NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
10121 | 1p94 | 5563 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
! Experimental NMR distance and angle constraints for the ! structure calculation of symmetric dimer of ParG using ARIA protocol ! (Nilges et al., 1997, J. Mol. Biol. 269, 408-422). ! ! ! NOTE - Numbering of residues in in this file is different from PDB entry ! chain A correspond to residues 1-76 in this file ! chain B correspond to residues 101-176 in this file ! ! Ambiguous distance restraints for the final run of ARIA calculations ! ASSI { 1} (( segid " " and resid 164 and name HN )) (( segid " " and resid 149 and name HZ )) 3.200 1.300 1.300 peak 1 spectrum 1 weight 0.11000E+01 volume 0.16395E-02 ppm1 8.940 ppm2 6.612 CV 1 OR { 1} (( segid " " and resid 64 and name HN )) (( segid " " and resid 49 and name HZ )) ASSI { 4} (( segid " " and resid 164 and name HN )) ( segid " " and resid 164 and name HG2%) 2.500 2.500 3.500 peak 4 spectrum 1 weight 0.11000E+01 volume 0.22766E-02 ppm1 8.938 ppm2 0.956 CV 1 OR { 4} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HG1%) ASSI { 5} (( segid " " and resid 64 and name HN )) ( segid " " and resid 139 and name HG1%) 6.000 4.600 0.000 peak 5 spectrum 1 weight 0.11000E+01 volume 0.19383E-03 ppm1 8.940 ppm2 0.773 CV 1 OR { 5} (( segid " " and resid 164 and name HN )) ( segid " " and resid 39 and name HG1%) ASSI { 8} (( segid " " and resid 164 and name HN )) (( segid " " and resid 141 and name HZ )) 6.000 6.000 0.000 peak 8 spectrum 1 weight 0.11000E+01 volume 0.52303E-04 ppm1 8.934 ppm2 6.887 CV 1 OR { 8} (( segid " " and resid 64 and name HN )) (( segid " " and resid 41 and name HZ )) ASSI { 13} (( segid " " and resid 64 and name HN )) ( segid " " and resid 63 and name HG2%) 3.200 1.300 1.300 peak 13 spectrum 1 weight 0.11000E+01 volume 0.16859E-02 ppm1 8.935 ppm2 0.838 CV 1 OR { 13} (( segid " " and resid 164 and name HN )) ( segid " " and resid 163 and name HG1%) ASSI { 15} (( segid " " and resid 164 and name HN )) ( segid " " and resid 167 and name HD2%) 5.000 3.100 1.000 peak 15 spectrum 1 weight 0.11000E+01 volume 0.30595E-03 ppm1 8.937 ppm2 0.568 CV 1 OR { 15} (( segid " " and resid 64 and name HN )) ( segid " " and resid 67 and name HD1%) ASSI { 18} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 3.300 1.300 1.300 peak 18 spectrum 1 weight 0.11000E+01 volume 0.15341E-02 ppm1 8.682 ppm2 4.169 CV 1 OR { 18} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HA )) OR { 18} (( segid " " and resid 68 and name HN )) (( segid " " and resid 167 and name HA )) ASSI { 30} (( segid " " and resid 168 and name HN )) ( segid " " and resid 164 and name HG1%) 4.600 2.700 1.400 peak 30 spectrum 1 weight 0.11000E+01 volume 0.24564E-03 ppm1 8.676 ppm2 1.132 CV 1 OR { 30} (( segid " " and resid 68 and name HN )) ( segid " " and resid 164 and name HG1%) ASSI { 36} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HB1 )) 3.000 1.200 1.200 peak 36 spectrum 1 weight 0.11000E+01 volume 0.23737E-02 ppm1 8.587 ppm2 1.923 CV 1 OR { 36} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB1 )) OR { 36} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB2 )) OR { 36} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HB2 )) OR { 36} (( segid " " and resid 67 and name HN )) (( segid " " and resid 167 and name HB2 )) ASSI { 37} (( segid " " and resid 67 and name HN )) (( segid " " and resid 63 and name HB )) 4.000 2.000 2.000 peak 37 spectrum 1 weight 0.11000E+01 volume 0.97053E-03 ppm1 8.587 ppm2 1.616 CV 1 OR { 37} (( segid " " and resid 167 and name HN )) (( segid " " and resid 163 and name HB )) ASSI { 41} (( segid " " and resid 167 and name HN )) (( segid " " and resid 71 and name HE3 )) 6.000 6.000 0.000 peak 41 spectrum 1 weight 0.11000E+01 volume 0.67398E-04 ppm1 8.571 ppm2 7.274 CV 1 OR { 41} (( segid " " and resid 67 and name HN )) (( segid " " and resid 171 and name HE3 )) ASSI { 54} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 3.400 1.400 1.400 peak 54 spectrum 1 weight 0.11000E+01 volume 0.11231E-02 ppm1 8.243 ppm2 4.429 CV 1 OR { 54} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HA )) ASSI { 56} (( segid " " and resid 63 and name HN )) ( segid " " and resid 63 and name HG2%) 2.300 2.300 3.700 peak 56 spectrum 1 weight 0.11000E+01 volume 0.48823E-02 ppm1 8.243 ppm2 0.837 CV 1 OR { 56} (( segid " " and resid 163 and name HN )) ( segid " " and resid 163 and name HG1%) ASSI { 62} (( segid " " and resid 163 and name HN )) ( segid " " and resid 158 and name HG2%) 3.900 1.900 1.900 peak 62 spectrum 1 weight 0.11000E+01 volume 0.61745E-03 ppm1 8.241 ppm2 1.172 CV 1 OR { 62} (( segid " " and resid 63 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 63} (( segid " " and resid 163 and name HN )) ( segid " " and resid 163 and name HG2%) 2.800 1.000 1.000 peak 63 spectrum 1 weight 0.11000E+01 volume 0.15642E-02 ppm1 8.242 ppm2 -0.194 CV 1 OR { 63} (( segid " " and resid 63 and name HN )) ( segid " " and resid 63 and name HG1%) ASSI { 65} (( segid " " and resid 146 and name HE1 )) (( segid " " and resid 146 and name HD2 )) 3.800 1.800 1.800 peak 65 spectrum 1 weight 0.11000E+01 volume 0.15761E-02 ppm1 7.701 ppm2 6.322 CV 1 OR { 65} (( segid " " and resid 46 and name HE1 )) (( segid " " and resid 46 and name HD2 )) ASSI { 67} (( segid " " and resid 46 and name HE1 )) (( segid " " and resid 46 and name HA )) 5.000 3.100 1.000 peak 67 spectrum 1 weight 0.11000E+01 volume 0.33992E-03 ppm1 7.700 ppm2 3.871 CV 1 OR { 67} (( segid " " and resid 146 and name HE1 )) (( segid " " and resid 146 and name HA )) ASSI { 68} (( segid " " and resid 46 and name HE1 )) (( segid " " and resid 47 and name HA )) 4.300 2.300 1.700 peak 68 spectrum 1 weight 0.11000E+01 volume 0.82463E-03 ppm1 7.699 ppm2 3.649 CV 1 OR { 68} (( segid " " and resid 146 and name HE1 )) (( segid " " and resid 147 and name HA )) ASSI { 69} (( segid " " and resid 46 and name HE1 )) (( segid " " and resid 50 and name HA )) 6.000 4.600 0.000 peak 69 spectrum 1 weight 0.11000E+01 volume 0.12955E-03 ppm1 7.701 ppm2 3.431 CV 1 OR { 69} (( segid " " and resid 146 and name HE1 )) (( segid " " and resid 150 and name HA )) ASSI { 70} (( segid " " and resid 46 and name HE1 )) (( segid " " and resid 50 and name HE1 )) 4.000 2.000 2.000 peak 70 spectrum 1 weight 0.11000E+01 volume 0.17587E-02 ppm1 7.699 ppm2 2.934 CV 1 OR { 70} (( segid " " and resid 146 and name HE1 )) (( segid " " and resid 146 and name HB2 )) OR { 70} (( segid " " and resid 46 and name HE1 )) (( segid " " and resid 46 and name HB2 )) ASSI { 72} (( segid " " and resid 46 and name HE1 )) (( segid " " and resid 50 and name HB2 )) 4.600 2.600 1.400 peak 72 spectrum 1 weight 0.11000E+01 volume 0.90106E-03 ppm1 7.701 ppm2 1.659 CV 1 OR { 72} (( segid " " and resid 146 and name HE1 )) (( segid " " and resid 150 and name HB2 )) OR { 72} (( segid " " and resid 146 and name HE1 )) (( segid " " and resid 160 and name HB )) ASSI { 73} (( segid " " and resid 46 and name HE1 )) (( segid " " and resid 50 and name HD1 )) 2.300 0.700 0.700 peak 73 spectrum 1 weight 0.11000E+01 volume 0.15212E-01 ppm1 7.700 ppm2 1.546 CV 1 OR { 73} (( segid " " and resid 46 and name HE1 )) (( segid " " and resid 50 and name HD2 )) OR { 73} (( segid " " and resid 146 and name HE1 )) (( segid " " and resid 35 and name HD1 )) ASSI { 74} (( segid " " and resid 46 and name HE1 )) (( segid " " and resid 135 and name HD1 )) 3.200 1.300 1.300 peak 74 spectrum 1 weight 0.11000E+01 volume 0.37971E-02 ppm1 7.700 ppm2 1.418 CV 1 OR { 74} (( segid " " and resid 146 and name HE1 )) (( segid " " and resid 35 and name HD2 )) OR { 74} (( segid " " and resid 46 and name HE1 )) (( segid " " and resid 50 and name HB1 )) ASSI { 75} (( segid " " and resid 46 and name HE1 )) (( segid " " and resid 50 and name HG1 )) 3.100 1.200 1.200 peak 75 spectrum 1 weight 0.11000E+01 volume 0.36371E-02 ppm1 7.700 ppm2 1.268 CV 1 OR { 75} (( segid " " and resid 146 and name HE1 )) (( segid " " and resid 150 and name HG1 )) OR { 75} (( segid " " and resid 46 and name HE1 )) (( segid " " and resid 50 and name HG2 )) OR { 75} (( segid " " and resid 146 and name HE1 )) (( segid " " and resid 150 and name HG2 )) ASSI { 77} (( segid " " and resid 46 and name HE1 )) ( segid " " and resid 137 and name HG1%) 4.600 2.600 1.400 peak 77 spectrum 1 weight 0.11000E+01 volume 0.10636E-02 ppm1 7.699 ppm2 0.829 CV 1 OR { 77} (( segid " " and resid 146 and name HE1 )) ( segid " " and resid 37 and name HG1%) ASSI { 78} (( segid " " and resid 146 and name HE1 )) ( segid " " and resid 37 and name HG2%) 3.900 1.900 1.900 peak 78 spectrum 1 weight 0.11000E+01 volume 0.19148E-02 ppm1 7.700 ppm2 0.657 CV 1 OR { 78} (( segid " " and resid 46 and name HE1 )) ( segid " " and resid 137 and name HG2%) OR { 78} (( segid " " and resid 146 and name HE1 )) ( segid " " and resid 160 and name HG2%) ASSI { 79} (( segid " " and resid 46 and name HE1 )) ( segid " " and resid 60 and name HD1%) 3.900 1.900 1.900 peak 79 spectrum 1 weight 0.11000E+01 volume 0.14169E-02 ppm1 7.700 ppm2 0.514 CV 1 OR { 79} (( segid " " and resid 146 and name HE1 )) ( segid " " and resid 160 and name HD1%) ASSI { 83} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 166 and name HG2 )) 6.000 5.100 0.000 peak 83 spectrum 1 weight 0.11000E+01 volume 0.57118E-04 ppm1 7.403 ppm2 2.572 CV 1 OR { 83} (( segid " " and resid 171 and name HD1 )) (( segid " " and resid 66 and name HG1 )) ASSI { 85} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HZ3 )) 6.000 5.700 0.000 peak 85 spectrum 1 weight 0.11000E+01 volume 0.56346E-04 ppm1 7.397 ppm2 7.131 CV 1 OR { 85} (( segid " " and resid 171 and name HD1 )) (( segid " " and resid 171 and name HZ3 )) ASSI { 86} (( segid " " and resid 171 and name HD1 )) ( segid " " and resid 49 and name HE% ) 5.600 5.600 0.400 peak 86 spectrum 1 weight 0.11000E+01 volume 0.24863E-03 ppm1 7.397 ppm2 6.505 CV 1 OR { 86} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 149 and name HE% ) ASSI { 87} (( segid " " and resid 171 and name HD1 )) (( segid " " and resid 171 and name HA )) 2.200 0.600 0.600 peak 87 spectrum 1 weight 0.11000E+01 volume 0.16498E-01 ppm1 7.397 ppm2 4.190 CV 1 OR { 87} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HA )) ASSI { 88} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 163 and name HA )) 4.100 2.200 1.900 peak 88 spectrum 1 weight 0.11000E+01 volume 0.97928E-03 ppm1 7.397 ppm2 3.512 CV 1 OR { 88} (( segid " " and resid 171 and name HD1 )) (( segid " " and resid 63 and name HA )) ASSI { 90} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 170 and name HB2 )) 4.600 2.600 1.400 peak 90 spectrum 1 weight 0.11000E+01 volume 0.26712E-03 ppm1 7.398 ppm2 3.086 CV 1 OR { 90} (( segid " " and resid 171 and name HD1 )) (( segid " " and resid 70 and name HB2 )) OR { 90} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 170 and name HB1 )) OR { 90} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 70 and name HB2 )) OR { 90} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 70 and name HB1 )) ASSI { 92} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 166 and name HB1 )) 4.000 2.000 2.000 peak 92 spectrum 1 weight 0.11000E+01 volume 0.42531E-03 ppm1 7.396 ppm2 2.290 CV 1 OR { 92} (( segid " " and resid 171 and name HD1 )) (( segid " " and resid 66 and name HB1 )) OR { 92} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 166 and name HB2 )) OR { 92} (( segid " " and resid 171 and name HD1 )) (( segid " " and resid 66 and name HB2 )) ASSI { 93} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 167 and name HG )) 3.100 3.100 2.900 peak 93 spectrum 1 weight 0.11000E+01 volume 0.45846E-02 ppm1 7.397 ppm2 2.022 CV 1 OR { 93} (( segid " " and resid 171 and name HD1 )) (( segid " " and resid 172 and name HG )) ASSI { 94} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 167 and name HB1 )) 3.400 1.400 1.400 peak 94 spectrum 1 weight 0.11000E+01 volume 0.29249E-02 ppm1 7.397 ppm2 1.929 CV 1 OR { 94} (( segid " " and resid 171 and name HD1 )) (( segid " " and resid 67 and name HB1 )) OR { 94} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 167 and name HB2 )) ASSI { 95} (( segid " " and resid 171 and name HD1 )) (( segid " " and resid 174 and name HB2 )) 4.100 2.200 1.900 peak 95 spectrum 1 weight 0.11000E+01 volume 0.10334E-02 ppm1 7.398 ppm2 1.787 CV 1 OR { 95} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 74 and name HB2 )) OR { 95} (( segid " " and resid 171 and name HD1 )) ( segid " " and resid 52 and name HB% ) OR { 95} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 152 and name HB% ) ASSI { 97} (( segid " " and resid 171 and name HD1 )) ( segid " " and resid 67 and name HD2%) 2.400 2.400 3.600 peak 97 spectrum 1 weight 0.11000E+01 volume 0.24907E-01 ppm1 7.397 ppm2 1.078 CV 1 OR { 97} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 167 and name HD1%) ASSI { 99} (( segid " " and resid 171 and name HD1 )) (( segid " " and resid 175 and name HB1 )) 3.400 1.500 1.500 peak 99 spectrum 1 weight 0.11000E+01 volume 0.11450E-02 ppm1 7.397 ppm2 0.839 CV 1 OR { 99} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 75 and name HB1 )) OR { 99} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 163 and name HG1%) ASSI { 101} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 68 and name HG1%) 5.300 5.300 0.700 peak 101 spectrum 1 weight 0.11000E+01 volume 0.37310E-03 ppm1 7.398 ppm2 0.055 CV 1 OR { 101} (( segid " " and resid 171 and name HD1 )) ( segid " " and resid 168 and name HG1%) ASSI { 105} ( segid " " and resid 115 and name HD% ) ( segid " " and resid 115 and name HE% ) 2.400 0.700 0.700 peak 105 spectrum 1 weight 0.11000E+01 volume 0.74993E-02 ppm1 7.352 ppm2 7.276 CV 1 OR { 105} ( segid " " and resid 15 and name HD% ) ( segid " " and resid 15 and name HE% ) ASSI { 106} (( segid " " and resid 15 and name HZ )) ( segid " " and resid 15 and name HE% ) 4.400 2.400 1.600 peak 106 spectrum 1 weight 0.11000E+01 volume 0.23095E-03 ppm1 7.335 ppm2 7.238 CV 1 OR { 106} (( segid " " and resid 115 and name HZ )) ( segid " " and resid 115 and name HE% ) ASSI { 107} (( segid " " and resid 115 and name HZ )) ( segid " " and resid 115 and name HD% ) 6.000 5.700 0.000 peak 107 spectrum 1 weight 0.11000E+01 volume 0.78485E-04 ppm1 7.329 ppm2 7.407 CV 1 OR { 107} (( segid " " and resid 15 and name HZ )) ( segid " " and resid 15 and name HD% ) ASSI { 109} ( segid " " and resid 141 and name HD% ) (( segid " " and resid 35 and name HB2 )) 3.200 3.200 2.800 peak 109 spectrum 1 weight 0.11000E+01 volume 0.30117E-02 ppm1 7.326 ppm2 1.498 CV 1 OR { 109} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 135 and name HB2 )) OR { 109} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 135 and name HB1 )) ASSI { 110} ( segid " " and resid 141 and name HD% ) (( segid " " and resid 35 and name HG2 )) 4.000 4.000 2.000 peak 110 spectrum 1 weight 0.11000E+01 volume 0.23733E-02 ppm1 7.326 ppm2 0.957 CV 1 OR { 110} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 135 and name HG2 )) ASSI { 112} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 46 and name HD2 )) 2.500 2.500 3.500 peak 112 spectrum 1 weight 0.11000E+01 volume 0.41315E-02 ppm1 7.324 ppm2 6.322 CV 1 OR { 112} ( segid " " and resid 141 and name HD% ) (( segid " " and resid 146 and name HD2 )) ASSI { 114} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 41 and name HA )) 2.100 0.500 0.500 peak 114 spectrum 1 weight 0.11000E+01 volume 0.96081E-02 ppm1 7.323 ppm2 5.123 CV 1 OR { 114} ( segid " " and resid 141 and name HD% ) (( segid " " and resid 141 and name HA )) ASSI { 115} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 137 and name HA )) 4.500 2.500 1.500 peak 115 spectrum 1 weight 0.11000E+01 volume 0.17544E-02 ppm1 7.323 ppm2 4.141 CV 1 OR { 115} ( segid " " and resid 141 and name HD% ) (( segid " " and resid 37 and name HA )) ASSI { 116} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 41 and name HB2 )) 2.100 0.600 0.600 peak 116 spectrum 1 weight 0.11000E+01 volume 0.90426E-02 ppm1 7.323 ppm2 3.243 CV 1 OR { 116} ( segid " " and resid 141 and name HD% ) (( segid " " and resid 141 and name HB1 )) ASSI { 117} ( segid " " and resid 141 and name HD% ) (( segid " " and resid 146 and name HB2 )) 3.400 3.400 2.600 peak 117 spectrum 1 weight 0.11000E+01 volume 0.19110E-02 ppm1 7.324 ppm2 2.962 CV 1 OR { 117} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 46 and name HB2 )) ASSI { 120} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 45 and name HB1 )) 3.400 1.400 1.400 peak 120 spectrum 1 weight 0.11000E+01 volume 0.30992E-02 ppm1 7.321 ppm2 2.011 CV 1 OR { 120} ( segid " " and resid 141 and name HD% ) (( segid " " and resid 145 and name HB1 )) OR { 120} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 45 and name HB2 )) OR { 120} ( segid " " and resid 141 and name HD% ) (( segid " " and resid 145 and name HB2 )) ASSI { 121} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 45 and name HG1 )) 3.500 1.500 1.500 peak 121 spectrum 1 weight 0.11000E+01 volume 0.35387E-02 ppm1 7.322 ppm2 1.431 CV 1 OR { 121} ( segid " " and resid 141 and name HD% ) (( segid " " and resid 145 and name HG1 )) OR { 121} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 45 and name HG2 )) OR { 121} ( segid " " and resid 141 and name HD% ) (( segid " " and resid 145 and name HG2 )) ASSI { 122} ( segid " " and resid 41 and name HD% ) ( segid " " and resid 161 and name HG2%) 6.000 6.000 0.000 peak 122 spectrum 1 weight 0.11000E+01 volume 0.64218E-04 ppm1 7.321 ppm2 1.268 CV 1 OR { 122} ( segid " " and resid 41 and name HD% ) ( segid " " and resid 61 and name HG2%) OR { 122} ( segid " " and resid 141 and name HD% ) ( segid " " and resid 161 and name HG2%) ASSI { 123} ( segid " " and resid 41 and name HD% ) ( segid " " and resid 137 and name HG2%) 1.900 1.900 4.100 peak 123 spectrum 1 weight 0.11000E+01 volume 0.17891E-01 ppm1 7.324 ppm2 0.658 CV 1 OR { 123} ( segid " " and resid 141 and name HD% ) ( segid " " and resid 37 and name HG2%) ASSI { 124} ( segid " " and resid 41 and name HD% ) ( segid " " and resid 139 and name HG2%) 3.300 3.300 2.700 peak 124 spectrum 1 weight 0.11000E+01 volume 0.59068E-02 ppm1 7.325 ppm2 0.475 CV 1 OR { 124} ( segid " " and resid 141 and name HD% ) ( segid " " and resid 139 and name HG2%) OR { 124} ( segid " " and resid 41 and name HD% ) ( segid " " and resid 39 and name HG2%) OR { 124} ( segid " " and resid 141 and name HD% ) ( segid " " and resid 39 and name HG2%) ASSI { 125} ( segid " " and resid 141 and name HD% ) ( segid " " and resid 68 and name HG1%) 2.900 2.900 3.100 peak 125 spectrum 1 weight 0.11000E+01 volume 0.26890E-02 ppm1 7.323 ppm2 0.056 CV 1 OR { 125} ( segid " " and resid 41 and name HD% ) ( segid " " and resid 168 and name HG1%) ASSI { 126} ( segid " " and resid 141 and name HD% ) ( segid " " and resid 149 and name HE% ) 3.200 3.200 2.800 peak 126 spectrum 1 weight 0.11000E+01 volume 0.23370E-02 ppm1 7.318 ppm2 6.510 CV 1 OR { 126} ( segid " " and resid 41 and name HD% ) ( segid " " and resid 49 and name HE% ) ASSI { 129} (( segid " " and resid 71 and name HZ2 )) (( segid " " and resid 153 and name HA )) 3.100 1.200 1.200 peak 129 spectrum 1 weight 0.11000E+01 volume 0.44454E-02 ppm1 7.314 ppm2 3.975 CV 1 OR { 129} (( segid " " and resid 171 and name HZ2 )) (( segid " " and resid 53 and name HA )) OR { 129} ( segid " " and resid 141 and name HD% ) (( segid " " and resid 145 and name HA )) OR { 129} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 45 and name HA )) ASSI { 130} ( segid " " and resid 141 and name HD% ) (( segid " " and resid 146 and name HA )) 3.000 3.000 3.000 peak 130 spectrum 1 weight 0.11000E+01 volume 0.33247E-02 ppm1 7.319 ppm2 3.873 CV 1 OR { 130} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 46 and name HA )) ASSI { 131} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 64 and name HA )) 4.000 2.000 2.000 peak 131 spectrum 1 weight 0.11000E+01 volume 0.14827E-02 ppm1 7.319 ppm2 3.375 CV 1 OR { 131} ( segid " " and resid 141 and name HD% ) (( segid " " and resid 164 and name HA )) OR { 131} ( segid " " and resid 141 and name HD% ) (( segid " " and resid 64 and name HA )) OR { 131} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 164 and name HA )) ASSI { 132} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 45 and name HE2 )) 3.000 1.100 1.100 peak 132 spectrum 1 weight 0.11000E+01 volume 0.35745E-02 ppm1 7.315 ppm2 3.152 CV 1 OR { 132} ( segid " " and resid 141 and name HD% ) (( segid " " and resid 145 and name HE1 )) ASSI { 133} (( segid " " and resid 115 and name HZ )) (( segid " " and resid 117 and name HB2 )) 2.200 2.200 3.800 peak 133 spectrum 1 weight 0.11000E+01 volume 0.25526E-02 ppm1 7.315 ppm2 1.934 CV 1 OR { 133} (( segid " " and resid 15 and name HZ )) (( segid " " and resid 17 and name HB2 )) OR { 133} (( segid " " and resid 115 and name HZ )) (( segid " " and resid 117 and name HB1 )) OR { 133} (( segid " " and resid 15 and name HZ )) (( segid " " and resid 17 and name HB1 )) ASSI { 134} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 45 and name HD1 )) 2.200 0.600 0.600 peak 134 spectrum 1 weight 0.11000E+01 volume 0.15647E-01 ppm1 7.318 ppm2 1.815 CV 1 OR { 134} ( segid " " and resid 141 and name HD% ) (( segid " " and resid 145 and name HD1 )) OR { 134} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 45 and name HD2 )) OR { 134} ( segid " " and resid 141 and name HD% ) (( segid " " and resid 145 and name HD2 )) OR { 134} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 39 and name HB )) ASSI { 136} ( segid " " and resid 141 and name HD% ) ( segid " " and resid 139 and name HG1%) 2.600 2.600 3.400 peak 136 spectrum 1 weight 0.11000E+01 volume 0.46994E-02 ppm1 7.319 ppm2 0.774 CV 1 OR { 136} ( segid " " and resid 41 and name HD% ) ( segid " " and resid 39 and name HG1%) ASSI { 137} (( segid " " and resid 71 and name HZ2 )) (( segid " " and resid 71 and name HZ3 )) 3.400 1.500 1.500 peak 137 spectrum 1 weight 0.11000E+01 volume 0.35452E-02 ppm1 7.309 ppm2 7.129 CV 1 OR { 137} (( segid " " and resid 171 and name HZ2 )) (( segid " " and resid 171 and name HZ3 )) ASSI { 138} (( segid " " and resid 171 and name HZ2 )) (( segid " " and resid 171 and name HH2 )) 1.800 0.400 0.400 peak 138 spectrum 1 weight 0.11000E+01 volume 0.27261E-01 ppm1 7.308 ppm2 6.800 CV 1 OR { 138} (( segid " " and resid 71 and name HZ2 )) (( segid " " and resid 71 and name HH2 )) ASSI { 139} (( segid " " and resid 71 and name HZ2 )) (( segid " " and resid 75 and name HA )) 5.400 3.600 0.600 peak 139 spectrum 1 weight 0.11000E+01 volume 0.28900E-03 ppm1 7.306 ppm2 4.555 CV 1 OR { 139} (( segid " " and resid 171 and name HZ2 )) (( segid " " and resid 175 and name HA )) ASSI { 142} (( segid " " and resid 71 and name HZ2 )) (( segid " " and resid 156 and name HB2 )) 3.100 1.200 1.200 peak 142 spectrum 1 weight 0.11000E+01 volume 0.28259E-02 ppm1 7.306 ppm2 1.934 CV 1 OR { 142} (( segid " " and resid 171 and name HZ2 )) (( segid " " and resid 56 and name HB1 )) ASSI { 143} (( segid " " and resid 71 and name HZ2 )) (( segid " " and resid 75 and name HB2 )) 2.400 2.400 3.600 peak 143 spectrum 1 weight 0.11000E+01 volume 0.94619E-02 ppm1 7.305 ppm2 1.689 CV 1 OR { 143} (( segid " " and resid 171 and name HZ2 )) (( segid " " and resid 175 and name HB2 )) ASSI { 145} (( segid " " and resid 171 and name HZ2 )) ( segid " " and resid 67 and name HD2%) 3.500 3.500 2.500 peak 145 spectrum 1 weight 0.11000E+01 volume 0.13747E-02 ppm1 7.306 ppm2 1.066 CV 1 OR { 145} (( segid " " and resid 71 and name HZ2 )) ( segid " " and resid 167 and name HD1%) ASSI { 147} (( segid " " and resid 171 and name HZ2 )) (( segid " " and resid 171 and name HD1 )) 4.200 2.200 1.800 peak 147 spectrum 1 weight 0.11000E+01 volume 0.13370E-02 ppm1 7.298 ppm2 7.394 CV 1 OR { 147} (( segid " " and resid 71 and name HZ2 )) (( segid " " and resid 71 and name HD1 )) ASSI { 149} (( segid " " and resid 71 and name HZ2 )) (( segid " " and resid 163 and name HA )) 4.700 2.800 1.300 peak 149 spectrum 1 weight 0.11000E+01 volume 0.24885E-03 ppm1 7.301 ppm2 3.521 CV 1 OR { 149} (( segid " " and resid 171 and name HZ2 )) (( segid " " and resid 63 and name HA )) ASSI { 154} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 169 and name HA )) 6.000 6.000 0.000 peak 154 spectrum 1 weight 0.11000E+01 volume 0.52044E-04 ppm1 7.271 ppm2 4.386 CV 1 OR { 154} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 69 and name HA )) ASSI { 159} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 149 and name HZ )) 5.000 3.100 1.000 peak 159 spectrum 1 weight 0.11000E+01 volume 0.34735E-03 ppm1 7.264 ppm2 6.615 CV 1 OR { 159} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 49 and name HZ )) ASSI { 161} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 163 and name HA )) 5.200 3.400 0.800 peak 161 spectrum 1 weight 0.11000E+01 volume 0.21299E-03 ppm1 7.265 ppm2 3.518 CV 1 OR { 161} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 63 and name HA )) ASSI { 162} (( segid " " and resid 171 and name HE3 )) ( segid " " and resid 172 and name HD1%) 2.900 2.900 3.100 peak 162 spectrum 1 weight 0.11000E+01 volume 0.42355E-02 ppm1 7.263 ppm2 0.877 CV 1 OR { 162} (( segid " " and resid 71 and name HE3 )) ( segid " " and resid 72 and name HD1%) ASSI { 163} (( segid " " and resid 71 and name HE3 )) ( segid " " and resid 68 and name HG1%) 3.300 3.300 2.700 peak 163 spectrum 1 weight 0.11000E+01 volume 0.26406E-02 ppm1 7.264 ppm2 0.052 CV 1 OR { 163} (( segid " " and resid 171 and name HE3 )) ( segid " " and resid 168 and name HG1%) ASSI { 164} (( segid " " and resid 171 and name HE3 )) ( segid " " and resid 63 and name HG1%) 3.300 1.400 1.400 peak 164 spectrum 1 weight 0.11000E+01 volume 0.16072E-02 ppm1 7.264 ppm2 -0.192 CV 1 OR { 164} (( segid " " and resid 71 and name HE3 )) ( segid " " and resid 163 and name HG2%) ASSI { 165} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 71 and name HD1 )) 4.300 2.400 1.700 peak 165 spectrum 1 weight 0.11000E+01 volume 0.63266E-03 ppm1 7.260 ppm2 7.405 CV 1 OR { 165} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 171 and name HD1 )) ASSI { 166} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 71 and name HZ3 )) 2.100 0.500 0.500 peak 166 spectrum 1 weight 0.11000E+01 volume 0.85405E-02 ppm1 7.261 ppm2 7.134 CV 1 OR { 166} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 171 and name HZ3 )) ASSI { 167} (( segid " " and resid 71 and name HE3 )) ( segid " " and resid 149 and name HD% ) 2.800 2.800 3.200 peak 167 spectrum 1 weight 0.11000E+01 volume 0.41315E-02 ppm1 7.260 ppm2 6.963 CV 1 OR { 167} (( segid " " and resid 171 and name HE3 )) ( segid " " and resid 49 and name HD% ) ASSI { 168} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 71 and name HH2 )) 3.500 1.500 1.500 peak 168 spectrum 1 weight 0.11000E+01 volume 0.25260E-02 ppm1 7.262 ppm2 6.801 CV 1 OR { 168} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 171 and name HH2 )) ASSI { 170} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 149 and name HA )) 3.900 1.900 1.900 peak 170 spectrum 1 weight 0.11000E+01 volume 0.14520E-02 ppm1 7.262 ppm2 4.884 CV 1 OR { 170} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 49 and name HA )) ASSI { 171} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 171 and name HA )) 3.400 1.400 1.400 peak 171 spectrum 1 weight 0.11000E+01 volume 0.25292E-02 ppm1 7.261 ppm2 4.192 CV 1 OR { 171} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 71 and name HA )) ASSI { 172} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 172 and name HA )) 2.100 0.500 0.500 peak 172 spectrum 1 weight 0.11000E+01 volume 0.75067E-02 ppm1 7.262 ppm2 3.873 CV 1 OR { 172} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 72 and name HA )) ASSI { 173} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 71 and name HB1 )) 2.100 0.500 0.500 peak 173 spectrum 1 weight 0.11000E+01 volume 0.93386E-02 ppm1 7.261 ppm2 3.350 CV 1 OR { 173} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 171 and name HB1 )) OR { 173} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 71 and name HB2 )) OR { 173} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 171 and name HB2 )) ASSI { 175} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 45 and name HE2 )) 6.000 4.500 0.000 peak 175 spectrum 1 weight 0.11000E+01 volume 0.00000E+00 ppm1 7.262 ppm2 3.172 CV 1 OR { 175} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 145 and name HE1 )) ASSI { 176} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 172 and name HB1 )) 3.800 1.800 1.800 peak 176 spectrum 1 weight 0.11000E+01 volume 0.23497E-02 ppm1 7.261 ppm2 2.091 CV 1 OR { 176} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 72 and name HB1 )) ASSI { 177} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 172 and name HG )) 2.600 0.800 0.800 peak 177 spectrum 1 weight 0.11000E+01 volume 0.89211E-02 ppm1 7.262 ppm2 2.007 CV 1 OR { 177} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 72 and name HG )) ASSI { 178} (( segid " " and resid 71 and name HE3 )) ( segid " " and resid 152 and name HB% ) 3.400 1.400 1.400 peak 178 spectrum 1 weight 0.11000E+01 volume 0.50150E-02 ppm1 7.261 ppm2 1.822 CV 1 OR { 178} (( segid " " and resid 171 and name HE3 )) ( segid " " and resid 52 and name HB% ) ASSI { 179} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 173 and name HG1 )) 4.600 2.600 1.400 peak 179 spectrum 1 weight 0.11000E+01 volume 0.91275E-03 ppm1 7.261 ppm2 1.682 CV 1 OR { 179} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 73 and name HG1 )) ASSI { 180} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 172 and name HB2 )) 2.800 1.000 1.000 peak 180 spectrum 1 weight 0.11000E+01 volume 0.16975E-02 ppm1 7.261 ppm2 1.574 CV 1 OR { 180} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 72 and name HB2 )) ASSI { 181} (( segid " " and resid 171 and name HE3 )) ( segid " " and resid 67 and name HD2%) 2.400 2.400 3.600 peak 181 spectrum 1 weight 0.11000E+01 volume 0.10724E-01 ppm1 7.263 ppm2 1.061 CV 1 OR { 181} (( segid " " and resid 171 and name HE3 )) ( segid " " and resid 172 and name HD2%) OR { 181} (( segid " " and resid 71 and name HE3 )) ( segid " " and resid 72 and name HD2%) ASSI { 182} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 175 and name HB1 )) 3.900 1.900 1.900 peak 182 spectrum 1 weight 0.11000E+01 volume 0.71479E-03 ppm1 7.261 ppm2 0.769 CV 1 OR { 182} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 75 and name HB1 )) ASSI { 183} (( segid " " and resid 71 and name HE3 )) ( segid " " and resid 68 and name HG2%) 3.600 1.600 1.600 peak 183 spectrum 1 weight 0.11000E+01 volume 0.15540E-02 ppm1 7.262 ppm2 0.616 CV 1 OR { 183} (( segid " " and resid 171 and name HE3 )) ( segid " " and resid 168 and name HG2%) ASSI { 185} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 71 and name HZ2 )) 3.700 1.700 1.700 peak 185 spectrum 1 weight 0.11000E+01 volume 0.12725E-02 ppm1 7.246 ppm2 7.334 CV 1 OR { 185} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 171 and name HZ2 )) ASSI { 188} (( segid " " and resid 171 and name HZ3 )) ( segid " " and resid 49 and name HD% ) 2.200 2.200 3.800 peak 188 spectrum 1 weight 0.11000E+01 volume 0.73793E-02 ppm1 7.132 ppm2 6.961 CV 1 OR { 188} (( segid " " and resid 71 and name HZ3 )) ( segid " " and resid 149 and name HD% ) ASSI { 189} (( segid " " and resid 71 and name HZ3 )) (( segid " " and resid 71 and name HH2 )) 2.000 0.500 0.500 peak 189 spectrum 1 weight 0.11000E+01 volume 0.12398E-01 ppm1 7.132 ppm2 6.800 CV 1 OR { 189} (( segid " " and resid 171 and name HZ3 )) (( segid " " and resid 171 and name HH2 )) ASSI { 190} (( segid " " and resid 171 and name HZ3 )) ( segid " " and resid 49 and name HE% ) 2.600 2.600 3.400 peak 190 spectrum 1 weight 0.11000E+01 volume 0.43509E-02 ppm1 7.132 ppm2 6.506 CV 1 OR { 190} (( segid " " and resid 71 and name HZ3 )) ( segid " " and resid 149 and name HE% ) ASSI { 191} (( segid " " and resid 171 and name HZ3 )) (( segid " " and resid 49 and name HA )) 2.700 0.900 0.900 peak 191 spectrum 1 weight 0.11000E+01 volume 0.30824E-02 ppm1 7.133 ppm2 4.889 CV 1 OR { 191} (( segid " " and resid 71 and name HZ3 )) (( segid " " and resid 149 and name HA )) ASSI { 192} (( segid " " and resid 171 and name HZ3 )) (( segid " " and resid 172 and name HA )) 2.800 0.900 0.900 peak 192 spectrum 1 weight 0.11000E+01 volume 0.36109E-02 ppm1 7.132 ppm2 3.877 CV 1 OR { 192} (( segid " " and resid 71 and name HZ3 )) (( segid " " and resid 72 and name HA )) ASSI { 193} (( segid " " and resid 71 and name HZ3 )) (( segid " " and resid 148 and name HD2 )) 4.400 2.400 1.600 peak 193 spectrum 1 weight 0.11000E+01 volume 0.59402E-03 ppm1 7.133 ppm2 3.369 CV 1 OR { 193} (( segid " " and resid 171 and name HZ3 )) (( segid " " and resid 48 and name HD1 )) ASSI { 194} (( segid " " and resid 171 and name HZ3 )) (( segid " " and resid 48 and name HD2 )) 4.400 2.500 1.600 peak 194 spectrum 1 weight 0.11000E+01 volume 0.53307E-03 ppm1 7.133 ppm2 3.250 CV 1 OR { 194} (( segid " " and resid 71 and name HZ3 )) (( segid " " and resid 148 and name HD1 )) ASSI { 198} (( segid " " and resid 171 and name HZ3 )) (( segid " " and resid 172 and name HB2 )) 6.000 4.800 0.000 peak 198 spectrum 1 weight 0.11000E+01 volume 0.53081E-04 ppm1 7.136 ppm2 1.560 CV 1 OR { 198} (( segid " " and resid 71 and name HZ3 )) (( segid " " and resid 72 and name HB2 )) ASSI { 199} (( segid " " and resid 171 and name HZ3 )) ( segid " " and resid 63 and name HG1%) 4.100 2.100 1.900 peak 199 spectrum 1 weight 0.11000E+01 volume 0.33708E-03 ppm1 7.133 ppm2 -0.195 CV 1 OR { 199} (( segid " " and resid 71 and name HZ3 )) ( segid " " and resid 163 and name HG2%) ASSI { 201} (( segid " " and resid 71 and name HZ3 )) (( segid " " and resid 152 and name HA )) 4.400 2.400 1.600 peak 201 spectrum 1 weight 0.11000E+01 volume 0.16637E-02 ppm1 7.130 ppm2 4.308 CV 1 OR { 201} (( segid " " and resid 171 and name HZ3 )) (( segid " " and resid 52 and name HA )) ASSI { 202} (( segid " " and resid 71 and name HZ3 )) (( segid " " and resid 153 and name HA )) 4.300 2.300 1.700 peak 202 spectrum 1 weight 0.11000E+01 volume 0.74503E-03 ppm1 7.129 ppm2 3.978 CV 1 OR { 202} (( segid " " and resid 171 and name HZ3 )) (( segid " " and resid 53 and name HA )) ASSI { 203} (( segid " " and resid 71 and name HZ3 )) (( segid " " and resid 71 and name HB1 )) 5.000 3.100 1.000 peak 203 spectrum 1 weight 0.11000E+01 volume 0.45949E-03 ppm1 7.130 ppm2 3.324 CV 1 OR { 203} (( segid " " and resid 171 and name HZ3 )) (( segid " " and resid 171 and name HB1 )) OR { 203} (( segid " " and resid 71 and name HZ3 )) (( segid " " and resid 71 and name HB2 )) ASSI { 204} (( segid " " and resid 171 and name HZ3 )) (( segid " " and resid 172 and name HG )) 2.700 0.900 0.900 peak 204 spectrum 1 weight 0.11000E+01 volume 0.35963E-02 ppm1 7.130 ppm2 2.008 CV 1 OR { 204} (( segid " " and resid 71 and name HZ3 )) (( segid " " and resid 72 and name HG )) ASSI { 207} (( segid " " and resid 171 and name HZ3 )) ( segid " " and resid 172 and name HD2%) 2.800 2.800 3.200 peak 207 spectrum 1 weight 0.11000E+01 volume 0.91025E-02 ppm1 7.131 ppm2 1.060 CV 1 OR { 207} (( segid " " and resid 71 and name HZ3 )) ( segid " " and resid 72 and name HD2%) ASSI { 208} (( segid " " and resid 171 and name HZ3 )) ( segid " " and resid 172 and name HD1%) 3.100 1.200 1.200 peak 208 spectrum 1 weight 0.11000E+01 volume 0.23516E-02 ppm1 7.130 ppm2 0.871 CV 1 OR { 208} (( segid " " and resid 71 and name HZ3 )) ( segid " " and resid 72 and name HD1%) ASSI { 209} (( segid " " and resid 71 and name HZ3 )) ( segid " " and resid 68 and name HG1%) 5.500 3.800 0.500 peak 209 spectrum 1 weight 0.11000E+01 volume 0.17958E-03 ppm1 7.129 ppm2 0.057 CV 1 OR { 209} (( segid " " and resid 171 and name HZ3 )) ( segid " " and resid 168 and name HG1%) ASSI { 213} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 171 and name HH2 )) 3.600 3.600 2.400 peak 213 spectrum 1 weight 0.11000E+01 volume 0.22944E-02 ppm1 6.961 ppm2 6.798 CV 1 OR { 213} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 71 and name HH2 )) ASSI { 214} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 149 and name HZ )) 2.800 1.000 1.000 peak 214 spectrum 1 weight 0.11000E+01 volume 0.66810E-02 ppm1 6.963 ppm2 6.613 CV 1 OR { 214} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 49 and name HZ )) ASSI { 215} ( segid " " and resid 149 and name HD% ) ( segid " " and resid 149 and name HE% ) 1.600 0.300 0.600 peak 215 spectrum 1 weight 0.11000E+01 volume 0.30422E-01 ppm1 6.961 ppm2 6.507 CV 1 OR { 215} ( segid " " and resid 49 and name HD% ) ( segid " " and resid 49 and name HE% ) ASSI { 216} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 49 and name HA )) 1.700 1.700 4.300 peak 216 spectrum 1 weight 0.11000E+01 volume 0.19624E-01 ppm1 6.961 ppm2 4.888 CV 1 OR { 216} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 149 and name HA )) ASSI { 217} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 48 and name HA )) 4.400 4.400 1.600 peak 217 spectrum 1 weight 0.11000E+01 volume 0.76514E-03 ppm1 6.962 ppm2 4.155 CV 1 OR { 217} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 148 and name HA )) ASSI { 218} ( segid " " and resid 49 and name HD% ) ( segid " " and resid 67 and name HD2%) 2.700 2.700 3.300 peak 218 spectrum 1 weight 0.11000E+01 volume 0.12337E-01 ppm1 6.961 ppm2 1.060 CV 1 OR { 218} ( segid " " and resid 149 and name HD% ) ( segid " " and resid 167 and name HD1%) ASSI { 219} ( segid " " and resid 149 and name HD% ) ( segid " " and resid 163 and name HG2%) 2.700 2.700 3.300 peak 219 spectrum 1 weight 0.11000E+01 volume 0.66417E-02 ppm1 6.963 ppm2 -0.197 CV 1 OR { 219} ( segid " " and resid 49 and name HD% ) ( segid " " and resid 63 and name HG1%) ASSI { 220} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 146 and name HD2 )) 2.700 2.700 3.300 peak 220 spectrum 1 weight 0.11000E+01 volume 0.41107E-02 ppm1 6.956 ppm2 6.324 CV 1 OR { 220} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 46 and name HD2 )) ASSI { 221} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 52 and name HA )) 6.000 6.000 0.000 peak 221 spectrum 1 weight 0.11000E+01 volume 0.57135E-04 ppm1 6.960 ppm2 4.312 CV 1 OR { 221} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 152 and name HA )) ASSI { 223} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 164 and name HA )) 3.100 3.100 2.900 peak 223 spectrum 1 weight 0.11000E+01 volume 0.58648E-02 ppm1 6.957 ppm2 3.383 CV 1 OR { 223} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 64 and name HA )) OR { 223} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 48 and name HD1 )) ASSI { 227} ( segid " " and resid 141 and name HE% ) (( segid " " and resid 141 and name HB2 )) 3.600 1.600 1.600 peak 227 spectrum 1 weight 0.11000E+01 volume 0.21507E-02 ppm1 6.957 ppm2 2.814 CV 1 OR { 227} ( segid " " and resid 41 and name HE% ) (( segid " " and resid 41 and name HB1 )) ASSI { 228} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 48 and name HB1 )) 3.000 3.000 3.000 peak 228 spectrum 1 weight 0.11000E+01 volume 0.31576E-02 ppm1 6.958 ppm2 2.105 CV 1 OR { 228} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 164 and name HB )) OR { 228} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 64 and name HB )) ASSI { 229} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 45 and name HB1 )) 2.600 2.600 3.400 peak 229 spectrum 1 weight 0.11000E+01 volume 0.62893E-02 ppm1 6.959 ppm2 2.009 CV 1 OR { 229} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 45 and name HB2 )) OR { 229} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 167 and name HG )) OR { 229} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 67 and name HG )) ASSI { 230} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 148 and name HB1 )) 2.800 2.800 3.200 peak 230 spectrum 1 weight 0.11000E+01 volume 0.57397E-02 ppm1 6.958 ppm2 1.928 CV 1 OR { 230} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 48 and name HB2 )) ASSI { 231} ( segid " " and resid 49 and name HD% ) ( segid " " and resid 52 and name HB% ) 2.400 2.400 3.600 peak 231 spectrum 1 weight 0.11000E+01 volume 0.20040E-01 ppm1 6.958 ppm2 1.816 CV 1 OR { 231} ( segid " " and resid 149 and name HD% ) ( segid " " and resid 152 and name HB% ) ASSI { 232} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 63 and name HB )) 3.300 1.300 1.300 peak 232 spectrum 1 weight 0.11000E+01 volume 0.42014E-02 ppm1 6.959 ppm2 1.647 CV 1 OR { 232} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 60 and name HB )) OR { 232} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 160 and name HB )) ASSI { 233} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 50 and name HD2 )) 3.400 3.400 2.600 peak 233 spectrum 1 weight 0.11000E+01 volume 0.23040E-02 ppm1 6.959 ppm2 1.552 CV 1 OR { 233} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 150 and name HD2 )) OR { 233} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 50 and name HD1 )) OR { 233} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 150 and name HD1 )) ASSI { 235} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 160 and name HG12)) 3.300 1.400 1.400 peak 235 spectrum 1 weight 0.11000E+01 volume 0.27857E-02 ppm1 6.960 ppm2 1.268 CV 1 OR { 235} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 60 and name HG12)) ASSI { 236} ( segid " " and resid 49 and name HD% ) ( segid " " and resid 64 and name HG2%) 3.000 3.000 3.000 peak 236 spectrum 1 weight 0.11000E+01 volume 0.77507E-02 ppm1 6.957 ppm2 1.145 CV 1 OR { 236} ( segid " " and resid 149 and name HD% ) ( segid " " and resid 164 and name HG1%) ASSI { 239} ( segid " " and resid 41 and name HE% ) ( segid " " and resid 139 and name HG2%) 2.600 2.600 3.400 peak 239 spectrum 1 weight 0.11000E+01 volume 0.14939E-01 ppm1 6.956 ppm2 0.486 CV 1 OR { 239} ( segid " " and resid 141 and name HE% ) ( segid " " and resid 39 and name HG2%) OR { 239} ( segid " " and resid 41 and name HE% ) ( segid " " and resid 39 and name HG2%) OR { 239} ( segid " " and resid 141 and name HE% ) ( segid " " and resid 139 and name HG2%) ASSI { 240} ( segid " " and resid 149 and name HD% ) ( segid " " and resid 68 and name HG1%) 2.400 2.400 3.600 peak 240 spectrum 1 weight 0.11000E+01 volume 0.13721E-01 ppm1 6.957 ppm2 0.055 CV 1 OR { 240} ( segid " " and resid 49 and name HD% ) ( segid " " and resid 168 and name HG1%) ASSI { 243} ( segid " " and resid 41 and name HE% ) (( segid " " and resid 137 and name HA )) 5.000 5.000 1.000 peak 243 spectrum 1 weight 0.11000E+01 volume 0.82748E-03 ppm1 6.954 ppm2 4.140 CV 1 OR { 243} ( segid " " and resid 141 and name HE% ) (( segid " " and resid 37 and name HA )) ASSI { 244} ( segid " " and resid 41 and name HE% ) (( segid " " and resid 39 and name HA )) 3.600 3.600 2.400 peak 244 spectrum 1 weight 0.11000E+01 volume 0.25089E-02 ppm1 6.954 ppm2 3.970 CV 1 OR { 244} ( segid " " and resid 41 and name HE% ) (( segid " " and resid 139 and name HA )) ASSI { 245} ( segid " " and resid 41 and name HE% ) (( segid " " and resid 137 and name HB )) 2.200 2.200 3.800 peak 245 spectrum 1 weight 0.11000E+01 volume 0.85740E-02 ppm1 6.952 ppm2 2.210 CV 1 OR { 245} ( segid " " and resid 141 and name HE% ) (( segid " " and resid 37 and name HB )) ASSI { 246} ( segid " " and resid 141 and name HE% ) ( segid " " and resid 64 and name HG1%) 2.200 2.200 3.800 peak 246 spectrum 1 weight 0.11000E+01 volume 0.10323E-01 ppm1 6.952 ppm2 0.956 CV 1 OR { 246} ( segid " " and resid 141 and name HE% ) ( segid " " and resid 164 and name HG2%) OR { 246} ( segid " " and resid 41 and name HE% ) ( segid " " and resid 64 and name HG1%) ASSI { 247} ( segid " " and resid 41 and name HE% ) ( segid " " and resid 39 and name HG1%) 2.200 2.200 3.800 peak 247 spectrum 1 weight 0.11000E+01 volume 0.96651E-02 ppm1 6.952 ppm2 0.774 CV 1 OR { 247} ( segid " " and resid 141 and name HE% ) ( segid " " and resid 139 and name HG1%) ASSI { 250} (( segid " " and resid 41 and name HZ )) (( segid " " and resid 39 and name HA )) 6.000 6.000 0.000 peak 250 spectrum 1 weight 0.11000E+01 volume 0.55186E-04 ppm1 6.888 ppm2 3.978 CV 1 OR { 250} (( segid " " and resid 41 and name HZ )) (( segid " " and resid 139 and name HA )) OR { 250} (( segid " " and resid 141 and name HZ )) (( segid " " and resid 39 and name HA )) ASSI { 251} (( segid " " and resid 141 and name HZ )) ( segid " " and resid 141 and name HD% ) 2.900 1.100 1.100 peak 251 spectrum 1 weight 0.11000E+01 volume 0.68531E-02 ppm1 6.886 ppm2 7.323 CV 1 OR { 251} (( segid " " and resid 41 and name HZ )) ( segid " " and resid 41 and name HD% ) ASSI { 252} (( segid " " and resid 41 and name HZ )) ( segid " " and resid 41 and name HE% ) 1.900 0.400 0.400 peak 252 spectrum 1 weight 0.11000E+01 volume 0.20298E-01 ppm1 6.886 ppm2 6.952 CV 1 OR { 252} (( segid " " and resid 141 and name HZ )) ( segid " " and resid 141 and name HE% ) ASSI { 253} (( segid " " and resid 141 and name HZ )) (( segid " " and resid 149 and name HZ )) 3.100 1.200 1.200 peak 253 spectrum 1 weight 0.11000E+01 volume 0.20024E-02 ppm1 6.881 ppm2 6.614 CV 1 OR { 253} (( segid " " and resid 41 and name HZ )) (( segid " " and resid 49 and name HZ )) ASSI { 255} (( segid " " and resid 41 and name HZ )) (( segid " " and resid 165 and name HA )) 3.700 1.700 1.700 peak 255 spectrum 1 weight 0.11000E+01 volume 0.14931E-02 ppm1 6.883 ppm2 3.905 CV 1 OR { 255} (( segid " " and resid 141 and name HZ )) (( segid " " and resid 165 and name HA )) ASSI { 256} (( segid " " and resid 41 and name HZ )) (( segid " " and resid 64 and name HA )) 3.900 1.900 1.900 peak 256 spectrum 1 weight 0.11000E+01 volume 0.78526E-03 ppm1 6.886 ppm2 3.397 CV 1 OR { 256} (( segid " " and resid 141 and name HZ )) (( segid " " and resid 164 and name HA )) OR { 256} (( segid " " and resid 41 and name HZ )) (( segid " " and resid 164 and name HA )) ASSI { 257} (( segid " " and resid 41 and name HZ )) (( segid " " and resid 41 and name HB2 )) 4.300 2.300 1.700 peak 257 spectrum 1 weight 0.11000E+01 volume 0.93888E-03 ppm1 6.885 ppm2 3.286 CV 1 OR { 257} (( segid " " and resid 141 and name HZ )) (( segid " " and resid 141 and name HB1 )) OR { 257} (( segid " " and resid 141 and name HZ )) (( segid " " and resid 68 and name HA )) OR { 257} (( segid " " and resid 41 and name HZ )) (( segid " " and resid 168 and name HA )) ASSI { 258} (( segid " " and resid 41 and name HZ )) (( segid " " and resid 64 and name HB )) 4.200 2.200 1.800 peak 258 spectrum 1 weight 0.11000E+01 volume 0.97546E-03 ppm1 6.882 ppm2 2.110 CV 1 OR { 258} (( segid " " and resid 141 and name HZ )) (( segid " " and resid 164 and name HB )) OR { 258} (( segid " " and resid 41 and name HZ )) (( segid " " and resid 164 and name HB )) ASSI { 259} (( segid " " and resid 141 and name HZ )) (( segid " " and resid 68 and name HB )) 3.400 1.400 1.400 peak 259 spectrum 1 weight 0.11000E+01 volume 0.23346E-02 ppm1 6.884 ppm2 1.934 CV 1 OR { 259} (( segid " " and resid 41 and name HZ )) (( segid " " and resid 168 and name HB )) ASSI { 260} (( segid " " and resid 41 and name HZ )) (( segid " " and resid 39 and name HB )) 3.000 1.100 1.100 peak 260 spectrum 1 weight 0.11000E+01 volume 0.21273E-02 ppm1 6.884 ppm2 1.807 CV 1 OR { 260} (( segid " " and resid 141 and name HZ )) (( segid " " and resid 139 and name HB )) OR { 260} (( segid " " and resid 41 and name HZ )) (( segid " " and resid 139 and name HB )) ASSI { 263} (( segid " " and resid 41 and name HZ )) ( segid " " and resid 137 and name HG1%) 3.300 1.300 1.300 peak 263 spectrum 1 weight 0.11000E+01 volume 0.34541E-02 ppm1 6.884 ppm2 0.831 CV 1 OR { 263} (( segid " " and resid 141 and name HZ )) ( segid " " and resid 37 and name HG1%) ASSI { 264} (( segid " " and resid 41 and name HZ )) ( segid " " and resid 39 and name HG1%) 3.200 1.300 1.300 peak 264 spectrum 1 weight 0.11000E+01 volume 0.39172E-02 ppm1 6.883 ppm2 0.773 CV 1 OR { 264} (( segid " " and resid 141 and name HZ )) ( segid " " and resid 139 and name HG1%) OR { 264} (( segid " " and resid 41 and name HZ )) ( segid " " and resid 139 and name HG1%) OR { 264} (( segid " " and resid 141 and name HZ )) ( segid " " and resid 39 and name HG1%) ASSI { 265} (( segid " " and resid 141 and name HZ )) ( segid " " and resid 68 and name HG2%) 2.200 2.200 3.800 peak 265 spectrum 1 weight 0.11000E+01 volume 0.14520E-01 ppm1 6.883 ppm2 0.620 CV 1 OR { 265} (( segid " " and resid 41 and name HZ )) ( segid " " and resid 168 and name HG2%) ASSI { 266} (( segid " " and resid 41 and name HZ )) ( segid " " and resid 139 and name HG2%) 2.700 2.700 3.300 peak 266 spectrum 1 weight 0.11000E+01 volume 0.65609E-02 ppm1 6.883 ppm2 0.474 CV 1 OR { 266} (( segid " " and resid 141 and name HZ )) ( segid " " and resid 39 and name HG2%) OR { 266} (( segid " " and resid 41 and name HZ )) ( segid " " and resid 39 and name HG2%) ASSI { 267} (( segid " " and resid 141 and name HZ )) ( segid " " and resid 68 and name HG1%) 3.200 1.300 1.300 peak 267 spectrum 1 weight 0.11000E+01 volume 0.37616E-02 ppm1 6.883 ppm2 0.055 CV 1 OR { 267} (( segid " " and resid 41 and name HZ )) ( segid " " and resid 168 and name HG1%) ASSI { 269} (( segid " " and resid 141 and name HZ )) ( segid " " and resid 167 and name HD1%) 4.900 3.000 1.100 peak 269 spectrum 1 weight 0.11000E+01 volume 0.17598E-03 ppm1 6.879 ppm2 1.060 CV 1 OR { 269} (( segid " " and resid 41 and name HZ )) ( segid " " and resid 67 and name HD2%) OR { 269} (( segid " " and resid 41 and name HZ )) ( segid " " and resid 167 and name HD1%) ASSI { 270} (( segid " " and resid 171 and name HH2 )) (( segid " " and resid 52 and name HA )) 4.000 2.000 2.000 peak 270 spectrum 1 weight 0.11000E+01 volume 0.15652E-02 ppm1 6.802 ppm2 4.311 CV 1 OR { 270} (( segid " " and resid 71 and name HH2 )) (( segid " " and resid 152 and name HA )) ASSI { 276} (( segid " " and resid 171 and name HH2 )) (( segid " " and resid 49 and name HA )) 5.100 3.300 0.900 peak 276 spectrum 1 weight 0.11000E+01 volume 0.15937E-03 ppm1 6.796 ppm2 4.882 CV 1 OR { 276} (( segid " " and resid 71 and name HH2 )) (( segid " " and resid 149 and name HA )) ASSI { 278} (( segid " " and resid 171 and name HH2 )) (( segid " " and resid 172 and name HA )) 4.200 2.200 1.800 peak 278 spectrum 1 weight 0.11000E+01 volume 0.12610E-02 ppm1 6.800 ppm2 3.881 CV 1 OR { 278} (( segid " " and resid 71 and name HH2 )) (( segid " " and resid 72 and name HA )) ASSI { 279} (( segid " " and resid 171 and name HH2 )) (( segid " " and resid 56 and name HB2 )) 3.000 1.200 1.200 peak 279 spectrum 1 weight 0.11000E+01 volume 0.33684E-02 ppm1 6.798 ppm2 2.260 CV 1 OR { 279} (( segid " " and resid 71 and name HH2 )) (( segid " " and resid 156 and name HB1 )) ASSI { 280} (( segid " " and resid 171 and name HH2 )) ( segid " " and resid 52 and name HB% ) 2.000 0.500 0.500 peak 280 spectrum 1 weight 0.11000E+01 volume 0.15815E-01 ppm1 6.798 ppm2 1.821 CV 1 OR { 280} (( segid " " and resid 71 and name HH2 )) ( segid " " and resid 152 and name HB% ) ASSI { 281} (( segid " " and resid 71 and name HH2 )) (( segid " " and resid 75 and name HB2 )) 3.100 3.100 2.900 peak 281 spectrum 1 weight 0.11000E+01 volume 0.65968E-02 ppm1 6.798 ppm2 1.692 CV 1 OR { 281} (( segid " " and resid 171 and name HH2 )) (( segid " " and resid 175 and name HB2 )) ASSI { 283} (( segid " " and resid 171 and name HH2 )) ( segid " " and resid 67 and name HD2%) 3.400 3.400 2.600 peak 283 spectrum 1 weight 0.11000E+01 volume 0.33364E-02 ppm1 6.799 ppm2 1.060 CV 1 OR { 283} (( segid " " and resid 171 and name HH2 )) ( segid " " and resid 172 and name HD2%) OR { 283} (( segid " " and resid 71 and name HH2 )) ( segid " " and resid 72 and name HD2%) ASSI { 284} (( segid " " and resid 71 and name HH2 )) ( segid " " and resid 163 and name HG1%) 2.500 2.500 3.500 peak 284 spectrum 1 weight 0.11000E+01 volume 0.55993E-02 ppm1 6.798 ppm2 0.840 CV 1 OR { 284} (( segid " " and resid 171 and name HH2 )) ( segid " " and resid 63 and name HG2%) ASSI { 286} (( segid " " and resid 171 and name HH2 )) ( segid " " and resid 49 and name HE% ) 4.000 4.000 2.000 peak 286 spectrum 1 weight 0.11000E+01 volume 0.11058E-02 ppm1 6.793 ppm2 6.509 CV 1 OR { 286} (( segid " " and resid 71 and name HH2 )) ( segid " " and resid 149 and name HE% ) ASSI { 288} (( segid " " and resid 171 and name HH2 )) (( segid " " and resid 172 and name HG )) 5.200 3.400 0.800 peak 288 spectrum 1 weight 0.11000E+01 volume 0.29383E-03 ppm1 6.795 ppm2 1.998 CV 1 OR { 288} (( segid " " and resid 71 and name HH2 )) (( segid " " and resid 72 and name HG )) OR { 288} (( segid " " and resid 171 and name HH2 )) (( segid " " and resid 176 and name HB2 )) OR { 288} (( segid " " and resid 171 and name HH2 )) (( segid " " and resid 176 and name HB1 )) ASSI { 289} (( segid " " and resid 49 and name HZ )) (( segid " " and resid 49 and name HA )) 5.400 3.700 0.600 peak 289 spectrum 1 weight 0.11000E+01 volume 0.28465E-03 ppm1 6.622 ppm2 4.875 CV 1 OR { 289} (( segid " " and resid 149 and name HZ )) (( segid " " and resid 149 and name HA )) ASSI { 290} (( segid " " and resid 149 and name HZ )) (( segid " " and resid 164 and name HA )) 2.900 1.000 1.000 peak 290 spectrum 1 weight 0.11000E+01 volume 0.13719E-02 ppm1 6.620 ppm2 3.394 CV 1 OR { 290} (( segid " " and resid 49 and name HZ )) (( segid " " and resid 64 and name HA )) ASSI { 292} (( segid " " and resid 149 and name HZ )) (( segid " " and resid 68 and name HA )) 5.400 3.600 0.600 peak 292 spectrum 1 weight 0.11000E+01 volume 0.27857E-03 ppm1 6.616 ppm2 3.292 CV 1 OR { 292} (( segid " " and resid 49 and name HZ )) (( segid " " and resid 168 and name HA )) ASSI { 293} (( segid " " and resid 149 and name HZ )) (( segid " " and resid 164 and name HB )) 4.600 2.600 1.400 peak 293 spectrum 1 weight 0.11000E+01 volume 0.61513E-03 ppm1 6.617 ppm2 2.106 CV 1 OR { 293} (( segid " " and resid 49 and name HZ )) (( segid " " and resid 64 and name HB )) ASSI { 294} (( segid " " and resid 149 and name HZ )) (( segid " " and resid 160 and name HG12)) 5.600 3.900 0.400 peak 294 spectrum 1 weight 0.11000E+01 volume 0.30930E-03 ppm1 6.619 ppm2 1.269 CV 1 OR { 294} (( segid " " and resid 49 and name HZ )) (( segid " " and resid 60 and name HG12)) ASSI { 295} (( segid " " and resid 49 and name HZ )) ( segid " " and resid 67 and name HD2%) 3.000 1.100 1.100 peak 295 spectrum 1 weight 0.11000E+01 volume 0.10536E-02 ppm1 6.615 ppm2 1.072 CV 1 OR { 295} (( segid " " and resid 149 and name HZ )) ( segid " " and resid 167 and name HD1%) ASSI { 296} (( segid " " and resid 149 and name HZ )) ( segid " " and resid 160 and name HD1%) 4.600 2.600 1.400 peak 296 spectrum 1 weight 0.11000E+01 volume 0.13411E-02 ppm1 6.616 ppm2 0.522 CV 1 OR { 296} (( segid " " and resid 49 and name HZ )) ( segid " " and resid 60 and name HD1%) ASSI { 297} (( segid " " and resid 149 and name HZ )) ( segid " " and resid 68 and name HG1%) 3.500 1.500 1.500 peak 297 spectrum 1 weight 0.11000E+01 volume 0.20188E-02 ppm1 6.613 ppm2 0.054 CV 1 OR { 297} (( segid " " and resid 49 and name HZ )) ( segid " " and resid 168 and name HG1%) ASSI { 299} (( segid " " and resid 49 and name HZ )) ( segid " " and resid 41 and name HD% ) 4.000 2.000 2.000 peak 299 spectrum 1 weight 0.11000E+01 volume 0.66296E-03 ppm1 6.610 ppm2 7.311 CV 1 OR { 299} (( segid " " and resid 49 and name HZ )) (( segid " " and resid 171 and name HZ2 )) OR { 299} (( segid " " and resid 149 and name HZ )) (( segid " " and resid 71 and name HZ2 )) ASSI { 300} (( segid " " and resid 149 and name HZ )) (( segid " " and resid 71 and name HZ3 )) 6.000 5.600 0.000 peak 300 spectrum 1 weight 0.11000E+01 volume 0.55524E-04 ppm1 6.610 ppm2 7.131 CV 1 OR { 300} (( segid " " and resid 49 and name HZ )) (( segid " " and resid 171 and name HZ3 )) ASSI { 302} (( segid " " and resid 149 and name HZ )) ( segid " " and resid 149 and name HE% ) 1.800 0.400 0.400 peak 302 spectrum 1 weight 0.11000E+01 volume 0.17320E-01 ppm1 6.612 ppm2 6.507 CV 1 OR { 302} (( segid " " and resid 49 and name HZ )) ( segid " " and resid 49 and name HE% ) ASSI { 303} (( segid " " and resid 149 and name HZ )) (( segid " " and resid 163 and name HA )) 4.100 2.100 1.900 peak 303 spectrum 1 weight 0.11000E+01 volume 0.12542E-02 ppm1 6.613 ppm2 3.519 CV 1 OR { 303} (( segid " " and resid 49 and name HZ )) (( segid " " and resid 63 and name HA )) ASSI { 304} (( segid " " and resid 149 and name HZ )) (( segid " " and resid 160 and name HA )) 3.600 1.700 1.700 peak 304 spectrum 1 weight 0.11000E+01 volume 0.29568E-02 ppm1 6.612 ppm2 3.144 CV 1 OR { 304} (( segid " " and resid 49 and name HZ )) (( segid " " and resid 60 and name HA )) ASSI { 306} (( segid " " and resid 149 and name HZ )) (( segid " " and resid 167 and name HB1 )) 6.000 4.500 0.000 peak 306 spectrum 1 weight 0.11000E+01 volume 0.00000E+00 ppm1 6.611 ppm2 1.914 CV 1 OR { 306} (( segid " " and resid 49 and name HZ )) (( segid " " and resid 67 and name HB1 )) OR { 306} (( segid " " and resid 149 and name HZ )) (( segid " " and resid 167 and name HB2 )) OR { 306} (( segid " " and resid 49 and name HZ )) (( segid " " and resid 67 and name HB2 )) OR { 306} (( segid " " and resid 49 and name HZ )) (( segid " " and resid 167 and name HB2 )) ASSI { 307} (( segid " " and resid 149 and name HZ )) (( segid " " and resid 163 and name HB )) 2.100 0.600 0.600 peak 307 spectrum 1 weight 0.11000E+01 volume 0.71203E-02 ppm1 6.613 ppm2 1.652 CV 1 OR { 307} (( segid " " and resid 49 and name HZ )) (( segid " " and resid 63 and name HB )) ASSI { 308} (( segid " " and resid 49 and name HZ )) ( segid " " and resid 64 and name HG2%) 2.200 2.200 3.800 peak 308 spectrum 1 weight 0.11000E+01 volume 0.97050E-02 ppm1 6.613 ppm2 1.144 CV 1 OR { 308} (( segid " " and resid 149 and name HZ )) ( segid " " and resid 164 and name HG1%) ASSI { 309} (( segid " " and resid 149 and name HZ )) ( segid " " and resid 164 and name HG2%) 2.800 2.800 3.200 peak 309 spectrum 1 weight 0.11000E+01 volume 0.22627E-02 ppm1 6.613 ppm2 0.957 CV 1 OR { 309} (( segid " " and resid 49 and name HZ )) ( segid " " and resid 64 and name HG1%) ASSI { 310} (( segid " " and resid 149 and name HZ )) ( segid " " and resid 163 and name HG1%) 2.900 1.000 1.000 peak 310 spectrum 1 weight 0.11000E+01 volume 0.48380E-02 ppm1 6.613 ppm2 0.838 CV 1 OR { 310} (( segid " " and resid 49 and name HZ )) ( segid " " and resid 63 and name HG2%) ASSI { 311} (( segid " " and resid 149 and name HZ )) ( segid " " and resid 160 and name HG2%) 3.200 3.200 2.800 peak 311 spectrum 1 weight 0.11000E+01 volume 0.10933E-01 ppm1 6.613 ppm2 0.622 CV 1 OR { 311} (( segid " " and resid 49 and name HZ )) ( segid " " and resid 60 and name HG2%) ASSI { 315} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 163 and name HA )) 4.700 2.700 1.300 peak 315 spectrum 1 weight 0.11000E+01 volume 0.73561E-03 ppm1 6.513 ppm2 3.519 CV 1 OR { 315} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 63 and name HA )) ASSI { 321} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 146 and name HD2 )) 5.300 5.300 0.700 peak 321 spectrum 1 weight 0.11000E+01 volume 0.17103E-03 ppm1 6.507 ppm2 6.320 CV 1 OR { 321} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 46 and name HD2 )) ASSI { 322} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 153 and name HA )) 5.600 5.600 0.400 peak 322 spectrum 1 weight 0.11000E+01 volume 0.16472E-03 ppm1 6.507 ppm2 3.973 CV 1 OR { 322} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 53 and name HA )) ASSI { 323} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 164 and name HA )) 3.200 1.300 1.300 peak 323 spectrum 1 weight 0.11000E+01 volume 0.33558E-02 ppm1 6.509 ppm2 3.391 CV 1 OR { 323} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 64 and name HA )) ASSI { 325} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 164 and name HB )) 4.100 2.100 1.900 peak 325 spectrum 1 weight 0.11000E+01 volume 0.17709E-02 ppm1 6.508 ppm2 2.105 CV 1 OR { 325} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 64 and name HB )) ASSI { 326} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 167 and name HG )) 3.600 1.600 1.600 peak 326 spectrum 1 weight 0.11000E+01 volume 0.18571E-02 ppm1 6.508 ppm2 2.016 CV 1 OR { 326} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 67 and name HG )) OR { 326} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 45 and name HB1 )) ASSI { 327} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 163 and name HB )) 2.300 2.300 3.700 peak 327 spectrum 1 weight 0.11000E+01 volume 0.86674E-02 ppm1 6.507 ppm2 1.649 CV 1 OR { 327} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 63 and name HB )) OR { 327} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 160 and name HB )) ASSI { 328} ( segid " " and resid 49 and name HE% ) ( segid " " and resid 64 and name HG2%) 2.000 2.000 4.000 peak 328 spectrum 1 weight 0.11000E+01 volume 0.14759E-01 ppm1 6.506 ppm2 1.146 CV 1 OR { 328} ( segid " " and resid 149 and name HE% ) ( segid " " and resid 164 and name HG1%) ASSI { 329} ( segid " " and resid 49 and name HE% ) ( segid " " and resid 67 and name HD2%) 2.400 2.400 3.600 peak 329 spectrum 1 weight 0.11000E+01 volume 0.64141E-02 ppm1 6.506 ppm2 1.063 CV 1 OR { 329} ( segid " " and resid 149 and name HE% ) ( segid " " and resid 167 and name HD1%) ASSI { 330} ( segid " " and resid 149 and name HE% ) ( segid " " and resid 163 and name HG1%) 2.500 2.500 3.500 peak 330 spectrum 1 weight 0.11000E+01 volume 0.76004E-02 ppm1 6.506 ppm2 0.839 CV 1 OR { 330} ( segid " " and resid 49 and name HE% ) ( segid " " and resid 63 and name HG2%) ASSI { 331} ( segid " " and resid 149 and name HE% ) ( segid " " and resid 68 and name HG2%) 2.100 2.100 3.900 peak 331 spectrum 1 weight 0.11000E+01 volume 0.23601E-01 ppm1 6.506 ppm2 0.625 CV 1 OR { 331} ( segid " " and resid 49 and name HE% ) ( segid " " and resid 168 and name HG2%) OR { 331} ( segid " " and resid 49 and name HE% ) ( segid " " and resid 60 and name HG2%) ASSI { 333} ( segid " " and resid 49 and name HE% ) ( segid " " and resid 63 and name HG1%) 2.200 2.200 3.800 peak 333 spectrum 1 weight 0.11000E+01 volume 0.16761E-01 ppm1 6.506 ppm2 -0.195 CV 1 OR { 333} ( segid " " and resid 149 and name HE% ) ( segid " " and resid 163 and name HG2%) ASSI { 338} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 146 and name HA )) 3.900 1.900 1.900 peak 338 spectrum 1 weight 0.11000E+01 volume 0.22746E-02 ppm1 6.503 ppm2 3.864 CV 1 OR { 338} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 46 and name HA )) ASSI { 340} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 41 and name HB2 )) 2.900 2.900 3.100 peak 340 spectrum 1 weight 0.11000E+01 volume 0.41306E-02 ppm1 6.503 ppm2 3.267 CV 1 OR { 340} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 48 and name HD2 )) ASSI { 343} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 160 and name HG12)) 3.400 3.400 2.600 peak 343 spectrum 1 weight 0.11000E+01 volume 0.15278E-02 ppm1 6.504 ppm2 1.272 CV 1 OR { 343} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 60 and name HG12)) ASSI { 344} ( segid " " and resid 149 and name HE% ) ( segid " " and resid 164 and name HG2%) 2.500 2.500 3.500 peak 344 spectrum 1 weight 0.11000E+01 volume 0.31320E-02 ppm1 6.503 ppm2 0.955 CV 1 OR { 344} ( segid " " and resid 49 and name HE% ) ( segid " " and resid 64 and name HG1%) ASSI { 345} ( segid " " and resid 149 and name HE% ) ( segid " " and resid 160 and name HD1%) 3.200 3.200 2.800 peak 345 spectrum 1 weight 0.11000E+01 volume 0.63334E-02 ppm1 6.504 ppm2 0.514 CV 1 OR { 345} ( segid " " and resid 49 and name HE% ) ( segid " " and resid 60 and name HD1%) ASSI { 348} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 41 and name HZ )) 5.900 4.300 0.100 peak 348 spectrum 1 weight 0.11000E+01 volume 0.23534E-03 ppm1 6.323 ppm2 6.886 CV 1 OR { 348} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 141 and name HZ )) ASSI { 349} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 146 and name HA )) 2.100 0.600 0.600 peak 349 spectrum 1 weight 0.11000E+01 volume 0.88259E-02 ppm1 6.323 ppm2 3.862 CV 1 OR { 349} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 46 and name HA )) ASSI { 350} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 46 and name HB1 )) 3.000 1.100 1.100 peak 350 spectrum 1 weight 0.11000E+01 volume 0.46363E-02 ppm1 6.323 ppm2 3.373 CV 1 OR { 350} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 146 and name HB1 )) ASSI { 351} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 41 and name HB2 )) 3.000 1.100 1.100 peak 351 spectrum 1 weight 0.11000E+01 volume 0.24680E-02 ppm1 6.323 ppm2 3.246 CV 1 OR { 351} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 149 and name HB1 )) OR { 351} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 49 and name HB1 )) OR { 351} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 141 and name HB1 )) ASSI { 352} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 141 and name HB2 )) 2.800 1.000 1.000 peak 352 spectrum 1 weight 0.11000E+01 volume 0.25886E-02 ppm1 6.323 ppm2 2.812 CV 1 OR { 352} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 41 and name HB1 )) ASSI { 353} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 150 and name HB2 )) 4.100 4.100 1.900 peak 353 spectrum 1 weight 0.11000E+01 volume 0.11557E-02 ppm1 6.323 ppm2 1.644 CV 1 OR { 353} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 50 and name HB2 )) OR { 353} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 63 and name HB )) ASSI { 354} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 35 and name HB2 )) 2.700 0.900 0.900 peak 354 spectrum 1 weight 0.11000E+01 volume 0.31115E-02 ppm1 6.323 ppm2 1.488 CV 1 OR { 354} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 135 and name HB2 )) OR { 354} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 35 and name HB1 )) OR { 354} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 135 and name HB1 )) ASSI { 355} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 135 and name HD1 )) 4.200 2.200 1.800 peak 355 spectrum 1 weight 0.11000E+01 volume 0.10164E-02 ppm1 6.323 ppm2 1.416 CV 1 OR { 355} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 35 and name HD2 )) OR { 355} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 45 and name HG1 )) OR { 355} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 45 and name HG2 )) ASSI { 356} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 150 and name HG1 )) 3.300 1.400 1.400 peak 356 spectrum 1 weight 0.11000E+01 volume 0.20229E-02 ppm1 6.323 ppm2 1.266 CV 1 OR { 356} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 50 and name HG1 )) OR { 356} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 150 and name HG2 )) OR { 356} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 50 and name HG2 )) ASSI { 357} (( segid " " and resid 146 and name HD2 )) ( segid " " and resid 160 and name HD1%) 2.500 0.800 0.800 peak 357 spectrum 1 weight 0.11000E+01 volume 0.63304E-02 ppm1 6.323 ppm2 0.514 CV 1 OR { 357} (( segid " " and resid 46 and name HD2 )) ( segid " " and resid 60 and name HD1%) ASSI { 358} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 160 and name HG11)) 5.000 3.200 1.000 peak 358 spectrum 1 weight 0.11000E+01 volume 0.28177E-03 ppm1 6.324 ppm2 -0.250 CV 1 OR { 358} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 60 and name HG11)) ASSI { 362} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 149 and name HA )) 6.000 5.800 0.000 peak 362 spectrum 1 weight 0.11000E+01 volume 0.15999E-03 ppm1 6.321 ppm2 4.882 CV 1 OR { 362} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 49 and name HA )) ASSI { 363} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 137 and name HA )) 5.100 3.200 0.900 peak 363 spectrum 1 weight 0.11000E+01 volume 0.47699E-03 ppm1 6.323 ppm2 4.137 CV 1 OR { 363} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 37 and name HA )) ASSI { 364} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 149 and name HB2 )) 3.600 1.600 1.600 peak 364 spectrum 1 weight 0.11000E+01 volume 0.15912E-02 ppm1 6.323 ppm2 3.112 CV 1 OR { 364} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 49 and name HB2 )) ASSI { 365} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 46 and name HB2 )) 2.400 0.700 0.700 peak 365 spectrum 1 weight 0.11000E+01 volume 0.43112E-02 ppm1 6.323 ppm2 2.962 CV 1 OR { 365} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 146 and name HB2 )) ASSI { 366} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 137 and name HB )) 4.200 2.200 1.800 peak 366 spectrum 1 weight 0.11000E+01 volume 0.12316E-02 ppm1 6.322 ppm2 2.212 CV 1 OR { 366} (( segid " " and resid 146 and name HD2 )) (( segid " " and resid 37 and name HB )) ASSI { 367} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 135 and name HG2 )) 5.100 3.300 0.900 peak 367 spectrum 1 weight 0.11000E+01 volume 0.26521E-03 ppm1 6.322 ppm2 0.952 CV 1 OR { 367} (( segid " " and resid 146 and name HD2 )) ( segid " " and resid 164 and name HG2%) ASSI { 369} (( segid " " and resid 46 and name HD2 )) ( segid " " and resid 137 and name HG2%) 2.200 2.200 3.800 peak 369 spectrum 1 weight 0.11000E+01 volume 0.12074E-01 ppm1 6.323 ppm2 0.657 CV 1 OR { 369} (( segid " " and resid 146 and name HD2 )) ( segid " " and resid 37 and name HG2%) ASSI { 372} (( segid " " and resid 140 and name HA )) ( segid " " and resid 34 and name HG2%) 4.300 2.300 1.700 peak 372 spectrum 1 weight 0.11000E+01 volume 0.66296E-03 ppm1 5.196 ppm2 0.721 CV 1 OR { 372} (( segid " " and resid 40 and name HA )) ( segid " " and resid 134 and name HG2%) ASSI { 382} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB2 )) 3.200 1.300 1.300 peak 382 spectrum 1 weight 0.11000E+01 volume 0.11825E-02 ppm1 5.098 ppm2 2.490 CV 1 OR { 382} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB2 )) ASSI { 383} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB1 )) 3.400 1.400 1.400 peak 383 spectrum 1 weight 0.11000E+01 volume 0.15530E-02 ppm1 5.095 ppm2 2.433 CV 1 OR { 383} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB1 )) ASSI { 388} (( segid " " and resid 127 and name HA )) ( segid " " and resid 127 and name HB% ) 5.300 3.500 0.700 peak 388 spectrum 1 weight 0.11000E+01 volume 0.61443E-04 ppm1 4.593 ppm2 1.370 CV 1 OR { 388} (( segid " " and resid 27 and name HA )) ( segid " " and resid 27 and name HB% ) ASSI { 393} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB1 )) 4.500 2.600 1.500 peak 393 spectrum 1 weight 0.11000E+01 volume 0.21959E-03 ppm1 4.565 ppm2 3.917 CV 1 OR { 393} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB2 )) OR { 393} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HB2 )) OR { 393} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB1 )) OR { 393} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HB1 )) ASSI { 399} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB2 )) 4.500 2.500 1.500 peak 399 spectrum 1 weight 0.11000E+01 volume 0.23473E-03 ppm1 4.531 ppm2 3.920 CV 1 OR { 399} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HB2 )) OR { 399} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB1 )) OR { 399} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HB1 )) ASSI { 405} (( segid " " and resid 134 and name HA )) (( segid " " and resid 42 and name HA )) 3.100 1.200 1.200 peak 405 spectrum 1 weight 0.11000E+01 volume 0.10206E-02 ppm1 4.503 ppm2 4.818 CV 1 OR { 405} (( segid " " and resid 34 and name HA )) (( segid " " and resid 142 and name HA )) ASSI { 406} (( segid " " and resid 134 and name HA )) ( segid " " and resid 134 and name HG2%) 3.100 1.200 1.200 peak 406 spectrum 1 weight 0.11000E+01 volume 0.16807E-02 ppm1 4.504 ppm2 0.725 CV 1 OR { 406} (( segid " " and resid 34 and name HA )) ( segid " " and resid 34 and name HG2%) OR { 406} (( segid " " and resid 134 and name HA )) ( segid " " and resid 134 and name HD1%) ASSI { 407} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB2 )) 4.100 2.100 1.900 peak 407 spectrum 1 weight 0.11000E+01 volume 0.39433E-03 ppm1 4.498 ppm2 3.920 CV 1 OR { 407} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB2 )) ASSI { 408} (( segid " " and resid 170 and name HA )) (( segid " " and resid 170 and name HB1 )) 3.100 1.200 1.200 peak 408 spectrum 1 weight 0.11000E+01 volume 0.20631E-02 ppm1 4.495 ppm2 3.084 CV 1 OR { 408} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB1 )) OR { 408} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB2 )) OR { 408} (( segid " " and resid 170 and name HA )) (( segid " " and resid 170 and name HB2 )) ASSI { 409} (( segid " " and resid 170 and name HA )) (( segid " " and resid 169 and name HB2 )) 3.700 1.700 1.700 peak 409 spectrum 1 weight 0.11000E+01 volume 0.26749E-02 ppm1 4.496 ppm2 2.975 CV 1 OR { 409} (( segid " " and resid 70 and name HA )) (( segid " " and resid 69 and name HB2 )) ASSI { 418} (( segid " " and resid 147 and name HB )) (( segid " " and resid 148 and name HD1 )) 4.800 2.900 1.200 peak 418 spectrum 1 weight 0.11000E+01 volume 0.84081E-03 ppm1 4.443 ppm2 3.240 CV 1 OR { 418} (( segid " " and resid 47 and name HB )) (( segid " " and resid 48 and name HD2 )) OR { 418} (( segid " " and resid 147 and name HB )) (( segid " " and resid 149 and name HB1 )) OR { 418} (( segid " " and resid 47 and name HB )) (( segid " " and resid 49 and name HB1 )) ASSI { 419} (( segid " " and resid 162 and name HA )) (( segid " " and resid 162 and name HB2 )) 3.200 1.300 1.300 peak 419 spectrum 1 weight 0.11000E+01 volume 0.13849E-02 ppm1 4.437 ppm2 2.707 CV 1 OR { 419} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB2 )) ASSI { 428} (( segid " " and resid 47 and name HB )) ( segid " " and resid 47 and name HG2%) 2.800 0.900 0.900 peak 428 spectrum 1 weight 0.11000E+01 volume 0.31729E-02 ppm1 4.417 ppm2 1.283 CV 1 OR { 428} (( segid " " and resid 147 and name HB )) ( segid " " and resid 147 and name HG2%) ASSI { 430} (( segid " " and resid 62 and name HA )) (( segid " " and resid 63 and name HB )) 5.500 3.700 0.500 peak 430 spectrum 1 weight 0.11000E+01 volume 0.25892E-03 ppm1 4.407 ppm2 1.649 CV 1 OR { 430} (( segid " " and resid 162 and name HA )) (( segid " " and resid 163 and name HB )) ASSI { 434} (( segid " " and resid 69 and name HA )) ( segid " " and resid 72 and name HD1%) 4.700 2.800 1.300 peak 434 spectrum 1 weight 0.11000E+01 volume 0.36033E-03 ppm1 4.375 ppm2 0.877 CV 1 OR { 434} (( segid " " and resid 169 and name HA )) ( segid " " and resid 172 and name HD1%) ASSI { 435} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB2 )) 4.200 2.200 1.800 peak 435 spectrum 1 weight 0.11000E+01 volume 0.25709E-03 ppm1 4.347 ppm2 1.767 CV 1 OR { 435} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HB1 )) ASSI { 441} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB )) 3.100 1.200 1.200 peak 441 spectrum 1 weight 0.11000E+01 volume 0.15353E-02 ppm1 4.315 ppm2 4.143 CV 1 OR { 441} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HB )) OR { 441} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HB )) OR { 441} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB )) ASSI { 443} (( segid " " and resid 52 and name HA )) (( segid " " and resid 55 and name HG1 )) 5.000 3.200 1.000 peak 443 spectrum 1 weight 0.11000E+01 volume 0.23439E-03 ppm1 4.315 ppm2 1.915 CV 1 OR { 443} (( segid " " and resid 152 and name HA )) (( segid " " and resid 155 and name HG1 )) OR { 443} (( segid " " and resid 52 and name HA )) (( segid " " and resid 55 and name HG2 )) OR { 443} (( segid " " and resid 152 and name HA )) (( segid " " and resid 155 and name HG2 )) ASSI { 444} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HG2 )) 5.700 4.000 0.300 peak 444 spectrum 1 weight 0.11000E+01 volume 0.64138E-04 ppm1 4.315 ppm2 1.372 CV 1 OR { 444} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG2 )) ASSI { 445} (( segid " " and resid 126 and name HA )) ( segid " " and resid 126 and name HG2%) 3.400 1.400 1.400 peak 445 spectrum 1 weight 0.11000E+01 volume 0.19710E-02 ppm1 4.315 ppm2 1.199 CV 1 OR { 445} (( segid " " and resid 26 and name HA )) ( segid " " and resid 26 and name HG2%) ASSI { 446} (( segid " " and resid 152 and name HA )) ( segid " " and resid 152 and name HB% ) 2.400 0.700 0.700 peak 446 spectrum 1 weight 0.11000E+01 volume 0.63622E-02 ppm1 4.307 ppm2 1.819 CV 1 OR { 446} (( segid " " and resid 52 and name HA )) ( segid " " and resid 52 and name HB% ) OR { 446} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB2 )) OR { 446} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB1 )) OR { 446} (( segid " " and resid 133 and name HA )) (( segid " " and resid 133 and name HB2 )) ASSI { 447} (( segid " " and resid 152 and name HA )) (( segid " " and resid 155 and name HB2 )) 6.000 4.500 0.000 peak 447 spectrum 1 weight 0.11000E+01 volume 0.00000E+00 ppm1 4.299 ppm2 1.942 CV 1 OR { 447} (( segid " " and resid 52 and name HA )) (( segid " " and resid 55 and name HB1 )) ASSI { 448} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB1 )) 3.100 1.200 1.200 peak 448 spectrum 1 weight 0.11000E+01 volume 0.16014E-02 ppm1 4.298 ppm2 1.750 CV 1 OR { 448} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB1 )) OR { 448} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB2 )) OR { 448} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB2 )) ASSI { 450} (( segid " " and resid 112 and name HA )) (( segid " " and resid 111 and name HG2 )) 3.000 3.000 3.000 peak 450 spectrum 1 weight 0.11000E+01 volume 0.37434E-03 ppm1 4.285 ppm2 1.376 CV 1 OR { 450} (( segid " " and resid 12 and name HA )) (( segid " " and resid 11 and name HG2 )) ASSI { 451} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HD1 )) 5.100 3.300 0.900 peak 451 spectrum 1 weight 0.11000E+01 volume 0.30651E-03 ppm1 4.282 ppm2 1.673 CV 1 OR { 451} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HD1 )) OR { 451} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HD2 )) OR { 451} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HD2 )) ASSI { 454} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG2 )) 4.500 2.500 1.500 peak 454 spectrum 1 weight 0.11000E+01 volume 0.23080E-03 ppm1 4.263 ppm2 1.414 CV 1 OR { 454} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HG2 )) ASSI { 456} (( segid " " and resid 122 and name HA )) (( segid " " and resid 122 and name HG1 )) 3.400 1.500 1.500 peak 456 spectrum 1 weight 0.11000E+01 volume 0.10364E-02 ppm1 4.255 ppm2 2.301 CV 1 OR { 456} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HG1 )) OR { 456} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HG2 )) OR { 456} (( segid " " and resid 174 and name HA )) (( segid " " and resid 174 and name HG2 )) OR { 456} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HG1 )) ASSI { 459} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) 2.600 0.800 0.800 peak 459 spectrum 1 weight 0.11000E+01 volume 0.57711E-02 ppm1 4.258 ppm2 1.942 CV 1 OR { 459} (( segid " " and resid 122 and name HA )) (( segid " " and resid 122 and name HB2 )) ASSI { 460} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB2 )) 2.800 1.000 1.000 peak 460 spectrum 1 weight 0.11000E+01 volume 0.40282E-02 ppm1 4.255 ppm2 1.791 CV 1 OR { 460} (( segid " " and resid 174 and name HA )) (( segid " " and resid 174 and name HB2 )) ASSI { 464} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HG2 )) 5.700 4.000 0.300 peak 464 spectrum 1 weight 0.11000E+01 volume 0.67991E-04 ppm1 4.230 ppm2 2.247 CV 1 OR { 464} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HG2 )) OR { 464} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HG1 )) OR { 464} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HG1 )) ASSI { 466} (( segid " " and resid 154 and name HA )) ( segid " " and resid 154 and name HB% ) 1.900 1.900 4.100 peak 466 spectrum 1 weight 0.11000E+01 volume 0.33305E-01 ppm1 4.228 ppm2 1.544 CV 1 OR { 466} (( segid " " and resid 54 and name HA )) ( segid " " and resid 54 and name HB% ) ASSI { 2} (( segid " " and resid 141 and name HA )) (( segid " " and resid 142 and name HN )) 1.800 0.400 0.400 peak 2 spectrum 1 weight 0.10000E+01 volume 0.14309E-01 ppm1 5.123 ppm2 9.231 CV 1 OR { 2} (( segid " " and resid 41 and name HA )) (( segid " " and resid 42 and name HN )) ASSI { 3} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HN )) 1.800 0.400 0.400 peak 3 spectrum 1 weight 0.10000E+01 volume 0.17852E-01 ppm1 5.085 ppm2 9.213 CV 1 OR { 3} (( segid " " and resid 138 and name HA )) (( segid " " and resid 139 and name HN )) ASSI { 5} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 49 and name HN )) 3.000 1.100 1.100 peak 5 spectrum 1 weight 0.10000E+01 volume 0.28825E-02 ppm1 6.958 ppm2 9.082 CV 1 OR { 5} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 149 and name HN )) OR { 5} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 50 and name HN )) OR { 5} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 150 and name HN )) ASSI { 10} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 167 and name HN )) 6.000 4.600 0.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.40126E-04 ppm1 7.399 ppm2 8.540 CV 1 OR { 10} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HN )) OR { 10} (( segid " " and resid 171 and name HD1 )) (( segid " " and resid 171 and name HN )) ASSI { 12} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HN )) 2.500 0.800 0.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.35140E-02 ppm1 5.086 ppm2 8.488 CV 1 OR { 12} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HN )) ASSI { 14} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HN )) 2.600 0.800 0.800 peak 14 spectrum 1 weight 0.10000E+01 volume 0.20140E-02 ppm1 5.180 ppm2 7.731 CV 1 OR { 14} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HN )) ASSI { 17} ( segid " " and resid 141 and name HE% ) ( segid " " and resid 141 and name HD% ) 1.600 0.300 0.600 peak 17 spectrum 1 weight 0.10000E+01 volume 0.34879E-01 ppm1 6.951 ppm2 7.321 CV 1 OR { 17} ( segid " " and resid 41 and name HE% ) ( segid " " and resid 41 and name HD% ) ASSI { 26} ( segid " " and resid 149 and name HE% ) ( segid " " and resid 149 and name HD% ) 1.800 0.400 0.400 peak 26 spectrum 1 weight 0.10000E+01 volume 0.15243E-01 ppm1 6.507 ppm2 6.953 CV 1 OR { 26} ( segid " " and resid 49 and name HE% ) ( segid " " and resid 49 and name HD% ) OR { 26} ( segid " " and resid 49 and name HE% ) ( segid " " and resid 41 and name HE% ) ASSI { 27} (( segid " " and resid 146 and name HD2 )) ( segid " " and resid 149 and name HD% ) 3.800 1.800 1.800 peak 27 spectrum 1 weight 0.10000E+01 volume 0.45855E-03 ppm1 6.318 ppm2 6.951 CV 1 OR { 27} (( segid " " and resid 46 and name HD2 )) ( segid " " and resid 49 and name HD% ) OR { 27} (( segid " " and resid 46 and name HD2 )) ( segid " " and resid 41 and name HE% ) OR { 27} (( segid " " and resid 146 and name HD2 )) ( segid " " and resid 141 and name HE% ) ASSI { 28} (( segid " " and resid 41 and name HA )) ( segid " " and resid 41 and name HE% ) 3.600 1.600 1.600 peak 28 spectrum 1 weight 0.10000E+01 volume 0.20847E-02 ppm1 5.120 ppm2 6.960 CV 1 OR { 28} (( segid " " and resid 141 and name HA )) ( segid " " and resid 141 and name HE% ) ASSI { 31} (( segid " " and resid 71 and name HE3 )) ( segid " " and resid 149 and name HE% ) 4.200 2.200 1.800 peak 31 spectrum 1 weight 0.10000E+01 volume 0.10897E-03 ppm1 7.253 ppm2 6.514 CV 1 OR { 31} (( segid " " and resid 171 and name HE3 )) ( segid " " and resid 49 and name HE% ) ASSI { 32} ( segid " " and resid 149 and name HD% ) ( segid " " and resid 149 and name HE% ) 1.800 0.400 0.400 peak 32 spectrum 1 weight 0.10000E+01 volume 0.16071E-01 ppm1 6.960 ppm2 6.512 CV 1 OR { 32} ( segid " " and resid 49 and name HD% ) ( segid " " and resid 49 and name HE% ) OR { 32} ( segid " " and resid 141 and name HE% ) ( segid " " and resid 149 and name HE% ) ASSI { 33} (( segid " " and resid 141 and name HZ )) ( segid " " and resid 149 and name HE% ) 3.700 1.700 1.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.67491E-03 ppm1 6.877 ppm2 6.517 CV 1 OR { 33} (( segid " " and resid 41 and name HZ )) ( segid " " and resid 49 and name HE% ) ASSI { 38} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 49 and name HA )) 4.600 2.700 1.400 peak 38 spectrum 1 weight 0.10000E+01 volume 0.41659E-03 ppm1 6.504 ppm2 4.874 CV 1 OR { 38} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 149 and name HA )) ASSI { 39} (( segid " " and resid 40 and name HA )) (( segid " " and resid 136 and name HA )) 2.200 0.600 0.600 peak 39 spectrum 1 weight 0.10000E+01 volume 0.41738E-02 ppm1 5.183 ppm2 4.591 CV 1 OR { 39} (( segid " " and resid 140 and name HA )) (( segid " " and resid 36 and name HA )) ASSI { 40} (( segid " " and resid 171 and name HD1 )) (( segid " " and resid 171 and name HA )) 2.800 0.900 0.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.25137E-02 ppm1 7.400 ppm2 4.191 CV 1 OR { 40} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HA )) OR { 40} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 167 and name HA )) OR { 40} (( segid " " and resid 171 and name HD1 )) (( segid " " and resid 67 and name HA )) ASSI { 42} (( segid " " and resid 115 and name HZ )) (( segid " " and resid 116 and name HA2 )) 2.300 2.300 3.700 peak 42 spectrum 1 weight 0.10000E+01 volume 0.13898E-02 ppm1 7.321 ppm2 3.895 CV 1 OR { 42} (( segid " " and resid 15 and name HZ )) (( segid " " and resid 16 and name HA1 )) ASSI { 44} ( segid " " and resid 141 and name HE% ) (( segid " " and resid 65 and name HA )) 2.700 0.900 0.900 peak 44 spectrum 1 weight 0.10000E+01 volume 0.37116E-02 ppm1 6.952 ppm2 3.893 CV 1 OR { 44} ( segid " " and resid 41 and name HE% ) (( segid " " and resid 165 and name HA )) OR { 44} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 46 and name HA )) OR { 44} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 146 and name HA )) ASSI { 46} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HB2 )) 2.400 0.700 0.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.39357E-02 ppm1 7.400 ppm2 3.339 CV 1 OR { 46} (( segid " " and resid 171 and name HD1 )) (( segid " " and resid 171 and name HB2 )) OR { 46} (( segid " " and resid 171 and name HD1 )) (( segid " " and resid 171 and name HB1 )) ASSI { 48} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 71 and name HB1 )) 2.700 0.900 0.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.15303E-02 ppm1 7.255 ppm2 3.338 CV 1 OR { 48} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 171 and name HB1 )) OR { 48} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 171 and name HB2 )) ASSI { 51} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB1 )) 2.300 0.700 0.700 peak 51 spectrum 1 weight 0.10000E+01 volume 0.40746E-02 ppm1 5.120 ppm2 3.240 CV 1 OR { 51} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB2 )) ASSI { 52} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 60 and name HA )) 3.500 1.500 1.500 peak 52 spectrum 1 weight 0.10000E+01 volume 0.10366E-02 ppm1 6.507 ppm2 3.148 CV 1 OR { 52} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 160 and name HA )) ASSI { 53} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 160 and name HA )) 2.600 2.600 3.400 peak 53 spectrum 1 weight 0.10000E+01 volume 0.68449E-02 ppm1 6.959 ppm2 3.137 CV 1 OR { 53} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 60 and name HA )) ASSI { 58} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB1 )) 2.200 0.600 0.600 peak 58 spectrum 1 weight 0.10000E+01 volume 0.64171E-02 ppm1 5.124 ppm2 2.820 CV 1 OR { 58} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB2 )) ASSI { 62} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB2 )) 2.900 1.000 1.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.23296E-02 ppm1 5.184 ppm2 2.587 CV 1 OR { 62} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB2 )) ASSI { 63} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB2 )) 2.100 0.600 0.600 peak 63 spectrum 1 weight 0.10000E+01 volume 0.10087E-01 ppm1 5.088 ppm2 2.474 CV 1 OR { 63} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB2 )) OR { 63} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB1 )) OR { 63} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB1 )) ASSI { 64} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB1 )) 2.200 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.46506E-02 ppm1 5.181 ppm2 2.323 CV 1 OR { 64} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HB1 )) ASSI { 65} (( segid " " and resid 115 and name HZ )) (( segid " " and resid 117 and name HG1 )) 1.800 1.800 4.200 peak 65 spectrum 1 weight 0.10000E+01 volume 0.58422E-02 ppm1 7.321 ppm2 2.212 CV 1 OR { 65} (( segid " " and resid 15 and name HZ )) (( segid " " and resid 17 and name HG1 )) OR { 65} (( segid " " and resid 115 and name HZ )) (( segid " " and resid 117 and name HG2 )) OR { 65} (( segid " " and resid 15 and name HZ )) (( segid " " and resid 17 and name HG2 )) ASSI { 68} (( segid " " and resid 171 and name HE3 )) (( segid " " and resid 172 and name HG )) 2.800 1.000 1.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.34958E-02 ppm1 7.262 ppm2 2.000 CV 1 OR { 68} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 72 and name HG )) OR { 68} (( segid " " and resid 71 and name HE3 )) (( segid " " and resid 167 and name HG )) ASSI { 69} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 167 and name HB1 )) 3.900 1.900 1.900 peak 69 spectrum 1 weight 0.10000E+01 volume 0.12702E-02 ppm1 6.507 ppm2 1.879 CV 1 OR { 69} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 67 and name HB1 )) OR { 69} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 167 and name HB2 )) OR { 69} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 67 and name HB2 )) ASSI { 72} (( segid " " and resid 71 and name HZ3 )) ( segid " " and resid 152 and name HB% ) 2.300 0.700 0.700 peak 72 spectrum 1 weight 0.10000E+01 volume 0.58422E-02 ppm1 7.127 ppm2 1.823 CV 1 OR { 72} (( segid " " and resid 171 and name HZ3 )) ( segid " " and resid 52 and name HB% ) ASSI { 73} ( segid " " and resid 41 and name HE% ) (( segid " " and resid 39 and name HB )) 2.300 2.300 3.700 peak 73 spectrum 1 weight 0.10000E+01 volume 0.11181E-01 ppm1 6.954 ppm2 1.838 CV 1 OR { 73} ( segid " " and resid 141 and name HE% ) (( segid " " and resid 139 and name HB )) OR { 73} ( segid " " and resid 49 and name HD% ) ( segid " " and resid 52 and name HB% ) OR { 73} ( segid " " and resid 149 and name HD% ) ( segid " " and resid 152 and name HB% ) ASSI { 75} (( segid " " and resid 40 and name HA )) (( segid " " and resid 136 and name HB1 )) 4.300 2.300 1.700 peak 75 spectrum 1 weight 0.10000E+01 volume 0.40100E-03 ppm1 5.190 ppm2 1.816 CV 1 OR { 75} (( segid " " and resid 140 and name HA )) (( segid " " and resid 36 and name HB1 )) OR { 75} (( segid " " and resid 40 and name HA )) (( segid " " and resid 136 and name HB2 )) OR { 75} (( segid " " and resid 140 and name HA )) (( segid " " and resid 36 and name HB2 )) ASSI { 76} (( segid " " and resid 138 and name HA )) (( segid " " and resid 139 and name HB )) 4.400 2.400 1.600 peak 76 spectrum 1 weight 0.10000E+01 volume 0.48218E-03 ppm1 5.098 ppm2 1.816 CV 1 OR { 76} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HB )) OR { 76} (( segid " " and resid 138 and name HA )) (( segid " " and resid 39 and name HB )) ASSI { 81} ( segid " " and resid 149 and name HE% ) (( segid " " and resid 163 and name HB )) 2.900 1.000 1.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.15840E-02 ppm1 6.513 ppm2 1.637 CV 1 OR { 81} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 63 and name HB )) ASSI { 82} (( segid " " and resid 40 and name HA )) (( segid " " and resid 136 and name HG2 )) 3.700 1.700 1.700 peak 82 spectrum 1 weight 0.10000E+01 volume 0.12774E-02 ppm1 5.181 ppm2 1.636 CV 1 OR { 82} (( segid " " and resid 140 and name HA )) (( segid " " and resid 36 and name HG2 )) OR { 82} (( segid " " and resid 40 and name HA )) (( segid " " and resid 136 and name HG1 )) OR { 82} (( segid " " and resid 140 and name HA )) (( segid " " and resid 36 and name HG1 )) ASSI { 83} (( segid " " and resid 46 and name HE1 )) (( segid " " and resid 50 and name HD1 )) 2.900 1.100 1.100 peak 83 spectrum 1 weight 0.10000E+01 volume 0.19271E-02 ppm1 7.717 ppm2 1.542 CV 1 OR { 83} (( segid " " and resid 146 and name HE1 )) (( segid " " and resid 150 and name HD1 )) OR { 83} (( segid " " and resid 46 and name HE1 )) (( segid " " and resid 50 and name HD2 )) OR { 83} (( segid " " and resid 146 and name HE1 )) (( segid " " and resid 150 and name HD2 )) OR { 83} (( segid " " and resid 146 and name HE1 )) (( segid " " and resid 35 and name HD1 )) ASSI { 85} ( segid " " and resid 141 and name HE% ) (( segid " " and resid 35 and name HB2 )) 3.300 1.400 1.400 peak 85 spectrum 1 weight 0.10000E+01 volume 0.16057E-02 ppm1 6.953 ppm2 1.471 CV 1 OR { 85} ( segid " " and resid 41 and name HE% ) (( segid " " and resid 135 and name HB2 )) OR { 85} ( segid " " and resid 41 and name HE% ) (( segid " " and resid 45 and name HG1 )) OR { 85} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 45 and name HG2 )) OR { 85} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 135 and name HB2 )) OR { 85} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 45 and name HG1 )) OR { 85} ( segid " " and resid 41 and name HE% ) (( segid " " and resid 45 and name HG2 )) OR { 85} ( segid " " and resid 141 and name HE% ) (( segid " " and resid 35 and name HB1 )) OR { 85} ( segid " " and resid 41 and name HE% ) (( segid " " and resid 135 and name HB1 )) ASSI { 86} (( segid " " and resid 71 and name HZ2 )) ( segid " " and resid 158 and name HG2%) 4.000 2.000 2.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.30058E-03 ppm1 7.312 ppm2 1.186 CV 1 OR { 86} (( segid " " and resid 171 and name HZ2 )) ( segid " " and resid 58 and name HG2%) ASSI { 87} (( segid " " and resid 141 and name HZ )) ( segid " " and resid 164 and name HG1%) 3.200 1.300 1.300 peak 87 spectrum 1 weight 0.10000E+01 volume 0.65941E-03 ppm1 6.880 ppm2 1.147 CV 1 OR { 87} (( segid " " and resid 41 and name HZ )) ( segid " " and resid 64 and name HG2%) OR { 87} (( segid " " and resid 41 and name HZ )) ( segid " " and resid 164 and name HG1%) ASSI { 93} (( segid " " and resid 171 and name HZ3 )) ( segid " " and resid 67 and name HD2%) 3.000 1.100 1.100 peak 93 spectrum 1 weight 0.10000E+01 volume 0.26411E-02 ppm1 7.136 ppm2 1.064 CV 1 OR { 93} (( segid " " and resid 171 and name HZ3 )) ( segid " " and resid 172 and name HD2%) OR { 93} (( segid " " and resid 71 and name HZ3 )) ( segid " " and resid 72 and name HD2%) ASSI { 94} ( segid " " and resid 141 and name HE% ) ( segid " " and resid 167 and name HD1%) 2.400 2.400 3.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.95250E-02 ppm1 6.958 ppm2 1.046 CV 1 OR { 94} ( segid " " and resid 49 and name HD% ) ( segid " " and resid 172 and name HD2%) OR { 94} ( segid " " and resid 49 and name HD% ) ( segid " " and resid 67 and name HD2%) OR { 94} ( segid " " and resid 41 and name HE% ) ( segid " " and resid 167 and name HD1%) OR { 94} ( segid " " and resid 41 and name HE% ) ( segid " " and resid 67 and name HD2%) ASSI { 95} (( segid " " and resid 41 and name HZ )) ( segid " " and resid 64 and name HG1%) 2.400 0.700 0.700 peak 95 spectrum 1 weight 0.10000E+01 volume 0.38837E-02 ppm1 6.877 ppm2 0.957 CV 1 OR { 95} (( segid " " and resid 141 and name HZ )) ( segid " " and resid 164 and name HG2%) OR { 95} (( segid " " and resid 141 and name HZ )) ( segid " " and resid 64 and name HG1%) ASSI { 96} (( segid " " and resid 171 and name HE3 )) ( segid " " and resid 172 and name HD1%) 4.200 2.200 1.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.26548E-03 ppm1 7.269 ppm2 0.866 CV 1 OR { 96} (( segid " " and resid 71 and name HE3 )) ( segid " " and resid 72 and name HD1%) OR { 96} (( segid " " and resid 71 and name HE3 )) ( segid " " and resid 163 and name HG1%) ASSI { 98} ( segid " " and resid 149 and name HE% ) ( segid " " and resid 163 and name HG1%) 2.600 0.800 0.800 peak 98 spectrum 1 weight 0.10000E+01 volume 0.39606E-02 ppm1 6.507 ppm2 0.847 CV 1 OR { 98} ( segid " " and resid 149 and name HE% ) ( segid " " and resid 72 and name HD1%) OR { 98} ( segid " " and resid 49 and name HE% ) ( segid " " and resid 172 and name HD1%) OR { 98} ( segid " " and resid 49 and name HE% ) ( segid " " and resid 63 and name HG2%) OR { 98} ( segid " " and resid 49 and name HE% ) ( segid " " and resid 137 and name HG1%) ASSI { 99} (( segid " " and resid 71 and name HZ2 )) ( segid " " and resid 163 and name HG1%) 3.000 1.100 1.100 peak 99 spectrum 1 weight 0.10000E+01 volume 0.15396E-02 ppm1 7.309 ppm2 0.827 CV 1 OR { 99} (( segid " " and resid 171 and name HZ2 )) ( segid " " and resid 63 and name HG2%) ASSI { 100} ( segid " " and resid 41 and name HE% ) ( segid " " and resid 137 and name HG1%) 2.200 2.200 3.800 peak 100 spectrum 1 weight 0.10000E+01 volume 0.10985E-01 ppm1 6.951 ppm2 0.813 CV 1 OR { 100} ( segid " " and resid 141 and name HE% ) ( segid " " and resid 37 and name HG1%) OR { 100} ( segid " " and resid 49 and name HD% ) ( segid " " and resid 63 and name HG2%) OR { 100} ( segid " " and resid 49 and name HD% ) ( segid " " and resid 137 and name HG1%) ASSI { 102} (( segid " " and resid 46 and name HD2 )) ( segid " " and resid 137 and name HG1%) 3.200 1.300 1.300 peak 102 spectrum 1 weight 0.10000E+01 volume 0.31758E-02 ppm1 6.321 ppm2 0.820 CV 1 OR { 102} (( segid " " and resid 146 and name HD2 )) ( segid " " and resid 37 and name HG1%) ASSI { 103} (( segid " " and resid 138 and name HA )) ( segid " " and resid 137 and name HG1%) 3.200 1.300 1.300 peak 103 spectrum 1 weight 0.10000E+01 volume 0.19579E-02 ppm1 5.093 ppm2 0.786 CV 1 OR { 103} (( segid " " and resid 38 and name HA )) ( segid " " and resid 37 and name HG1%) OR { 103} (( segid " " and resid 138 and name HA )) ( segid " " and resid 139 and name HG1%) OR { 103} (( segid " " and resid 38 and name HA )) ( segid " " and resid 39 and name HG1%) ASSI { 105} (( segid " " and resid 41 and name HA )) ( segid " " and resid 134 and name HG2%) 4.200 2.200 1.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.24072E-03 ppm1 5.119 ppm2 0.712 CV 1 OR { 105} (( segid " " and resid 141 and name HA )) ( segid " " and resid 34 and name HG2%) ASSI { 107} ( segid " " and resid 41 and name HE% ) ( segid " " and resid 137 and name HG2%) 2.000 2.000 4.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.14512E-01 ppm1 6.952 ppm2 0.630 CV 1 OR { 107} ( segid " " and resid 141 and name HE% ) ( segid " " and resid 37 and name HG2%) OR { 107} ( segid " " and resid 141 and name HE% ) ( segid " " and resid 68 and name HG2%) OR { 107} ( segid " " and resid 41 and name HE% ) ( segid " " and resid 168 and name HG2%) OR { 107} ( segid " " and resid 49 and name HD% ) ( segid " " and resid 60 and name HG2%) ASSI { 111} (( segid " " and resid 149 and name HZ )) ( segid " " and resid 68 and name HG2%) 2.600 2.600 3.400 peak 111 spectrum 1 weight 0.10000E+01 volume 0.34315E-02 ppm1 6.608 ppm2 0.611 CV 1 OR { 111} (( segid " " and resid 49 and name HZ )) ( segid " " and resid 168 and name HG2%) ASSI { 117} ( segid " " and resid 149 and name HE% ) ( segid " " and resid 68 and name HG1%) 3.600 1.600 1.600 peak 117 spectrum 1 weight 0.10000E+01 volume 0.55474E-03 ppm1 6.508 ppm2 0.039 CV 1 OR { 117} ( segid " " and resid 49 and name HE% ) ( segid " " and resid 168 and name HG1%) ASSI { 118} ( segid " " and resid 149 and name HD% ) (( segid " " and resid 160 and name HG11)) 2.600 0.800 0.800 peak 118 spectrum 1 weight 0.10000E+01 volume 0.12580E-02 ppm1 6.956 ppm2 -0.205 CV 1 OR { 118} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 60 and name HG11)) ASSI { 119} (( segid " " and resid 49 and name HZ )) ( segid " " and resid 63 and name HG1%) 2.800 1.000 1.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.35281E-02 ppm1 6.609 ppm2 -0.204 CV 1 OR { 119} (( segid " " and resid 149 and name HZ )) ( segid " " and resid 163 and name HG2%) ASSI { 123} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HN )) 2.700 0.900 0.900 peak 123 spectrum 1 weight 0.10000E+01 volume 0.21281E-02 ppm1 4.525 ppm2 9.444 CV 1 OR { 123} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HN )) ASSI { 124} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HN )) 2.600 0.800 0.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.23190E-02 ppm1 3.877 ppm2 9.458 CV 1 OR { 124} (( segid " " and resid 172 and name HA )) (( segid " " and resid 172 and name HN )) ASSI { 128} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 135 and name HN )) 6.000 6.000 0.000 peak 128 spectrum 1 weight 0.10000E+01 volume 0.19734E-04 ppm1 2.006 ppm2 9.452 CV 1 OR { 128} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 35 and name HN )) OR { 128} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 172 and name HN )) OR { 128} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 72 and name HN )) OR { 128} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 135 and name HN )) OR { 128} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 35 and name HN )) ASSI { 129} (( segid " " and resid 72 and name HG )) (( segid " " and resid 72 and name HN )) 3.200 1.200 1.200 peak 129 spectrum 1 weight 0.10000E+01 volume 0.28352E-02 ppm1 2.006 ppm2 9.456 CV 1 OR { 129} (( segid " " and resid 172 and name HG )) (( segid " " and resid 172 and name HN )) ASSI { 132} (( segid " " and resid 34 and name HB )) (( segid " " and resid 35 and name HN )) 3.200 1.300 1.300 peak 132 spectrum 1 weight 0.10000E+01 volume 0.21096E-02 ppm1 1.751 ppm2 9.445 CV 1 OR { 132} (( segid " " and resid 134 and name HB )) (( segid " " and resid 135 and name HN )) ASSI { 134} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HN )) 2.300 0.600 0.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.59578E-02 ppm1 1.483 ppm2 9.444 CV 1 OR { 134} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HN )) OR { 134} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 135 and name HN )) OR { 134} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HN )) ASSI { 136} ( segid " " and resid 172 and name HD2%) (( segid " " and resid 172 and name HN )) 3.500 1.500 1.500 peak 136 spectrum 1 weight 0.10000E+01 volume 0.25181E-02 ppm1 1.059 ppm2 9.455 CV 1 OR { 136} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 72 and name HN )) ASSI { 138} ( segid " " and resid 72 and name HD1%) (( segid " " and resid 72 and name HN )) 3.400 1.500 1.500 peak 138 spectrum 1 weight 0.10000E+01 volume 0.23838E-02 ppm1 0.877 ppm2 9.447 CV 1 OR { 138} ( segid " " and resid 172 and name HD1%) (( segid " " and resid 172 and name HN )) ASSI { 139} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 35 and name HN )) 2.200 2.200 3.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.18252E-02 ppm1 0.737 ppm2 9.444 CV 1 OR { 139} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 135 and name HN )) ASSI { 141} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HN )) 1.800 0.400 0.400 peak 141 spectrum 1 weight 0.10000E+01 volume 0.14601E-01 ppm1 4.506 ppm2 9.442 CV 1 OR { 141} (( segid " " and resid 134 and name HA )) (( segid " " and resid 135 and name HN )) ASSI { 143} (( segid " " and resid 171 and name HA )) (( segid " " and resid 172 and name HN )) 3.800 1.800 1.800 peak 143 spectrum 1 weight 0.10000E+01 volume 0.44698E-03 ppm1 4.199 ppm2 9.438 CV 1 OR { 143} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HN )) ASSI { 144} (( segid " " and resid 34 and name HG12)) (( segid " " and resid 35 and name HN )) 6.000 6.000 0.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.19256E-04 ppm1 1.207 ppm2 9.441 CV 1 OR { 144} (( segid " " and resid 134 and name HG11)) (( segid " " and resid 135 and name HN )) ASSI { 145} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 35 and name HN )) 2.300 2.300 3.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.50749E-02 ppm1 0.716 ppm2 9.441 CV 1 OR { 145} ( segid " " and resid 134 and name HG2%) (( segid " " and resid 135 and name HN )) ASSI { 146} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 142 and name HN )) 2.100 0.500 0.500 peak 146 spectrum 1 weight 0.10000E+01 volume 0.57690E-02 ppm1 2.737 ppm2 9.234 CV 1 OR { 146} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HN )) ASSI { 147} (( segid " " and resid 136 and name HA )) (( segid " " and resid 39 and name HN )) 4.700 2.700 1.300 peak 147 spectrum 1 weight 0.10000E+01 volume 0.20165E-03 ppm1 4.597 ppm2 9.218 CV 1 OR { 147} (( segid " " and resid 36 and name HA )) (( segid " " and resid 139 and name HN )) OR { 147} (( segid " " and resid 36 and name HA )) (( segid " " and resid 142 and name HN )) ASSI { 148} (( segid " " and resid 139 and name HA )) (( segid " " and resid 139 and name HN )) 2.600 0.800 0.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.25505E-02 ppm1 3.975 ppm2 9.208 CV 1 OR { 148} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HN )) ASSI { 149} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 142 and name HN )) 2.900 1.100 1.100 peak 149 spectrum 1 weight 0.10000E+01 volume 0.61610E-02 ppm1 2.843 ppm2 9.231 CV 1 OR { 149} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 42 and name HN )) ASSI { 155} (( segid " " and resid 139 and name HB )) (( segid " " and resid 139 and name HN )) 2.400 0.700 0.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.49266E-02 ppm1 1.805 ppm2 9.213 CV 1 OR { 155} (( segid " " and resid 39 and name HB )) (( segid " " and resid 39 and name HN )) ASSI { 156} ( segid " " and resid 37 and name HG1%) (( segid " " and resid 39 and name HN )) 3.400 3.400 2.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.12649E-02 ppm1 0.824 ppm2 9.214 CV 1 OR { 156} ( segid " " and resid 137 and name HG1%) (( segid " " and resid 139 and name HN )) ASSI { 157} ( segid " " and resid 139 and name HG1%) (( segid " " and resid 139 and name HN )) 3.000 1.100 1.100 peak 157 spectrum 1 weight 0.10000E+01 volume 0.49930E-02 ppm1 0.774 ppm2 9.212 CV 1 OR { 157} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 39 and name HN )) ASSI { 160} (( segid " " and resid 137 and name HA )) (( segid " " and resid 39 and name HN )) 6.000 6.000 0.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.19242E-04 ppm1 4.135 ppm2 9.189 CV 1 OR { 160} (( segid " " and resid 37 and name HA )) (( segid " " and resid 39 and name HN )) OR { 160} (( segid " " and resid 137 and name HA )) (( segid " " and resid 139 and name HN )) ASSI { 164} (( segid " " and resid 144 and name HA )) (( segid " " and resid 149 and name HN )) 3.700 1.700 1.700 peak 164 spectrum 1 weight 0.10000E+01 volume 0.94090E-03 ppm1 4.177 ppm2 9.088 CV 1 OR { 164} (( segid " " and resid 44 and name HA )) (( segid " " and resid 49 and name HN )) OR { 164} (( segid " " and resid 144 and name HA )) (( segid " " and resid 150 and name HN )) ASSI { 165} (( segid " " and resid 48 and name HA )) (( segid " " and resid 49 and name HN )) 3.500 1.500 1.500 peak 165 spectrum 1 weight 0.10000E+01 volume 0.59208E-03 ppm1 4.166 ppm2 9.086 CV 1 OR { 165} (( segid " " and resid 148 and name HA )) (( segid " " and resid 149 and name HN )) OR { 165} (( segid " " and resid 48 and name HA )) (( segid " " and resid 50 and name HN )) ASSI { 166} (( segid " " and resid 145 and name HA )) (( segid " " and resid 149 and name HN )) 5.100 3.200 0.900 peak 166 spectrum 1 weight 0.10000E+01 volume 0.73625E-04 ppm1 3.965 ppm2 9.071 CV 1 OR { 166} (( segid " " and resid 45 and name HA )) (( segid " " and resid 49 and name HN )) OR { 166} (( segid " " and resid 145 and name HA )) (( segid " " and resid 150 and name HN )) ASSI { 167} (( segid " " and resid 146 and name HA )) (( segid " " and resid 149 and name HN )) 3.200 1.300 1.300 peak 167 spectrum 1 weight 0.10000E+01 volume 0.16732E-02 ppm1 3.863 ppm2 9.078 CV 1 OR { 167} (( segid " " and resid 46 and name HA )) (( segid " " and resid 49 and name HN )) OR { 167} (( segid " " and resid 46 and name HA )) (( segid " " and resid 50 and name HN )) ASSI { 168} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HN )) 3.000 1.200 1.200 peak 168 spectrum 1 weight 0.10000E+01 volume 0.13672E-02 ppm1 3.651 ppm2 9.080 CV 1 OR { 168} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HN )) OR { 168} (( segid " " and resid 47 and name HA )) (( segid " " and resid 49 and name HN )) ASSI { 169} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HN )) 2.500 0.800 0.800 peak 169 spectrum 1 weight 0.10000E+01 volume 0.38632E-02 ppm1 3.442 ppm2 9.086 CV 1 OR { 169} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HN )) ASSI { 170} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 50 and name HN )) 2.600 0.900 0.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.48001E-02 ppm1 3.246 ppm2 9.083 CV 1 OR { 170} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 149 and name HN )) OR { 170} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 49 and name HN )) ASSI { 172} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HN )) 2.100 0.600 0.600 peak 172 spectrum 1 weight 0.10000E+01 volume 0.44387E-02 ppm1 3.108 ppm2 9.079 CV 1 OR { 172} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 149 and name HN )) OR { 172} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 50 and name HN )) ASSI { 175} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HN )) 2.700 0.900 0.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.19088E-02 ppm1 2.816 ppm2 9.105 CV 1 OR { 175} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HN )) ASSI { 180} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 49 and name HN )) 3.200 1.300 1.300 peak 180 spectrum 1 weight 0.10000E+01 volume 0.77965E-03 ppm1 1.924 ppm2 9.090 CV 1 OR { 180} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 149 and name HN )) ASSI { 181} ( segid " " and resid 52 and name HB% ) (( segid " " and resid 49 and name HN )) 6.000 5.000 0.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.20085E-04 ppm1 1.815 ppm2 9.081 CV 1 OR { 181} ( segid " " and resid 152 and name HB% ) (( segid " " and resid 150 and name HN )) OR { 181} ( segid " " and resid 52 and name HB% ) (( segid " " and resid 50 and name HN )) ASSI { 182} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HN )) 2.200 0.600 0.600 peak 182 spectrum 1 weight 0.10000E+01 volume 0.52165E-02 ppm1 1.659 ppm2 9.086 CV 1 OR { 182} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HN )) ASSI { 183} ( segid " " and resid 151 and name HB% ) (( segid " " and resid 150 and name HN )) 4.000 2.000 2.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.10787E-02 ppm1 1.559 ppm2 9.088 CV 1 OR { 183} ( segid " " and resid 51 and name HB% ) (( segid " " and resid 50 and name HN )) ASSI { 184} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 50 and name HN )) 3.000 1.200 1.200 peak 184 spectrum 1 weight 0.10000E+01 volume 0.47884E-02 ppm1 1.401 ppm2 9.085 CV 1 OR { 184} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 150 and name HN )) ASSI { 185} ( segid " " and resid 147 and name HG2%) (( segid " " and resid 150 and name HN )) 3.900 1.900 1.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.70936E-03 ppm1 1.289 ppm2 9.086 CV 1 OR { 185} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 50 and name HN )) OR { 185} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 49 and name HN )) OR { 185} ( segid " " and resid 147 and name HG2%) (( segid " " and resid 149 and name HN )) ASSI { 187} (( segid " " and resid 50 and name HG1 )) (( segid " " and resid 50 and name HN )) 2.700 0.900 0.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.29418E-02 ppm1 1.261 ppm2 9.083 CV 1 OR { 187} (( segid " " and resid 150 and name HG1 )) (( segid " " and resid 150 and name HN )) OR { 187} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 50 and name HN )) OR { 187} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HN )) ASSI { 188} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 149 and name HN )) 3.200 1.300 1.300 peak 188 spectrum 1 weight 0.10000E+01 volume 0.12446E-02 ppm1 1.060 ppm2 9.077 CV 1 OR { 188} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 150 and name HN )) ASSI { 189} ( segid " " and resid 72 and name HD1%) (( segid " " and resid 149 and name HN )) 3.200 1.300 1.300 peak 189 spectrum 1 weight 0.10000E+01 volume 0.82349E-03 ppm1 0.875 ppm2 9.079 CV 1 OR { 189} ( segid " " and resid 172 and name HD1%) (( segid " " and resid 49 and name HN )) ASSI { 191} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 141 and name HN )) 2.800 2.800 3.200 peak 191 spectrum 1 weight 0.10000E+01 volume 0.29814E-02 ppm1 0.718 ppm2 9.097 CV 1 OR { 191} ( segid " " and resid 134 and name HG2%) (( segid " " and resid 41 and name HN )) ASSI { 192} ( segid " " and resid 137 and name HG2%) (( segid " " and resid 41 and name HN )) 3.100 3.100 2.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.12231E-02 ppm1 0.658 ppm2 9.104 CV 1 OR { 192} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 141 and name HN )) ASSI { 193} ( segid " " and resid 160 and name HD1%) (( segid " " and resid 150 and name HN )) 2.300 2.300 3.700 peak 193 spectrum 1 weight 0.10000E+01 volume 0.23169E-02 ppm1 0.512 ppm2 9.085 CV 1 OR { 193} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 50 and name HN )) OR { 193} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 41 and name HN )) ASSI { 195} (( segid " " and resid 164 and name HA )) (( segid " " and resid 164 and name HN )) 2.400 0.700 0.700 peak 195 spectrum 1 weight 0.10000E+01 volume 0.25150E-02 ppm1 3.392 ppm2 8.953 CV 1 OR { 195} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HN )) ASSI { 196} (( segid " " and resid 160 and name HA )) (( segid " " and resid 164 and name HN )) 4.800 2.900 1.200 peak 196 spectrum 1 weight 0.10000E+01 volume 0.20731E-03 ppm1 3.145 ppm2 8.948 CV 1 OR { 196} (( segid " " and resid 60 and name HA )) (( segid " " and resid 64 and name HN )) ASSI { 197} (( segid " " and resid 64 and name HB )) (( segid " " and resid 64 and name HN )) 2.200 0.600 0.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.56117E-02 ppm1 2.107 ppm2 8.951 CV 1 OR { 197} (( segid " " and resid 164 and name HB )) (( segid " " and resid 164 and name HN )) ASSI { 198} (( segid " " and resid 163 and name HB )) (( segid " " and resid 164 and name HN )) 2.400 0.700 0.700 peak 198 spectrum 1 weight 0.10000E+01 volume 0.24707E-02 ppm1 1.647 ppm2 8.946 CV 1 OR { 198} (( segid " " and resid 63 and name HB )) (( segid " " and resid 64 and name HN )) ASSI { 204} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HN )) 2.900 1.100 1.100 peak 204 spectrum 1 weight 0.10000E+01 volume 0.20170E-02 ppm1 3.845 ppm2 8.922 CV 1 OR { 204} (( segid " " and resid 161 and name HA )) (( segid " " and resid 164 and name HN )) ASSI { 211} (( segid " " and resid 34 and name HA )) (( segid " " and resid 143 and name HN )) 2.900 1.000 1.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.20279E-02 ppm1 4.502 ppm2 8.831 CV 1 OR { 211} (( segid " " and resid 134 and name HA )) (( segid " " and resid 43 and name HN )) ASSI { 213} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HN )) 2.100 0.600 0.600 peak 213 spectrum 1 weight 0.10000E+01 volume 0.91357E-02 ppm1 3.891 ppm2 8.824 CV 1 OR { 213} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HN )) OR { 213} (( segid " " and resid 143 and name HA )) (( segid " " and resid 146 and name HN )) ASSI { 214} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HN )) 2.500 0.800 0.800 peak 214 spectrum 1 weight 0.10000E+01 volume 0.33784E-02 ppm1 3.876 ppm2 8.835 CV 1 OR { 214} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HN )) OR { 214} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HN )) OR { 214} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HN )) ASSI { 215} (( segid " " and resid 146 and name HB1 )) (( segid " " and resid 146 and name HN )) 2.700 0.900 0.900 peak 215 spectrum 1 weight 0.10000E+01 volume 0.35305E-02 ppm1 3.369 ppm2 8.830 CV 1 OR { 215} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HN )) ASSI { 218} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HN )) 2.200 0.600 0.600 peak 218 spectrum 1 weight 0.10000E+01 volume 0.37630E-02 ppm1 2.962 ppm2 8.842 CV 1 OR { 218} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HN )) ASSI { 219} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 143 and name HN )) 2.300 0.700 0.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.30677E-02 ppm1 2.840 ppm2 8.819 CV 1 OR { 219} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 43 and name HN )) ASSI { 221} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 43 and name HN )) 3.400 1.500 1.500 peak 221 spectrum 1 weight 0.10000E+01 volume 0.27535E-02 ppm1 2.739 ppm2 8.819 CV 1 OR { 221} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 143 and name HN )) ASSI { 222} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HN )) 2.100 0.500 0.500 peak 222 spectrum 1 weight 0.10000E+01 volume 0.72944E-02 ppm1 2.103 ppm2 8.819 CV 1 OR { 222} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HN )) OR { 222} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 143 and name HN )) OR { 222} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HN )) ASSI { 225} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 46 and name HN )) 5.100 3.300 0.900 peak 225 spectrum 1 weight 0.10000E+01 volume 0.22003E-03 ppm1 1.485 ppm2 8.829 CV 1 OR { 225} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 146 and name HN )) OR { 225} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 46 and name HN )) OR { 225} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 146 and name HN )) ASSI { 227} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 143 and name HN )) 5.600 4.000 0.400 peak 227 spectrum 1 weight 0.10000E+01 volume 0.11046E-03 ppm1 0.717 ppm2 8.841 CV 1 OR { 227} ( segid " " and resid 134 and name HG2%) (( segid " " and resid 43 and name HN )) ASSI { 229} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 43 and name HN )) 3.100 1.200 1.200 peak 229 spectrum 1 weight 0.10000E+01 volume 0.61367E-02 ppm1 2.284 ppm2 8.793 CV 1 OR { 229} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HN )) OR { 229} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 43 and name HN )) OR { 229} (( segid " " and resid 143 and name HG1 )) (( segid " " and resid 143 and name HN )) ASSI { 232} (( segid " " and resid 147 and name HB )) (( segid " " and resid 147 and name HN )) 2.200 0.600 0.600 peak 232 spectrum 1 weight 0.10000E+01 volume 0.69629E-02 ppm1 4.426 ppm2 8.730 CV 1 OR { 232} (( segid " " and resid 47 and name HB )) (( segid " " and resid 47 and name HN )) ASSI { 233} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 60 and name HN )) 2.900 1.000 1.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.21518E-02 ppm1 4.112 ppm2 8.760 CV 1 OR { 233} (( segid " " and resid 159 and name HB1 )) (( segid " " and resid 160 and name HN )) OR { 233} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HN )) OR { 233} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 160 and name HN )) ASSI { 235} (( segid " " and resid 161 and name HA )) (( segid " " and resid 160 and name HN )) 3.400 1.400 1.400 peak 235 spectrum 1 weight 0.10000E+01 volume 0.23028E-02 ppm1 3.837 ppm2 8.746 CV 1 OR { 235} (( segid " " and resid 61 and name HA )) (( segid " " and resid 60 and name HN )) ASSI { 239} (( segid " " and resid 160 and name HB )) (( segid " " and resid 160 and name HN )) 2.300 0.700 0.700 peak 239 spectrum 1 weight 0.10000E+01 volume 0.38761E-02 ppm1 1.631 ppm2 8.745 CV 1 OR { 239} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HN )) ASSI { 246} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HN )) 2.200 0.600 0.600 peak 246 spectrum 1 weight 0.10000E+01 volume 0.76702E-02 ppm1 4.189 ppm2 8.727 CV 1 OR { 246} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HN )) OR { 246} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HN )) ASSI { 247} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HN )) 2.600 0.800 0.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.28806E-02 ppm1 3.653 ppm2 8.725 CV 1 OR { 247} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HN )) ASSI { 250} ( segid " " and resid 147 and name HG2%) (( segid " " and resid 147 and name HN )) 3.400 1.400 1.400 peak 250 spectrum 1 weight 0.10000E+01 volume 0.27413E-02 ppm1 1.292 ppm2 8.728 CV 1 OR { 250} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 47 and name HN )) ASSI { 251} (( segid " " and resid 130 and name HA )) (( segid " " and resid 131 and name HN )) 2.300 0.700 0.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.64027E-02 ppm1 4.553 ppm2 8.655 CV 1 OR { 251} (( segid " " and resid 30 and name HA )) (( segid " " and resid 31 and name HN )) ASSI { 252} (( segid " " and resid 65 and name HA )) (( segid " " and resid 68 and name HN )) 3.100 1.200 1.200 peak 252 spectrum 1 weight 0.10000E+01 volume 0.10490E-02 ppm1 3.916 ppm2 8.674 CV 1 OR { 252} (( segid " " and resid 165 and name HA )) (( segid " " and resid 168 and name HN )) ASSI { 253} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HN )) 2.400 0.700 0.700 peak 253 spectrum 1 weight 0.10000E+01 volume 0.31006E-02 ppm1 3.285 ppm2 8.678 CV 1 OR { 253} (( segid " " and resid 168 and name HA )) (( segid " " and resid 168 and name HN )) ASSI { 254} (( segid " " and resid 168 and name HB )) (( segid " " and resid 168 and name HN )) 2.100 0.600 0.600 peak 254 spectrum 1 weight 0.10000E+01 volume 0.66349E-02 ppm1 1.922 ppm2 8.685 CV 1 OR { 254} (( segid " " and resid 68 and name HB )) (( segid " " and resid 68 and name HN )) ASSI { 255} ( segid " " and resid 164 and name HG1%) (( segid " " and resid 168 and name HN )) 4.100 2.100 1.900 peak 255 spectrum 1 weight 0.10000E+01 volume 0.41533E-03 ppm1 1.139 ppm2 8.660 CV 1 OR { 255} ( segid " " and resid 164 and name HG1%) (( segid " " and resid 68 and name HN )) OR { 255} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 68 and name HN )) ASSI { 256} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 68 and name HN )) 3.300 1.400 1.400 peak 256 spectrum 1 weight 0.10000E+01 volume 0.14254E-02 ppm1 0.949 ppm2 8.673 CV 1 OR { 256} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 168 and name HN )) OR { 256} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 168 and name HN )) ASSI { 257} ( segid " " and resid 168 and name HG2%) (( segid " " and resid 168 and name HN )) 2.300 0.700 0.700 peak 257 spectrum 1 weight 0.10000E+01 volume 0.78332E-02 ppm1 0.614 ppm2 8.680 CV 1 OR { 257} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HN )) ASSI { 258} ( segid " " and resid 168 and name HG1%) (( segid " " and resid 168 and name HN )) 2.900 1.100 1.100 peak 258 spectrum 1 weight 0.10000E+01 volume 0.26865E-02 ppm1 0.053 ppm2 8.687 CV 1 OR { 258} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HN )) ASSI { 259} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HN )) 3.300 1.300 1.300 peak 259 spectrum 1 weight 0.10000E+01 volume 0.14315E-02 ppm1 3.972 ppm2 8.623 CV 1 OR { 259} (( segid " " and resid 131 and name HB1 )) (( segid " " and resid 131 and name HN )) ASSI { 260} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HN )) 2.600 0.800 0.800 peak 260 spectrum 1 weight 0.10000E+01 volume 0.42082E-02 ppm1 3.930 ppm2 8.619 CV 1 OR { 260} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 131 and name HN )) OR { 260} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 31 and name HN )) OR { 260} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 131 and name HN )) OR { 260} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 131 and name HN )) ASSI { 265} (( segid " " and resid 36 and name HA )) (( segid " " and resid 37 and name HN )) 1.900 0.400 0.400 peak 265 spectrum 1 weight 0.10000E+01 volume 0.15547E-01 ppm1 4.593 ppm2 8.592 CV 1 OR { 265} (( segid " " and resid 136 and name HA )) (( segid " " and resid 137 and name HN )) ASSI { 266} (( segid " " and resid 131 and name HA )) (( segid " " and resid 132 and name HN )) 2.300 0.700 0.700 peak 266 spectrum 1 weight 0.10000E+01 volume 0.63205E-02 ppm1 4.506 ppm2 8.593 CV 1 OR { 266} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HN )) OR { 266} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HN )) ASSI { 268} (( segid " " and resid 117 and name HA )) (( segid " " and resid 118 and name HN )) 2.400 0.700 0.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.53685E-02 ppm1 4.277 ppm2 8.599 CV 1 OR { 268} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 269} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HN )) 2.200 0.600 0.600 peak 269 spectrum 1 weight 0.10000E+01 volume 0.52420E-02 ppm1 4.171 ppm2 8.583 CV 1 OR { 269} (( segid " " and resid 167 and name HA )) (( segid " " and resid 167 and name HN )) ASSI { 272} (( segid " " and resid 66 and name HG1 )) (( segid " " and resid 67 and name HN )) 4.400 2.400 1.600 peak 272 spectrum 1 weight 0.10000E+01 volume 0.31235E-03 ppm1 2.569 ppm2 8.587 CV 1 OR { 272} (( segid " " and resid 166 and name HG2 )) (( segid " " and resid 167 and name HN )) ASSI { 273} (( segid " " and resid 166 and name HG1 )) (( segid " " and resid 167 and name HN )) 5.100 3.200 0.900 peak 273 spectrum 1 weight 0.10000E+01 volume 0.13931E-03 ppm1 2.436 ppm2 8.596 CV 1 OR { 273} (( segid " " and resid 66 and name HG2 )) (( segid " " and resid 67 and name HN )) ASSI { 277} (( segid " " and resid 137 and name HB )) (( segid " " and resid 137 and name HN )) 2.200 0.600 0.600 peak 277 spectrum 1 weight 0.10000E+01 volume 0.65683E-02 ppm1 2.215 ppm2 8.587 CV 1 OR { 277} (( segid " " and resid 37 and name HB )) (( segid " " and resid 37 and name HN )) ASSI { 278} (( segid " " and resid 67 and name HG )) (( segid " " and resid 67 and name HN )) 1.700 0.300 0.500 peak 278 spectrum 1 weight 0.10000E+01 volume 0.43532E-02 ppm1 2.021 ppm2 8.587 CV 1 OR { 278} (( segid " " and resid 167 and name HG )) (( segid " " and resid 167 and name HN )) ASSI { 279} (( segid " " and resid 39 and name HB )) (( segid " " and resid 137 and name HN )) 4.600 2.600 1.400 peak 279 spectrum 1 weight 0.10000E+01 volume 0.11299E-03 ppm1 1.802 ppm2 8.585 CV 1 OR { 279} (( segid " " and resid 139 and name HB )) (( segid " " and resid 37 and name HN )) ASSI { 282} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 67 and name HN )) 2.500 0.800 0.800 peak 282 spectrum 1 weight 0.10000E+01 volume 0.79263E-02 ppm1 1.080 ppm2 8.575 CV 1 OR { 282} ( segid " " and resid 167 and name HD1%) (( segid " " and resid 167 and name HN )) ASSI { 283} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 137 and name HN )) 3.600 1.700 1.700 peak 283 spectrum 1 weight 0.10000E+01 volume 0.13848E-02 ppm1 0.771 ppm2 8.563 CV 1 OR { 283} ( segid " " and resid 139 and name HG1%) (( segid " " and resid 37 and name HN )) OR { 283} ( segid " " and resid 139 and name HG1%) (( segid " " and resid 67 and name HN )) OR { 283} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 167 and name HN )) ASSI { 284} ( segid " " and resid 167 and name HD2%) (( segid " " and resid 167 and name HN )) 2.600 0.800 0.800 peak 284 spectrum 1 weight 0.10000E+01 volume 0.64673E-02 ppm1 0.567 ppm2 8.584 CV 1 OR { 284} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 67 and name HN )) ASSI { 285} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 37 and name HN )) 6.000 5.900 0.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.19333E-04 ppm1 0.473 ppm2 8.582 CV 1 OR { 285} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 137 and name HN )) OR { 285} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 37 and name HN )) OR { 285} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 67 and name HN )) OR { 285} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 167 and name HN )) ASSI { 286} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 67 and name HN )) 3.700 3.700 2.300 peak 286 spectrum 1 weight 0.10000E+01 volume 0.95309E-03 ppm1 -0.195 ppm2 8.594 CV 1 OR { 286} ( segid " " and resid 163 and name HG2%) (( segid " " and resid 167 and name HN )) ASSI { 291} (( segid " " and resid 168 and name HA )) (( segid " " and resid 171 and name HN )) 2.700 0.900 0.900 peak 291 spectrum 1 weight 0.10000E+01 volume 0.33073E-02 ppm1 3.282 ppm2 8.542 CV 1 OR { 291} (( segid " " and resid 68 and name HA )) (( segid " " and resid 71 and name HN )) OR { 291} (( segid " " and resid 68 and name HA )) (( segid " " and resid 167 and name HN )) OR { 291} (( segid " " and resid 168 and name HA )) (( segid " " and resid 67 and name HN )) ASSI { 292} (( segid " " and resid 170 and name HB2 )) (( segid " " and resid 171 and name HN )) 2.400 0.700 0.700 peak 292 spectrum 1 weight 0.10000E+01 volume 0.28039E-02 ppm1 3.084 ppm2 8.537 CV 1 OR { 292} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 71 and name HN )) ASSI { 294} ( segid " " and resid 137 and name HG2%) (( segid " " and resid 137 and name HN )) 2.400 2.400 3.600 peak 294 spectrum 1 weight 0.10000E+01 volume 0.64150E-02 ppm1 0.657 ppm2 8.549 CV 1 OR { 294} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 37 and name HN )) ASSI { 295} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HN )) 2.500 0.800 0.800 peak 295 spectrum 1 weight 0.10000E+01 volume 0.37898E-02 ppm1 4.553 ppm2 8.498 CV 1 OR { 295} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HN )) OR { 295} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HN )) OR { 295} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HN )) ASSI { 296} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HN )) 1.900 0.500 0.500 peak 296 spectrum 1 weight 0.10000E+01 volume 0.17603E-01 ppm1 4.530 ppm2 8.481 CV 1 OR { 296} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HN )) ASSI { 298} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HN )) 2.300 0.700 0.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.55300E-02 ppm1 4.192 ppm2 8.501 CV 1 OR { 298} (( segid " " and resid 171 and name HA )) (( segid " " and resid 171 and name HN )) ASSI { 299} (( segid " " and resid 37 and name HA )) (( segid " " and resid 38 and name HN )) 1.800 0.400 0.400 peak 299 spectrum 1 weight 0.10000E+01 volume 0.18885E-01 ppm1 4.146 ppm2 8.489 CV 1 OR { 299} (( segid " " and resid 137 and name HA )) (( segid " " and resid 138 and name HN )) ASSI { 300} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HN )) 2.500 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.42067E-02 ppm1 3.927 ppm2 8.501 CV 1 OR { 300} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HN )) OR { 300} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HN )) OR { 300} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HN )) OR { 300} (( segid " " and resid 109 and name HB1 )) (( segid " " and resid 109 and name HN )) ASSI { 301} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 109 and name HN )) 2.700 0.900 0.900 peak 301 spectrum 1 weight 0.10000E+01 volume 0.31317E-02 ppm1 3.867 ppm2 8.487 CV 1 OR { 301} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HN )) ASSI { 306} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 38 and name HN )) 2.900 2.900 3.100 peak 306 spectrum 1 weight 0.10000E+01 volume 0.37610E-02 ppm1 1.827 ppm2 8.499 CV 1 OR { 306} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 138 and name HN )) OR { 306} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 38 and name HN )) OR { 306} (( segid " " and resid 136 and name HB1 )) (( segid " " and resid 138 and name HN )) ASSI { 308} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HN )) 2.300 0.600 0.600 peak 308 spectrum 1 weight 0.10000E+01 volume 0.78173E-02 ppm1 1.611 ppm2 8.484 CV 1 OR { 308} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 136 and name HN )) OR { 308} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 36 and name HN )) OR { 308} (( segid " " and resid 136 and name HG1 )) (( segid " " and resid 136 and name HN )) ASSI { 310} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 136 and name HN )) 2.600 0.800 0.800 peak 310 spectrum 1 weight 0.10000E+01 volume 0.30862E-02 ppm1 1.479 ppm2 8.485 CV 1 OR { 310} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 36 and name HN )) OR { 310} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HN )) ASSI { 311} (( segid " " and resid 35 and name HD2 )) (( segid " " and resid 36 and name HN )) 4.400 2.400 1.600 peak 311 spectrum 1 weight 0.10000E+01 volume 0.48236E-03 ppm1 1.427 ppm2 8.491 CV 1 OR { 311} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 136 and name HN )) ASSI { 312} (( segid " " and resid 135 and name HG1 )) (( segid " " and resid 136 and name HN )) 4.200 2.200 1.800 peak 312 spectrum 1 weight 0.10000E+01 volume 0.99825E-03 ppm1 1.211 ppm2 8.490 CV 1 OR { 312} (( segid " " and resid 35 and name HG1 )) (( segid " " and resid 36 and name HN )) ASSI { 314} ( segid " " and resid 137 and name HG1%) (( segid " " and resid 138 and name HN )) 2.200 2.200 3.800 peak 314 spectrum 1 weight 0.10000E+01 volume 0.65433E-02 ppm1 0.827 ppm2 8.498 CV 1 OR { 314} ( segid " " and resid 37 and name HG1%) (( segid " " and resid 38 and name HN )) ASSI { 316} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HN )) 2.600 0.800 0.800 peak 316 spectrum 1 weight 0.10000E+01 volume 0.32380E-02 ppm1 3.978 ppm2 8.454 CV 1 OR { 316} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HN )) ASSI { 318} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 136 and name HN )) 3.500 1.500 1.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.55985E-03 ppm1 3.183 ppm2 8.470 CV 1 OR { 318} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 36 and name HN )) ASSI { 320} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 115 and name HN )) 3.500 1.500 1.500 peak 320 spectrum 1 weight 0.10000E+01 volume 0.12441E-02 ppm1 3.036 ppm2 8.441 CV 1 OR { 320} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HN )) OR { 320} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 16 and name HN )) ASSI { 321} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HN )) 2.900 1.000 1.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.25947E-02 ppm1 2.798 ppm2 8.458 CV 1 OR { 321} (( segid " " and resid 153 and name HB2 )) (( segid " " and resid 153 and name HN )) ASSI { 324} ( segid " " and resid 152 and name HB% ) (( segid " " and resid 153 and name HN )) 2.200 2.200 3.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.73907E-02 ppm1 1.821 ppm2 8.456 CV 1 OR { 324} ( segid " " and resid 52 and name HB% ) (( segid " " and resid 53 and name HN )) ASSI { 325} ( segid " " and resid 54 and name HB% ) (( segid " " and resid 53 and name HN )) 3.700 1.700 1.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.20464E-02 ppm1 1.542 ppm2 8.453 CV 1 OR { 325} ( segid " " and resid 154 and name HB% ) (( segid " " and resid 153 and name HN )) ASSI { 326} (( segid " " and resid 135 and name HD2 )) (( segid " " and resid 136 and name HN )) 4.400 2.400 1.600 peak 326 spectrum 1 weight 0.10000E+01 volume 0.49231E-03 ppm1 1.533 ppm2 8.463 CV 1 OR { 326} (( segid " " and resid 35 and name HD1 )) (( segid " " and resid 36 and name HN )) ASSI { 328} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 9 and name HN )) 6.000 4.700 0.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.57670E-04 ppm1 1.133 ppm2 8.456 CV 1 OR { 328} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 109 and name HN )) ASSI { 329} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 36 and name HN )) 4.900 3.000 1.100 peak 329 spectrum 1 weight 0.10000E+01 volume 0.34615E-03 ppm1 0.944 ppm2 8.473 CV 1 OR { 329} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 136 and name HN )) ASSI { 330} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HN )) 2.600 0.900 0.900 peak 330 spectrum 1 weight 0.10000E+01 volume 0.31532E-02 ppm1 4.652 ppm2 8.434 CV 1 OR { 330} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HN )) OR { 330} (( segid " " and resid 115 and name HA )) (( segid " " and resid 116 and name HN )) OR { 330} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HN )) ASSI { 331} (( segid " " and resid 111 and name HA )) (( segid " " and resid 112 and name HN )) 1.900 0.400 0.400 peak 331 spectrum 1 weight 0.10000E+01 volume 0.22391E-01 ppm1 4.305 ppm2 8.416 CV 1 OR { 331} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HN )) OR { 331} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HN )) OR { 331} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HN )) ASSI { 332} (( segid " " and resid 124 and name HA )) (( segid " " and resid 125 and name HN )) 1.600 0.300 0.600 peak 332 spectrum 1 weight 0.10000E+01 volume 0.40983E-01 ppm1 4.116 ppm2 8.413 CV 1 OR { 332} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HN )) OR { 332} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HN )) OR { 332} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HN )) ASSI { 333} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 15 and name HN )) 3.600 1.600 1.600 peak 333 spectrum 1 weight 0.10000E+01 volume 0.50676E-03 ppm1 3.187 ppm2 8.435 CV 1 OR { 333} (( segid " " and resid 115 and name HB1 )) (( segid " " and resid 115 and name HN )) OR { 333} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 16 and name HN )) ASSI { 336} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HN )) 2.200 0.600 0.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.85614E-02 ppm1 1.802 ppm2 8.405 CV 1 OR { 336} (( segid " " and resid 111 and name HB1 )) (( segid " " and resid 111 and name HN )) OR { 336} (( segid " " and resid 111 and name HB1 )) (( segid " " and resid 112 and name HN )) ASSI { 337} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HN )) 2.900 1.000 1.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.22286E-02 ppm1 1.750 ppm2 8.409 CV 1 OR { 337} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 119 and name HN )) OR { 337} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 20 and name HN )) ASSI { 338} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HN )) 2.400 0.700 0.700 peak 338 spectrum 1 weight 0.10000E+01 volume 0.82381E-02 ppm1 0.948 ppm2 8.404 CV 1 OR { 338} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 25 and name HN )) OR { 338} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 125 and name HN )) OR { 338} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 25 and name HN )) OR { 338} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 25 and name HN )) ASSI { 341} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HN )) 2.700 0.900 0.900 peak 341 spectrum 1 weight 0.10000E+01 volume 0.29061E-02 ppm1 4.573 ppm2 8.389 CV 1 OR { 341} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HN )) ASSI { 342} (( segid " " and resid 26 and name HA )) (( segid " " and resid 27 and name HN )) 1.900 0.400 0.400 peak 342 spectrum 1 weight 0.10000E+01 volume 0.20732E-01 ppm1 4.322 ppm2 8.368 CV 1 OR { 342} (( segid " " and resid 126 and name HA )) (( segid " " and resid 127 and name HN )) ASSI { 345} (( segid " " and resid 16 and name HA2 )) (( segid " " and resid 15 and name HN )) 3.600 1.600 1.600 peak 345 spectrum 1 weight 0.10000E+01 volume 0.31171E-02 ppm1 3.959 ppm2 8.371 CV 1 OR { 345} (( segid " " and resid 116 and name HA1 )) (( segid " " and resid 115 and name HN )) ASSI { 346} (( segid " " and resid 16 and name HA1 )) (( segid " " and resid 19 and name HN )) 3.000 3.000 3.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.29500E-02 ppm1 3.874 ppm2 8.357 CV 1 OR { 346} (( segid " " and resid 116 and name HA2 )) (( segid " " and resid 119 and name HN )) ASSI { 348} (( segid " " and resid 125 and name HB )) (( segid " " and resid 125 and name HN )) 2.200 0.600 0.600 peak 348 spectrum 1 weight 0.10000E+01 volume 0.13636E-01 ppm1 2.082 ppm2 8.381 CV 1 OR { 348} (( segid " " and resid 25 and name HB )) (( segid " " and resid 25 and name HN )) OR { 348} (( segid " " and resid 110 and name HB )) (( segid " " and resid 111 and name HN )) OR { 348} (( segid " " and resid 10 and name HB )) (( segid " " and resid 11 and name HN )) OR { 348} (( segid " " and resid 24 and name HB )) (( segid " " and resid 25 and name HN )) ASSI { 350} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HN )) 2.700 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.36468E-02 ppm1 1.757 ppm2 8.388 CV 1 OR { 350} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HN )) OR { 350} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HN )) OR { 350} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HN )) OR { 350} (( segid " " and resid 112 and name HB1 )) (( segid " " and resid 112 and name HN )) OR { 350} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HN )) OR { 350} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 133 and name HN )) ASSI { 351} (( segid " " and resid 112 and name HG1 )) (( segid " " and resid 112 and name HN )) 2.800 1.000 1.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.35452E-02 ppm1 1.476 ppm2 8.359 CV 1 OR { 351} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HN )) OR { 351} (( segid " " and resid 111 and name HG1 )) (( segid " " and resid 111 and name HN )) OR { 351} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HN )) OR { 351} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 12 and name HN )) ASSI { 352} (( segid " " and resid 112 and name HG2 )) (( segid " " and resid 112 and name HN )) 2.900 1.100 1.100 peak 352 spectrum 1 weight 0.10000E+01 volume 0.32483E-02 ppm1 1.410 ppm2 8.371 CV 1 OR { 352} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HN )) OR { 352} (( segid " " and resid 5 and name HG2 )) (( segid " " and resid 5 and name HN )) OR { 352} (( segid " " and resid 105 and name HG2 )) (( segid " " and resid 105 and name HN )) OR { 352} (( segid " " and resid 5 and name HG1 )) (( segid " " and resid 5 and name HN )) OR { 352} (( segid " " and resid 105 and name HG1 )) (( segid " " and resid 105 and name HN )) OR { 352} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HN )) OR { 352} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HN )) ASSI { 354} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 11 and name HN )) 2.800 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.58119E-02 ppm1 0.925 ppm2 8.376 CV 1 OR { 354} ( segid " " and resid 110 and name HG1%) (( segid " " and resid 111 and name HN )) OR { 354} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 11 and name HN )) OR { 354} ( segid " " and resid 110 and name HG2%) (( segid " " and resid 111 and name HN )) ASSI { 355} (( segid " " and resid 128 and name HA )) (( segid " " and resid 129 and name HN )) 1.900 0.400 0.400 peak 355 spectrum 1 weight 0.10000E+01 volume 0.19377E-01 ppm1 4.473 ppm2 8.344 CV 1 OR { 355} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HN )) ASSI { 356} (( segid " " and resid 114 and name HB )) (( segid " " and resid 117 and name HN )) 2.700 2.700 3.300 peak 356 spectrum 1 weight 0.10000E+01 volume 0.59112E-02 ppm1 4.152 ppm2 8.335 CV 1 OR { 356} (( segid " " and resid 14 and name HB )) (( segid " " and resid 17 and name HN )) ASSI { 360} (( segid " " and resid 28 and name HG1 )) (( segid " " and resid 27 and name HN )) 4.100 2.100 1.900 peak 360 spectrum 1 weight 0.10000E+01 volume 0.27421E-03 ppm1 2.034 ppm2 8.336 CV 1 OR { 360} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 127 and name HN )) OR { 360} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 27 and name HN )) OR { 360} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 127 and name HN )) ASSI { 363} (( segid " " and resid 33 and name HD2 )) (( segid " " and resid 33 and name HN )) 4.000 2.000 2.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.98310E-03 ppm1 1.718 ppm2 8.349 CV 1 OR { 363} (( segid " " and resid 133 and name HD2 )) (( segid " " and resid 133 and name HN )) OR { 363} (( segid " " and resid 33 and name HD1 )) (( segid " " and resid 33 and name HN )) OR { 363} (( segid " " and resid 133 and name HD1 )) (( segid " " and resid 133 and name HN )) ASSI { 365} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 27 and name HN )) 3.200 1.300 1.300 peak 365 spectrum 1 weight 0.10000E+01 volume 0.24562E-02 ppm1 1.202 ppm2 8.315 CV 1 OR { 365} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 127 and name HN )) ASSI { 369} (( segid " " and resid 21 and name HA )) (( segid " " and resid 22 and name HN )) 2.000 0.500 0.500 peak 369 spectrum 1 weight 0.10000E+01 volume 0.12320E-01 ppm1 4.281 ppm2 8.274 CV 1 OR { 369} (( segid " " and resid 121 and name HA )) (( segid " " and resid 122 and name HN )) ASSI { 372} (( segid " " and resid 61 and name HB )) (( segid " " and resid 61 and name HN )) 2.200 0.600 0.600 peak 372 spectrum 1 weight 0.10000E+01 volume 0.78493E-02 ppm1 4.080 ppm2 8.291 CV 1 OR { 372} (( segid " " and resid 161 and name HB )) (( segid " " and resid 161 and name HN )) ASSI { 373} (( segid " " and resid 161 and name HA )) (( segid " " and resid 161 and name HN )) 2.400 0.700 0.700 peak 373 spectrum 1 weight 0.10000E+01 volume 0.37363E-02 ppm1 3.846 ppm2 8.285 CV 1 OR { 373} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HN )) ASSI { 374} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HN )) 2.800 1.000 1.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.19330E-02 ppm1 3.151 ppm2 8.272 CV 1 OR { 374} (( segid " " and resid 160 and name HA )) (( segid " " and resid 161 and name HN )) ASSI { 375} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 22 and name HN )) 3.900 1.900 1.900 peak 375 spectrum 1 weight 0.10000E+01 volume 0.12717E-02 ppm1 2.244 ppm2 8.281 CV 1 OR { 375} (( segid " " and resid 122 and name HG2 )) (( segid " " and resid 122 and name HN )) ASSI { 376} (( segid " " and resid 164 and name HB )) (( segid " " and resid 161 and name HN )) 2.900 2.900 3.100 peak 376 spectrum 1 weight 0.10000E+01 volume 0.44618E-03 ppm1 2.098 ppm2 8.282 CV 1 OR { 376} (( segid " " and resid 64 and name HB )) (( segid " " and resid 61 and name HN )) ASSI { 377} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HN )) 2.700 0.900 0.900 peak 377 spectrum 1 weight 0.10000E+01 volume 0.51008E-02 ppm1 2.053 ppm2 8.268 CV 1 OR { 377} (( segid " " and resid 122 and name HB1 )) (( segid " " and resid 122 and name HN )) ASSI { 379} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HN )) 2.400 0.700 0.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.54634E-02 ppm1 1.965 ppm2 8.273 CV 1 OR { 379} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 122 and name HN )) OR { 379} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HN )) OR { 379} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HN )) OR { 379} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HN )) ASSI { 380} ( segid " " and resid 52 and name HB% ) (( segid " " and resid 52 and name HN )) 2.000 0.500 0.500 peak 380 spectrum 1 weight 0.10000E+01 volume 0.11956E-01 ppm1 1.820 ppm2 8.284 CV 1 OR { 380} ( segid " " and resid 152 and name HB% ) (( segid " " and resid 152 and name HN )) ASSI { 384} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 161 and name HN )) 2.900 1.100 1.100 peak 384 spectrum 1 weight 0.10000E+01 volume 0.52220E-02 ppm1 1.268 ppm2 8.290 CV 1 OR { 384} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 61 and name HN )) ASSI { 386} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 122 and name HN )) 4.700 2.800 1.300 peak 386 spectrum 1 weight 0.10000E+01 volume 0.20218E-04 ppm1 0.864 ppm2 8.289 CV 1 OR { 386} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 22 and name HN )) ASSI { 393} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HN )) 2.600 0.800 0.800 peak 393 spectrum 1 weight 0.10000E+01 volume 0.28363E-02 ppm1 4.511 ppm2 8.251 CV 1 OR { 393} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HN )) ASSI { 394} (( segid " " and resid 62 and name HA )) (( segid " " and resid 63 and name HN )) 3.300 1.400 1.400 peak 394 spectrum 1 weight 0.10000E+01 volume 0.98195E-03 ppm1 4.436 ppm2 8.248 CV 1 OR { 394} (( segid " " and resid 162 and name HA )) (( segid " " and resid 163 and name HN )) OR { 394} (( segid " " and resid 62 and name HA )) (( segid " " and resid 61 and name HN )) ASSI { 397} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HN )) 2.500 0.800 0.800 peak 397 spectrum 1 weight 0.10000E+01 volume 0.29248E-02 ppm1 3.520 ppm2 8.257 CV 1 OR { 397} (( segid " " and resid 163 and name HA )) (( segid " " and resid 163 and name HN )) ASSI { 398} (( segid " " and resid 48 and name HD1 )) (( segid " " and resid 52 and name HN )) 2.500 2.500 3.500 peak 398 spectrum 1 weight 0.10000E+01 volume 0.23906E-02 ppm1 3.392 ppm2 8.260 CV 1 OR { 398} (( segid " " and resid 148 and name HD2 )) (( segid " " and resid 152 and name HN )) ASSI { 400} (( segid " " and resid 162 and name HB1 )) (( segid " " and resid 163 and name HN )) 2.900 1.000 1.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.16083E-02 ppm1 2.587 ppm2 8.247 CV 1 OR { 400} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 63 and name HN )) OR { 400} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 61 and name HN )) ASSI { 401} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 52 and name HN )) 3.300 1.300 1.300 peak 401 spectrum 1 weight 0.10000E+01 volume 0.97420E-03 ppm1 2.118 ppm2 8.253 CV 1 OR { 401} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 152 and name HN )) ASSI { 404} (( segid " " and resid 34 and name HB )) (( segid " " and resid 34 and name HN )) 2.100 0.600 0.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.10368E-01 ppm1 1.752 ppm2 8.255 CV 1 OR { 404} (( segid " " and resid 134 and name HB )) (( segid " " and resid 134 and name HN )) ASSI { 405} (( segid " " and resid 63 and name HB )) (( segid " " and resid 63 and name HN )) 2.500 0.800 0.800 peak 405 spectrum 1 weight 0.10000E+01 volume 0.58281E-02 ppm1 1.650 ppm2 8.251 CV 1 OR { 405} (( segid " " and resid 163 and name HB )) (( segid " " and resid 163 and name HN )) ASSI { 406} (( segid " " and resid 34 and name HG11)) (( segid " " and resid 34 and name HN )) 2.600 0.800 0.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.35331E-02 ppm1 1.424 ppm2 8.255 CV 1 OR { 406} (( segid " " and resid 134 and name HG12)) (( segid " " and resid 134 and name HN )) ASSI { 407} (( segid " " and resid 134 and name HG11)) (( segid " " and resid 134 and name HN )) 2.500 0.800 0.800 peak 407 spectrum 1 weight 0.10000E+01 volume 0.37856E-02 ppm1 1.212 ppm2 8.257 CV 1 OR { 407} (( segid " " and resid 34 and name HG12)) (( segid " " and resid 34 and name HN )) ASSI { 410} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 24 and name HN )) 2.500 0.800 0.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.77845E-02 ppm1 0.953 ppm2 8.230 CV 1 OR { 410} ( segid " " and resid 124 and name HG1%) (( segid " " and resid 124 and name HN )) OR { 410} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 126 and name HN )) OR { 410} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 26 and name HN )) OR { 410} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 26 and name HN )) ASSI { 411} ( segid " " and resid 110 and name HG2%) (( segid " " and resid 110 and name HN )) 2.700 0.900 0.900 peak 411 spectrum 1 weight 0.10000E+01 volume 0.27794E-02 ppm1 0.916 ppm2 8.228 CV 1 OR { 411} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 10 and name HN )) OR { 411} ( segid " " and resid 110 and name HG1%) (( segid " " and resid 110 and name HN )) ASSI { 412} ( segid " " and resid 72 and name HD1%) (( segid " " and resid 152 and name HN )) 3.300 3.300 2.700 peak 412 spectrum 1 weight 0.10000E+01 volume 0.10132E-02 ppm1 0.873 ppm2 8.249 CV 1 OR { 412} ( segid " " and resid 72 and name HD1%) (( segid " " and resid 163 and name HN )) ASSI { 414} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 134 and name HN )) 3.100 1.200 1.200 peak 414 spectrum 1 weight 0.10000E+01 volume 0.22573E-02 ppm1 0.736 ppm2 8.258 CV 1 OR { 414} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 34 and name HN )) ASSI { 417} (( segid " " and resid 169 and name HA )) (( segid " " and resid 169 and name HN )) 2.300 0.700 0.700 peak 417 spectrum 1 weight 0.10000E+01 volume 0.57476E-02 ppm1 4.384 ppm2 8.195 CV 1 OR { 417} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HN )) ASSI { 420} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HN )) 2.600 0.800 0.800 peak 420 spectrum 1 weight 0.10000E+01 volume 0.32618E-02 ppm1 4.113 ppm2 8.212 CV 1 OR { 420} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HN )) OR { 420} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HN )) OR { 420} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HN )) ASSI { 422} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HN )) 3.600 1.700 1.700 peak 422 spectrum 1 weight 0.10000E+01 volume 0.34597E-03 ppm1 3.286 ppm2 8.196 CV 1 OR { 422} (( segid " " and resid 168 and name HA )) (( segid " " and resid 169 and name HN )) ASSI { 425} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 69 and name HN )) 2.600 0.800 0.800 peak 425 spectrum 1 weight 0.10000E+01 volume 0.60873E-02 ppm1 2.667 ppm2 8.197 CV 1 OR { 425} (( segid " " and resid 169 and name HB1 )) (( segid " " and resid 169 and name HN )) OR { 425} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 63 and name HN )) ASSI { 427} (( segid " " and resid 68 and name HB )) (( segid " " and resid 69 and name HN )) 2.500 0.800 0.800 peak 427 spectrum 1 weight 0.10000E+01 volume 0.39228E-02 ppm1 1.921 ppm2 8.202 CV 1 OR { 427} (( segid " " and resid 168 and name HB )) (( segid " " and resid 169 and name HN )) ASSI { 437} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HN )) 2.700 0.900 0.900 peak 437 spectrum 1 weight 0.10000E+01 volume 0.30372E-02 ppm1 1.763 ppm2 8.178 CV 1 OR { 437} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 123 and name HN )) OR { 437} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 23 and name HN )) OR { 437} (( segid " " and resid 123 and name HB1 )) (( segid " " and resid 123 and name HN )) OR { 437} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 24 and name HN )) OR { 437} (( segid " " and resid 123 and name HB1 )) (( segid " " and resid 124 and name HN )) ASSI { 438} ( segid " " and resid 167 and name HD1%) (( segid " " and resid 169 and name HN )) 6.000 5.800 0.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.21384E-04 ppm1 1.077 ppm2 8.169 CV 1 OR { 438} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 169 and name HN )) OR { 438} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 69 and name HN )) ASSI { 439} (( segid " " and resid 120 and name HA )) (( segid " " and resid 121 and name HN )) 2.200 0.600 0.600 peak 439 spectrum 1 weight 0.10000E+01 volume 0.87211E-02 ppm1 4.573 ppm2 8.108 CV 1 OR { 439} (( segid " " and resid 20 and name HA )) (( segid " " and resid 21 and name HN )) ASSI { 441} (( segid " " and resid 19 and name HG2 )) (( segid " " and resid 21 and name HN )) 2.600 0.800 0.800 peak 441 spectrum 1 weight 0.10000E+01 volume 0.37918E-02 ppm1 1.630 ppm2 8.119 CV 1 OR { 441} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 121 and name HN )) OR { 441} (( segid " " and resid 19 and name HG1 )) (( segid " " and resid 21 and name HN )) OR { 441} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 121 and name HN )) ASSI { 443} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HN )) 2.400 0.700 0.700 peak 443 spectrum 1 weight 0.10000E+01 volume 0.45329E-02 ppm1 4.282 ppm2 8.097 CV 1 OR { 443} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HN )) ASSI { 445} ( segid " " and resid 158 and name HG2%) (( segid " " and resid 158 and name HN )) 2.200 0.600 0.600 peak 445 spectrum 1 weight 0.10000E+01 volume 0.77469E-02 ppm1 1.183 ppm2 8.059 CV 1 OR { 445} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HN )) ASSI { 446} (( segid " " and resid 147 and name HB )) (( segid " " and resid 148 and name HN )) 2.300 0.700 0.700 peak 446 spectrum 1 weight 0.10000E+01 volume 0.41251E-02 ppm1 4.423 ppm2 8.040 CV 1 OR { 446} (( segid " " and resid 47 and name HB )) (( segid " " and resid 48 and name HN )) ASSI { 447} (( segid " " and resid 158 and name HB )) (( segid " " and resid 158 and name HN )) 3.000 1.100 1.100 peak 447 spectrum 1 weight 0.10000E+01 volume 0.22616E-02 ppm1 3.977 ppm2 8.047 CV 1 OR { 447} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HN )) ASSI { 449} (( segid " " and resid 155 and name HD1 )) (( segid " " and resid 155 and name HN )) 4.000 2.000 2.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.82539E-03 ppm1 3.390 ppm2 8.027 CV 1 OR { 449} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HN )) OR { 449} (( segid " " and resid 148 and name HD2 )) (( segid " " and resid 148 and name HN )) OR { 449} (( segid " " and resid 48 and name HD1 )) (( segid " " and resid 48 and name HN )) ASSI { 450} (( segid " " and resid 72 and name HG )) (( segid " " and resid 148 and name HN )) 3.700 1.700 1.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.17535E-02 ppm1 1.985 ppm2 8.037 CV 1 OR { 450} (( segid " " and resid 172 and name HG )) (( segid " " and resid 48 and name HN )) ASSI { 452} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HN )) 2.600 0.900 0.900 peak 452 spectrum 1 weight 0.10000E+01 volume 0.43632E-02 ppm1 1.918 ppm2 8.023 CV 1 OR { 452} (( segid " " and resid 48 and name HG1 )) (( segid " " and resid 48 and name HN )) OR { 452} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 155 and name HN )) OR { 452} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HN )) OR { 452} (( segid " " and resid 155 and name HG2 )) (( segid " " and resid 155 and name HN )) ASSI { 456} ( segid " " and resid 147 and name HG2%) (( segid " " and resid 148 and name HN )) 3.100 1.200 1.200 peak 456 spectrum 1 weight 0.10000E+01 volume 0.26632E-02 ppm1 1.292 ppm2 8.033 CV 1 OR { 456} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 48 and name HN )) ASSI { 457} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HN )) 2.000 0.500 0.500 peak 457 spectrum 1 weight 0.10000E+01 volume 0.12582E-01 ppm1 4.147 ppm2 8.012 CV 1 OR { 457} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HN )) OR { 457} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HN )) OR { 457} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HN )) ASSI { 461} (( segid " " and resid 155 and name HD2 )) (( segid " " and resid 155 and name HN )) 5.300 3.500 0.700 peak 461 spectrum 1 weight 0.10000E+01 volume 0.15907E-03 ppm1 3.272 ppm2 8.006 CV 1 OR { 461} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HN )) OR { 461} (( segid " " and resid 48 and name HD2 )) (( segid " " and resid 48 and name HN )) OR { 461} (( segid " " and resid 148 and name HD1 )) (( segid " " and resid 148 and name HN )) ASSI { 464} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HN )) 2.000 0.500 0.500 peak 464 spectrum 1 weight 0.10000E+01 volume 0.10230E-01 ppm1 2.119 ppm2 7.991 CV 1 OR { 464} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 155 and name HN )) ASSI { 467} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 48 and name HN )) 2.900 1.100 1.100 peak 467 spectrum 1 weight 0.10000E+01 volume 0.18569E-02 ppm1 1.664 ppm2 8.011 CV 1 OR { 467} (( segid " " and resid 148 and name HG1 )) (( segid " " and resid 148 and name HN )) ASSI { 469} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 58 and name HN )) 4.900 3.000 1.100 peak 469 spectrum 1 weight 0.10000E+01 volume 0.19923E-04 ppm1 0.840 ppm2 8.002 CV 1 OR { 469} ( segid " " and resid 163 and name HG1%) (( segid " " and resid 158 and name HN )) OR { 469} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 48 and name HN )) ASSI { 470} (( segid " " and resid 172 and name HA )) (( segid " " and resid 176 and name HN )) 3.700 1.700 1.700 peak 470 spectrum 1 weight 0.10000E+01 volume 0.49349E-03 ppm1 3.873 ppm2 7.971 CV 1 OR { 470} (( segid " " and resid 72 and name HA )) (( segid " " and resid 76 and name HN )) ASSI { 473} (( segid " " and resid 56 and name HA )) (( segid " " and resid 57 and name HN )) 2.800 1.000 1.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.22590E-02 ppm1 4.432 ppm2 7.912 CV 1 OR { 473} (( segid " " and resid 156 and name HA )) (( segid " " and resid 157 and name HN )) ASSI { 474} (( segid " " and resid 162 and name HA )) (( segid " " and resid 165 and name HN )) 3.000 1.200 1.200 peak 474 spectrum 1 weight 0.10000E+01 volume 0.15944E-02 ppm1 4.425 ppm2 7.914 CV 1 OR { 474} (( segid " " and resid 62 and name HA )) (( segid " " and resid 65 and name HN )) ASSI { 475} (( segid " " and resid 157 and name HA2 )) (( segid " " and resid 157 and name HN )) 1.900 0.500 0.500 peak 475 spectrum 1 weight 0.10000E+01 volume 0.12710E-01 ppm1 4.022 ppm2 7.911 CV 1 OR { 475} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 57 and name HN )) ASSI { 477} (( segid " " and resid 53 and name HA )) (( segid " " and resid 54 and name HN )) 3.000 1.200 1.200 peak 477 spectrum 1 weight 0.10000E+01 volume 0.15493E-02 ppm1 3.979 ppm2 7.919 CV 1 OR { 477} (( segid " " and resid 153 and name HA )) (( segid " " and resid 154 and name HN )) OR { 477} (( segid " " and resid 53 and name HA )) (( segid " " and resid 57 and name HN )) ASSI { 478} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HN )) 2.300 0.700 0.700 peak 478 spectrum 1 weight 0.10000E+01 volume 0.39918E-02 ppm1 3.970 ppm2 7.929 CV 1 OR { 478} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HN )) ASSI { 479} (( segid " " and resid 165 and name HA )) (( segid " " and resid 165 and name HN )) 2.300 0.700 0.700 peak 479 spectrum 1 weight 0.10000E+01 volume 0.57649E-02 ppm1 3.916 ppm2 7.908 CV 1 OR { 479} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HN )) ASSI { 483} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 145 and name HN )) 3.400 1.400 1.400 peak 483 spectrum 1 weight 0.10000E+01 volume 0.83018E-03 ppm1 2.843 ppm2 7.919 CV 1 OR { 483} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 45 and name HN )) ASSI { 485} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 45 and name HN )) 3.000 1.100 1.100 peak 485 spectrum 1 weight 0.10000E+01 volume 0.11006E-02 ppm1 2.737 ppm2 7.911 CV 1 OR { 485} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 145 and name HN )) ASSI { 495} ( segid " " and resid 154 and name HB% ) (( segid " " and resid 154 and name HN )) 1.800 0.400 0.400 peak 495 spectrum 1 weight 0.10000E+01 volume 0.25219E-01 ppm1 1.541 ppm2 7.917 CV 1 OR { 495} ( segid " " and resid 54 and name HB% ) (( segid " " and resid 54 and name HN )) ASSI { 496} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 65 and name HN )) 3.500 1.500 1.500 peak 496 spectrum 1 weight 0.10000E+01 volume 0.13666E-02 ppm1 1.139 ppm2 7.917 CV 1 OR { 496} ( segid " " and resid 164 and name HG1%) (( segid " " and resid 165 and name HN )) ASSI { 497} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 165 and name HN )) 3.700 1.700 1.700 peak 497 spectrum 1 weight 0.10000E+01 volume 0.10524E-02 ppm1 0.960 ppm2 7.916 CV 1 OR { 497} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 65 and name HN )) ASSI { 498} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 65 and name HN )) 4.600 2.700 1.400 peak 498 spectrum 1 weight 0.10000E+01 volume 0.21740E-03 ppm1 0.839 ppm2 7.907 CV 1 OR { 498} ( segid " " and resid 163 and name HG1%) (( segid " " and resid 165 and name HN )) ASSI { 501} (( segid " " and resid 154 and name HA )) (( segid " " and resid 154 and name HN )) 2.100 0.500 0.500 peak 501 spectrum 1 weight 0.10000E+01 volume 0.14262E-01 ppm1 4.229 ppm2 7.868 CV 1 OR { 501} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HN )) OR { 501} (( segid " " and resid 154 and name HA )) (( segid " " and resid 157 and name HN )) OR { 501} (( segid " " and resid 54 and name HA )) (( segid " " and resid 57 and name HN )) ASSI { 502} (( segid " " and resid 150 and name HA )) (( segid " " and resid 151 and name HN )) 3.200 1.300 1.300 peak 502 spectrum 1 weight 0.10000E+01 volume 0.12517E-02 ppm1 3.437 ppm2 7.808 CV 1 OR { 502} (( segid " " and resid 50 and name HA )) (( segid " " and resid 51 and name HN )) ASSI { 503} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 151 and name HN )) 2.300 0.600 0.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.36711E-02 ppm1 1.662 ppm2 7.811 CV 1 OR { 503} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 51 and name HN )) ASSI { 505} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 151 and name HN )) 3.200 1.300 1.300 peak 505 spectrum 1 weight 0.10000E+01 volume 0.21911E-02 ppm1 1.399 ppm2 7.810 CV 1 OR { 505} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 51 and name HN )) ASSI { 506} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 51 and name HN )) 3.900 1.900 1.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.37331E-03 ppm1 1.298 ppm2 7.811 CV 1 OR { 506} ( segid " " and resid 147 and name HG2%) (( segid " " and resid 151 and name HN )) ASSI { 510} (( segid " " and resid 166 and name HA )) (( segid " " and resid 166 and name HN )) 2.200 0.600 0.600 peak 510 spectrum 1 weight 0.10000E+01 volume 0.94214E-02 ppm1 4.164 ppm2 7.804 CV 1 OR { 510} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HN )) OR { 510} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HN )) ASSI { 513} (( segid " " and resid 66 and name HG1 )) (( segid " " and resid 66 and name HN )) 3.000 1.100 1.100 peak 513 spectrum 1 weight 0.10000E+01 volume 0.38347E-02 ppm1 2.570 ppm2 7.793 CV 1 OR { 513} (( segid " " and resid 166 and name HG2 )) (( segid " " and resid 166 and name HN )) ASSI { 514} (( segid " " and resid 166 and name HG1 )) (( segid " " and resid 166 and name HN )) 3.100 1.200 1.200 peak 514 spectrum 1 weight 0.10000E+01 volume 0.31661E-02 ppm1 2.430 ppm2 7.803 CV 1 OR { 514} (( segid " " and resid 66 and name HG2 )) (( segid " " and resid 66 and name HN )) ASSI { 516} (( segid " " and resid 166 and name HB2 )) (( segid " " and resid 166 and name HN )) 1.900 0.500 0.500 peak 516 spectrum 1 weight 0.10000E+01 volume 0.12615E-01 ppm1 2.250 ppm2 7.796 CV 1 OR { 516} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HN )) OR { 516} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 66 and name HN )) OR { 516} (( segid " " and resid 166 and name HB1 )) (( segid " " and resid 166 and name HN )) ASSI { 517} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 66 and name HN )) 2.800 2.800 3.200 peak 517 spectrum 1 weight 0.10000E+01 volume 0.31858E-02 ppm1 1.079 ppm2 7.784 CV 1 OR { 517} ( segid " " and resid 167 and name HD1%) (( segid " " and resid 166 and name HN )) OR { 517} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 70 and name HD21)) ASSI { 518} ( segid " " and resid 167 and name HD2%) (( segid " " and resid 166 and name HN )) 3.800 1.800 1.800 peak 518 spectrum 1 weight 0.10000E+01 volume 0.52179E-03 ppm1 0.564 ppm2 7.791 CV 1 OR { 518} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 66 and name HN )) OR { 518} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 166 and name HN )) ASSI { 520} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 66 and name HN )) 5.500 3.700 0.500 peak 520 spectrum 1 weight 0.10000E+01 volume 0.11151E-03 ppm1 -0.192 ppm2 7.789 CV 1 OR { 520} ( segid " " and resid 163 and name HG2%) (( segid " " and resid 166 and name HN )) ASSI { 521} (( segid " " and resid 170 and name HA )) (( segid " " and resid 170 and name HN )) 2.300 0.700 0.700 peak 521 spectrum 1 weight 0.10000E+01 volume 0.56909E-02 ppm1 4.495 ppm2 7.726 CV 1 OR { 521} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HN )) ASSI { 522} (( segid " " and resid 67 and name HA )) (( segid " " and resid 70 and name HN )) 2.900 1.000 1.000 peak 522 spectrum 1 weight 0.10000E+01 volume 0.17786E-02 ppm1 4.175 ppm2 7.746 CV 1 OR { 522} (( segid " " and resid 167 and name HA )) (( segid " " and resid 170 and name HN )) OR { 522} (( segid " " and resid 167 and name HA )) (( segid " " and resid 166 and name HN )) OR { 522} (( segid " " and resid 67 and name HA )) (( segid " " and resid 66 and name HN )) ASSI { 523} (( segid " " and resid 139 and name HA )) (( segid " " and resid 140 and name HN )) 1.900 0.500 0.500 peak 523 spectrum 1 weight 0.10000E+01 volume 0.13325E-01 ppm1 3.978 ppm2 7.726 CV 1 OR { 523} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HN )) ASSI { 525} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 140 and name HN )) 2.900 2.900 3.100 peak 525 spectrum 1 weight 0.10000E+01 volume 0.53198E-02 ppm1 2.981 ppm2 7.731 CV 1 OR { 525} (( segid " " and resid 165 and name HB1 )) (( segid " " and resid 40 and name HN )) OR { 525} (( segid " " and resid 165 and name HB1 )) (( segid " " and resid 170 and name HN )) ASSI { 527} (( segid " " and resid 169 and name HB1 )) (( segid " " and resid 170 and name HN )) 2.200 0.600 0.600 peak 527 spectrum 1 weight 0.10000E+01 volume 0.76796E-02 ppm1 2.668 ppm2 7.724 CV 1 OR { 527} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 70 and name HN )) ASSI { 532} ( segid " " and resid 134 and name HG2%) (( segid " " and resid 40 and name HN )) 5.500 3.800 0.500 peak 532 spectrum 1 weight 0.10000E+01 volume 0.79700E-04 ppm1 0.721 ppm2 7.737 CV 1 OR { 532} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 140 and name HN )) ASSI { 533} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 140 and name HN )) 3.300 1.300 1.300 peak 533 spectrum 1 weight 0.10000E+01 volume 0.47760E-02 ppm1 0.474 ppm2 7.726 CV 1 OR { 533} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 40 and name HN )) ASSI { 534} (( segid " " and resid 69 and name HA )) (( segid " " and resid 70 and name HN )) 2.800 1.000 1.000 peak 534 spectrum 1 weight 0.10000E+01 volume 0.22947E-02 ppm1 4.386 ppm2 7.716 CV 1 OR { 534} (( segid " " and resid 169 and name HA )) (( segid " " and resid 170 and name HN )) ASSI { 535} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HN )) 3.100 1.200 1.200 peak 535 spectrum 1 weight 0.10000E+01 volume 0.14136E-02 ppm1 3.845 ppm2 7.688 CV 1 OR { 535} (( segid " " and resid 161 and name HA )) (( segid " " and resid 162 and name HN )) OR { 535} (( segid " " and resid 61 and name HA )) (( segid " " and resid 140 and name HN )) ASSI { 536} (( segid " " and resid 35 and name HE2 )) (( segid " " and resid 146 and name HE1 )) 3.500 1.500 1.500 peak 536 spectrum 1 weight 0.10000E+01 volume 0.79004E-03 ppm1 2.787 ppm2 7.705 CV 1 OR { 536} (( segid " " and resid 35 and name HE1 )) (( segid " " and resid 146 and name HE1 )) OR { 536} (( segid " " and resid 135 and name HE2 )) (( segid " " and resid 46 and name HE1 )) OR { 536} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 46 and name HE1 )) ASSI { 538} (( segid " " and resid 50 and name HD1 )) (( segid " " and resid 46 and name HE1 )) 2.800 1.000 1.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.21580E-02 ppm1 1.535 ppm2 7.715 CV 1 OR { 538} (( segid " " and resid 150 and name HD1 )) (( segid " " and resid 146 and name HE1 )) OR { 538} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 46 and name HE1 )) OR { 538} (( segid " " and resid 150 and name HD2 )) (( segid " " and resid 146 and name HE1 )) ASSI { 539} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 140 and name HN )) 2.700 0.900 0.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.65548E-02 ppm1 1.268 ppm2 7.697 CV 1 OR { 539} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 40 and name HN )) OR { 539} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 162 and name HN )) ASSI { 540} ( segid " " and resid 137 and name HG1%) (( segid " " and resid 140 and name HN )) 5.900 4.300 0.100 peak 540 spectrum 1 weight 0.10000E+01 volume 0.90030E-04 ppm1 0.824 ppm2 7.720 CV 1 OR { 540} ( segid " " and resid 37 and name HG1%) (( segid " " and resid 40 and name HN )) OR { 540} ( segid " " and resid 37 and name HG1%) (( segid " " and resid 146 and name HE1 )) ASSI { 545} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name HD22)) 3.800 1.800 1.800 peak 545 spectrum 1 weight 0.10000E+01 volume 0.11256E-02 ppm1 2.864 ppm2 7.652 CV 1 OR { 545} (( segid " " and resid 18 and name HB1 )) (( segid " " and resid 18 and name HD22)) ASSI { 550} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HN )) 2.400 0.700 0.700 peak 550 spectrum 1 weight 0.10000E+01 volume 0.46166E-02 ppm1 4.433 ppm2 7.541 CV 1 OR { 550} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HN )) ASSI { 554} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HN )) 2.500 0.800 0.800 peak 554 spectrum 1 weight 0.10000E+01 volume 0.26959E-02 ppm1 2.264 ppm2 7.543 CV 1 OR { 554} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 156 and name HN )) ASSI { 555} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 56 and name HN )) 2.600 0.800 0.800 peak 555 spectrum 1 weight 0.10000E+01 volume 0.35416E-02 ppm1 2.124 ppm2 7.531 CV 1 OR { 555} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 156 and name HN )) ASSI { 556} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 156 and name HN )) 2.500 0.800 0.800 peak 556 spectrum 1 weight 0.10000E+01 volume 0.37760E-02 ppm1 1.967 ppm2 7.516 CV 1 OR { 556} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 56 and name HN )) ASSI { 558} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 156 and name HN )) 6.000 5.400 0.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.19411E-04 ppm1 1.933 ppm2 7.531 CV 1 OR { 558} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 56 and name HN )) ASSI { 560} ( segid " " and resid 152 and name HB% ) (( segid " " and resid 156 and name HN )) 4.600 2.600 1.400 peak 560 spectrum 1 weight 0.10000E+01 volume 0.23067E-03 ppm1 1.821 ppm2 7.518 CV 1 OR { 560} ( segid " " and resid 52 and name HB% ) (( segid " " and resid 56 and name HN )) OR { 560} ( segid " " and resid 52 and name HB% ) (( segid " " and resid 175 and name HN )) ASSI { 565} (( segid " " and resid 52 and name HA )) (( segid " " and resid 56 and name HN )) 3.700 1.700 1.700 peak 565 spectrum 1 weight 0.10000E+01 volume 0.80032E-03 ppm1 4.308 ppm2 7.505 CV 1 OR { 565} (( segid " " and resid 152 and name HA )) (( segid " " and resid 156 and name HN )) ASSI { 566} (( segid " " and resid 74 and name HA )) (( segid " " and resid 75 and name HN )) 2.800 1.000 1.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.28133E-02 ppm1 4.256 ppm2 7.496 CV 1 OR { 566} (( segid " " and resid 174 and name HA )) (( segid " " and resid 175 and name HN )) ASSI { 567} (( segid " " and resid 173 and name HA )) (( segid " " and resid 173 and name HN )) 2.200 0.600 0.600 peak 567 spectrum 1 weight 0.10000E+01 volume 0.78681E-02 ppm1 4.048 ppm2 7.474 CV 1 OR { 567} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HN )) ASSI { 568} (( segid " " and resid 76 and name HA )) (( segid " " and resid 75 and name HN )) 4.600 2.700 1.400 peak 568 spectrum 1 weight 0.10000E+01 volume 0.31861E-03 ppm1 3.883 ppm2 7.497 CV 1 OR { 568} (( segid " " and resid 176 and name HA )) (( segid " " and resid 175 and name HN )) ASSI { 569} (( segid " " and resid 172 and name HA )) (( segid " " and resid 173 and name HN )) 2.600 0.900 0.900 peak 569 spectrum 1 weight 0.10000E+01 volume 0.30566E-02 ppm1 3.871 ppm2 7.488 CV 1 OR { 569} (( segid " " and resid 72 and name HA )) (( segid " " and resid 73 and name HN )) OR { 569} (( segid " " and resid 172 and name HA )) (( segid " " and resid 175 and name HN )) ASSI { 575} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 75 and name HN )) 4.600 2.600 1.400 peak 575 spectrum 1 weight 0.10000E+01 volume 0.25678E-03 ppm1 2.025 ppm2 7.490 CV 1 OR { 575} (( segid " " and resid 176 and name HB2 )) (( segid " " and resid 175 and name HN )) OR { 575} (( segid " " and resid 176 and name HB2 )) (( segid " " and resid 173 and name HN )) OR { 575} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 73 and name HN )) OR { 575} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 75 and name HN )) OR { 575} (( segid " " and resid 176 and name HB1 )) (( segid " " and resid 175 and name HN )) OR { 575} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 148 and name HE )) OR { 575} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 148 and name HE )) ASSI { 576} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 48 and name HE )) 2.300 2.300 3.700 peak 576 spectrum 1 weight 0.10000E+01 volume 0.16404E-01 ppm1 1.998 ppm2 7.470 CV 1 OR { 576} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 148 and name HE )) OR { 576} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 173 and name HN )) OR { 576} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 48 and name HE )) OR { 576} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 148 and name HE )) ASSI { 577} (( segid " " and resid 174 and name HB2 )) (( segid " " and resid 175 and name HN )) 2.800 1.000 1.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.24021E-02 ppm1 1.786 ppm2 7.484 CV 1 OR { 577} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 75 and name HN )) OR { 577} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 73 and name HN )) ASSI { 580} (( segid " " and resid 173 and name HG1 )) (( segid " " and resid 173 and name HN )) 2.100 0.500 0.500 peak 580 spectrum 1 weight 0.10000E+01 volume 0.67582E-02 ppm1 1.663 ppm2 7.491 CV 1 OR { 580} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 73 and name HN )) ASSI { 581} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 173 and name HN )) 3.500 1.500 1.500 peak 581 spectrum 1 weight 0.10000E+01 volume 0.11698E-02 ppm1 1.573 ppm2 7.472 CV 1 OR { 581} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 73 and name HN )) ASSI { 583} ( segid " " and resid 172 and name HD2%) (( segid " " and resid 48 and name HE )) 3.200 1.300 1.300 peak 583 spectrum 1 weight 0.10000E+01 volume 0.15698E-02 ppm1 1.055 ppm2 7.491 CV 1 OR { 583} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 148 and name HE )) OR { 583} ( segid " " and resid 172 and name HD2%) (( segid " " and resid 173 and name HN )) ASSI { 584} ( segid " " and resid 172 and name HD1%) (( segid " " and resid 48 and name HE )) 4.000 2.000 2.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.93785E-03 ppm1 0.877 ppm2 7.472 CV 1 OR { 584} ( segid " " and resid 172 and name HD1%) (( segid " " and resid 173 and name HN )) OR { 584} ( segid " " and resid 72 and name HD1%) (( segid " " and resid 73 and name HN )) OR { 584} ( segid " " and resid 72 and name HD1%) (( segid " " and resid 148 and name HE )) ASSI { 586} (( segid " " and resid 70 and name HA )) (( segid " " and resid 73 and name HN )) 3.200 1.200 1.200 peak 586 spectrum 1 weight 0.10000E+01 volume 0.12716E-02 ppm1 4.499 ppm2 7.461 CV 1 OR { 586} (( segid " " and resid 170 and name HA )) (( segid " " and resid 173 and name HN )) OR { 586} (( segid " " and resid 170 and name HA )) (( segid " " and resid 175 and name HN )) ASSI { 587} (( segid " " and resid 62 and name HA )) (( segid " " and resid 65 and name HD21)) 4.000 2.000 2.000 peak 587 spectrum 1 weight 0.10000E+01 volume 0.49851E-03 ppm1 4.435 ppm2 7.439 CV 1 OR { 587} (( segid " " and resid 162 and name HA )) (( segid " " and resid 165 and name HD22)) ASSI { 589} (( segid " " and resid 69 and name HA )) (( segid " " and resid 73 and name HN )) 4.900 3.000 1.100 peak 589 spectrum 1 weight 0.10000E+01 volume 0.83969E-04 ppm1 4.383 ppm2 7.467 CV 1 OR { 589} (( segid " " and resid 169 and name HA )) (( segid " " and resid 173 and name HN )) ASSI { 590} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HD21)) 4.200 2.200 1.800 peak 590 spectrum 1 weight 0.10000E+01 volume 0.34797E-03 ppm1 3.916 ppm2 7.433 CV 1 OR { 590} (( segid " " and resid 165 and name HA )) (( segid " " and resid 165 and name HD22)) ASSI { 591} (( segid " " and resid 61 and name HA )) (( segid " " and resid 65 and name HD21)) 6.000 6.000 0.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.19432E-04 ppm1 3.843 ppm2 7.435 CV 1 OR { 591} (( segid " " and resid 161 and name HA )) (( segid " " and resid 165 and name HD22)) OR { 591} (( segid " " and resid 61 and name HA )) (( segid " " and resid 140 and name HD22)) OR { 591} (( segid " " and resid 161 and name HA )) (( segid " " and resid 40 and name HD22)) ASSI { 594} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HD21)) 2.700 0.900 0.900 peak 594 spectrum 1 weight 0.10000E+01 volume 0.16070E-02 ppm1 2.668 ppm2 7.445 CV 1 OR { 594} (( segid " " and resid 165 and name HB2 )) (( segid " " and resid 165 and name HD22)) ASSI { 596} (( segid " " and resid 166 and name HG1 )) (( segid " " and resid 166 and name HE21)) 3.100 1.200 1.200 peak 596 spectrum 1 weight 0.10000E+01 volume 0.18146E-02 ppm1 2.433 ppm2 7.448 CV 1 OR { 596} (( segid " " and resid 66 and name HG2 )) (( segid " " and resid 66 and name HE22)) ASSI { 597} (( segid " " and resid 172 and name HB1 )) (( segid " " and resid 173 and name HN )) 2.700 0.900 0.900 peak 597 spectrum 1 weight 0.10000E+01 volume 0.15958E-02 ppm1 2.092 ppm2 7.460 CV 1 OR { 597} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 73 and name HN )) ASSI { 598} (( segid " " and resid 73 and name HD1 )) (( segid " " and resid 73 and name HN )) 3.900 1.900 1.900 peak 598 spectrum 1 weight 0.10000E+01 volume 0.12376E-02 ppm1 1.746 ppm2 7.465 CV 1 OR { 598} (( segid " " and resid 173 and name HD1 )) (( segid " " and resid 173 and name HN )) OR { 598} (( segid " " and resid 73 and name HD2 )) (( segid " " and resid 73 and name HN )) OR { 598} (( segid " " and resid 173 and name HD2 )) (( segid " " and resid 173 and name HN )) ASSI { 600} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 65 and name HD21)) 2.500 2.500 3.500 peak 600 spectrum 1 weight 0.10000E+01 volume 0.57702E-02 ppm1 1.267 ppm2 7.430 CV 1 OR { 600} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 140 and name HD22)) OR { 600} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 40 and name HD22)) ASSI { 603} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 140 and name HD22)) 3.200 1.300 1.300 peak 603 spectrum 1 weight 0.10000E+01 volume 0.30495E-02 ppm1 2.590 ppm2 7.408 CV 1 OR { 603} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HD22)) ASSI { 611} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 140 and name HD22)) 3.000 3.000 3.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.40567E-02 ppm1 0.472 ppm2 7.387 CV 1 OR { 611} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 40 and name HD22)) ASSI { 616} (( segid " " and resid 141 and name HB2 )) ( segid " " and resid 141 and name HD% ) 2.600 0.800 0.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.21265E-02 ppm1 2.810 ppm2 7.329 CV 1 OR { 616} (( segid " " and resid 41 and name HB1 )) ( segid " " and resid 41 and name HD% ) ASSI { 619} (( segid " " and resid 137 and name HB )) ( segid " " and resid 41 and name HD% ) 2.800 2.800 3.200 peak 619 spectrum 1 weight 0.10000E+01 volume 0.37827E-02 ppm1 2.214 ppm2 7.323 CV 1 OR { 619} (( segid " " and resid 37 and name HB )) ( segid " " and resid 141 and name HD% ) ASSI { 622} (( segid " " and resid 45 and name HD1 )) ( segid " " and resid 41 and name HD% ) 2.900 1.000 1.000 peak 622 spectrum 1 weight 0.10000E+01 volume 0.16264E-02 ppm1 1.817 ppm2 7.315 CV 1 OR { 622} (( segid " " and resid 145 and name HD1 )) ( segid " " and resid 141 and name HD% ) OR { 622} (( segid " " and resid 45 and name HD2 )) ( segid " " and resid 41 and name HD% ) OR { 622} (( segid " " and resid 145 and name HD2 )) ( segid " " and resid 141 and name HD% ) ASSI { 623} (( segid " " and resid 39 and name HB )) ( segid " " and resid 41 and name HD% ) 3.600 1.600 1.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.72530E-03 ppm1 1.806 ppm2 7.327 CV 1 OR { 623} (( segid " " and resid 139 and name HB )) ( segid " " and resid 141 and name HD% ) ASSI { 626} ( segid " " and resid 64 and name HG1%) ( segid " " and resid 141 and name HD% ) 3.700 1.700 1.700 peak 626 spectrum 1 weight 0.10000E+01 volume 0.76183E-03 ppm1 0.951 ppm2 7.332 CV 1 OR { 626} ( segid " " and resid 64 and name HG1%) ( segid " " and resid 41 and name HD% ) ASSI { 628} ( segid " " and resid 137 and name HG1%) ( segid " " and resid 41 and name HD% ) 3.500 3.500 2.500 peak 628 spectrum 1 weight 0.10000E+01 volume 0.26426E-02 ppm1 0.828 ppm2 7.322 CV 1 OR { 628} ( segid " " and resid 37 and name HG1%) ( segid " " and resid 141 and name HD% ) ASSI { 631} (( segid " " and resid 115 and name HA )) ( segid " " and resid 115 and name HE% ) 4.500 2.600 1.500 peak 631 spectrum 1 weight 0.10000E+01 volume 0.68123E-03 ppm1 4.644 ppm2 7.295 CV 1 OR { 631} (( segid " " and resid 15 and name HA )) ( segid " " and resid 15 and name HE% ) ASSI { 633} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 138 and name HD22)) 3.000 3.000 3.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.33182E-03 ppm1 3.182 ppm2 7.280 CV 1 OR { 633} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 38 and name HD21)) OR { 633} (( segid " " and resid 19 and name HD1 )) ( segid " " and resid 15 and name HE% ) OR { 633} (( segid " " and resid 119 and name HD1 )) ( segid " " and resid 115 and name HE% ) ASSI { 634} (( segid " " and resid 15 and name HB1 )) ( segid " " and resid 15 and name HE% ) 3.700 1.700 1.700 peak 634 spectrum 1 weight 0.10000E+01 volume 0.20042E-02 ppm1 3.185 ppm2 7.279 CV 1 OR { 634} (( segid " " and resid 115 and name HB1 )) ( segid " " and resid 115 and name HE% ) ASSI { 635} (( segid " " and resid 15 and name HB2 )) ( segid " " and resid 15 and name HE% ) 3.600 1.600 1.600 peak 635 spectrum 1 weight 0.10000E+01 volume 0.23018E-02 ppm1 3.035 ppm2 7.279 CV 1 OR { 635} (( segid " " and resid 115 and name HB2 )) ( segid " " and resid 115 and name HE% ) ASSI { 639} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 141 and name HD% ) 3.100 1.200 1.200 peak 639 spectrum 1 weight 0.10000E+01 volume 0.12853E-02 ppm1 0.052 ppm2 7.291 CV 1 OR { 639} ( segid " " and resid 168 and name HG1%) ( segid " " and resid 41 and name HD% ) OR { 639} ( segid " " and resid 168 and name HG1%) (( segid " " and resid 171 and name HE3 )) ASSI { 641} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 171 and name HZ3 )) 3.600 1.600 1.600 peak 641 spectrum 1 weight 0.10000E+01 volume 0.97018E-03 ppm1 1.082 ppm2 7.133 CV 1 OR { 641} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 70 and name HD22)) OR { 641} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 174 and name HN )) ASSI { 644} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HD22)) 5.400 3.600 0.600 peak 644 spectrum 1 weight 0.10000E+01 volume 0.98289E-04 ppm1 4.501 ppm2 7.107 CV 1 OR { 644} (( segid " " and resid 170 and name HA )) (( segid " " and resid 170 and name HD22)) OR { 644} (( segid " " and resid 70 and name HA )) (( segid " " and resid 74 and name HN )) ASSI { 645} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HN )) 2.300 0.700 0.700 peak 645 spectrum 1 weight 0.10000E+01 volume 0.63710E-02 ppm1 4.258 ppm2 7.099 CV 1 OR { 645} (( segid " " and resid 174 and name HA )) (( segid " " and resid 174 and name HN )) ASSI { 646} (( segid " " and resid 171 and name HA )) (( segid " " and resid 174 and name HN )) 3.000 1.100 1.100 peak 646 spectrum 1 weight 0.10000E+01 volume 0.15962E-02 ppm1 4.191 ppm2 7.102 CV 1 OR { 646} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HN )) ASSI { 647} (( segid " " and resid 173 and name HA )) (( segid " " and resid 174 and name HN )) 2.800 1.000 1.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.25681E-02 ppm1 4.045 ppm2 7.096 CV 1 OR { 647} (( segid " " and resid 73 and name HA )) (( segid " " and resid 74 and name HN )) ASSI { 648} (( segid " " and resid 170 and name HB2 )) (( segid " " and resid 170 and name HD22)) 3.700 1.700 1.700 peak 648 spectrum 1 weight 0.10000E+01 volume 0.11125E-02 ppm1 3.085 ppm2 7.110 CV 1 OR { 648} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HD22)) ASSI { 652} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 171 and name HZ3 )) 2.700 2.700 3.300 peak 652 spectrum 1 weight 0.10000E+01 volume 0.69711E-02 ppm1 1.997 ppm2 7.102 CV 1 OR { 652} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 71 and name HZ3 )) OR { 652} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 171 and name HZ3 )) OR { 652} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 71 and name HZ3 )) ASSI { 653} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 71 and name HZ3 )) 2.500 2.500 3.500 peak 653 spectrum 1 weight 0.10000E+01 volume 0.63924E-02 ppm1 1.942 ppm2 7.100 CV 1 OR { 653} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 171 and name HZ3 )) OR { 653} (( segid " " and resid 168 and name HB )) (( segid " " and resid 171 and name HZ3 )) OR { 653} (( segid " " and resid 168 and name HB )) (( segid " " and resid 170 and name HD22)) OR { 653} (( segid " " and resid 68 and name HB )) (( segid " " and resid 70 and name HD22)) ASSI { 656} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 171 and name HZ3 )) 5.500 3.800 0.500 peak 656 spectrum 1 weight 0.10000E+01 volume 0.74932E-04 ppm1 1.571 ppm2 7.123 CV 1 OR { 656} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 71 and name HZ3 )) OR { 656} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 174 and name HN )) ASSI { 657} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 74 and name HN )) 3.100 3.100 2.900 peak 657 spectrum 1 weight 0.10000E+01 volume 0.28481E-03 ppm1 1.503 ppm2 7.098 CV 1 OR { 657} (( segid " " and resid 173 and name HG2 )) (( segid " " and resid 174 and name HN )) ASSI { 660} (( segid " " and resid 173 and name HG1 )) (( segid " " and resid 174 and name HN )) 5.300 3.500 0.700 peak 660 spectrum 1 weight 0.10000E+01 volume 0.11772E-03 ppm1 1.670 ppm2 7.087 CV 1 OR { 660} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 74 and name HN )) ASSI { 667} (( segid " " and resid 49 and name HB2 )) ( segid " " and resid 49 and name HD% ) 2.900 1.000 1.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.17223E-02 ppm1 3.109 ppm2 6.976 CV 1 OR { 667} (( segid " " and resid 149 and name HB2 )) ( segid " " and resid 149 and name HD% ) ASSI { 668} (( segid " " and resid 65 and name HB2 )) ( segid " " and resid 141 and name HE% ) 3.700 1.700 1.700 peak 668 spectrum 1 weight 0.10000E+01 volume 0.70754E-03 ppm1 2.666 ppm2 6.966 CV 1 OR { 668} (( segid " " and resid 165 and name HB2 )) ( segid " " and resid 41 and name HE% ) OR { 668} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 66 and name HE21)) OR { 668} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 66 and name HE21)) ASSI { 669} (( segid " " and resid 72 and name HG )) ( segid " " and resid 149 and name HD% ) 5.500 3.700 0.500 peak 669 spectrum 1 weight 0.10000E+01 volume 0.39768E-04 ppm1 2.003 ppm2 6.981 CV 1 OR { 669} (( segid " " and resid 172 and name HG )) ( segid " " and resid 49 and name HD% ) ASSI { 671} ( segid " " and resid 72 and name HD1%) ( segid " " and resid 149 and name HD% ) 2.300 2.300 3.700 peak 671 spectrum 1 weight 0.10000E+01 volume 0.29080E-02 ppm1 0.879 ppm2 6.967 CV 1 OR { 671} ( segid " " and resid 172 and name HD1%) ( segid " " and resid 49 and name HD% ) ASSI { 672} (( segid " " and resid 65 and name HA )) ( segid " " and resid 141 and name HE% ) 2.600 0.800 0.800 peak 672 spectrum 1 weight 0.10000E+01 volume 0.31849E-02 ppm1 3.911 ppm2 6.950 CV 1 OR { 672} (( segid " " and resid 165 and name HA )) ( segid " " and resid 41 and name HE% ) ASSI { 674} (( segid " " and resid 46 and name HA )) ( segid " " and resid 49 and name HD% ) 3.900 1.900 1.900 peak 674 spectrum 1 weight 0.10000E+01 volume 0.85907E-03 ppm1 3.861 ppm2 6.962 CV 1 OR { 674} (( segid " " and resid 146 and name HA )) ( segid " " and resid 149 and name HD% ) ASSI { 675} (( segid " " and resid 161 and name HA )) ( segid " " and resid 141 and name HE% ) 4.000 2.000 2.000 peak 675 spectrum 1 weight 0.10000E+01 volume 0.77994E-03 ppm1 3.844 ppm2 6.963 CV 1 OR { 675} (( segid " " and resid 61 and name HA )) ( segid " " and resid 41 and name HE% ) OR { 675} (( segid " " and resid 161 and name HA )) ( segid " " and resid 149 and name HD% ) OR { 675} (( segid " " and resid 61 and name HA )) ( segid " " and resid 49 and name HD% ) ASSI { 676} (( segid " " and resid 49 and name HB1 )) ( segid " " and resid 49 and name HD% ) 2.400 0.700 0.700 peak 676 spectrum 1 weight 0.10000E+01 volume 0.27810E-02 ppm1 3.241 ppm2 6.959 CV 1 OR { 676} (( segid " " and resid 149 and name HB1 )) ( segid " " and resid 149 and name HD% ) ASSI { 684} (( segid " " and resid 64 and name HB )) ( segid " " and resid 141 and name HE% ) 6.000 4.700 0.000 peak 684 spectrum 1 weight 0.10000E+01 volume 0.38913E-04 ppm1 2.109 ppm2 6.954 CV 1 OR { 684} (( segid " " and resid 164 and name HB )) ( segid " " and resid 41 and name HE% ) OR { 684} (( segid " " and resid 64 and name HB )) ( segid " " and resid 41 and name HE% ) OR { 684} (( segid " " and resid 164 and name HB )) ( segid " " and resid 141 and name HE% ) ASSI { 686} (( segid " " and resid 45 and name HD1 )) ( segid " " and resid 41 and name HE% ) 3.300 1.400 1.400 peak 686 spectrum 1 weight 0.10000E+01 volume 0.88297E-03 ppm1 1.820 ppm2 6.942 CV 1 OR { 686} (( segid " " and resid 45 and name HD2 )) ( segid " " and resid 41 and name HE% ) OR { 686} (( segid " " and resid 45 and name HD1 )) ( segid " " and resid 49 and name HD% ) OR { 686} (( segid " " and resid 45 and name HD2 )) ( segid " " and resid 49 and name HD% ) ASSI { 687} (( segid " " and resid 39 and name HB )) ( segid " " and resid 41 and name HE% ) 2.700 0.900 0.900 peak 687 spectrum 1 weight 0.10000E+01 volume 0.34944E-02 ppm1 1.807 ppm2 6.945 CV 1 OR { 687} (( segid " " and resid 139 and name HB )) ( segid " " and resid 141 and name HE% ) ASSI { 689} ( segid " " and resid 164 and name HG1%) ( segid " " and resid 41 and name HE% ) 2.400 2.400 3.600 peak 689 spectrum 1 weight 0.10000E+01 volume 0.48750E-02 ppm1 1.141 ppm2 6.927 CV 1 OR { 689} ( segid " " and resid 64 and name HG2%) ( segid " " and resid 41 and name HE% ) OR { 689} ( segid " " and resid 164 and name HG1%) ( segid " " and resid 141 and name HE% ) ASSI { 690} ( segid " " and resid 63 and name HG2%) ( segid " " and resid 49 and name HD% ) 3.300 1.400 1.400 peak 690 spectrum 1 weight 0.10000E+01 volume 0.11407E-02 ppm1 0.838 ppm2 6.941 CV 1 OR { 690} ( segid " " and resid 163 and name HG1%) ( segid " " and resid 149 and name HD% ) ASSI { 691} ( segid " " and resid 137 and name HG1%) ( segid " " and resid 41 and name HE% ) 2.500 2.500 3.500 peak 691 spectrum 1 weight 0.10000E+01 volume 0.41806E-02 ppm1 0.828 ppm2 6.947 CV 1 OR { 691} ( segid " " and resid 37 and name HG1%) ( segid " " and resid 141 and name HE% ) ASSI { 693} ( segid " " and resid 137 and name HG2%) ( segid " " and resid 41 and name HE% ) 2.600 2.600 3.400 peak 693 spectrum 1 weight 0.10000E+01 volume 0.26397E-02 ppm1 0.655 ppm2 6.946 CV 1 OR { 693} ( segid " " and resid 37 and name HG2%) ( segid " " and resid 141 and name HE% ) ASSI { 694} ( segid " " and resid 160 and name HG2%) ( segid " " and resid 149 and name HD% ) 4.000 2.000 2.000 peak 694 spectrum 1 weight 0.10000E+01 volume 0.21588E-02 ppm1 0.629 ppm2 6.947 CV 1 OR { 694} ( segid " " and resid 60 and name HG2%) ( segid " " and resid 49 and name HD% ) ASSI { 695} ( segid " " and resid 160 and name HD1%) ( segid " " and resid 149 and name HD% ) 2.400 2.400 3.600 peak 695 spectrum 1 weight 0.10000E+01 volume 0.33699E-02 ppm1 0.516 ppm2 6.958 CV 1 OR { 695} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 49 and name HD% ) ASSI { 697} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 141 and name HE% ) 2.400 0.700 0.700 peak 697 spectrum 1 weight 0.10000E+01 volume 0.60624E-02 ppm1 0.053 ppm2 6.945 CV 1 OR { 697} ( segid " " and resid 168 and name HG1%) ( segid " " and resid 41 and name HE% ) ASSI { 700} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 141 and name HE% ) 2.200 2.200 3.800 peak 700 spectrum 1 weight 0.10000E+01 volume 0.82140E-02 ppm1 0.614 ppm2 6.920 CV 1 OR { 700} ( segid " " and resid 168 and name HG2%) ( segid " " and resid 41 and name HE% ) OR { 700} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 141 and name HZ )) ASSI { 701} (( segid " " and resid 153 and name HA )) (( segid " " and resid 71 and name HH2 )) 2.500 0.800 0.800 peak 701 spectrum 1 weight 0.10000E+01 volume 0.32495E-02 ppm1 3.975 ppm2 6.798 CV 1 OR { 701} (( segid " " and resid 53 and name HA )) (( segid " " and resid 171 and name HH2 )) ASSI { 702} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 71 and name HH2 )) 6.000 5.200 0.000 peak 702 spectrum 1 weight 0.10000E+01 volume 0.20415E-04 ppm1 1.932 ppm2 6.805 CV 1 OR { 702} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 171 and name HH2 )) ASSI { 706} ( segid " " and resid 158 and name HG2%) (( segid " " and resid 71 and name HH2 )) 3.300 3.300 2.700 peak 706 spectrum 1 weight 0.10000E+01 volume 0.11031E-02 ppm1 1.185 ppm2 6.790 CV 1 OR { 706} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 171 and name HH2 )) ASSI { 709} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HD21)) 5.100 3.200 0.900 peak 709 spectrum 1 weight 0.10000E+01 volume 0.21243E-03 ppm1 4.562 ppm2 6.740 CV 1 OR { 709} (( segid " " and resid 175 and name HA )) (( segid " " and resid 175 and name HD21)) ASSI { 710} (( segid " " and resid 71 and name HA )) (( segid " " and resid 75 and name HD21)) 3.200 1.300 1.300 peak 710 spectrum 1 weight 0.10000E+01 volume 0.13685E-02 ppm1 4.190 ppm2 6.732 CV 1 OR { 710} (( segid " " and resid 171 and name HA )) (( segid " " and resid 175 and name HD21)) ASSI { 712} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 75 and name HD21)) 3.400 3.400 2.600 peak 712 spectrum 1 weight 0.10000E+01 volume 0.15256E-02 ppm1 1.943 ppm2 6.736 CV 1 OR { 712} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 175 and name HD21)) ASSI { 715} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 75 and name HD21)) 3.600 3.600 2.400 peak 715 spectrum 1 weight 0.10000E+01 volume 0.17980E-02 ppm1 1.790 ppm2 6.734 CV 1 OR { 715} (( segid " " and resid 174 and name HB2 )) (( segid " " and resid 175 and name HD21)) ASSI { 716} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HD21)) 3.400 1.400 1.400 peak 716 spectrum 1 weight 0.10000E+01 volume 0.20254E-02 ppm1 1.693 ppm2 6.740 CV 1 OR { 716} (( segid " " and resid 175 and name HB2 )) (( segid " " and resid 175 and name HD21)) ASSI { 717} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HD21)) 2.400 0.700 0.700 peak 717 spectrum 1 weight 0.10000E+01 volume 0.15146E-02 ppm1 0.783 ppm2 6.742 CV 1 OR { 717} (( segid " " and resid 175 and name HB1 )) (( segid " " and resid 175 and name HD21)) ASSI { 722} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 140 and name HD21)) 3.500 1.500 1.500 peak 722 spectrum 1 weight 0.10000E+01 volume 0.72269E-03 ppm1 1.267 ppm2 6.707 CV 1 OR { 722} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 40 and name HD21)) ASSI { 736} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 149 and name HE% ) 2.400 2.400 3.600 peak 736 spectrum 1 weight 0.10000E+01 volume 0.55935E-02 ppm1 0.614 ppm2 6.531 CV 1 OR { 736} ( segid " " and resid 168 and name HG2%) ( segid " " and resid 49 and name HE% ) ASSI { 748} (( segid " " and resid 71 and name HA )) (( segid " " and resid 75 and name HD22)) 3.900 1.900 1.900 peak 748 spectrum 1 weight 0.10000E+01 volume 0.16815E-02 ppm1 4.197 ppm2 6.058 CV 1 OR { 748} (( segid " " and resid 171 and name HA )) (( segid " " and resid 175 and name HD22)) ASSI { 750} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 75 and name HD22)) 3.500 3.500 2.500 peak 750 spectrum 1 weight 0.10000E+01 volume 0.88867E-03 ppm1 1.939 ppm2 6.054 CV 1 OR { 750} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 175 and name HD22)) ASSI { 751} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 75 and name HD22)) 4.200 2.200 1.800 peak 751 spectrum 1 weight 0.10000E+01 volume 0.14232E-02 ppm1 1.789 ppm2 6.049 CV 1 OR { 751} (( segid " " and resid 174 and name HB2 )) (( segid " " and resid 175 and name HD22)) ASSI { 752} (( segid " " and resid 175 and name HB2 )) (( segid " " and resid 175 and name HD22)) 3.500 1.500 1.500 peak 752 spectrum 1 weight 0.10000E+01 volume 0.25891E-02 ppm1 1.698 ppm2 6.053 CV 1 OR { 752} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HD22)) ASSI { 753} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HD22)) 3.400 1.400 1.400 peak 753 spectrum 1 weight 0.10000E+01 volume 0.22238E-02 ppm1 0.784 ppm2 6.054 CV 1 OR { 753} (( segid " " and resid 175 and name HB1 )) (( segid " " and resid 175 and name HD22)) ASSI { 760} (( segid " " and resid 139 and name HA )) (( segid " " and resid 138 and name HA )) 5.500 3.800 0.500 peak 760 spectrum 1 weight 0.10000E+01 volume 0.78646E-04 ppm1 3.982 ppm2 5.140 CV 1 OR { 760} (( segid " " and resid 39 and name HA )) (( segid " " and resid 38 and name HA )) OR { 760} (( segid " " and resid 139 and name HA )) (( segid " " and resid 140 and name HA )) OR { 760} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HA )) ASSI { 761} (( segid " " and resid 139 and name HA )) (( segid " " and resid 138 and name HA )) 5.000 3.100 1.000 peak 761 spectrum 1 weight 0.10000E+01 volume 0.15521E-03 ppm1 3.970 ppm2 5.123 CV 1 OR { 761} (( segid " " and resid 39 and name HA )) (( segid " " and resid 38 and name HA )) ASSI { 763} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 141 and name HA )) 4.500 2.500 1.500 peak 763 spectrum 1 weight 0.10000E+01 volume 0.15258E-02 ppm1 2.841 ppm2 5.128 CV 1 OR { 763} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 41 and name HA )) ASSI { 766} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 141 and name HA )) 4.500 2.500 1.500 peak 766 spectrum 1 weight 0.10000E+01 volume 0.73834E-03 ppm1 2.736 ppm2 5.124 CV 1 OR { 766} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 41 and name HA )) ASSI { 768} ( segid " " and resid 137 and name HG2%) (( segid " " and resid 40 and name HA )) 3.600 1.600 1.600 peak 768 spectrum 1 weight 0.10000E+01 volume 0.12296E-02 ppm1 0.655 ppm2 5.144 CV 1 OR { 768} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 140 and name HA )) OR { 768} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 141 and name HA )) ASSI { 769} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 138 and name HA )) 3.300 1.300 1.300 peak 769 spectrum 1 weight 0.10000E+01 volume 0.15586E-02 ppm1 0.472 ppm2 5.120 CV 1 OR { 769} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 38 and name HA )) ASSI { 770} (( segid " " and resid 137 and name HA )) (( segid " " and resid 138 and name HA )) 4.700 2.700 1.300 peak 770 spectrum 1 weight 0.10000E+01 volume 0.23796E-03 ppm1 4.147 ppm2 5.111 CV 1 OR { 770} (( segid " " and resid 37 and name HA )) (( segid " " and resid 38 and name HA )) ASSI { 775} (( segid " " and resid 137 and name HB )) (( segid " " and resid 138 and name HA )) 6.000 5.600 0.000 peak 775 spectrum 1 weight 0.10000E+01 volume 0.19404E-04 ppm1 2.218 ppm2 5.101 CV 1 OR { 775} (( segid " " and resid 37 and name HB )) (( segid " " and resid 38 and name HA )) OR { 775} (( segid " " and resid 37 and name HB )) (( segid " " and resid 138 and name HA )) OR { 775} (( segid " " and resid 37 and name HB )) (( segid " " and resid 141 and name HA )) ASSI { 776} (( segid " " and resid 139 and name HB )) (( segid " " and resid 138 and name HA )) 4.200 2.200 1.800 peak 776 spectrum 1 weight 0.10000E+01 volume 0.68507E-03 ppm1 1.806 ppm2 5.101 CV 1 OR { 776} (( segid " " and resid 39 and name HB )) (( segid " " and resid 38 and name HA )) ASSI { 777} ( segid " " and resid 137 and name HG1%) (( segid " " and resid 138 and name HA )) 3.300 3.300 2.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.12443E-02 ppm1 0.827 ppm2 5.099 CV 1 OR { 777} ( segid " " and resid 37 and name HG1%) (( segid " " and resid 38 and name HA )) ASSI { 778} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 41 and name HA )) 3.200 1.300 1.300 peak 778 spectrum 1 weight 0.10000E+01 volume 0.22626E-02 ppm1 0.776 ppm2 5.095 CV 1 OR { 778} ( segid " " and resid 139 and name HG1%) (( segid " " and resid 138 and name HA )) OR { 778} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 38 and name HA )) ASSI { 779} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HA )) 2.300 0.600 0.600 peak 779 spectrum 1 weight 0.10000E+01 volume 0.57373E-02 ppm1 3.976 ppm2 4.961 CV 1 OR { 779} (( segid " " and resid 158 and name HB )) (( segid " " and resid 158 and name HA )) ASSI { 780} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HA )) 3.200 1.300 1.300 peak 780 spectrum 1 weight 0.10000E+01 volume 0.19895E-02 ppm1 1.185 ppm2 4.948 CV 1 OR { 780} ( segid " " and resid 158 and name HG2%) (( segid " " and resid 158 and name HA )) ASSI { 781} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 149 and name HA )) 3.400 1.400 1.400 peak 781 spectrum 1 weight 0.10000E+01 volume 0.67685E-03 ppm1 3.260 ppm2 4.881 CV 1 OR { 781} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 49 and name HA )) ASSI { 783} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 149 and name HA )) 3.900 1.900 1.900 peak 783 spectrum 1 weight 0.10000E+01 volume 0.21911E-03 ppm1 3.094 ppm2 4.885 CV 1 OR { 783} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HA )) ASSI { 784} ( segid " " and resid 52 and name HB% ) (( segid " " and resid 49 and name HA )) 2.500 2.500 3.500 peak 784 spectrum 1 weight 0.10000E+01 volume 0.29676E-02 ppm1 1.820 ppm2 4.887 CV 1 OR { 784} ( segid " " and resid 152 and name HB% ) (( segid " " and resid 149 and name HA )) ASSI { 786} ( segid " " and resid 72 and name HD1%) (( segid " " and resid 149 and name HA )) 3.600 1.600 1.600 peak 786 spectrum 1 weight 0.10000E+01 volume 0.90993E-03 ppm1 0.877 ppm2 4.886 CV 1 OR { 786} ( segid " " and resid 172 and name HD1%) (( segid " " and resid 49 and name HA )) ASSI { 797} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 142 and name HA )) 2.300 0.700 0.700 peak 797 spectrum 1 weight 0.10000E+01 volume 0.53224E-02 ppm1 2.842 ppm2 4.810 CV 1 OR { 797} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 42 and name HA )) ASSI { 798} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HA )) 2.500 0.800 0.800 peak 798 spectrum 1 weight 0.10000E+01 volume 0.46876E-02 ppm1 2.736 ppm2 4.812 CV 1 OR { 798} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 142 and name HA )) ASSI { 799} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 142 and name HA )) 6.000 6.000 0.000 peak 799 spectrum 1 weight 0.10000E+01 volume 0.19116E-04 ppm1 2.097 ppm2 4.797 CV 1 OR { 799} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 42 and name HA )) OR { 799} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 142 and name HA )) ASSI { 800} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 142 and name HA )) 2.100 2.100 3.900 peak 800 spectrum 1 weight 0.10000E+01 volume 0.28718E-02 ppm1 0.737 ppm2 4.805 CV 1 OR { 800} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 42 and name HA )) ASSI { 801} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 142 and name HA )) 3.300 1.300 1.300 peak 801 spectrum 1 weight 0.10000E+01 volume 0.11332E-02 ppm1 0.716 ppm2 4.804 CV 1 OR { 801} ( segid " " and resid 134 and name HG2%) (( segid " " and resid 42 and name HA )) ASSI { 802} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HA )) 2.500 0.800 0.800 peak 802 spectrum 1 weight 0.10000E+01 volume 0.37193E-02 ppm1 4.106 ppm2 4.751 CV 1 OR { 802} (( segid " " and resid 159 and name HB1 )) (( segid " " and resid 159 and name HA )) OR { 802} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HA )) OR { 802} (( segid " " and resid 159 and name HB2 )) (( segid " " and resid 159 and name HA )) ASSI { 803} (( segid " " and resid 61 and name HA )) (( segid " " and resid 59 and name HA )) 3.100 3.100 2.900 peak 803 spectrum 1 weight 0.10000E+01 volume 0.48221E-02 ppm1 3.837 ppm2 4.754 CV 1 OR { 803} (( segid " " and resid 161 and name HA )) (( segid " " and resid 159 and name HA )) ASSI { 807} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HA )) 4.500 2.500 1.500 peak 807 spectrum 1 weight 0.10000E+01 volume 0.14335E-03 ppm1 3.194 ppm2 4.769 CV 1 OR { 807} (( segid " " and resid 107 and name HB2 )) (( segid " " and resid 107 and name HA )) ASSI { 815} (( segid " " and resid 18 and name HB1 )) (( segid " " and resid 18 and name HA )) 2.900 1.100 1.100 peak 815 spectrum 1 weight 0.10000E+01 volume 0.18670E-02 ppm1 2.867 ppm2 4.693 CV 1 OR { 815} (( segid " " and resid 118 and name HB2 )) (( segid " " and resid 118 and name HA )) ASSI { 817} (( segid " " and resid 118 and name HB1 )) (( segid " " and resid 118 and name HA )) 2.900 1.100 1.100 peak 817 spectrum 1 weight 0.10000E+01 volume 0.18227E-02 ppm1 2.769 ppm2 4.690 CV 1 OR { 817} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 18 and name HA )) ASSI { 822} (( segid " " and resid 115 and name HB2 )) (( segid " " and resid 115 and name HA )) 2.800 1.000 1.000 peak 822 spectrum 1 weight 0.10000E+01 volume 0.19860E-02 ppm1 3.032 ppm2 4.650 CV 1 OR { 822} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HA )) ASSI { 826} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 36 and name HA )) 3.900 1.900 1.900 peak 826 spectrum 1 weight 0.10000E+01 volume 0.70889E-03 ppm1 3.098 ppm2 4.585 CV 1 OR { 826} (( segid " " and resid 136 and name HD2 )) (( segid " " and resid 136 and name HA )) ASSI { 830} (( segid " " and resid 120 and name HB1 )) (( segid " " and resid 120 and name HA )) 2.800 1.000 1.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.26083E-02 ppm1 2.616 ppm2 4.572 CV 1 OR { 830} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HA )) ASSI { 832} (( segid " " and resid 137 and name HB )) (( segid " " and resid 136 and name HA )) 4.100 2.100 1.900 peak 832 spectrum 1 weight 0.10000E+01 volume 0.62970E-03 ppm1 2.217 ppm2 4.596 CV 1 OR { 832} (( segid " " and resid 37 and name HB )) (( segid " " and resid 36 and name HA )) ASSI { 842} ( segid " " and resid 137 and name HG1%) (( segid " " and resid 136 and name HA )) 6.000 6.000 0.000 peak 842 spectrum 1 weight 0.10000E+01 volume 0.19242E-04 ppm1 0.824 ppm2 4.576 CV 1 OR { 842} ( segid " " and resid 37 and name HG1%) (( segid " " and resid 36 and name HA )) ASSI { 844} ( segid " " and resid 137 and name HG2%) (( segid " " and resid 136 and name HA )) 2.900 2.900 3.100 peak 844 spectrum 1 weight 0.10000E+01 volume 0.21908E-02 ppm1 0.658 ppm2 4.581 CV 1 OR { 844} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 36 and name HA )) ASSI { 846} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HA )) 3.100 3.100 2.900 peak 846 spectrum 1 weight 0.10000E+01 volume 0.54710E-02 ppm1 3.883 ppm2 4.543 CV 1 OR { 846} (( segid " " and resid 172 and name HA )) (( segid " " and resid 175 and name HA )) ASSI { 847} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HA )) 2.400 0.700 0.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.53662E-02 ppm1 3.868 ppm2 4.550 CV 1 OR { 847} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 109 and name HA )) ASSI { 848} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 36 and name HA )) 3.700 1.700 1.700 peak 848 spectrum 1 weight 0.10000E+01 volume 0.59291E-03 ppm1 3.178 ppm2 4.568 CV 1 OR { 848} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 136 and name HA )) OR { 848} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 35 and name HA )) ASSI { 852} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HA )) 2.300 0.700 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.45905E-02 ppm1 1.697 ppm2 4.563 CV 1 OR { 852} (( segid " " and resid 175 and name HB2 )) (( segid " " and resid 175 and name HA )) ASSI { 853} (( segid " " and resid 135 and name HD2 )) (( segid " " and resid 135 and name HA )) 2.800 1.000 1.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.30122E-02 ppm1 1.531 ppm2 4.538 CV 1 OR { 853} (( segid " " and resid 35 and name HD1 )) (( segid " " and resid 35 and name HA )) ASSI { 854} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 135 and name HA )) 2.000 0.500 0.500 peak 854 spectrum 1 weight 0.10000E+01 volume 0.11728E-01 ppm1 1.480 ppm2 4.528 CV 1 OR { 854} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HA )) OR { 854} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HA )) OR { 854} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HA )) ASSI { 855} (( segid " " and resid 35 and name HD2 )) (( segid " " and resid 35 and name HA )) 2.900 1.000 1.000 peak 855 spectrum 1 weight 0.10000E+01 volume 0.22379E-02 ppm1 1.434 ppm2 4.542 CV 1 OR { 855} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 135 and name HA )) ASSI { 856} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HA )) 3.100 1.200 1.200 peak 856 spectrum 1 weight 0.10000E+01 volume 0.21064E-02 ppm1 0.784 ppm2 4.558 CV 1 OR { 856} (( segid " " and resid 175 and name HB1 )) (( segid " " and resid 175 and name HA )) ASSI { 858} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HA )) 2.100 0.600 0.600 peak 858 spectrum 1 weight 0.10000E+01 volume 0.12578E-01 ppm1 3.973 ppm2 4.507 CV 1 OR { 858} (( segid " " and resid 131 and name HB1 )) (( segid " " and resid 131 and name HA )) ASSI { 860} (( segid " " and resid 109 and name HB1 )) (( segid " " and resid 109 and name HA )) 2.000 0.500 0.500 peak 860 spectrum 1 weight 0.10000E+01 volume 0.17546E-01 ppm1 3.929 ppm2 4.523 CV 1 OR { 860} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HA )) OR { 860} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 131 and name HA )) OR { 860} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HA )) OR { 860} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HA )) OR { 860} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HA )) OR { 860} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 130 and name HA )) ASSI { 861} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HA )) 2.400 0.700 0.700 peak 861 spectrum 1 weight 0.10000E+01 volume 0.86988E-02 ppm1 3.089 ppm2 4.493 CV 1 OR { 861} (( segid " " and resid 170 and name HB2 )) (( segid " " and resid 170 and name HA )) ASSI { 862} (( segid " " and resid 112 and name HE2 )) (( segid " " and resid 113 and name HA )) 2.600 2.600 3.400 peak 862 spectrum 1 weight 0.10000E+01 volume 0.73561E-03 ppm1 3.016 ppm2 4.494 CV 1 OR { 862} (( segid " " and resid 12 and name HE2 )) (( segid " " and resid 13 and name HA )) OR { 862} (( segid " " and resid 112 and name HE1 )) (( segid " " and resid 113 and name HA )) OR { 862} (( segid " " and resid 12 and name HE1 )) (( segid " " and resid 13 and name HA )) OR { 862} (( segid " " and resid 33 and name HE2 )) (( segid " " and resid 31 and name HA )) OR { 862} (( segid " " and resid 133 and name HE2 )) (( segid " " and resid 131 and name HA )) OR { 862} (( segid " " and resid 133 and name HE2 )) (( segid " " and resid 134 and name HA )) OR { 862} (( segid " " and resid 33 and name HE2 )) (( segid " " and resid 34 and name HA )) OR { 862} (( segid " " and resid 33 and name HE1 )) (( segid " " and resid 31 and name HA )) OR { 862} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 131 and name HA )) OR { 862} (( segid " " and resid 33 and name HE1 )) (( segid " " and resid 34 and name HA )) OR { 862} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 134 and name HA )) ASSI { 864} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HA )) 6.000 5.100 0.000 peak 864 spectrum 1 weight 0.10000E+01 volume 0.19579E-04 ppm1 2.793 ppm2 4.507 CV 1 OR { 864} (( segid " " and resid 35 and name HE1 )) (( segid " " and resid 35 and name HA )) OR { 864} (( segid " " and resid 135 and name HE2 )) (( segid " " and resid 135 and name HA )) OR { 864} (( segid " " and resid 35 and name HE2 )) (( segid " " and resid 35 and name HA )) ASSI { 866} (( segid " " and resid 29 and name HB )) (( segid " " and resid 28 and name HA )) 6.000 6.000 0.000 peak 866 spectrum 1 weight 0.10000E+01 volume 0.19607E-04 ppm1 2.095 ppm2 4.507 CV 1 OR { 866} (( segid " " and resid 129 and name HB )) (( segid " " and resid 128 and name HA )) OR { 866} (( segid " " and resid 110 and name HB )) (( segid " " and resid 109 and name HA )) OR { 866} (( segid " " and resid 10 and name HB )) (( segid " " and resid 9 and name HA )) ASSI { 867} (( segid " " and resid 28 and name HG1 )) (( segid " " and resid 28 and name HA )) 3.200 1.300 1.300 peak 867 spectrum 1 weight 0.10000E+01 volume 0.28614E-02 ppm1 2.036 ppm2 4.487 CV 1 OR { 867} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 128 and name HA )) OR { 867} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 28 and name HA )) OR { 867} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HA )) ASSI { 868} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 134 and name HA )) 2.600 2.600 3.400 peak 868 spectrum 1 weight 0.10000E+01 volume 0.60862E-02 ppm1 2.000 ppm2 4.496 CV 1 OR { 868} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 135 and name HA )) OR { 868} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 134 and name HA )) OR { 868} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 135 and name HA )) ASSI { 871} (( segid " " and resid 134 and name HG11)) (( segid " " and resid 134 and name HA )) 2.600 0.800 0.800 peak 871 spectrum 1 weight 0.10000E+01 volume 0.31599E-02 ppm1 1.212 ppm2 4.490 CV 1 OR { 871} (( segid " " and resid 34 and name HG12)) (( segid " " and resid 34 and name HA )) ASSI { 872} (( segid " " and resid 35 and name HG1 )) (( segid " " and resid 35 and name HA )) 3.300 1.400 1.400 peak 872 spectrum 1 weight 0.10000E+01 volume 0.21815E-02 ppm1 1.206 ppm2 4.522 CV 1 OR { 872} (( segid " " and resid 135 and name HG1 )) (( segid " " and resid 135 and name HA )) OR { 872} (( segid " " and resid 35 and name HG1 )) (( segid " " and resid 34 and name HA )) ASSI { 874} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 35 and name HA )) 2.600 0.900 0.900 peak 874 spectrum 1 weight 0.10000E+01 volume 0.23853E-02 ppm1 0.948 ppm2 4.523 CV 1 OR { 874} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 135 and name HA )) OR { 874} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 34 and name HA )) ASSI { 875} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 134 and name HA )) 2.800 2.800 3.200 peak 875 spectrum 1 weight 0.10000E+01 volume 0.67897E-02 ppm1 0.737 ppm2 4.505 CV 1 OR { 875} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 34 and name HA )) ASSI { 876} ( segid " " and resid 134 and name HG2%) (( segid " " and resid 134 and name HA )) 2.100 2.100 3.900 peak 876 spectrum 1 weight 0.10000E+01 volume 0.98186E-02 ppm1 0.716 ppm2 4.514 CV 1 OR { 876} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 34 and name HA )) ASSI { 877} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 28 and name HA )) 2.200 0.600 0.600 peak 877 spectrum 1 weight 0.10000E+01 volume 0.79562E-02 ppm1 2.300 ppm2 4.476 CV 1 OR { 877} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HA )) ASSI { 879} (( segid " " and resid 174 and name HG1 )) (( segid " " and resid 170 and name HA )) 3.100 1.200 1.200 peak 879 spectrum 1 weight 0.10000E+01 volume 0.83846E-03 ppm1 2.284 ppm2 4.478 CV 1 OR { 879} (( segid " " and resid 74 and name HG1 )) (( segid " " and resid 70 and name HA )) OR { 879} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 134 and name HA )) OR { 879} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 134 and name HA )) ASSI { 880} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 128 and name HA )) 2.400 0.700 0.700 peak 880 spectrum 1 weight 0.10000E+01 volume 0.41820E-02 ppm1 1.905 ppm2 4.480 CV 1 OR { 880} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HA )) ASSI { 882} (( segid " " and resid 134 and name HB )) (( segid " " and resid 134 and name HA )) 2.300 0.700 0.700 peak 882 spectrum 1 weight 0.10000E+01 volume 0.68399E-02 ppm1 1.754 ppm2 4.474 CV 1 OR { 882} (( segid " " and resid 34 and name HB )) (( segid " " and resid 34 and name HA )) ASSI { 884} (( segid " " and resid 34 and name HG11)) (( segid " " and resid 34 and name HA )) 2.600 0.900 0.900 peak 884 spectrum 1 weight 0.10000E+01 volume 0.26349E-02 ppm1 1.419 ppm2 4.477 CV 1 OR { 884} (( segid " " and resid 134 and name HG12)) (( segid " " and resid 134 and name HA )) ASSI { 889} (( segid " " and resid 162 and name HB1 )) (( segid " " and resid 162 and name HA )) 2.500 0.800 0.800 peak 889 spectrum 1 weight 0.10000E+01 volume 0.48157E-02 ppm1 2.591 ppm2 4.431 CV 1 OR { 889} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HA )) ASSI { 905} ( segid " " and resid 158 and name HG2%) (( segid " " and resid 156 and name HA )) 3.800 1.800 1.800 peak 905 spectrum 1 weight 0.10000E+01 volume 0.31908E-03 ppm1 1.182 ppm2 4.421 CV 1 OR { 905} ( segid " " and resid 158 and name HG2%) (( segid " " and resid 162 and name HA )) OR { 905} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 62 and name HA )) ASSI { 906} (( segid " " and resid 55 and name HA )) (( segid " " and resid 56 and name HA )) 2.900 1.100 1.100 peak 906 spectrum 1 weight 0.10000E+01 volume 0.33012E-02 ppm1 4.159 ppm2 4.387 CV 1 OR { 906} (( segid " " and resid 155 and name HA )) (( segid " " and resid 156 and name HA )) OR { 906} (( segid " " and resid 166 and name HA )) (( segid " " and resid 169 and name HA )) OR { 906} (( segid " " and resid 66 and name HA )) (( segid " " and resid 69 and name HA )) ASSI { 907} (( segid " " and resid 169 and name HB2 )) (( segid " " and resid 169 and name HA )) 2.500 0.800 0.800 peak 907 spectrum 1 weight 0.10000E+01 volume 0.55524E-02 ppm1 2.977 ppm2 4.390 CV 1 OR { 907} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HA )) OR { 907} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 62 and name HA )) ASSI { 908} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 62 and name HA )) 2.100 0.500 0.500 peak 908 spectrum 1 weight 0.10000E+01 volume 0.11335E-01 ppm1 2.668 ppm2 4.394 CV 1 OR { 908} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 69 and name HA )) OR { 908} (( segid " " and resid 169 and name HB1 )) (( segid " " and resid 169 and name HA )) OR { 908} (( segid " " and resid 162 and name HB2 )) (( segid " " and resid 162 and name HA )) OR { 908} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HA )) ASSI { 909} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 69 and name HA )) 3.300 1.300 1.300 peak 909 spectrum 1 weight 0.10000E+01 volume 0.54842E-03 ppm1 2.090 ppm2 4.381 CV 1 OR { 909} (( segid " " and resid 172 and name HB1 )) (( segid " " and resid 169 and name HA )) ASSI { 915} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 69 and name HA )) 3.300 1.400 1.400 peak 915 spectrum 1 weight 0.10000E+01 volume 0.82431E-03 ppm1 0.053 ppm2 4.390 CV 1 OR { 915} ( segid " " and resid 168 and name HG1%) (( segid " " and resid 169 and name HA )) ASSI { 917} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HA )) 2.400 0.700 0.700 peak 917 spectrum 1 weight 0.10000E+01 volume 0.46175E-02 ppm1 1.835 ppm2 4.344 CV 1 OR { 917} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HA )) ASSI { 918} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HA )) 2.200 0.600 0.600 peak 918 spectrum 1 weight 0.10000E+01 volume 0.94725E-02 ppm1 1.760 ppm2 4.320 CV 1 OR { 918} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 23 and name HA )) OR { 918} (( segid " " and resid 123 and name HB1 )) (( segid " " and resid 123 and name HA )) OR { 918} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HA )) OR { 918} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 123 and name HA )) ASSI { 924} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 14 and name HA )) 2.700 0.900 0.900 peak 924 spectrum 1 weight 0.10000E+01 volume 0.33755E-02 ppm1 1.131 ppm2 4.330 CV 1 OR { 924} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 114 and name HA )) OR { 924} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 108 and name HA )) OR { 924} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 8 and name HA )) ASSI { 925} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 69 and name HA )) 3.400 3.400 2.600 peak 925 spectrum 1 weight 0.10000E+01 volume 0.12766E-02 ppm1 1.059 ppm2 4.344 CV 1 OR { 925} ( segid " " and resid 172 and name HD2%) (( segid " " and resid 169 and name HA )) ASSI { 926} (( segid " " and resid 76 and name HA )) (( segid " " and resid 152 and name HA )) 5.500 3.700 0.500 peak 926 spectrum 1 weight 0.10000E+01 volume 0.38793E-04 ppm1 3.884 ppm2 4.287 CV 1 OR { 926} (( segid " " and resid 176 and name HA )) (( segid " " and resid 52 and name HA )) ASSI { 927} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 23 and name HA )) 3.800 1.800 1.800 peak 927 spectrum 1 weight 0.10000E+01 volume 0.86348E-03 ppm1 3.177 ppm2 4.302 CV 1 OR { 927} (( segid " " and resid 123 and name HD2 )) (( segid " " and resid 123 and name HA )) OR { 927} (( segid " " and resid 19 and name HD1 )) (( segid " " and resid 19 and name HA )) OR { 927} (( segid " " and resid 119 and name HD1 )) (( segid " " and resid 119 and name HA )) OR { 927} (( segid " " and resid 19 and name HD2 )) (( segid " " and resid 19 and name HA )) OR { 927} (( segid " " and resid 119 and name HD2 )) (( segid " " and resid 119 and name HA )) OR { 927} (( segid " " and resid 123 and name HD1 )) (( segid " " and resid 123 and name HA )) ASSI { 928} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 52 and name HA )) 2.500 0.800 0.800 peak 928 spectrum 1 weight 0.10000E+01 volume 0.24144E-02 ppm1 2.116 ppm2 4.297 CV 1 OR { 928} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 152 and name HA )) ASSI { 932} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HA )) 2.400 0.700 0.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.63384E-02 ppm1 1.813 ppm2 4.303 CV 1 OR { 932} (( segid " " and resid 111 and name HB1 )) (( segid " " and resid 111 and name HA )) ASSI { 934} (( segid " " and resid 112 and name HB1 )) (( segid " " and resid 112 and name HA )) 2.200 0.600 0.600 peak 934 spectrum 1 weight 0.10000E+01 volume 0.79512E-02 ppm1 1.745 ppm2 4.302 CV 1 OR { 934} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HA )) OR { 934} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HA )) OR { 934} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HA )) OR { 934} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HA )) ASSI { 937} (( segid " " and resid 19 and name HG1 )) (( segid " " and resid 19 and name HA )) 2.300 0.700 0.700 peak 937 spectrum 1 weight 0.10000E+01 volume 0.58134E-02 ppm1 1.626 ppm2 4.298 CV 1 OR { 937} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 119 and name HA )) OR { 937} (( segid " " and resid 123 and name HG1 )) (( segid " " and resid 123 and name HA )) OR { 937} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 23 and name HA )) OR { 937} (( segid " " and resid 123 and name HG2 )) (( segid " " and resid 123 and name HA )) OR { 937} (( segid " " and resid 19 and name HG2 )) (( segid " " and resid 19 and name HA )) OR { 937} (( segid " " and resid 119 and name HG2 )) (( segid " " and resid 119 and name HA )) ASSI { 938} (( segid " " and resid 103 and name HB1 )) (( segid " " and resid 105 and name HA )) 2.600 2.600 3.400 peak 938 spectrum 1 weight 0.10000E+01 volume 0.50714E-02 ppm1 1.608 ppm2 4.280 CV 1 OR { 938} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 5 and name HA )) ASSI { 939} (( segid " " and resid 111 and name HG1 )) (( segid " " and resid 111 and name HA )) 3.300 1.400 1.400 peak 939 spectrum 1 weight 0.10000E+01 volume 0.70140E-03 ppm1 1.446 ppm2 4.295 CV 1 OR { 939} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HA )) OR { 939} (( segid " " and resid 112 and name HG1 )) (( segid " " and resid 112 and name HA )) OR { 939} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 12 and name HA )) ASSI { 940} ( segid " " and resid 121 and name HD2%) (( segid " " and resid 121 and name HA )) 4.200 2.200 1.800 peak 940 spectrum 1 weight 0.10000E+01 volume 0.29001E-03 ppm1 0.936 ppm2 4.284 CV 1 OR { 940} ( segid " " and resid 21 and name HD2%) (( segid " " and resid 21 and name HA )) ASSI { 942} (( segid " " and resid 173 and name HA )) (( segid " " and resid 174 and name HA )) 3.100 1.200 1.200 peak 942 spectrum 1 weight 0.10000E+01 volume 0.15126E-02 ppm1 4.039 ppm2 4.248 CV 1 OR { 942} (( segid " " and resid 73 and name HA )) (( segid " " and resid 74 and name HA )) ASSI { 943} (( segid " " and resid 122 and name HG1 )) (( segid " " and resid 122 and name HA )) 2.000 0.500 0.500 peak 943 spectrum 1 weight 0.10000E+01 volume 0.11464E-01 ppm1 2.303 ppm2 4.247 CV 1 OR { 943} (( segid " " and resid 22 and name HG1 )) (( segid " " and resid 22 and name HA )) ASSI { 944} (( segid " " and resid 104 and name HG2 )) (( segid " " and resid 104 and name HA )) 2.800 1.000 1.000 peak 944 spectrum 1 weight 0.10000E+01 volume 0.27291E-02 ppm1 2.242 ppm2 4.262 CV 1 OR { 944} (( segid " " and resid 4 and name HG2 )) (( segid " " and resid 4 and name HA )) OR { 944} (( segid " " and resid 122 and name HG2 )) (( segid " " and resid 122 and name HA )) OR { 944} (( segid " " and resid 22 and name HG2 )) (( segid " " and resid 22 and name HA )) OR { 944} (( segid " " and resid 104 and name HG1 )) (( segid " " and resid 104 and name HA )) ASSI { 946} (( segid " " and resid 122 and name HB1 )) (( segid " " and resid 122 and name HA )) 2.400 0.700 0.700 peak 946 spectrum 1 weight 0.10000E+01 volume 0.77912E-02 ppm1 2.052 ppm2 4.258 CV 1 OR { 946} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HA )) ASSI { 953} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 117 and name HA )) 2.300 0.700 0.700 peak 953 spectrum 1 weight 0.10000E+01 volume 0.76153E-02 ppm1 1.945 ppm2 4.265 CV 1 OR { 953} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HA )) OR { 953} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HA )) OR { 953} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HA )) OR { 953} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HA )) OR { 953} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 104 and name HA )) OR { 953} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HA )) OR { 953} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HA )) OR { 953} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HA )) ASSI { 960} ( segid " " and resid 106 and name HB% ) (( segid " " and resid 106 and name HA )) 2.100 0.500 0.500 peak 960 spectrum 1 weight 0.10000E+01 volume 0.14952E-01 ppm1 1.362 ppm2 4.273 CV 1 OR { 960} ( segid " " and resid 6 and name HB% ) (( segid " " and resid 6 and name HA )) ASSI { 964} (( segid " " and resid 75 and name HA )) (( segid " " and resid 71 and name HA )) 5.200 3.400 0.800 peak 964 spectrum 1 weight 0.10000E+01 volume 0.21009E-03 ppm1 4.562 ppm2 4.219 CV 1 OR { 964} (( segid " " and resid 175 and name HA )) (( segid " " and resid 171 and name HA )) ASSI { 965} (( segid " " and resid 147 and name HB )) (( segid " " and resid 144 and name HA )) 2.300 0.700 0.700 peak 965 spectrum 1 weight 0.10000E+01 volume 0.52379E-02 ppm1 4.428 ppm2 4.196 CV 1 OR { 965} (( segid " " and resid 47 and name HB )) (( segid " " and resid 44 and name HA )) ASSI { 968} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 44 and name HA )) 2.700 2.700 3.300 peak 968 spectrum 1 weight 0.10000E+01 volume 0.53210E-02 ppm1 3.352 ppm2 4.195 CV 1 OR { 968} (( segid " " and resid 146 and name HB1 )) (( segid " " and resid 144 and name HA )) OR { 968} (( segid " " and resid 146 and name HB1 )) (( segid " " and resid 148 and name HA )) ASSI { 969} ( segid " " and resid 51 and name HB% ) (( segid " " and resid 51 and name HA )) 1.700 1.700 4.300 peak 969 spectrum 1 weight 0.10000E+01 volume 0.49704E-01 ppm1 1.558 ppm2 4.217 CV 1 OR { 969} ( segid " " and resid 151 and name HB% ) (( segid " " and resid 151 and name HA )) ASSI { 971} (( segid " " and resid 145 and name HA )) (( segid " " and resid 144 and name HA )) 3.700 1.700 1.700 peak 971 spectrum 1 weight 0.10000E+01 volume 0.68666E-03 ppm1 3.960 ppm2 4.172 CV 1 OR { 971} (( segid " " and resid 45 and name HA )) (( segid " " and resid 44 and name HA )) OR { 971} (( segid " " and resid 145 and name HA )) (( segid " " and resid 148 and name HA )) OR { 971} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HA )) ASSI { 972} (( segid " " and resid 147 and name HA )) (( segid " " and resid 148 and name HA )) 6.000 4.600 0.000 peak 972 spectrum 1 weight 0.10000E+01 volume 0.41210E-04 ppm1 3.654 ppm2 4.182 CV 1 OR { 972} (( segid " " and resid 47 and name HA )) (( segid " " and resid 48 and name HA )) OR { 972} (( segid " " and resid 47 and name HA )) (( segid " " and resid 44 and name HA )) OR { 972} (( segid " " and resid 147 and name HA )) (( segid " " and resid 144 and name HA )) ASSI { 973} (( segid " " and resid 164 and name HA )) (( segid " " and resid 167 and name HA )) 6.000 6.000 0.000 peak 973 spectrum 1 weight 0.10000E+01 volume 0.20422E-04 ppm1 3.403 ppm2 4.178 CV 1 OR { 973} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HA )) OR { 973} (( segid " " and resid 64 and name HA )) (( segid " " and resid 66 and name HA )) OR { 973} (( segid " " and resid 164 and name HA )) (( segid " " and resid 166 and name HA )) ASSI { 975} (( segid " " and resid 68 and name HA )) (( segid " " and resid 167 and name HA )) 5.600 3.900 0.400 peak 975 spectrum 1 weight 0.10000E+01 volume 0.12141E-03 ppm1 3.287 ppm2 4.185 CV 1 OR { 975} (( segid " " and resid 168 and name HA )) (( segid " " and resid 67 and name HA )) OR { 975} (( segid " " and resid 168 and name HA )) (( segid " " and resid 171 and name HA )) OR { 975} (( segid " " and resid 68 and name HA )) (( segid " " and resid 71 and name HA )) ASSI { 977} (( segid " " and resid 148 and name HD1 )) (( segid " " and resid 148 and name HA )) 3.900 1.900 1.900 peak 977 spectrum 1 weight 0.10000E+01 volume 0.64044E-03 ppm1 3.265 ppm2 4.150 CV 1 OR { 977} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HA )) OR { 977} (( segid " " and resid 155 and name HD2 )) (( segid " " and resid 155 and name HA )) OR { 977} (( segid " " and resid 48 and name HD2 )) (( segid " " and resid 48 and name HA )) ASSI { 979} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 67 and name HA )) 2.600 0.900 0.900 peak 979 spectrum 1 weight 0.10000E+01 volume 0.22112E-02 ppm1 3.092 ppm2 4.173 CV 1 OR { 979} (( segid " " and resid 170 and name HB2 )) (( segid " " and resid 167 and name HA )) OR { 979} (( segid " " and resid 170 and name HB2 )) (( segid " " and resid 171 and name HA )) OR { 979} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 71 and name HA )) ASSI { 980} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 67 and name HA )) 3.200 1.300 1.300 peak 980 spectrum 1 weight 0.10000E+01 volume 0.98615E-03 ppm1 3.076 ppm2 4.182 CV 1 OR { 980} (( segid " " and resid 170 and name HB2 )) (( segid " " and resid 167 and name HA )) OR { 980} (( segid " " and resid 170 and name HB1 )) (( segid " " and resid 171 and name HA )) OR { 980} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 71 and name HA )) OR { 980} (( segid " " and resid 170 and name HB2 )) (( segid " " and resid 171 and name HA )) OR { 980} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 71 and name HA )) OR { 980} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 67 and name HA )) OR { 980} (( segid " " and resid 170 and name HB1 )) (( segid " " and resid 167 and name HA )) ASSI { 983} (( segid " " and resid 169 and name HB1 )) (( segid " " and resid 166 and name HA )) 3.100 1.200 1.200 peak 983 spectrum 1 weight 0.10000E+01 volume 0.24654E-02 ppm1 2.675 ppm2 4.158 CV 1 OR { 983} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 66 and name HA )) OR { 983} (( segid " " and resid 165 and name HB2 )) (( segid " " and resid 166 and name HA )) ASSI { 986} (( segid " " and resid 66 and name HG2 )) (( segid " " and resid 66 and name HA )) 2.500 0.800 0.800 peak 986 spectrum 1 weight 0.10000E+01 volume 0.48550E-02 ppm1 2.432 ppm2 4.159 CV 1 OR { 986} (( segid " " and resid 166 and name HG1 )) (( segid " " and resid 166 and name HA )) ASSI { 995} (( segid " " and resid 67 and name HG )) (( segid " " and resid 67 and name HA )) 3.600 1.600 1.600 peak 995 spectrum 1 weight 0.10000E+01 volume 0.91054E-03 ppm1 2.012 ppm2 4.172 CV 1 OR { 995} (( segid " " and resid 167 and name HG )) (( segid " " and resid 167 and name HA )) OR { 995} (( segid " " and resid 67 and name HG )) (( segid " " and resid 66 and name HA )) ASSI { 997} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HA )) 2.400 0.700 0.700 peak 997 spectrum 1 weight 0.10000E+01 volume 0.51337E-02 ppm1 1.925 ppm2 4.159 CV 1 OR { 997} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 55 and name HA )) OR { 997} (( segid " " and resid 155 and name HG2 )) (( segid " " and resid 155 and name HA )) OR { 997} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HA )) OR { 997} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 155 and name HA )) ASSI { 998} (( segid " " and resid 167 and name HB1 )) (( segid " " and resid 167 and name HA )) 2.600 0.800 0.800 peak 998 spectrum 1 weight 0.10000E+01 volume 0.18982E-02 ppm1 1.917 ppm2 4.178 CV 1 OR { 998} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HA )) OR { 998} (( segid " " and resid 167 and name HB2 )) (( segid " " and resid 167 and name HA )) OR { 998} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HA )) OR { 998} (( segid " " and resid 167 and name HB2 )) (( segid " " and resid 67 and name HA )) OR { 998} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 167 and name HA )) ASSI { 1000} ( segid " " and resid 127 and name HB% ) (( segid " " and resid 129 and name HA )) 4.400 2.400 1.600 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.13300E-03 ppm1 1.372 ppm2 4.163 CV 1 OR { 1000} ( segid " " and resid 27 and name HB% ) (( segid " " and resid 29 and name HA )) ASSI { 1005} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 125 and name HA )) 2.400 2.400 3.600 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.13275E-01 ppm1 1.204 ppm2 4.157 CV 1 OR { 1005} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 25 and name HA )) ASSI { 1008} ( segid " " and resid 114 and name HG2%) (( segid " " and resid 114 and name HB )) 2.300 0.700 0.700 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.60304E-02 ppm1 1.130 ppm2 4.152 CV 1 OR { 1008} ( segid " " and resid 14 and name HG2%) (( segid " " and resid 14 and name HB )) OR { 1008} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 108 and name HB )) OR { 1008} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 8 and name HB )) ASSI { 1009} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 67 and name HA )) 2.400 2.400 3.600 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.19889E-01 ppm1 1.079 ppm2 4.173 CV 1 OR { 1009} ( segid " " and resid 167 and name HD1%) (( segid " " and resid 167 and name HA )) OR { 1009} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 171 and name HA )) ASSI { 1012} ( segid " " and resid 110 and name HG2%) (( segid " " and resid 108 and name HB )) 1.600 1.600 4.400 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.14418E-01 ppm1 0.927 ppm2 4.169 CV 1 OR { 1012} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 8 and name HB )) OR { 1012} ( segid " " and resid 110 and name HG1%) (( segid " " and resid 108 and name HB )) ASSI { 1013} ( segid " " and resid 72 and name HD1%) (( segid " " and resid 148 and name HA )) 6.000 5.900 0.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.20633E-04 ppm1 0.876 ppm2 4.172 CV 1 OR { 1013} ( segid " " and resid 72 and name HD1%) (( segid " " and resid 144 and name HA )) OR { 1013} ( segid " " and resid 72 and name HD1%) (( segid " " and resid 71 and name HA )) ASSI { 1014} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HA )) 5.000 3.200 1.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.27132E-03 ppm1 0.620 ppm2 4.168 CV 1 OR { 1014} ( segid " " and resid 168 and name HG2%) (( segid " " and resid 167 and name HA )) OR { 1014} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 167 and name HA )) OR { 1014} ( segid " " and resid 168 and name HG2%) (( segid " " and resid 67 and name HA )) OR { 1014} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 71 and name HA )) OR { 1014} ( segid " " and resid 168 and name HG2%) (( segid " " and resid 171 and name HA )) ASSI { 1015} ( segid " " and resid 167 and name HD2%) (( segid " " and resid 167 and name HA )) 3.000 1.100 1.100 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.40790E-02 ppm1 0.567 ppm2 4.174 CV 1 OR { 1015} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 67 and name HA )) ASSI { 1016} ( segid " " and resid 168 and name HG1%) (( segid " " and resid 166 and name HA )) 6.000 6.000 0.000 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.19867E-04 ppm1 0.053 ppm2 4.168 CV 1 OR { 1016} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 66 and name HA )) OR { 1016} ( segid " " and resid 168 and name HG1%) (( segid " " and resid 167 and name HA )) OR { 1016} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 67 and name HA )) OR { 1016} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 167 and name HA )) OR { 1016} ( segid " " and resid 168 and name HG1%) (( segid " " and resid 67 and name HA )) OR { 1016} ( segid " " and resid 168 and name HG1%) (( segid " " and resid 171 and name HA )) ASSI { 1017} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 67 and name HA )) 5.700 4.100 0.300 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.83435E-04 ppm1 -0.195 ppm2 4.176 CV 1 OR { 1017} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 66 and name HA )) OR { 1017} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 171 and name HA )) OR { 1017} ( segid " " and resid 163 and name HG2%) (( segid " " and resid 166 and name HA )) ASSI { 1018} (( segid " " and resid 36 and name HA )) (( segid " " and resid 37 and name HA )) 6.000 6.000 0.000 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.19284E-04 ppm1 4.586 ppm2 4.117 CV 1 OR { 1018} (( segid " " and resid 136 and name HA )) (( segid " " and resid 137 and name HA )) ASSI { 1020} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB )) 1.700 0.300 0.500 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.39049E-01 ppm1 4.325 ppm2 4.133 CV 1 OR { 1020} (( segid " " and resid 114 and name HA )) (( segid " " and resid 114 and name HB )) ASSI { 1022} (( segid " " and resid 165 and name HB1 )) (( segid " " and resid 166 and name HA )) 2.600 2.600 3.400 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.30484E-02 ppm1 2.982 ppm2 4.146 CV 1 OR { 1022} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 66 and name HA )) ASSI { 1026} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 155 and name HA )) 2.300 0.700 0.700 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.70853E-02 ppm1 2.126 ppm2 4.138 CV 1 OR { 1026} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HA )) ASSI { 1027} (( segid " " and resid 110 and name HB )) (( segid " " and resid 110 and name HA )) 2.100 0.500 0.500 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.11442E-01 ppm1 2.086 ppm2 4.148 CV 1 OR { 1027} (( segid " " and resid 10 and name HB )) (( segid " " and resid 10 and name HA )) OR { 1027} (( segid " " and resid 29 and name HB )) (( segid " " and resid 29 and name HA )) OR { 1027} (( segid " " and resid 129 and name HB )) (( segid " " and resid 129 and name HA )) OR { 1027} (( segid " " and resid 24 and name HB )) (( segid " " and resid 24 and name HA )) ASSI { 1033} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 24 and name HA )) 2.200 2.200 3.800 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.12830E-01 ppm1 0.951 ppm2 4.144 CV 1 OR { 1033} ( segid " " and resid 124 and name HG1%) (( segid " " and resid 124 and name HA )) OR { 1033} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 124 and name HA )) ASSI { 1034} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 10 and name HA )) 2.300 0.600 0.600 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.86089E-02 ppm1 0.915 ppm2 4.124 CV 1 OR { 1034} ( segid " " and resid 110 and name HG1%) (( segid " " and resid 110 and name HA )) OR { 1034} ( segid " " and resid 110 and name HG2%) (( segid " " and resid 110 and name HA )) ASSI { 1036} ( segid " " and resid 137 and name HG2%) (( segid " " and resid 137 and name HA )) 2.200 2.200 3.800 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.75369E-02 ppm1 0.657 ppm2 4.139 CV 1 OR { 1036} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 37 and name HA )) ASSI { 1037} (( segid " " and resid 62 and name HA )) (( segid " " and resid 61 and name HB )) 6.000 5.600 0.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.19734E-04 ppm1 4.435 ppm2 4.073 CV 1 OR { 1037} (( segid " " and resid 162 and name HA )) (( segid " " and resid 161 and name HB )) OR { 1037} (( segid " " and resid 162 and name HA )) (( segid " " and resid 159 and name HB2 )) OR { 1037} (( segid " " and resid 62 and name HA )) (( segid " " and resid 59 and name HB2 )) ASSI { 1038} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB )) 2.100 0.600 0.600 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.13498E-01 ppm1 3.842 ppm2 4.089 CV 1 OR { 1038} (( segid " " and resid 161 and name HA )) (( segid " " and resid 161 and name HB )) ASSI { 1040} (( segid " " and resid 60 and name HB )) (( segid " " and resid 59 and name HB1 )) 6.000 6.000 0.000 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.20548E-04 ppm1 1.632 ppm2 4.087 CV 1 OR { 1040} (( segid " " and resid 160 and name HB )) (( segid " " and resid 159 and name HB1 )) OR { 1040} (( segid " " and resid 60 and name HB )) (( segid " " and resid 59 and name HB2 )) OR { 1040} (( segid " " and resid 160 and name HB )) (( segid " " and resid 159 and name HB2 )) ASSI { 1041} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 61 and name HB )) 2.000 0.500 0.500 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.11840E-01 ppm1 1.267 ppm2 4.078 CV 1 OR { 1041} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 161 and name HB )) ASSI { 1043} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 159 and name HB1 )) 4.100 2.200 1.900 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.56117E-03 ppm1 0.628 ppm2 4.082 CV 1 OR { 1043} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 59 and name HB1 )) OR { 1043} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 161 and name HB )) OR { 1043} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HB )) OR { 1043} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 59 and name HB2 )) ASSI { 1047} (( segid " " and resid 73 and name HD1 )) (( segid " " and resid 73 and name HA )) 3.600 1.600 1.600 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.27281E-02 ppm1 1.748 ppm2 4.043 CV 1 OR { 1047} (( segid " " and resid 173 and name HD1 )) (( segid " " and resid 173 and name HA )) OR { 1047} (( segid " " and resid 73 and name HD2 )) (( segid " " and resid 73 and name HA )) OR { 1047} (( segid " " and resid 173 and name HD2 )) (( segid " " and resid 173 and name HA )) ASSI { 1049} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HA )) 2.000 0.500 0.500 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.88752E-02 ppm1 1.500 ppm2 4.031 CV 1 OR { 1049} (( segid " " and resid 173 and name HG2 )) (( segid " " and resid 173 and name HA )) ASSI { 1050} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 53 and name HA )) 4.500 2.600 1.500 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.16998E-03 ppm1 2.265 ppm2 3.988 CV 1 OR { 1050} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 58 and name HB )) OR { 1050} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 158 and name HB )) OR { 1050} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 153 and name HA )) OR { 1050} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HA2 )) OR { 1050} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HA1 )) OR { 1050} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 157 and name HA2 )) ASSI { 1052} ( segid " " and resid 154 and name HB% ) (( segid " " and resid 157 and name HA2 )) 3.600 1.600 1.600 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.16216E-02 ppm1 1.542 ppm2 4.014 CV 1 OR { 1052} ( segid " " and resid 54 and name HB% ) (( segid " " and resid 57 and name HA2 )) OR { 1052} ( segid " " and resid 54 and name HB% ) (( segid " " and resid 53 and name HA )) OR { 1052} ( segid " " and resid 154 and name HB% ) (( segid " " and resid 153 and name HA )) ASSI { 1054} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 132 and name HA2 )) 2.400 2.400 3.600 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.12250E-02 ppm1 0.736 ppm2 3.987 CV 1 OR { 1054} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 32 and name HA2 )) OR { 1054} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 32 and name HA1 )) OR { 1054} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 132 and name HA1 )) ASSI { 1055} ( segid " " and resid 134 and name HG2%) (( segid " " and resid 132 and name HA2 )) 4.200 2.200 1.800 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.11245E-03 ppm1 0.717 ppm2 4.008 CV 1 OR { 1055} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 32 and name HA2 )) OR { 1055} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 139 and name HA )) ASSI { 1057} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB1 )) 1.900 0.500 0.500 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.19912E-01 ppm1 4.506 ppm2 3.957 CV 1 OR { 1057} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB1 )) OR { 1057} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB2 )) OR { 1057} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB2 )) ASSI { 1059} (( segid " " and resid 56 and name HA )) (( segid " " and resid 57 and name HA1 )) 4.800 2.900 1.200 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.16118E-03 ppm1 4.423 ppm2 3.973 CV 1 OR { 1059} (( segid " " and resid 156 and name HA )) (( segid " " and resid 157 and name HA1 )) OR { 1059} (( segid " " and resid 156 and name HA )) (( segid " " and resid 153 and name HA )) OR { 1059} (( segid " " and resid 56 and name HA )) (( segid " " and resid 53 and name HA )) ASSI { 1060} (( segid " " and resid 148 and name HD2 )) (( segid " " and resid 145 and name HA )) 4.000 2.000 2.000 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.68728E-03 ppm1 3.395 ppm2 3.961 CV 1 OR { 1060} (( segid " " and resid 48 and name HD1 )) (( segid " " and resid 45 and name HA )) ASSI { 1062} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 145 and name HA )) 5.100 3.200 0.900 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.75296E-04 ppm1 3.165 ppm2 3.942 CV 1 OR { 1062} (( segid " " and resid 45 and name HE2 )) (( segid " " and resid 45 and name HA )) ASSI { 1068} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 153 and name HA )) 3.600 1.600 1.600 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.60406E-03 ppm1 1.936 ppm2 3.968 CV 1 OR { 1068} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 158 and name HB )) OR { 1068} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 58 and name HB )) OR { 1068} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 53 and name HA )) ASSI { 1070} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 45 and name HA )) 3.500 1.600 1.600 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.10835E-02 ppm1 1.828 ppm2 3.942 CV 1 OR { 1070} (( segid " " and resid 145 and name HD2 )) (( segid " " and resid 145 and name HA )) OR { 1070} (( segid " " and resid 45 and name HD1 )) (( segid " " and resid 45 and name HA )) OR { 1070} (( segid " " and resid 145 and name HD1 )) (( segid " " and resid 145 and name HA )) ASSI { 1071} (( segid " " and resid 139 and name HB )) (( segid " " and resid 139 and name HA )) 2.700 0.900 0.900 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.29491E-02 ppm1 1.804 ppm2 3.974 CV 1 OR { 1071} (( segid " " and resid 39 and name HB )) (( segid " " and resid 39 and name HA )) ASSI { 1073} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HA )) 2.500 0.800 0.800 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.34480E-02 ppm1 1.422 ppm2 3.962 CV 1 OR { 1073} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 145 and name HA )) OR { 1073} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 45 and name HA )) OR { 1073} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 145 and name HA )) ASSI { 1074} ( segid " " and resid 158 and name HG2%) (( segid " " and resid 158 and name HB )) 1.900 0.500 0.500 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.17778E-01 ppm1 1.183 ppm2 3.975 CV 1 OR { 1074} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HB )) OR { 1074} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 53 and name HA )) ASSI { 1075} ( segid " " and resid 163 and name HG1%) (( segid " " and resid 153 and name HA )) 2.900 1.000 1.000 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.17865E-02 ppm1 0.835 ppm2 3.972 CV 1 OR { 1075} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 53 and name HA )) ASSI { 1077} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 39 and name HA )) 2.100 0.600 0.600 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.11053E-01 ppm1 0.473 ppm2 3.946 CV 1 OR { 1077} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 139 and name HA )) ASSI { 1081} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB1 )) 2.100 0.500 0.500 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.13601E-01 ppm1 4.554 ppm2 3.903 CV 1 OR { 1081} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB1 )) OR { 1081} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB2 )) OR { 1081} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HB2 )) OR { 1081} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB1 )) OR { 1081} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HB1 )) OR { 1081} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB2 )) ASSI { 1086} (( segid " " and resid 45 and name HE1 )) (( segid " " and resid 45 and name HA )) 5.000 3.100 1.000 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.82748E-04 ppm1 2.886 ppm2 3.931 CV 1 OR { 1086} (( segid " " and resid 145 and name HE2 )) (( segid " " and resid 145 and name HA )) ASSI { 1087} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 143 and name HA )) 5.100 3.300 0.900 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.16095E-03 ppm1 2.835 ppm2 3.920 CV 1 OR { 1087} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 43 and name HA )) ASSI { 1092} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 45 and name HA )) 2.500 0.800 0.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.38144E-02 ppm1 1.924 ppm2 3.936 CV 1 OR { 1092} (( segid " " and resid 168 and name HB )) (( segid " " and resid 165 and name HA )) OR { 1092} (( segid " " and resid 68 and name HB )) (( segid " " and resid 65 and name HA )) OR { 1092} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 145 and name HA )) ASSI { 1097} (( segid " " and resid 62 and name HA )) (( segid " " and resid 65 and name HA )) 5.200 3.400 0.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.22436E-03 ppm1 4.421 ppm2 3.897 CV 1 OR { 1097} (( segid " " and resid 162 and name HA )) (( segid " " and resid 165 and name HA )) ASSI { 1100} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 72 and name HA )) 6.000 6.000 0.000 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.21686E-04 ppm1 3.324 ppm2 3.877 CV 1 OR { 1100} (( segid " " and resid 171 and name HB1 )) (( segid " " and resid 172 and name HA )) OR { 1100} (( segid " " and resid 171 and name HB2 )) (( segid " " and resid 172 and name HA )) ASSI { 1101} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 46 and name HA )) 3.800 1.800 1.800 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.39049E-03 ppm1 3.250 ppm2 3.873 CV 1 OR { 1101} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 146 and name HA )) OR { 1101} (( segid " " and resid 48 and name HD2 )) (( segid " " and resid 172 and name HA )) OR { 1101} (( segid " " and resid 148 and name HD1 )) (( segid " " and resid 72 and name HA )) OR { 1101} (( segid " " and resid 48 and name HD2 )) (( segid " " and resid 176 and name HA )) ASSI { 1102} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 146 and name HA )) 4.500 2.600 1.500 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.28911E-03 ppm1 3.238 ppm2 3.862 CV 1 OR { 1102} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 46 and name HA )) ASSI { 1103} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 46 and name HA )) 3.400 1.500 1.500 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.20594E-03 ppm1 3.098 ppm2 3.861 CV 1 OR { 1103} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 146 and name HA )) ASSI { 1104} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HA )) 2.200 0.600 0.600 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.45590E-02 ppm1 2.964 ppm2 3.879 CV 1 OR { 1104} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HA )) OR { 1104} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 43 and name HA )) ASSI { 1105} (( segid " " and resid 176 and name HG2 )) (( segid " " and resid 176 and name HA )) 2.100 0.600 0.600 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.97267E-02 ppm1 2.304 ppm2 3.890 CV 1 OR { 1105} (( segid " " and resid 76 and name HG2 )) (( segid " " and resid 76 and name HA )) OR { 1105} (( segid " " and resid 176 and name HG1 )) (( segid " " and resid 176 and name HA )) OR { 1105} (( segid " " and resid 76 and name HG1 )) (( segid " " and resid 76 and name HA )) ASSI { 1107} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 76 and name HA )) 2.800 2.800 3.200 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.63055E-02 ppm1 2.280 ppm2 3.886 CV 1 OR { 1107} (( segid " " and resid 174 and name HG2 )) (( segid " " and resid 176 and name HA )) OR { 1107} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 72 and name HA )) OR { 1107} (( segid " " and resid 174 and name HG2 )) (( segid " " and resid 172 and name HA )) OR { 1107} (( segid " " and resid 74 and name HG1 )) (( segid " " and resid 72 and name HA )) OR { 1107} (( segid " " and resid 174 and name HG1 )) (( segid " " and resid 172 and name HA )) OR { 1107} (( segid " " and resid 174 and name HG1 )) (( segid " " and resid 176 and name HA )) ASSI { 1108} (( segid " " and resid 164 and name HB )) (( segid " " and resid 165 and name HA )) 2.700 0.900 0.900 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.32231E-02 ppm1 2.101 ppm2 3.874 CV 1 OR { 1108} (( segid " " and resid 64 and name HB )) (( segid " " and resid 65 and name HA )) ASSI { 1112} ( segid " " and resid 152 and name HB% ) (( segid " " and resid 72 and name HA )) 2.500 2.500 3.500 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.71238E-02 ppm1 1.820 ppm2 3.898 CV 1 OR { 1112} ( segid " " and resid 52 and name HB% ) (( segid " " and resid 172 and name HA )) OR { 1112} ( segid " " and resid 52 and name HB% ) (( segid " " and resid 176 and name HA )) ASSI { 1115} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 146 and name HA )) 3.400 1.400 1.400 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.20093E-02 ppm1 1.477 ppm2 3.890 CV 1 OR { 1115} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 46 and name HA )) OR { 1115} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 43 and name HA )) OR { 1115} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 143 and name HA )) OR { 1115} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 43 and name HA )) OR { 1115} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 143 and name HA )) ASSI { 1116} (( segid " " and resid 135 and name HG1 )) (( segid " " and resid 43 and name HA )) 3.000 1.100 1.100 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.12721E-02 ppm1 1.210 ppm2 3.891 CV 1 OR { 1116} (( segid " " and resid 35 and name HG1 )) (( segid " " and resid 143 and name HA )) OR { 1116} (( segid " " and resid 35 and name HG1 )) (( segid " " and resid 146 and name HA )) ASSI { 1117} ( segid " " and resid 164 and name HG1%) (( segid " " and resid 165 and name HA )) 3.100 3.100 2.900 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.18596E-02 ppm1 1.139 ppm2 3.872 CV 1 OR { 1117} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 65 and name HA )) ASSI { 1118} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 72 and name HA )) 2.200 2.200 3.800 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.13341E-01 ppm1 1.060 ppm2 3.878 CV 1 OR { 1118} ( segid " " and resid 172 and name HD2%) (( segid " " and resid 172 and name HA )) ASSI { 1119} ( segid " " and resid 72 and name HD1%) (( segid " " and resid 72 and name HA )) 2.800 1.000 1.000 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.36098E-02 ppm1 0.877 ppm2 3.890 CV 1 OR { 1119} ( segid " " and resid 172 and name HD1%) (( segid " " and resid 172 and name HA )) ASSI { 1120} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 146 and name HA )) 4.100 2.100 1.900 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.43855E-03 ppm1 0.660 ppm2 3.872 CV 1 OR { 1120} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 65 and name HA )) OR { 1120} ( segid " " and resid 137 and name HG2%) (( segid " " and resid 165 and name HA )) ASSI { 1121} ( segid " " and resid 160 and name HD1%) (( segid " " and resid 146 and name HA )) 3.600 1.600 1.600 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.98923E-03 ppm1 0.512 ppm2 3.868 CV 1 OR { 1121} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 46 and name HA )) ASSI { 1122} ( segid " " and resid 168 and name HG1%) (( segid " " and resid 165 and name HA )) 3.000 1.100 1.100 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.16160E-02 ppm1 0.051 ppm2 3.888 CV 1 OR { 1122} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 65 and name HA )) ASSI { 1124} (( segid " " and resid 27 and name HA )) (( segid " " and resid 28 and name HD2 )) 1.800 0.400 0.400 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.18938E-01 ppm1 4.608 ppm2 3.820 CV 1 OR { 1124} (( segid " " and resid 127 and name HA )) (( segid " " and resid 128 and name HD1 )) ASSI { 1125} (( segid " " and resid 128 and name HA )) (( segid " " and resid 128 and name HD1 )) 4.000 2.000 2.000 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.36247E-03 ppm1 4.468 ppm2 3.827 CV 1 OR { 1125} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HD2 )) ASSI { 1127} (( segid " " and resid 73 and name HA )) (( segid " " and resid 72 and name HA )) 3.600 1.600 1.600 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.48509E-03 ppm1 4.055 ppm2 3.834 CV 1 OR { 1127} (( segid " " and resid 173 and name HA )) (( segid " " and resid 172 and name HA )) ASSI { 1129} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 28 and name HD2 )) 3.800 1.800 1.800 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.11465E-02 ppm1 2.299 ppm2 3.835 CV 1 OR { 1129} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HD1 )) ASSI { 1130} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 128 and name HD1 )) 2.000 0.500 0.500 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.14201E-01 ppm1 2.034 ppm2 3.822 CV 1 OR { 1130} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 28 and name HD2 )) OR { 1130} (( segid " " and resid 28 and name HG1 )) (( segid " " and resid 28 and name HD2 )) OR { 1130} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HD1 )) ASSI { 1132} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 128 and name HD1 )) 3.700 1.700 1.700 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.74025E-03 ppm1 1.907 ppm2 3.832 CV 1 OR { 1132} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HD2 )) ASSI { 1133} ( segid " " and resid 27 and name HB% ) (( segid " " and resid 28 and name HD2 )) 3.100 1.200 1.200 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.33619E-02 ppm1 1.369 ppm2 3.824 CV 1 OR { 1133} ( segid " " and resid 127 and name HB% ) (( segid " " and resid 128 and name HD1 )) ASSI { 1134} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 161 and name HA )) 2.100 2.100 3.900 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.85529E-02 ppm1 1.267 ppm2 3.848 CV 1 OR { 1134} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 61 and name HA )) ASSI { 1135} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 161 and name HA )) 3.200 1.300 1.300 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.11378E-02 ppm1 0.630 ppm2 3.852 CV 1 OR { 1135} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HA )) ASSI { 1137} (( segid " " and resid 37 and name HA )) (( segid " " and resid 161 and name HA )) 5.600 4.000 0.400 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.98072E-04 ppm1 4.132 ppm2 3.798 CV 1 OR { 1137} (( segid " " and resid 137 and name HA )) (( segid " " and resid 61 and name HA )) ASSI { 1139} (( segid " " and resid 127 and name HA )) (( segid " " and resid 128 and name HD2 )) 1.900 0.400 0.400 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.16947E-01 ppm1 4.608 ppm2 3.654 CV 1 OR { 1139} (( segid " " and resid 27 and name HA )) (( segid " " and resid 28 and name HD1 )) ASSI { 1140} (( segid " " and resid 47 and name HB )) (( segid " " and resid 47 and name HA )) 2.700 0.900 0.900 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.28656E-02 ppm1 4.430 ppm2 3.656 CV 1 OR { 1140} (( segid " " and resid 147 and name HB )) (( segid " " and resid 147 and name HA )) ASSI { 1141} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HA )) 5.500 3.800 0.500 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.11404E-03 ppm1 4.189 ppm2 3.662 CV 1 OR { 1141} (( segid " " and resid 144 and name HA )) (( segid " " and resid 147 and name HA )) ASSI { 1142} (( segid " " and resid 128 and name HD1 )) (( segid " " and resid 128 and name HD2 )) 1.300 0.200 0.900 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.71863E-01 ppm1 3.818 ppm2 3.657 CV 1 OR { 1142} (( segid " " and resid 28 and name HD2 )) (( segid " " and resid 28 and name HD1 )) ASSI { 1143} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 28 and name HD1 )) 4.100 2.100 1.900 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.41268E-03 ppm1 2.297 ppm2 3.655 CV 1 OR { 1143} (( segid " " and resid 128 and name HB2 )) (( segid " " and resid 128 and name HD2 )) ASSI { 1144} (( segid " " and resid 28 and name HG1 )) (( segid " " and resid 28 and name HD1 )) 2.100 0.600 0.600 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.93715E-02 ppm1 2.033 ppm2 3.660 CV 1 OR { 1144} (( segid " " and resid 128 and name HG2 )) (( segid " " and resid 128 and name HD2 )) OR { 1144} (( segid " " and resid 128 and name HG1 )) (( segid " " and resid 128 and name HD2 )) OR { 1144} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 28 and name HD1 )) ASSI { 1147} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 47 and name HA )) 4.300 2.400 1.700 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.64764E-03 ppm1 1.404 ppm2 3.668 CV 1 OR { 1147} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 147 and name HA )) ASSI { 1148} ( segid " " and resid 127 and name HB% ) (( segid " " and resid 128 and name HD2 )) 2.900 1.100 1.100 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.49895E-02 ppm1 1.371 ppm2 3.656 CV 1 OR { 1148} ( segid " " and resid 27 and name HB% ) (( segid " " and resid 28 and name HD1 )) ASSI { 1150} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 128 and name HD2 )) 3.700 1.800 1.800 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.13436E-02 ppm1 1.912 ppm2 3.645 CV 1 OR { 1150} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HD1 )) ASSI { 1151} (( segid " " and resid 50 and name HG1 )) (( segid " " and resid 47 and name HA )) 4.900 3.000 1.100 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.93078E-04 ppm1 1.256 ppm2 3.638 CV 1 OR { 1151} (( segid " " and resid 150 and name HG1 )) (( segid " " and resid 147 and name HA )) OR { 1151} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 47 and name HA )) OR { 1151} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 147 and name HA )) ASSI { 1155} (( segid " " and resid 66 and name HG1 )) (( segid " " and resid 63 and name HA )) 4.900 3.000 1.100 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.16097E-03 ppm1 2.571 ppm2 3.515 CV 1 OR { 1155} (( segid " " and resid 166 and name HG2 )) (( segid " " and resid 163 and name HA )) ASSI { 1156} (( segid " " and resid 166 and name HG1 )) (( segid " " and resid 163 and name HA )) 5.500 3.800 0.500 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.80734E-04 ppm1 2.437 ppm2 3.516 CV 1 OR { 1156} (( segid " " and resid 66 and name HG2 )) (( segid " " and resid 63 and name HA )) ASSI { 1158} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 63 and name HA )) 2.600 0.900 0.900 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.21997E-02 ppm1 2.246 ppm2 3.514 CV 1 OR { 1158} (( segid " " and resid 166 and name HB2 )) (( segid " " and resid 163 and name HA )) OR { 1158} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 63 and name HA )) ASSI { 1160} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 63 and name HA )) 4.600 2.600 1.400 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.11483E-03 ppm1 1.187 ppm2 3.486 CV 1 OR { 1160} ( segid " " and resid 158 and name HG2%) (( segid " " and resid 163 and name HA )) ASSI { 1162} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 63 and name HA )) 2.200 2.200 3.800 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.81515E-02 ppm1 -0.195 ppm2 3.514 CV 1 OR { 1162} ( segid " " and resid 163 and name HG2%) (( segid " " and resid 163 and name HA )) ASSI { 1164} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 50 and name HA )) 2.400 0.700 0.700 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.34315E-02 ppm1 1.399 ppm2 3.438 CV 1 OR { 1164} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 150 and name HA )) ASSI { 1166} ( segid " " and resid 160 and name HD1%) (( segid " " and resid 150 and name HA )) 2.000 2.000 4.000 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.40825E-02 ppm1 0.514 ppm2 3.440 CV 1 OR { 1166} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 50 and name HA )) ASSI { 1167} (( segid " " and resid 144 and name HA )) (( segid " " and resid 148 and name HD2 )) 3.200 3.200 2.800 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.22901E-02 ppm1 4.177 ppm2 3.394 CV 1 OR { 1167} (( segid " " and resid 44 and name HA )) (( segid " " and resid 48 and name HD1 )) ASSI { 1168} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 50 and name HA )) 5.200 3.400 0.800 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.41488E-04 ppm1 2.238 ppm2 3.428 CV 1 OR { 1168} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 150 and name HA )) ASSI { 1169} (( segid " " and resid 167 and name HB2 )) (( segid " " and resid 164 and name HA )) 4.600 2.600 1.400 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.56989E-03 ppm1 1.918 ppm2 3.396 CV 1 OR { 1169} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 64 and name HA )) OR { 1169} (( segid " " and resid 167 and name HB1 )) (( segid " " and resid 164 and name HA )) OR { 1169} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 64 and name HA )) OR { 1169} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 164 and name HA )) ASSI { 1171} ( segid " " and resid 151 and name HB% ) (( segid " " and resid 155 and name HD1 )) 4.800 2.900 1.200 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.21515E-03 ppm1 1.558 ppm2 3.430 CV 1 OR { 1171} ( segid " " and resid 151 and name HB% ) (( segid " " and resid 150 and name HA )) OR { 1171} ( segid " " and resid 51 and name HB% ) (( segid " " and resid 50 and name HA )) ASSI { 1173} (( segid " " and resid 60 and name HG12)) (( segid " " and resid 64 and name HA )) 6.000 5.300 0.000 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.19965E-04 ppm1 1.272 ppm2 3.419 CV 1 OR { 1173} (( segid " " and resid 160 and name HG12)) (( segid " " and resid 164 and name HA )) ASSI { 1178} (( segid " " and resid 167 and name HA )) (( segid " " and resid 164 and name HA )) 6.000 6.000 0.000 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.72060E-04 ppm1 4.162 ppm2 3.386 CV 1 OR { 1178} (( segid " " and resid 67 and name HA )) (( segid " " and resid 64 and name HA )) ASSI { 1179} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HD1 )) 3.000 1.100 1.100 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.29181E-02 ppm1 4.152 ppm2 3.368 CV 1 OR { 1179} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HD1 )) OR { 1179} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HD1 )) OR { 1179} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HD2 )) ASSI { 1181} (( segid " " and resid 145 and name HA )) (( segid " " and resid 148 and name HD2 )) 4.100 2.100 1.900 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.68043E-03 ppm1 3.964 ppm2 3.375 CV 1 OR { 1181} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HD1 )) OR { 1181} (( segid " " and resid 145 and name HA )) (( segid " " and resid 146 and name HB1 )) ASSI { 1182} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HB1 )) 2.300 0.700 0.700 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.45957E-02 ppm1 3.886 ppm2 3.361 CV 1 OR { 1182} (( segid " " and resid 143 and name HA )) (( segid " " and resid 146 and name HB1 )) ASSI { 1184} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HB1 )) 1.800 0.400 0.400 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.65216E-02 ppm1 2.959 ppm2 3.356 CV 1 OR { 1184} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HB1 )) ASSI { 1185} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 155 and name HD1 )) 2.300 0.600 0.600 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.55512E-02 ppm1 2.111 ppm2 3.379 CV 1 OR { 1185} (( segid " " and resid 164 and name HB )) (( segid " " and resid 164 and name HA )) OR { 1185} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HD1 )) ASSI { 1186} (( segid " " and resid 167 and name HG )) (( segid " " and resid 164 and name HA )) 2.600 0.900 0.900 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.86536E-03 ppm1 2.023 ppm2 3.371 CV 1 OR { 1186} (( segid " " and resid 67 and name HG )) (( segid " " and resid 64 and name HA )) ASSI { 1187} (( segid " " and resid 72 and name HG )) (( segid " " and resid 148 and name HD2 )) 2.600 2.600 3.400 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.44204E-02 ppm1 1.979 ppm2 3.385 CV 1 OR { 1187} (( segid " " and resid 172 and name HG )) (( segid " " and resid 48 and name HD1 )) ASSI { 1189} ( segid " " and resid 52 and name HB% ) (( segid " " and resid 48 and name HD1 )) 5.600 4.000 0.400 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.42921E-04 ppm1 1.823 ppm2 3.358 CV 1 OR { 1189} ( segid " " and resid 52 and name HB% ) (( segid " " and resid 55 and name HD1 )) OR { 1189} ( segid " " and resid 152 and name HB% ) (( segid " " and resid 155 and name HD1 )) ASSI { 1193} ( segid " " and resid 164 and name HG1%) (( segid " " and resid 164 and name HA )) 2.000 2.000 4.000 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.87898E-02 ppm1 1.142 ppm2 3.392 CV 1 OR { 1193} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HA )) ASSI { 1195} ( segid " " and resid 139 and name HG1%) (( segid " " and resid 64 and name HA )) 5.200 3.400 0.800 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.27543E-03 ppm1 0.774 ppm2 3.378 CV 1 OR { 1195} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 164 and name HA )) ASSI { 1196} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 64 and name HA )) 6.000 4.800 0.000 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.11212E-03 ppm1 0.472 ppm2 3.376 CV 1 OR { 1196} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 164 and name HA )) ASSI { 1197} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB2 )) 2.000 0.500 0.500 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.99505E-02 ppm1 4.196 ppm2 3.338 CV 1 OR { 1197} (( segid " " and resid 171 and name HA )) (( segid " " and resid 171 and name HB2 )) OR { 1197} (( segid " " and resid 171 and name HA )) (( segid " " and resid 171 and name HB1 )) ASSI { 1198} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 71 and name HB2 )) 6.000 5.200 0.000 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.20323E-04 ppm1 3.085 ppm2 3.333 CV 1 OR { 1198} (( segid " " and resid 170 and name HB2 )) (( segid " " and resid 171 and name HB2 )) OR { 1198} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 171 and name HB2 )) OR { 1198} (( segid " " and resid 170 and name HB2 )) (( segid " " and resid 171 and name HB1 )) OR { 1198} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 71 and name HB1 )) ASSI { 1200} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 71 and name HB1 )) 5.800 4.100 0.200 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.78182E-04 ppm1 1.579 ppm2 3.349 CV 1 OR { 1200} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 171 and name HB1 )) OR { 1200} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 71 and name HB2 )) OR { 1200} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 171 and name HB2 )) ASSI { 1201} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 171 and name HB1 )) 2.000 2.000 4.000 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.10234E-01 ppm1 1.080 ppm2 3.346 CV 1 OR { 1201} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 171 and name HB2 )) OR { 1201} ( segid " " and resid 167 and name HD1%) (( segid " " and resid 71 and name HB1 )) ASSI { 1202} ( segid " " and resid 167 and name HD2%) (( segid " " and resid 71 and name HB1 )) 1.900 1.900 4.100 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.11133E-01 ppm1 0.567 ppm2 3.346 CV 1 OR { 1202} ( segid " " and resid 167 and name HD2%) (( segid " " and resid 71 and name HB2 )) OR { 1202} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 171 and name HB1 )) ASSI { 1203} (( segid " " and resid 152 and name HA )) (( segid " " and resid 155 and name HD2 )) 5.400 3.600 0.600 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.81512E-04 ppm1 4.309 ppm2 3.309 CV 1 OR { 1203} (( segid " " and resid 52 and name HA )) (( segid " " and resid 55 and name HD2 )) ASSI { 1204} (( segid " " and resid 72 and name HA )) (( segid " " and resid 71 and name HB1 )) 6.000 6.000 0.000 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.19418E-04 ppm1 3.884 ppm2 3.289 CV 1 OR { 1204} (( segid " " and resid 172 and name HA )) (( segid " " and resid 171 and name HB1 )) OR { 1204} (( segid " " and resid 172 and name HA )) (( segid " " and resid 48 and name HD2 )) OR { 1204} (( segid " " and resid 72 and name HA )) (( segid " " and resid 71 and name HB2 )) OR { 1204} (( segid " " and resid 172 and name HA )) (( segid " " and resid 171 and name HB2 )) ASSI { 1205} (( segid " " and resid 46 and name HA )) (( segid " " and resid 41 and name HB2 )) 2.300 2.300 3.700 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.57720E-02 ppm1 3.864 ppm2 3.297 CV 1 OR { 1205} (( segid " " and resid 146 and name HA )) (( segid " " and resid 141 and name HB1 )) ASSI { 1206} (( segid " " and resid 163 and name HA )) (( segid " " and resid 71 and name HB1 )) 6.000 6.000 0.000 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.20366E-04 ppm1 3.526 ppm2 3.298 CV 1 OR { 1206} (( segid " " and resid 63 and name HA )) (( segid " " and resid 171 and name HB1 )) OR { 1206} (( segid " " and resid 163 and name HA )) (( segid " " and resid 71 and name HB2 )) OR { 1206} (( segid " " and resid 63 and name HA )) (( segid " " and resid 171 and name HB2 )) OR { 1206} (( segid " " and resid 163 and name HA )) (( segid " " and resid 68 and name HA )) OR { 1206} (( segid " " and resid 63 and name HA )) (( segid " " and resid 168 and name HA )) ASSI { 1208} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 155 and name HD2 )) 2.600 0.800 0.800 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.38975E-02 ppm1 2.125 ppm2 3.299 CV 1 OR { 1208} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HD2 )) ASSI { 1210} (( segid " " and resid 68 and name HB )) (( segid " " and resid 68 and name HA )) 2.300 0.600 0.600 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.66502E-02 ppm1 1.954 ppm2 3.295 CV 1 OR { 1210} (( segid " " and resid 168 and name HB )) (( segid " " and resid 168 and name HA )) OR { 1210} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HD2 )) OR { 1210} (( segid " " and resid 155 and name HB2 )) (( segid " " and resid 155 and name HD2 )) ASSI { 1211} (( segid " " and resid 68 and name HB )) (( segid " " and resid 68 and name HA )) 2.300 0.700 0.700 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.59664E-02 ppm1 1.932 ppm2 3.289 CV 1 OR { 1211} (( segid " " and resid 168 and name HB )) (( segid " " and resid 168 and name HA )) OR { 1211} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 148 and name HD1 )) OR { 1211} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HD2 )) OR { 1211} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HD2 )) ASSI { 1212} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HD1 )) 2.100 0.600 0.600 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.66432E-02 ppm1 1.917 ppm2 3.298 CV 1 OR { 1212} (( segid " " and resid 155 and name HG1 )) (( segid " " and resid 155 and name HD2 )) OR { 1212} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HD2 )) OR { 1212} (( segid " " and resid 155 and name HG2 )) (( segid " " and resid 155 and name HD2 )) OR { 1212} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 55 and name HD2 )) ASSI { 1213} ( segid " " and resid 172 and name HD2%) (( segid " " and resid 48 and name HD2 )) 2.300 2.300 3.700 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.40493E-02 ppm1 1.058 ppm2 3.270 CV 1 OR { 1213} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 148 and name HD1 )) ASSI { 1214} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HA )) 2.100 2.100 3.900 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.10435E-01 ppm1 0.614 ppm2 3.296 CV 1 OR { 1214} ( segid " " and resid 168 and name HG2%) (( segid " " and resid 168 and name HA )) OR { 1214} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 71 and name HB1 )) ASSI { 1215} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HA )) 2.200 2.200 3.800 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.87431E-02 ppm1 0.053 ppm2 3.287 CV 1 OR { 1215} ( segid " " and resid 168 and name HG1%) (( segid " " and resid 168 and name HA )) OR { 1215} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 71 and name HB1 )) ASSI { 1218} ( segid " " and resid 172 and name HD1%) (( segid " " and resid 48 and name HD2 )) 3.000 1.100 1.100 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.41688E-02 ppm1 0.878 ppm2 3.235 CV 1 OR { 1218} ( segid " " and resid 72 and name HD1%) (( segid " " and resid 148 and name HD1 )) OR { 1218} ( segid " " and resid 72 and name HD1%) (( segid " " and resid 149 and name HB1 )) ASSI { 1220} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB1 )) 2.600 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.33288E-02 ppm1 4.653 ppm2 3.191 CV 1 OR { 1220} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB1 )) ASSI { 1223} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HD1 )) 2.900 1.000 1.000 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.16384E-02 ppm1 1.838 ppm2 3.202 CV 1 OR { 1223} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HD1 )) OR { 1223} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HD2 )) ASSI { 1224} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HD1 )) 2.600 0.900 0.900 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.30736E-02 ppm1 1.762 ppm2 3.196 CV 1 OR { 1224} (( segid " " and resid 123 and name HB2 )) (( segid " " and resid 123 and name HD2 )) OR { 1224} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HD2 )) OR { 1224} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 119 and name HD1 )) OR { 1224} (( segid " " and resid 123 and name HB1 )) (( segid " " and resid 123 and name HD2 )) OR { 1224} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 23 and name HD2 )) OR { 1224} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HD2 )) OR { 1224} (( segid " " and resid 123 and name HB1 )) (( segid " " and resid 123 and name HD1 )) OR { 1224} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 23 and name HD1 )) OR { 1224} (( segid " " and resid 119 and name HB1 )) (( segid " " and resid 119 and name HD2 )) ASSI { 1226} (( segid " " and resid 19 and name HG1 )) (( segid " " and resid 19 and name HD2 )) 1.900 0.500 0.500 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.15702E-01 ppm1 1.625 ppm2 3.191 CV 1 OR { 1226} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 119 and name HD2 )) OR { 1226} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HD1 )) OR { 1226} (( segid " " and resid 123 and name HG2 )) (( segid " " and resid 123 and name HD1 )) OR { 1226} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 23 and name HD2 )) OR { 1226} (( segid " " and resid 123 and name HG1 )) (( segid " " and resid 123 and name HD2 )) OR { 1226} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HD2 )) OR { 1226} (( segid " " and resid 123 and name HG2 )) (( segid " " and resid 123 and name HD2 )) OR { 1226} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 23 and name HD1 )) OR { 1226} (( segid " " and resid 123 and name HG1 )) (( segid " " and resid 123 and name HD1 )) OR { 1226} (( segid " " and resid 19 and name HG1 )) (( segid " " and resid 19 and name HD1 )) OR { 1226} (( segid " " and resid 119 and name HG1 )) (( segid " " and resid 119 and name HD1 )) OR { 1226} (( segid " " and resid 19 and name HG2 )) (( segid " " and resid 19 and name HD2 )) ASSI { 1232} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HD2 )) 3.900 1.900 1.900 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.68736E-03 ppm1 4.299 ppm2 3.169 CV 1 OR { 1232} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HD2 )) OR { 1232} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HD1 )) OR { 1232} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HD1 )) ASSI { 1233} (( segid " " and resid 166 and name HA )) (( segid " " and resid 45 and name HE2 )) 3.100 3.100 2.900 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.26987E-02 ppm1 4.168 ppm2 3.153 CV 1 OR { 1233} (( segid " " and resid 66 and name HA )) (( segid " " and resid 145 and name HE1 )) OR { 1233} (( segid " " and resid 144 and name HA )) (( segid " " and resid 145 and name HE1 )) OR { 1233} (( segid " " and resid 44 and name HA )) (( segid " " and resid 45 and name HE2 )) ASSI { 1239} (( segid " " and resid 72 and name HG )) (( segid " " and resid 145 and name HE1 )) 3.000 3.000 3.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.34691E-02 ppm1 1.979 ppm2 3.155 CV 1 OR { 1239} (( segid " " and resid 172 and name HG )) (( segid " " and resid 45 and name HE2 )) ASSI { 1240} (( segid " " and resid 168 and name HB )) (( segid " " and resid 45 and name HE2 )) 2.700 0.900 0.900 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.31426E-02 ppm1 1.932 ppm2 3.146 CV 1 OR { 1240} (( segid " " and resid 68 and name HB )) (( segid " " and resid 145 and name HE1 )) ASSI { 1243} (( segid " " and resid 45 and name HD1 )) (( segid " " and resid 45 and name HE2 )) 2.300 0.600 0.600 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.53357E-02 ppm1 1.822 ppm2 3.172 CV 1 OR { 1243} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 45 and name HE2 )) OR { 1243} (( segid " " and resid 145 and name HD1 )) (( segid " " and resid 145 and name HE1 )) OR { 1243} (( segid " " and resid 145 and name HD2 )) (( segid " " and resid 145 and name HE1 )) ASSI { 1247} (( segid " " and resid 163 and name HB )) (( segid " " and resid 160 and name HA )) 4.800 2.900 1.200 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.24914E-03 ppm1 1.657 ppm2 3.156 CV 1 OR { 1247} (( segid " " and resid 63 and name HB )) (( segid " " and resid 60 and name HA )) ASSI { 1248} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HA )) 2.800 1.000 1.000 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.12397E-02 ppm1 1.627 ppm2 3.156 CV 1 OR { 1248} (( segid " " and resid 160 and name HB )) (( segid " " and resid 160 and name HA )) ASSI { 1251} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 60 and name HA )) 2.700 2.700 3.300 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.11269E-02 ppm1 1.141 ppm2 3.154 CV 1 OR { 1251} ( segid " " and resid 164 and name HG1%) (( segid " " and resid 45 and name HE2 )) OR { 1251} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 45 and name HE2 )) ASSI { 1254} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HA )) 3.100 1.200 1.200 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.27649E-02 ppm1 0.630 ppm2 3.147 CV 1 OR { 1254} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 160 and name HA )) ASSI { 1255} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HA )) 2.900 1.100 1.100 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.43917E-02 ppm1 0.514 ppm2 3.147 CV 1 OR { 1255} ( segid " " and resid 160 and name HD1%) (( segid " " and resid 160 and name HA )) ASSI { 1265} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 60 and name HA )) 6.000 6.000 0.000 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.20260E-04 ppm1 1.176 ppm2 3.112 CV 1 OR { 1265} ( segid " " and resid 158 and name HG2%) (( segid " " and resid 160 and name HA )) ASSI { 1268} (( segid " " and resid 160 and name HG11)) (( segid " " and resid 160 and name HA )) 2.300 0.600 0.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.25505E-02 ppm1 -0.255 ppm2 3.139 CV 1 OR { 1268} (( segid " " and resid 60 and name HG11)) (( segid " " and resid 60 and name HA )) ASSI { 1270} (( segid " " and resid 171 and name HA )) (( segid " " and resid 170 and name HB1 )) 3.700 1.700 1.700 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.56369E-03 ppm1 4.194 ppm2 3.095 CV 1 OR { 1270} (( segid " " and resid 71 and name HA )) (( segid " " and resid 70 and name HB1 )) OR { 1270} (( segid " " and resid 171 and name HA )) (( segid " " and resid 170 and name HB2 )) OR { 1270} (( segid " " and resid 71 and name HA )) (( segid " " and resid 70 and name HB2 )) ASSI { 1271} (( segid " " and resid 67 and name HA )) (( segid " " and resid 70 and name HB2 )) 2.800 0.900 0.900 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.20591E-02 ppm1 4.183 ppm2 3.070 CV 1 OR { 1271} (( segid " " and resid 167 and name HA )) (( segid " " and resid 170 and name HB2 )) OR { 1271} (( segid " " and resid 67 and name HA )) (( segid " " and resid 70 and name HB1 )) OR { 1271} (( segid " " and resid 167 and name HA )) (( segid " " and resid 170 and name HB1 )) ASSI { 1274} (( segid " " and resid 149 and name HB1 )) (( segid " " and resid 149 and name HB2 )) 1.800 0.400 0.400 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.66467E-02 ppm1 3.242 ppm2 3.081 CV 1 OR { 1274} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 49 and name HB2 )) ASSI { 1276} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 70 and name HB1 )) 2.800 2.800 3.200 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.43573E-03 ppm1 1.693 ppm2 3.076 CV 1 OR { 1276} (( segid " " and resid 175 and name HB2 )) (( segid " " and resid 170 and name HB1 )) OR { 1276} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 70 and name HB2 )) OR { 1276} (( segid " " and resid 175 and name HB2 )) (( segid " " and resid 170 and name HB2 )) OR { 1276} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 170 and name HB2 )) OR { 1276} (( segid " " and resid 175 and name HB2 )) (( segid " " and resid 70 and name HB2 )) OR { 1276} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 170 and name HB1 )) ASSI { 1278} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 149 and name HB2 )) 5.600 3.900 0.400 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.77278E-04 ppm1 0.613 ppm2 3.098 CV 1 OR { 1278} ( segid " " and resid 168 and name HG2%) (( segid " " and resid 49 and name HB2 )) OR { 1278} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 70 and name HB2 )) OR { 1278} ( segid " " and resid 168 and name HG2%) (( segid " " and resid 170 and name HB2 )) OR { 1278} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 70 and name HB1 )) OR { 1278} ( segid " " and resid 168 and name HG2%) (( segid " " and resid 170 and name HB1 )) ASSI { 1281} (( segid " " and resid 67 and name HA )) (( segid " " and resid 70 and name HB1 )) 3.200 1.300 1.300 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.34509E-02 ppm1 4.170 ppm2 3.034 CV 1 OR { 1281} (( segid " " and resid 167 and name HA )) (( segid " " and resid 170 and name HB1 )) ASSI { 1289} (( segid " " and resid 5 and name HG1 )) (( segid " " and resid 5 and name HE1 )) 2.700 2.700 3.300 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.24434E-02 ppm1 1.409 ppm2 3.018 CV 1 OR { 1289} (( segid " " and resid 105 and name HG1 )) (( segid " " and resid 105 and name HE1 )) OR { 1289} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HE2 )) OR { 1289} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HE2 )) OR { 1289} (( segid " " and resid 112 and name HG2 )) (( segid " " and resid 112 and name HE1 )) OR { 1289} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HE1 )) OR { 1289} (( segid " " and resid 5 and name HG1 )) (( segid " " and resid 5 and name HE2 )) OR { 1289} (( segid " " and resid 105 and name HG1 )) (( segid " " and resid 105 and name HE2 )) OR { 1289} (( segid " " and resid 111 and name HG2 )) (( segid " " and resid 111 and name HE1 )) OR { 1289} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HE1 )) OR { 1289} (( segid " " and resid 5 and name HG2 )) (( segid " " and resid 5 and name HE2 )) OR { 1289} (( segid " " and resid 5 and name HG2 )) (( segid " " and resid 5 and name HE1 )) OR { 1289} (( segid " " and resid 105 and name HG2 )) (( segid " " and resid 105 and name HE1 )) ASSI { 1294} (( segid " " and resid 62 and name HA )) (( segid " " and resid 65 and name HB1 )) 2.900 1.100 1.100 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.47772E-02 ppm1 4.427 ppm2 2.993 CV 1 OR { 1294} (( segid " " and resid 162 and name HA )) (( segid " " and resid 165 and name HB1 )) ASSI { 1295} (( segid " " and resid 169 and name HA )) (( segid " " and resid 169 and name HB2 )) 2.200 0.600 0.600 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.78496E-02 ppm1 4.383 ppm2 2.983 CV 1 OR { 1295} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB2 )) ASSI { 1296} (( segid " " and resid 66 and name HA )) (( segid " " and resid 69 and name HB2 )) 2.300 0.700 0.700 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.48535E-02 ppm1 4.157 ppm2 2.992 CV 1 OR { 1296} (( segid " " and resid 166 and name HA )) (( segid " " and resid 169 and name HB2 )) ASSI { 1297} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HB1 )) 2.500 0.800 0.800 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.41304E-02 ppm1 3.913 ppm2 2.996 CV 1 OR { 1297} (( segid " " and resid 165 and name HA )) (( segid " " and resid 165 and name HB1 )) ASSI { 1299} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 69 and name HB2 )) 1.500 0.300 0.700 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.29744E-01 ppm1 2.667 ppm2 2.984 CV 1 OR { 1299} (( segid " " and resid 165 and name HB2 )) (( segid " " and resid 165 and name HB1 )) OR { 1299} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HB1 )) OR { 1299} (( segid " " and resid 169 and name HB1 )) (( segid " " and resid 169 and name HB2 )) ASSI { 1300} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 46 and name HB2 )) 2.700 2.700 3.300 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.38975E-02 ppm1 2.000 ppm2 3.006 CV 1 OR { 1300} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 146 and name HB2 )) OR { 1300} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 146 and name HB2 )) OR { 1300} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 46 and name HB2 )) ASSI { 1303} (( segid " " and resid 33 and name HD2 )) (( segid " " and resid 33 and name HE1 )) 1.900 0.400 0.400 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.20160E-01 ppm1 1.690 ppm2 3.005 CV 1 OR { 1303} (( segid " " and resid 133 and name HD2 )) (( segid " " and resid 133 and name HE1 )) OR { 1303} (( segid " " and resid 111 and name HD1 )) (( segid " " and resid 111 and name HE2 )) OR { 1303} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 11 and name HE2 )) OR { 1303} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 111 and name HE1 )) OR { 1303} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HE1 )) OR { 1303} (( segid " " and resid 112 and name HD2 )) (( segid " " and resid 112 and name HE1 )) OR { 1303} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HE1 )) OR { 1303} (( segid " " and resid 112 and name HD1 )) (( segid " " and resid 112 and name HE2 )) OR { 1303} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HE2 )) OR { 1303} (( segid " " and resid 112 and name HD2 )) (( segid " " and resid 112 and name HE2 )) OR { 1303} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HE2 )) OR { 1303} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HE1 )) OR { 1303} (( segid " " and resid 112 and name HD1 )) (( segid " " and resid 112 and name HE1 )) OR { 1303} (( segid " " and resid 33 and name HD1 )) (( segid " " and resid 33 and name HE1 )) OR { 1303} (( segid " " and resid 133 and name HD1 )) (( segid " " and resid 133 and name HE1 )) OR { 1303} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 111 and name HE2 )) OR { 1303} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HE2 )) OR { 1303} (( segid " " and resid 111 and name HD1 )) (( segid " " and resid 111 and name HE1 )) OR { 1303} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 11 and name HE1 )) ASSI { 1308} ( segid " " and resid 168 and name HG1%) (( segid " " and resid 169 and name HB2 )) 4.300 2.300 1.700 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.27372E-03 ppm1 0.058 ppm2 2.950 CV 1 OR { 1308} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 69 and name HB2 )) ASSI { 1309} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HE1 )) 4.000 2.000 2.000 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.55664E-03 ppm1 3.654 ppm2 2.913 CV 1 OR { 1309} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HE1 )) ASSI { 1315} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 150 and name HE1 )) 5.800 4.100 0.200 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.20043E-04 ppm1 1.402 ppm2 2.918 CV 1 OR { 1315} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 50 and name HE1 )) ASSI { 1316} ( segid " " and resid 172 and name HD1%) (( segid " " and resid 45 and name HE1 )) 3.700 1.700 1.700 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.31500E-03 ppm1 0.873 ppm2 2.905 CV 1 OR { 1316} ( segid " " and resid 72 and name HD1%) (( segid " " and resid 145 and name HE2 )) ASSI { 1318} (( segid " " and resid 45 and name HE2 )) (( segid " " and resid 45 and name HE1 )) 1.400 0.200 0.800 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.28912E-01 ppm1 3.169 ppm2 2.880 CV 1 OR { 1318} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 145 and name HE2 )) ASSI { 1323} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HE2 )) 3.900 1.900 1.900 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.34060E-03 ppm1 1.666 ppm2 2.877 CV 1 OR { 1323} (( segid " " and resid 150 and name HB2 )) (( segid " " and resid 150 and name HE2 )) ASSI { 1324} (( segid " " and resid 172 and name HB2 )) (( segid " " and resid 45 and name HE1 )) 3.000 1.100 1.100 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.12202E-02 ppm1 1.573 ppm2 2.886 CV 1 OR { 1324} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 145 and name HE2 )) ASSI { 1327} (( segid " " and resid 50 and name HG1 )) (( segid " " and resid 50 and name HE2 )) 2.400 0.700 0.700 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.66978E-02 ppm1 1.260 ppm2 2.880 CV 1 OR { 1327} (( segid " " and resid 150 and name HG1 )) (( segid " " and resid 150 and name HE2 )) OR { 1327} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 50 and name HE2 )) OR { 1327} (( segid " " and resid 150 and name HG2 )) (( segid " " and resid 150 and name HE2 )) ASSI { 1328} ( segid " " and resid 160 and name HD1%) (( segid " " and resid 141 and name HB2 )) 3.400 3.400 2.600 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.49052E-03 ppm1 0.521 ppm2 2.853 CV 1 OR { 1328} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 41 and name HB1 )) ASSI { 1330} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 145 and name HE2 )) 3.900 1.900 1.900 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.22041E-03 ppm1 0.047 ppm2 2.883 CV 1 OR { 1330} ( segid " " and resid 168 and name HG1%) (( segid " " and resid 45 and name HE1 )) ASSI { 1331} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HB2 )) 3.100 1.200 1.200 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.18847E-02 ppm1 3.442 ppm2 2.806 CV 1 OR { 1331} (( segid " " and resid 150 and name HA )) (( segid " " and resid 153 and name HB2 )) ASSI { 1334} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 41 and name HB1 )) 4.600 2.700 1.400 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.37478E-03 ppm1 1.424 ppm2 2.846 CV 1 OR { 1334} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 142 and name HB1 )) OR { 1334} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 42 and name HB1 )) OR { 1334} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 41 and name HB1 )) OR { 1334} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 42 and name HB1 )) OR { 1334} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 141 and name HB2 )) ASSI { 1338} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HE1 )) 4.900 3.000 1.100 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.20551E-03 ppm1 4.508 ppm2 2.790 CV 1 OR { 1338} (( segid " " and resid 134 and name HA )) (( segid " " and resid 135 and name HE1 )) OR { 1338} (( segid " " and resid 34 and name HA )) (( segid " " and resid 141 and name HB2 )) OR { 1338} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HE2 )) OR { 1338} (( segid " " and resid 134 and name HA )) (( segid " " and resid 135 and name HE2 )) ASSI { 1339} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB2 )) 2.500 0.800 0.800 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.28194E-02 ppm1 3.980 ppm2 2.795 CV 1 OR { 1339} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HB2 )) ASSI { 1340} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 35 and name HE1 )) 3.000 3.000 3.000 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.29729E-03 ppm1 3.191 ppm2 2.789 CV 1 OR { 1340} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 135 and name HE1 )) OR { 1340} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 35 and name HE2 )) OR { 1340} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 135 and name HE2 )) ASSI { 1341} (( segid " " and resid 153 and name HB1 )) (( segid " " and resid 153 and name HB2 )) 1.900 0.400 0.400 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.72204E-02 ppm1 2.247 ppm2 2.792 CV 1 OR { 1341} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HB2 )) ASSI { 1342} ( segid " " and resid 154 and name HB% ) (( segid " " and resid 153 and name HB2 )) 4.900 3.000 1.100 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.32298E-03 ppm1 1.540 ppm2 2.797 CV 1 OR { 1342} ( segid " " and resid 54 and name HB% ) (( segid " " and resid 53 and name HB2 )) ASSI { 1344} (( segid " " and resid 35 and name HD1 )) (( segid " " and resid 35 and name HE2 )) 2.200 0.600 0.600 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.73640E-02 ppm1 1.534 ppm2 2.795 CV 1 OR { 1344} (( segid " " and resid 135 and name HD2 )) (( segid " " and resid 135 and name HE1 )) OR { 1344} (( segid " " and resid 135 and name HD2 )) (( segid " " and resid 135 and name HE2 )) OR { 1344} (( segid " " and resid 35 and name HD1 )) (( segid " " and resid 35 and name HE1 )) ASSI { 1345} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HE1 )) 2.500 0.800 0.800 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.44475E-02 ppm1 1.476 ppm2 2.800 CV 1 OR { 1345} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 135 and name HE1 )) OR { 1345} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HE2 )) OR { 1345} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 135 and name HE2 )) OR { 1345} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HE1 )) OR { 1345} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HE1 )) OR { 1345} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HE2 )) OR { 1345} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HE2 )) ASSI { 1347} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 135 and name HE2 )) 2.200 0.600 0.600 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.67976E-02 ppm1 1.429 ppm2 2.791 CV 1 OR { 1347} (( segid " " and resid 35 and name HD2 )) (( segid " " and resid 35 and name HE1 )) OR { 1347} (( segid " " and resid 35 and name HD2 )) (( segid " " and resid 35 and name HE2 )) OR { 1347} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 135 and name HE1 )) ASSI { 1348} (( segid " " and resid 135 and name HG1 )) (( segid " " and resid 135 and name HE1 )) 2.500 0.800 0.800 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.34412E-02 ppm1 1.206 ppm2 2.795 CV 1 OR { 1348} (( segid " " and resid 35 and name HG1 )) (( segid " " and resid 35 and name HE1 )) OR { 1348} (( segid " " and resid 135 and name HG1 )) (( segid " " and resid 135 and name HE2 )) OR { 1348} (( segid " " and resid 35 and name HG1 )) (( segid " " and resid 35 and name HE2 )) ASSI { 1349} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 53 and name HB2 )) 3.100 1.200 1.200 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.16424E-02 ppm1 1.183 ppm2 2.788 CV 1 OR { 1349} ( segid " " and resid 158 and name HG2%) (( segid " " and resid 153 and name HB2 )) ASSI { 1350} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 135 and name HE1 )) 2.500 0.800 0.800 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.40473E-02 ppm1 0.947 ppm2 2.788 CV 1 OR { 1350} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 35 and name HE1 )) OR { 1350} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 135 and name HE2 )) OR { 1350} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 35 and name HE2 )) ASSI { 1351} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 141 and name HB2 )) 4.600 2.700 1.400 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.32742E-03 ppm1 0.716 ppm2 2.793 CV 1 OR { 1351} ( segid " " and resid 134 and name HG2%) (( segid " " and resid 41 and name HB1 )) OR { 1351} ( segid " " and resid 134 and name HG2%) (( segid " " and resid 135 and name HE1 )) OR { 1351} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 35 and name HE1 )) OR { 1351} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 35 and name HE2 )) ASSI { 1352} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB1 )) 2.400 0.700 0.700 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.61672E-02 ppm1 4.574 ppm2 2.733 CV 1 OR { 1352} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB2 )) ASSI { 1355} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 142 and name HB2 )) 3.900 1.900 1.900 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.43450E-03 ppm1 2.018 ppm2 2.714 CV 1 OR { 1355} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 42 and name HB2 )) OR { 1355} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 142 and name HB2 )) ASSI { 1356} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB1 )) 2.200 0.600 0.600 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.99044E-02 ppm1 4.384 ppm2 2.665 CV 1 OR { 1356} (( segid " " and resid 169 and name HA )) (( segid " " and resid 169 and name HB1 )) ASSI { 1357} (( segid " " and resid 165 and name HA )) (( segid " " and resid 165 and name HB2 )) 2.400 0.700 0.700 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.49082E-02 ppm1 3.914 ppm2 2.660 CV 1 OR { 1357} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HB2 )) ASSI { 1359} (( segid " " and resid 165 and name HB1 )) (( segid " " and resid 165 and name HB2 )) 1.500 0.300 0.700 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.26885E-01 ppm1 2.982 ppm2 2.667 CV 1 OR { 1359} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 65 and name HB2 )) ASSI { 1362} (( segid " " and resid 62 and name HA )) (( segid " " and resid 65 and name HB2 )) 1.900 1.900 4.100 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.14492E-01 ppm1 4.431 ppm2 2.629 CV 1 OR { 1362} (( segid " " and resid 162 and name HA )) (( segid " " and resid 165 and name HB2 )) ASSI { 1363} (( segid " " and resid 166 and name HA )) (( segid " " and resid 166 and name HG2 )) 2.400 0.700 0.700 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.61249E-02 ppm1 4.158 ppm2 2.613 CV 1 OR { 1363} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HG1 )) ASSI { 1364} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 62 and name HB1 )) 4.700 2.800 1.300 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.13055E-03 ppm1 1.183 ppm2 2.622 CV 1 OR { 1364} ( segid " " and resid 158 and name HG2%) (( segid " " and resid 162 and name HB1 )) ASSI { 1365} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 62 and name HB1 )) 3.400 3.400 2.600 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.16003E-02 ppm1 0.837 ppm2 2.627 CV 1 OR { 1365} ( segid " " and resid 163 and name HG1%) (( segid " " and resid 162 and name HB1 )) ASSI { 1366} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 140 and name HB2 )) 4.600 2.600 1.400 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.35877E-03 ppm1 0.474 ppm2 2.597 CV 1 OR { 1366} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 40 and name HB2 )) ASSI { 1367} (( segid " " and resid 139 and name HA )) (( segid " " and resid 140 and name HB2 )) 3.700 1.700 1.700 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.10727E-02 ppm1 3.970 ppm2 2.578 CV 1 OR { 1367} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HB2 )) ASSI { 1368} (( segid " " and resid 63 and name HA )) (( segid " " and resid 62 and name HB1 )) 4.000 2.000 2.000 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.31174E-03 ppm1 3.518 ppm2 2.578 CV 1 OR { 1368} (( segid " " and resid 163 and name HA )) (( segid " " and resid 162 and name HB1 )) OR { 1368} (( segid " " and resid 63 and name HA )) (( segid " " and resid 66 and name HG1 )) OR { 1368} (( segid " " and resid 163 and name HA )) (( segid " " and resid 166 and name HG2 )) ASSI { 1370} (( segid " " and resid 166 and name HG1 )) (( segid " " and resid 166 and name HG2 )) 1.200 0.200 1.000 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.94070E-01 ppm1 2.431 ppm2 2.563 CV 1 OR { 1370} (( segid " " and resid 66 and name HG2 )) (( segid " " and resid 66 and name HG1 )) ASSI { 1372} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HB2 )) 1.800 0.400 0.400 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.10671E-01 ppm1 2.335 ppm2 2.582 CV 1 OR { 1372} (( segid " " and resid 140 and name HB1 )) (( segid " " and resid 140 and name HB2 )) ASSI { 1376} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 140 and name HB2 )) 2.900 2.900 3.100 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.40076E-02 ppm1 1.268 ppm2 2.593 CV 1 OR { 1376} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 162 and name HB1 )) OR { 1376} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 62 and name HB1 )) ASSI { 1378} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 40 and name HB2 )) 2.500 2.500 3.500 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.10208E-02 ppm1 0.736 ppm2 2.583 CV 1 OR { 1378} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 140 and name HB2 )) ASSI { 1379} ( segid " " and resid 134 and name HG2%) (( segid " " and resid 40 and name HB2 )) 2.500 0.800 0.800 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.34283E-02 ppm1 0.716 ppm2 2.584 CV 1 OR { 1379} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 140 and name HB2 )) ASSI { 1383} (( segid " " and resid 137 and name HA )) (( segid " " and resid 138 and name HB2 )) 3.300 1.300 1.300 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.36491E-02 ppm1 4.142 ppm2 2.473 CV 1 OR { 1383} (( segid " " and resid 37 and name HA )) (( segid " " and resid 38 and name HB2 )) OR { 1383} (( segid " " and resid 137 and name HA )) (( segid " " and resid 138 and name HB1 )) OR { 1383} (( segid " " and resid 37 and name HA )) (( segid " " and resid 38 and name HB1 )) ASSI { 1390} ( segid " " and resid 137 and name HG1%) (( segid " " and resid 138 and name HB1 )) 3.700 1.700 1.700 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.14311E-02 ppm1 0.827 ppm2 2.452 CV 1 OR { 1390} ( segid " " and resid 37 and name HG1%) (( segid " " and resid 38 and name HB1 )) OR { 1390} ( segid " " and resid 137 and name HG1%) (( segid " " and resid 138 and name HB2 )) OR { 1390} ( segid " " and resid 37 and name HG1%) (( segid " " and resid 38 and name HB2 )) ASSI { 1391} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HG1 )) 2.100 0.500 0.500 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.13679E-01 ppm1 4.189 ppm2 2.388 CV 1 OR { 1391} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HG1 )) OR { 1391} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HG2 )) OR { 1391} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HG2 )) ASSI { 1393} (( segid " " and resid 45 and name HA )) (( segid " " and resid 44 and name HG2 )) 3.900 1.900 1.900 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.33646E-03 ppm1 3.961 ppm2 2.359 CV 1 OR { 1393} (( segid " " and resid 145 and name HA )) (( segid " " and resid 144 and name HG2 )) ASSI { 1394} (( segid " " and resid 148 and name HD2 )) (( segid " " and resid 144 and name HG2 )) 3.500 3.500 2.500 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.44991E-03 ppm1 3.392 ppm2 2.371 CV 1 OR { 1394} (( segid " " and resid 48 and name HD1 )) (( segid " " and resid 44 and name HG2 )) ASSI { 1399} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HB1 )) 4.000 2.000 2.000 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.71179E-03 ppm1 3.982 ppm2 2.332 CV 1 OR { 1399} (( segid " " and resid 139 and name HA )) (( segid " " and resid 140 and name HB1 )) ASSI { 1400} (( segid " " and resid 176 and name HA )) (( segid " " and resid 176 and name HG2 )) 2.100 0.600 0.600 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.10125E-01 ppm1 3.890 ppm2 2.304 CV 1 OR { 1400} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HG2 )) OR { 1400} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HG1 )) ASSI { 1409} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 76 and name HG1 )) 2.500 2.500 3.500 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.58507E-02 ppm1 1.939 ppm2 2.315 CV 1 OR { 1409} (( segid " " and resid 148 and name HB1 )) (( segid " " and resid 76 and name HG2 )) OR { 1409} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 176 and name HG1 )) ASSI { 1410} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HB1 )) 1.500 0.300 0.700 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.28515E-01 ppm1 1.908 ppm2 2.301 CV 1 OR { 1410} (( segid " " and resid 128 and name HB1 )) (( segid " " and resid 128 and name HB2 )) ASSI { 1413} ( segid " " and resid 172 and name HD2%) (( segid " " and resid 176 and name HG1 )) 2.900 2.900 3.100 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.40945E-02 ppm1 1.059 ppm2 2.305 CV 1 OR { 1413} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 76 and name HG1 )) OR { 1413} ( segid " " and resid 172 and name HD2%) (( segid " " and resid 176 and name HG2 )) OR { 1413} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 76 and name HG2 )) ASSI { 1414} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 40 and name HB1 )) 2.200 2.200 3.800 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.22503E-02 ppm1 0.737 ppm2 2.326 CV 1 OR { 1414} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 140 and name HB1 )) OR { 1414} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 143 and name HG1 )) ASSI { 1415} ( segid " " and resid 134 and name HG2%) (( segid " " and resid 40 and name HB1 )) 2.400 0.700 0.700 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.58113E-02 ppm1 0.717 ppm2 2.333 CV 1 OR { 1415} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 140 and name HB1 )) ASSI { 1417} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HB1 )) 2.200 0.600 0.600 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.81268E-02 ppm1 4.432 ppm2 2.267 CV 1 OR { 1417} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB2 )) ASSI { 1419} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HG2 )) 2.200 0.600 0.600 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.98504E-02 ppm1 4.241 ppm2 2.266 CV 1 OR { 1419} (( segid " " and resid 174 and name HA )) (( segid " " and resid 174 and name HG2 )) OR { 1419} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HG2 )) OR { 1419} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HG2 )) OR { 1419} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HG1 )) OR { 1419} (( segid " " and resid 174 and name HA )) (( segid " " and resid 174 and name HG1 )) ASSI { 1420} (( segid " " and resid 166 and name HA )) (( segid " " and resid 166 and name HB2 )) 1.800 0.400 0.400 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.25223E-01 ppm1 4.154 ppm2 2.265 CV 1 OR { 1420} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HB2 )) OR { 1420} (( segid " " and resid 166 and name HA )) (( segid " " and resid 166 and name HB1 )) OR { 1420} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HB1 )) ASSI { 1421} (( segid " " and resid 173 and name HA )) (( segid " " and resid 176 and name HG1 )) 5.100 3.300 0.900 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.12779E-03 ppm1 4.052 ppm2 2.287 CV 1 OR { 1421} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HG1 )) OR { 1421} (( segid " " and resid 173 and name HA )) (( segid " " and resid 176 and name HG2 )) OR { 1421} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HG2 )) OR { 1421} (( segid " " and resid 173 and name HA )) (( segid " " and resid 174 and name HG2 )) ASSI { 1422} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 128 and name HB2 )) 5.100 3.200 0.900 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.39903E-04 ppm1 3.927 ppm2 2.264 CV 1 OR { 1422} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 128 and name HB2 )) OR { 1422} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 28 and name HB1 )) OR { 1422} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 143 and name HG1 )) OR { 1422} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 43 and name HG1 )) OR { 1422} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 143 and name HG2 )) OR { 1422} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 43 and name HG2 )) OR { 1422} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 143 and name HG1 )) ASSI { 1423} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HG2 )) 2.300 0.600 0.600 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.68710E-02 ppm1 3.895 ppm2 2.287 CV 1 OR { 1423} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HG2 )) OR { 1423} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HG1 )) OR { 1423} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HG1 )) ASSI { 1424} (( segid " " and resid 172 and name HA )) (( segid " " and resid 176 and name HG1 )) 4.800 2.800 1.200 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.12211E-03 ppm1 3.866 ppm2 2.268 CV 1 OR { 1424} (( segid " " and resid 72 and name HA )) (( segid " " and resid 76 and name HG1 )) OR { 1424} (( segid " " and resid 172 and name HA )) (( segid " " and resid 176 and name HG2 )) OR { 1424} (( segid " " and resid 72 and name HA )) (( segid " " and resid 76 and name HG2 )) ASSI { 1427} (( segid " " and resid 63 and name HA )) (( segid " " and resid 66 and name HB2 )) 2.200 0.600 0.600 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.57996E-02 ppm1 3.518 ppm2 2.270 CV 1 OR { 1427} (( segid " " and resid 163 and name HA )) (( segid " " and resid 166 and name HB2 )) OR { 1427} (( segid " " and resid 163 and name HA )) (( segid " " and resid 166 and name HB1 )) OR { 1427} (( segid " " and resid 63 and name HA )) (( segid " " and resid 66 and name HB1 )) ASSI { 1429} (( segid " " and resid 33 and name HE2 )) (( segid " " and resid 143 and name HG1 )) 3.700 1.700 1.700 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.92264E-04 ppm1 3.015 ppm2 2.281 CV 1 OR { 1429} (( segid " " and resid 133 and name HE2 )) (( segid " " and resid 43 and name HG1 )) OR { 1429} (( segid " " and resid 33 and name HE1 )) (( segid " " and resid 143 and name HG1 )) OR { 1429} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 43 and name HG1 )) OR { 1429} (( segid " " and resid 33 and name HE2 )) (( segid " " and resid 143 and name HG2 )) OR { 1429} (( segid " " and resid 133 and name HE2 )) (( segid " " and resid 43 and name HG2 )) ASSI { 1430} (( segid " " and resid 165 and name HB1 )) (( segid " " and resid 166 and name HB2 )) 4.100 2.100 1.900 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.61240E-03 ppm1 2.988 ppm2 2.265 CV 1 OR { 1430} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 66 and name HB2 )) OR { 1430} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 66 and name HB1 )) ASSI { 1431} (( segid " " and resid 135 and name HE2 )) (( segid " " and resid 43 and name HG2 )) 3.000 1.200 1.200 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.21533E-02 ppm1 2.789 ppm2 2.280 CV 1 OR { 1431} (( segid " " and resid 35 and name HE2 )) (( segid " " and resid 143 and name HG2 )) OR { 1431} (( segid " " and resid 135 and name HE2 )) (( segid " " and resid 43 and name HG1 )) OR { 1431} (( segid " " and resid 35 and name HE2 )) (( segid " " and resid 143 and name HG1 )) OR { 1431} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 43 and name HG2 )) OR { 1431} (( segid " " and resid 35 and name HE1 )) (( segid " " and resid 143 and name HG2 )) OR { 1431} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 43 and name HG1 )) ASSI { 1434} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HG1 )) 1.700 0.300 0.500 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.43421E-01 ppm1 2.101 ppm2 2.281 CV 1 OR { 1434} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HG1 )) OR { 1434} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HG2 )) OR { 1434} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 143 and name HG1 )) OR { 1434} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HG1 )) OR { 1434} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HG2 )) OR { 1434} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 143 and name HG2 )) ASSI { 1435} (( segid " " and resid 122 and name HB1 )) (( segid " " and resid 122 and name HG2 )) 1.600 0.300 0.600 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.68184E-01 ppm1 2.050 ppm2 2.271 CV 1 OR { 1435} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HG2 )) OR { 1435} (( segid " " and resid 122 and name HB1 )) (( segid " " and resid 122 and name HG1 )) OR { 1435} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HG1 )) ASSI { 1439} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HG1 )) 2.000 0.500 0.500 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.20641E-01 ppm1 1.951 ppm2 2.273 CV 1 OR { 1439} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HG1 )) OR { 1439} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HG1 )) OR { 1439} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 122 and name HG1 )) OR { 1439} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HG2 )) OR { 1439} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 122 and name HG2 )) OR { 1439} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HG1 )) OR { 1439} (( segid " " and resid 117 and name HB1 )) (( segid " " and resid 117 and name HG1 )) OR { 1439} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 117 and name HG2 )) OR { 1439} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HG2 )) ASSI { 1441} (( segid " " and resid 156 and name HB2 )) (( segid " " and resid 156 and name HB1 )) 1.600 0.300 0.600 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.11523E-01 ppm1 1.936 ppm2 2.268 CV 1 OR { 1441} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 56 and name HB2 )) ASSI { 1444} ( segid " " and resid 152 and name HB% ) (( segid " " and resid 76 and name HG2 )) 2.400 2.400 3.600 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.50376E-02 ppm1 1.819 ppm2 2.293 CV 1 OR { 1444} ( segid " " and resid 52 and name HB% ) (( segid " " and resid 176 and name HG2 )) OR { 1444} ( segid " " and resid 152 and name HB% ) (( segid " " and resid 76 and name HG1 )) OR { 1444} ( segid " " and resid 52 and name HB% ) (( segid " " and resid 176 and name HG1 )) ASSI { 1448} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 76 and name HG1 )) 2.700 2.700 3.300 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.56249E-02 ppm1 1.685 ppm2 2.263 CV 1 OR { 1448} (( segid " " and resid 173 and name HG1 )) (( segid " " and resid 176 and name HG1 )) OR { 1448} (( segid " " and resid 173 and name HG1 )) (( segid " " and resid 174 and name HG1 )) OR { 1448} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 74 and name HG1 )) OR { 1448} (( segid " " and resid 173 and name HG1 )) (( segid " " and resid 174 and name HG2 )) OR { 1448} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 74 and name HG2 )) ASSI { 1449} (( segid " " and resid 135 and name HD2 )) (( segid " " and resid 43 and name HG2 )) 3.800 1.800 1.800 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.48303E-03 ppm1 1.539 ppm2 2.271 CV 1 OR { 1449} (( segid " " and resid 35 and name HD1 )) (( segid " " and resid 143 and name HG2 )) OR { 1449} (( segid " " and resid 135 and name HD2 )) (( segid " " and resid 43 and name HG1 )) OR { 1449} (( segid " " and resid 35 and name HD1 )) (( segid " " and resid 143 and name HG1 )) ASSI { 1450} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 43 and name HG2 )) 3.500 1.500 1.500 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.25185E-02 ppm1 1.481 ppm2 2.276 CV 1 OR { 1450} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 143 and name HG2 )) OR { 1450} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 43 and name HG2 )) OR { 1450} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 143 and name HG2 )) OR { 1450} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 43 and name HG1 )) OR { 1450} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 43 and name HG1 )) OR { 1450} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 143 and name HG1 )) ASSI { 1451} (( segid " " and resid 35 and name HD2 )) (( segid " " and resid 143 and name HG2 )) 3.700 1.700 1.700 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.57872E-03 ppm1 1.432 ppm2 2.283 CV 1 OR { 1451} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 43 and name HG2 )) OR { 1451} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 43 and name HG1 )) OR { 1451} (( segid " " and resid 35 and name HD2 )) (( segid " " and resid 143 and name HG1 )) ASSI { 1452} ( segid " " and resid 147 and name HG2%) (( segid " " and resid 143 and name HG2 )) 2.800 2.800 3.200 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.12331E-02 ppm1 1.289 ppm2 2.284 CV 1 OR { 1452} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 43 and name HG2 )) OR { 1452} ( segid " " and resid 147 and name HG2%) (( segid " " and resid 76 and name HG1 )) OR { 1452} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 176 and name HG1 )) OR { 1452} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 176 and name HG2 )) OR { 1452} ( segid " " and resid 147 and name HG2%) (( segid " " and resid 76 and name HG2 )) OR { 1452} ( segid " " and resid 147 and name HG2%) (( segid " " and resid 153 and name HB1 )) ASSI { 1453} (( segid " " and resid 135 and name HG1 )) (( segid " " and resid 43 and name HG2 )) 3.600 1.700 1.700 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.84580E-03 ppm1 1.206 ppm2 2.284 CV 1 OR { 1453} (( segid " " and resid 35 and name HG1 )) (( segid " " and resid 143 and name HG2 )) OR { 1453} (( segid " " and resid 135 and name HG1 )) (( segid " " and resid 43 and name HG1 )) ASSI { 1454} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 66 and name HB1 )) 3.200 1.200 1.200 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.19756E-02 ppm1 1.079 ppm2 2.261 CV 1 OR { 1454} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 66 and name HB2 )) OR { 1454} ( segid " " and resid 167 and name HD1%) (( segid " " and resid 166 and name HB1 )) OR { 1454} ( segid " " and resid 167 and name HD1%) (( segid " " and resid 166 and name HB2 )) ASSI { 1456} ( segid " " and resid 167 and name HD2%) (( segid " " and resid 166 and name HB1 )) 3.500 1.500 1.500 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.10318E-02 ppm1 0.565 ppm2 2.278 CV 1 OR { 1456} ( segid " " and resid 167 and name HD2%) (( segid " " and resid 166 and name HB2 )) OR { 1456} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 66 and name HB1 )) OR { 1456} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 66 and name HB2 )) ASSI { 1457} ( segid " " and resid 163 and name HG2%) (( segid " " and resid 153 and name HB1 )) 3.400 1.400 1.400 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.14152E-02 ppm1 -0.193 ppm2 2.264 CV 1 OR { 1457} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 66 and name HB2 )) OR { 1457} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 66 and name HB1 )) OR { 1457} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 53 and name HB1 )) OR { 1457} ( segid " " and resid 163 and name HG2%) (( segid " " and resid 166 and name HB2 )) ASSI { 1459} (( segid " " and resid 67 and name HA )) (( segid " " and resid 66 and name HB1 )) 5.000 3.100 1.000 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.80754E-04 ppm1 4.170 ppm2 2.258 CV 1 OR { 1459} (( segid " " and resid 167 and name HA )) (( segid " " and resid 166 and name HB1 )) OR { 1459} (( segid " " and resid 67 and name HA )) (( segid " " and resid 66 and name HB2 )) OR { 1459} (( segid " " and resid 167 and name HA )) (( segid " " and resid 166 and name HB2 )) ASSI { 1460} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB )) 2.700 0.900 0.900 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.28702E-02 ppm1 4.143 ppm2 2.224 CV 1 OR { 1460} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB )) ASSI { 1461} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB1 )) 2.500 0.800 0.800 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.49266E-02 ppm1 3.980 ppm2 2.250 CV 1 OR { 1461} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HB1 )) ASSI { 1464} (( segid " " and resid 166 and name HG2 )) (( segid " " and resid 166 and name HB1 )) 1.800 0.400 0.400 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.23111E-01 ppm1 2.574 ppm2 2.251 CV 1 OR { 1464} (( segid " " and resid 66 and name HG1 )) (( segid " " and resid 66 and name HB2 )) OR { 1464} (( segid " " and resid 166 and name HG2 )) (( segid " " and resid 166 and name HB2 )) OR { 1464} (( segid " " and resid 66 and name HG1 )) (( segid " " and resid 66 and name HB1 )) ASSI { 1468} (( segid " " and resid 67 and name HG )) (( segid " " and resid 66 and name HB1 )) 6.000 4.800 0.000 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.60591E-04 ppm1 2.024 ppm2 2.241 CV 1 OR { 1468} (( segid " " and resid 167 and name HG )) (( segid " " and resid 166 and name HB1 )) OR { 1468} (( segid " " and resid 67 and name HG )) (( segid " " and resid 66 and name HB2 )) OR { 1468} (( segid " " and resid 167 and name HG )) (( segid " " and resid 166 and name HB2 )) ASSI { 1469} (( segid " " and resid 174 and name HB1 )) (( segid " " and resid 174 and name HG2 )) 6.000 5.000 0.000 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.20366E-04 ppm1 1.871 ppm2 2.251 CV 1 OR { 1469} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HG2 )) OR { 1469} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HG1 )) OR { 1469} (( segid " " and resid 174 and name HB1 )) (( segid " " and resid 174 and name HG1 )) ASSI { 1471} ( segid " " and resid 154 and name HB% ) (( segid " " and resid 153 and name HB1 )) 4.100 2.100 1.900 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.69470E-03 ppm1 1.536 ppm2 2.233 CV 1 OR { 1471} ( segid " " and resid 54 and name HB% ) (( segid " " and resid 53 and name HB1 )) ASSI { 1472} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 56 and name HB2 )) 2.300 0.700 0.700 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.66249E-02 ppm1 1.182 ppm2 2.255 CV 1 OR { 1472} ( segid " " and resid 158 and name HG2%) (( segid " " and resid 156 and name HB1 )) OR { 1472} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 53 and name HB1 )) ASSI { 1474} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 53 and name HB1 )) 3.100 1.200 1.200 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.22119E-02 ppm1 0.836 ppm2 2.252 CV 1 OR { 1474} ( segid " " and resid 163 and name HG1%) (( segid " " and resid 166 and name HB2 )) OR { 1474} ( segid " " and resid 163 and name HG1%) (( segid " " and resid 166 and name HB1 )) OR { 1474} ( segid " " and resid 163 and name HG1%) (( segid " " and resid 153 and name HB1 )) ASSI { 1477} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 144 and name HB1 )) 2.500 2.500 3.500 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.28283E-02 ppm1 3.170 ppm2 2.186 CV 1 OR { 1477} (( segid " " and resid 45 and name HE2 )) (( segid " " and resid 44 and name HB1 )) OR { 1477} (( segid " " and resid 45 and name HE2 )) (( segid " " and resid 137 and name HB )) ASSI { 1479} (( segid " " and resid 45 and name HE1 )) (( segid " " and resid 44 and name HB1 )) 2.700 2.700 3.300 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.16434E-02 ppm1 2.878 ppm2 2.185 CV 1 OR { 1479} (( segid " " and resid 45 and name HE1 )) (( segid " " and resid 137 and name HB )) ASSI { 1481} (( segid " " and resid 39 and name HB )) (( segid " " and resid 137 and name HB )) 2.800 0.900 0.900 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.18968E-02 ppm1 1.802 ppm2 2.207 CV 1 OR { 1481} (( segid " " and resid 139 and name HB )) (( segid " " and resid 37 and name HB )) OR { 1481} (( segid " " and resid 39 and name HB )) (( segid " " and resid 37 and name HB )) ASSI { 1482} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 144 and name HB1 )) 1.800 1.800 4.200 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.58783E-02 ppm1 1.511 ppm2 2.177 CV 1 OR { 1482} (( segid " " and resid 173 and name HG2 )) (( segid " " and resid 44 and name HB1 )) OR { 1482} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 144 and name HB2 )) ASSI { 1483} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 44 and name HB1 )) 2.900 1.100 1.100 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.22409E-02 ppm1 1.431 ppm2 2.197 CV 1 OR { 1483} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 144 and name HB1 )) OR { 1483} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 44 and name HB2 )) OR { 1483} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 144 and name HB2 )) OR { 1483} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 44 and name HB2 )) OR { 1483} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 144 and name HB2 )) OR { 1483} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 44 and name HB1 )) ASSI { 1489} (( segid " " and resid 147 and name HB )) (( segid " " and resid 148 and name HB2 )) 6.000 6.000 0.000 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.19460E-04 ppm1 4.438 ppm2 2.159 CV 1 OR { 1489} (( segid " " and resid 47 and name HB )) (( segid " " and resid 44 and name HB1 )) OR { 1489} (( segid " " and resid 47 and name HB )) (( segid " " and resid 48 and name HB1 )) ASSI { 1490} (( segid " " and resid 147 and name HB )) (( segid " " and resid 144 and name HB1 )) 6.000 5.000 0.000 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.19172E-04 ppm1 4.422 ppm2 2.165 CV 1 OR { 1490} (( segid " " and resid 47 and name HB )) (( segid " " and resid 44 and name HB1 )) ASSI { 1492} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HB1 )) 1.800 0.400 0.400 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.27149E-01 ppm1 4.187 ppm2 2.172 CV 1 OR { 1492} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HB1 )) OR { 1492} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HB2 )) OR { 1492} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HB2 )) ASSI { 1493} (( segid " " and resid 145 and name HA )) (( segid " " and resid 148 and name HB2 )) 2.200 0.600 0.600 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.83969E-02 ppm1 3.969 ppm2 2.155 CV 1 OR { 1493} (( segid " " and resid 45 and name HA )) (( segid " " and resid 44 and name HB1 )) OR { 1493} (( segid " " and resid 145 and name HA )) (( segid " " and resid 144 and name HB1 )) OR { 1493} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HB1 )) ASSI { 1495} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 44 and name HB2 )) 2.800 1.000 1.000 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.31271E-02 ppm1 2.842 ppm2 2.154 CV 1 OR { 1495} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 144 and name HB2 )) OR { 1495} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 44 and name HB1 )) ASSI { 1496} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 44 and name HB2 )) 3.000 1.100 1.100 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.32918E-02 ppm1 2.740 ppm2 2.171 CV 1 OR { 1496} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 144 and name HB2 )) OR { 1496} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 44 and name HB1 )) ASSI { 1501} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 44 and name HB1 )) 2.400 2.400 3.600 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.35584E-02 ppm1 1.836 ppm2 2.169 CV 1 OR { 1501} (( segid " " and resid 145 and name HD2 )) (( segid " " and resid 144 and name HB1 )) OR { 1501} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 44 and name HB2 )) OR { 1501} (( segid " " and resid 45 and name HD1 )) (( segid " " and resid 44 and name HB1 )) OR { 1501} (( segid " " and resid 45 and name HD1 )) (( segid " " and resid 137 and name HB )) ASSI { 1504} ( segid " " and resid 54 and name HB% ) (( segid " " and resid 55 and name HB2 )) 3.800 1.800 1.800 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.85302E-03 ppm1 1.538 ppm2 2.136 CV 1 OR { 1504} ( segid " " and resid 51 and name HB% ) (( segid " " and resid 55 and name HB2 )) OR { 1504} ( segid " " and resid 51 and name HB% ) (( segid " " and resid 48 and name HB1 )) OR { 1504} ( segid " " and resid 154 and name HB% ) (( segid " " and resid 155 and name HB1 )) ASSI { 1509} (( segid " " and resid 48 and name HD2 )) (( segid " " and resid 48 and name HB1 )) 2.300 0.700 0.700 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.40687E-02 ppm1 3.267 ppm2 2.124 CV 1 OR { 1509} (( segid " " and resid 155 and name HD2 )) (( segid " " and resid 155 and name HB1 )) OR { 1509} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HB2 )) OR { 1509} (( segid " " and resid 148 and name HD1 )) (( segid " " and resid 148 and name HB2 )) ASSI { 1510} (( segid " " and resid 148 and name HG1 )) (( segid " " and resid 148 and name HB2 )) 2.200 0.600 0.600 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.40094E-02 ppm1 1.668 ppm2 2.123 CV 1 OR { 1510} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 48 and name HB1 )) ASSI { 1511} ( segid " " and resid 161 and name HG2%) (( segid " " and resid 164 and name HB )) 5.300 3.500 0.700 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.10772E-03 ppm1 1.262 ppm2 2.115 CV 1 OR { 1511} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 64 and name HB )) ASSI { 1517} ( segid " " and resid 24 and name HG1%) (( segid " " and resid 24 and name HB )) 1.900 0.500 0.500 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.17667E-01 ppm1 0.973 ppm2 2.092 CV 1 OR { 1517} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 125 and name HB )) OR { 1517} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 25 and name HB )) OR { 1517} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 25 and name HB )) OR { 1517} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HB )) ASSI { 1518} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 64 and name HB )) 1.900 1.900 4.100 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.10900E-01 ppm1 0.954 ppm2 2.104 CV 1 OR { 1518} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 164 and name HB )) ASSI { 1521} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 64 and name HB )) 2.600 0.800 0.800 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.47746E-02 ppm1 0.473 ppm2 2.113 CV 1 OR { 1521} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 164 and name HB )) ASSI { 1523} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB )) 2.400 0.700 0.700 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.52810E-02 ppm1 4.194 ppm2 2.076 CV 1 OR { 1523} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HB )) ASSI { 1528} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HB2 )) 2.100 0.600 0.600 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.10805E-01 ppm1 3.888 ppm2 2.082 CV 1 OR { 1528} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB2 )) OR { 1528} (( segid " " and resid 143 and name HA )) (( segid " " and resid 143 and name HB1 )) OR { 1528} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB1 )) ASSI { 1529} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB1 )) 2.300 0.700 0.700 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.65242E-02 ppm1 3.867 ppm2 2.058 CV 1 OR { 1529} (( segid " " and resid 172 and name HA )) (( segid " " and resid 172 and name HB1 )) ASSI { 1534} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 43 and name HB2 )) 3.900 1.900 1.900 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.84457E-03 ppm1 1.479 ppm2 2.070 CV 1 OR { 1534} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 143 and name HB2 )) OR { 1534} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 43 and name HB2 )) OR { 1534} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 143 and name HB2 )) OR { 1534} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 143 and name HB1 )) ASSI { 1535} (( segid " " and resid 135 and name HG1 )) (( segid " " and resid 43 and name HB2 )) 3.500 1.500 1.500 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.11048E-02 ppm1 1.212 ppm2 2.067 CV 1 OR { 1535} (( segid " " and resid 35 and name HG1 )) (( segid " " and resid 143 and name HB2 )) OR { 1535} (( segid " " and resid 35 and name HG1 )) (( segid " " and resid 143 and name HB1 )) ASSI { 1552} ( segid " " and resid 124 and name HG1%) (( segid " " and resid 124 and name HB )) 1.800 0.400 0.400 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.25603E-01 ppm1 0.951 ppm2 2.067 CV 1 OR { 1552} ( segid " " and resid 125 and name HG1%) (( segid " " and resid 125 and name HB )) OR { 1552} ( segid " " and resid 25 and name HG1%) (( segid " " and resid 25 and name HB )) OR { 1552} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 25 and name HB )) OR { 1552} ( segid " " and resid 125 and name HG2%) (( segid " " and resid 125 and name HB )) ASSI { 1554} ( segid " " and resid 110 and name HG2%) (( segid " " and resid 110 and name HB )) 1.800 0.400 0.400 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.26537E-01 ppm1 0.932 ppm2 2.075 CV 1 OR { 1554} ( segid " " and resid 124 and name HG1%) (( segid " " and resid 124 and name HB )) OR { 1554} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 10 and name HB )) OR { 1554} ( segid " " and resid 110 and name HG1%) (( segid " " and resid 110 and name HB )) OR { 1554} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 24 and name HB )) ASSI { 1559} (( segid " " and resid 27 and name HA )) (( segid " " and resid 28 and name HG2 )) 4.600 2.700 1.400 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.74010E-03 ppm1 4.609 ppm2 2.033 CV 1 OR { 1559} (( segid " " and resid 127 and name HA )) (( segid " " and resid 128 and name HG2 )) OR { 1559} (( segid " " and resid 27 and name HA )) (( segid " " and resid 28 and name HG1 )) OR { 1559} (( segid " " and resid 127 and name HA )) (( segid " " and resid 128 and name HG1 )) ASSI { 1563} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB2 )) 2.000 0.500 0.500 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.19175E-01 ppm1 3.890 ppm2 2.017 CV 1 OR { 1563} (( segid " " and resid 176 and name HA )) (( segid " " and resid 176 and name HB2 )) OR { 1563} (( segid " " and resid 176 and name HA )) (( segid " " and resid 176 and name HB1 )) OR { 1563} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB1 )) ASSI { 1564} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG )) 2.000 0.500 0.500 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.79089E-02 ppm1 3.883 ppm2 2.033 CV 1 OR { 1564} (( segid " " and resid 172 and name HA )) (( segid " " and resid 172 and name HG )) ASSI { 1570} (( segid " " and resid 111 and name HE2 )) (( segid " " and resid 113 and name HB2 )) 2.100 2.100 3.900 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.27248E-02 ppm1 3.017 ppm2 2.009 CV 1 OR { 1570} (( segid " " and resid 11 and name HE2 )) (( segid " " and resid 13 and name HB2 )) OR { 1570} (( segid " " and resid 111 and name HE2 )) (( segid " " and resid 113 and name HB1 )) OR { 1570} (( segid " " and resid 11 and name HE2 )) (( segid " " and resid 13 and name HB1 )) OR { 1570} (( segid " " and resid 11 and name HE1 )) (( segid " " and resid 13 and name HB2 )) OR { 1570} (( segid " " and resid 111 and name HE1 )) (( segid " " and resid 113 and name HB2 )) OR { 1570} (( segid " " and resid 112 and name HE2 )) (( segid " " and resid 113 and name HB2 )) OR { 1570} (( segid " " and resid 12 and name HE2 )) (( segid " " and resid 13 and name HB2 )) OR { 1570} (( segid " " and resid 111 and name HE1 )) (( segid " " and resid 113 and name HB1 )) OR { 1570} (( segid " " and resid 11 and name HE1 )) (( segid " " and resid 13 and name HB1 )) OR { 1570} (( segid " " and resid 112 and name HE1 )) (( segid " " and resid 113 and name HB2 )) OR { 1570} (( segid " " and resid 12 and name HE1 )) (( segid " " and resid 13 and name HB2 )) OR { 1570} (( segid " " and resid 112 and name HE2 )) (( segid " " and resid 113 and name HB1 )) ASSI { 1572} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 145 and name HB2 )) 3.400 1.400 1.400 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.26793E-02 ppm1 2.840 ppm2 2.042 CV 1 OR { 1572} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 45 and name HB2 )) OR { 1572} (( segid " " and resid 142 and name HB1 )) (( segid " " and resid 145 and name HB1 )) ASSI { 1573} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 145 and name HB2 )) 2.900 1.000 1.000 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.27183E-02 ppm1 2.739 ppm2 2.023 CV 1 OR { 1573} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 45 and name HB2 )) OR { 1573} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 145 and name HB1 )) OR { 1573} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 45 and name HB1 )) ASSI { 1579} ( segid " " and resid 152 and name HB% ) (( segid " " and resid 72 and name HG )) 2.400 2.400 3.600 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.60559E-02 ppm1 1.820 ppm2 2.034 CV 1 OR { 1579} ( segid " " and resid 52 and name HB% ) (( segid " " and resid 172 and name HG )) OR { 1579} ( segid " " and resid 52 and name HB% ) (( segid " " and resid 176 and name HB2 )) OR { 1579} ( segid " " and resid 52 and name HB% ) (( segid " " and resid 176 and name HB1 )) ASSI { 1580} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 45 and name HB2 )) 2.200 0.600 0.600 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.59617E-02 ppm1 1.428 ppm2 2.015 CV 1 OR { 1580} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 145 and name HB2 )) OR { 1580} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 145 and name HB1 )) OR { 1580} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 45 and name HB1 )) OR { 1580} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 145 and name HB1 )) OR { 1580} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 145 and name HB2 )) OR { 1580} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 45 and name HB2 )) ASSI { 1581} ( segid " " and resid 172 and name HD2%) (( segid " " and resid 172 and name HG )) 1.700 0.400 0.500 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.23761E-01 ppm1 1.059 ppm2 2.022 CV 1 OR { 1581} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 72 and name HG )) ASSI { 1585} ( segid " " and resid 110 and name HG2%) (( segid " " and resid 110 and name HB )) 2.000 0.500 0.500 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.15543E-01 ppm1 0.913 ppm2 2.048 CV 1 OR { 1585} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 10 and name HB )) OR { 1585} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 10 and name HB )) OR { 1585} ( segid " " and resid 110 and name HG1%) (( segid " " and resid 110 and name HB )) ASSI { 1587} ( segid " " and resid 72 and name HD1%) (( segid " " and resid 72 and name HG )) 1.800 0.400 0.400 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.18407E-01 ppm1 0.877 ppm2 2.028 CV 1 OR { 1587} ( segid " " and resid 172 and name HD1%) (( segid " " and resid 172 and name HG )) OR { 1587} ( segid " " and resid 172 and name HD1%) (( segid " " and resid 45 and name HB1 )) OR { 1587} ( segid " " and resid 72 and name HD1%) (( segid " " and resid 145 and name HB1 )) ASSI { 1588} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 67 and name HG )) 2.700 2.700 3.300 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.45270E-02 ppm1 -0.196 ppm2 2.018 CV 1 OR { 1588} ( segid " " and resid 163 and name HG2%) (( segid " " and resid 167 and name HG )) ASSI { 1591} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB1 )) 2.400 0.700 0.700 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.54264E-02 ppm1 4.520 ppm2 1.985 CV 1 OR { 1591} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB1 )) OR { 1591} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HB2 )) OR { 1591} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB2 )) ASSI { 1592} (( segid " " and resid 70 and name HA )) (( segid " " and resid 73 and name HB2 )) 2.300 2.300 3.700 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.67533E-02 ppm1 4.494 ppm2 1.994 CV 1 OR { 1592} (( segid " " and resid 170 and name HA )) (( segid " " and resid 173 and name HB2 )) OR { 1592} (( segid " " and resid 70 and name HA )) (( segid " " and resid 73 and name HB1 )) OR { 1592} (( segid " " and resid 170 and name HA )) (( segid " " and resid 173 and name HB1 )) ASSI { 1595} (( segid " " and resid 74 and name HA )) (( segid " " and resid 73 and name HB1 )) 2.100 2.100 3.900 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.18206E-01 ppm1 4.246 ppm2 1.980 CV 1 OR { 1595} (( segid " " and resid 174 and name HA )) (( segid " " and resid 173 and name HB1 )) OR { 1595} (( segid " " and resid 174 and name HA )) (( segid " " and resid 173 and name HB2 )) OR { 1595} (( segid " " and resid 74 and name HA )) (( segid " " and resid 73 and name HB2 )) OR { 1595} (( segid " " and resid 174 and name HA )) (( segid " " and resid 176 and name HB2 )) OR { 1595} (( segid " " and resid 74 and name HA )) (( segid " " and resid 76 and name HB2 )) ASSI { 1598} (( segid " " and resid 173 and name HA )) (( segid " " and resid 173 and name HB1 )) 1.800 0.400 0.400 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.23028E-01 ppm1 4.047 ppm2 1.999 CV 1 OR { 1598} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB1 )) OR { 1598} (( segid " " and resid 173 and name HA )) (( segid " " and resid 173 and name HB2 )) OR { 1598} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB2 )) ASSI { 1599} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB1 )) 1.900 0.500 0.500 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.13467E-01 ppm1 3.968 ppm2 1.997 CV 1 OR { 1599} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB1 )) OR { 1599} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HB2 )) OR { 1599} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB2 )) ASSI { 1601} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 45 and name HB2 )) 4.600 2.600 1.400 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.44243E-03 ppm1 3.354 ppm2 1.999 CV 1 OR { 1601} (( segid " " and resid 146 and name HB1 )) (( segid " " and resid 145 and name HB2 )) OR { 1601} (( segid " " and resid 146 and name HB1 )) (( segid " " and resid 145 and name HB1 )) OR { 1601} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 45 and name HB1 )) ASSI { 1605} (( segid " " and resid 66 and name HG1 )) (( segid " " and resid 67 and name HG )) 4.900 3.000 1.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.44927E-03 ppm1 2.569 ppm2 1.989 CV 1 OR { 1605} (( segid " " and resid 166 and name HG2 )) (( segid " " and resid 167 and name HG )) ASSI { 1613} (( segid " " and resid 176 and name HG1 )) (( segid " " and resid 176 and name HB2 )) 1.900 0.500 0.500 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.18006E-01 ppm1 2.298 ppm2 1.999 CV 1 OR { 1613} (( segid " " and resid 76 and name HG1 )) (( segid " " and resid 76 and name HB2 )) OR { 1613} (( segid " " and resid 176 and name HG1 )) (( segid " " and resid 176 and name HB1 )) OR { 1613} (( segid " " and resid 76 and name HG1 )) (( segid " " and resid 76 and name HB1 )) OR { 1613} (( segid " " and resid 76 and name HG2 )) (( segid " " and resid 76 and name HB2 )) OR { 1613} (( segid " " and resid 176 and name HG2 )) (( segid " " and resid 176 and name HB2 )) OR { 1613} (( segid " " and resid 76 and name HG2 )) (( segid " " and resid 76 and name HB1 )) ASSI { 1620} (( segid " " and resid 163 and name HB )) (( segid " " and resid 167 and name HG )) 2.800 2.800 3.200 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.25246E-02 ppm1 1.662 ppm2 1.995 CV 1 OR { 1620} (( segid " " and resid 63 and name HB )) (( segid " " and resid 67 and name HG )) ASSI { 1622} (( segid " " and resid 173 and name HG1 )) (( segid " " and resid 173 and name HB2 )) 2.000 0.500 0.500 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.13007E-01 ppm1 1.661 ppm2 1.991 CV 1 OR { 1622} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 73 and name HB2 )) OR { 1622} (( segid " " and resid 173 and name HG1 )) (( segid " " and resid 173 and name HB1 )) OR { 1622} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 73 and name HB1 )) ASSI { 1624} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HB1 )) 2.000 0.500 0.500 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.14943E-01 ppm1 1.501 ppm2 1.997 CV 1 OR { 1624} (( segid " " and resid 173 and name HG2 )) (( segid " " and resid 173 and name HB1 )) OR { 1624} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HB2 )) OR { 1624} (( segid " " and resid 173 and name HG2 )) (( segid " " and resid 173 and name HB2 )) ASSI { 1627} ( segid " " and resid 167 and name HD2%) (( segid " " and resid 167 and name HG )) 1.700 1.700 4.300 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.15137E-01 ppm1 0.567 ppm2 1.985 CV 1 OR { 1627} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 67 and name HG )) ASSI { 1628} (( segid " " and resid 147 and name HB )) (( segid " " and resid 148 and name HG2 )) 3.800 1.800 1.800 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.68854E-03 ppm1 4.438 ppm2 1.949 CV 1 OR { 1628} (( segid " " and resid 47 and name HB )) (( segid " " and resid 48 and name HG1 )) OR { 1628} (( segid " " and resid 47 and name HB )) (( segid " " and resid 48 and name HB2 )) OR { 1628} (( segid " " and resid 147 and name HB )) (( segid " " and resid 148 and name HB1 )) ASSI { 1629} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB1 )) 2.100 0.500 0.500 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.10658E-01 ppm1 4.432 ppm2 1.939 CV 1 OR { 1629} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HB2 )) ASSI { 1631} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB1 )) 1.800 0.400 0.400 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.37249E-01 ppm1 4.264 ppm2 1.949 CV 1 OR { 1631} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB1 )) OR { 1631} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) OR { 1631} (( segid " " and resid 122 and name HA )) (( segid " " and resid 122 and name HB2 )) OR { 1631} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB2 )) OR { 1631} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB2 )) ASSI { 1634} (( segid " " and resid 167 and name HA )) (( segid " " and resid 167 and name HB1 )) 2.100 0.500 0.500 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.70736E-02 ppm1 4.172 ppm2 1.941 CV 1 OR { 1634} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB1 )) OR { 1634} (( segid " " and resid 167 and name HA )) (( segid " " and resid 167 and name HB2 )) OR { 1634} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB2 )) OR { 1634} (( segid " " and resid 67 and name HA )) (( segid " " and resid 167 and name HB2 )) ASSI { 1635} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HG2 )) 1.700 0.400 0.500 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.33934E-01 ppm1 4.148 ppm2 1.950 CV 1 OR { 1635} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HG2 )) OR { 1635} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HG2 )) OR { 1635} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB1 )) OR { 1635} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB1 )) OR { 1635} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HB2 )) OR { 1635} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HG1 )) OR { 1635} (( segid " " and resid 155 and name HA )) (( segid " " and resid 155 and name HG1 )) ASSI { 1637} (( segid " " and resid 148 and name HD2 )) (( segid " " and resid 148 and name HB1 )) 1.900 0.500 0.500 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.15665E-01 ppm1 3.395 ppm2 1.940 CV 1 OR { 1637} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HG2 )) OR { 1637} (( segid " " and resid 155 and name HD1 )) (( segid " " and resid 155 and name HG2 )) OR { 1637} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HG1 )) OR { 1637} (( segid " " and resid 155 and name HD1 )) (( segid " " and resid 155 and name HG1 )) OR { 1637} (( segid " " and resid 148 and name HD2 )) (( segid " " and resid 148 and name HG2 )) OR { 1637} (( segid " " and resid 48 and name HD1 )) (( segid " " and resid 48 and name HG1 )) ASSI { 1638} (( segid " " and resid 164 and name HA )) (( segid " " and resid 167 and name HB2 )) 3.300 1.300 1.300 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.39245E-02 ppm1 3.396 ppm2 1.943 CV 1 OR { 1638} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HB2 )) OR { 1638} (( segid " " and resid 164 and name HA )) (( segid " " and resid 167 and name HB1 )) OR { 1638} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HB1 )) OR { 1638} (( segid " " and resid 164 and name HA )) (( segid " " and resid 67 and name HB2 )) OR { 1638} (( segid " " and resid 64 and name HA )) (( segid " " and resid 167 and name HB2 )) OR { 1638} (( segid " " and resid 164 and name HA )) (( segid " " and resid 68 and name HB )) ASSI { 1639} (( segid " " and resid 68 and name HA )) (( segid " " and resid 167 and name HB1 )) 2.200 0.600 0.600 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.41949E-02 ppm1 3.288 ppm2 1.929 CV 1 OR { 1639} (( segid " " and resid 168 and name HA )) (( segid " " and resid 67 and name HB1 )) OR { 1639} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB )) OR { 1639} (( segid " " and resid 168 and name HA )) (( segid " " and resid 168 and name HB )) OR { 1639} (( segid " " and resid 68 and name HA )) (( segid " " and resid 167 and name HB2 )) OR { 1639} (( segid " " and resid 168 and name HA )) (( segid " " and resid 67 and name HB2 )) ASSI { 1640} (( segid " " and resid 148 and name HD1 )) (( segid " " and resid 148 and name HG2 )) 2.000 0.500 0.500 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.11312E-01 ppm1 3.268 ppm2 1.940 CV 1 OR { 1640} (( segid " " and resid 155 and name HD2 )) (( segid " " and resid 155 and name HG1 )) OR { 1640} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HG1 )) OR { 1640} (( segid " " and resid 48 and name HD2 )) (( segid " " and resid 48 and name HG1 )) OR { 1640} (( segid " " and resid 155 and name HD2 )) (( segid " " and resid 155 and name HG2 )) OR { 1640} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HG2 )) OR { 1640} (( segid " " and resid 148 and name HD1 )) (( segid " " and resid 148 and name HB1 )) OR { 1640} (( segid " " and resid 48 and name HD2 )) (( segid " " and resid 48 and name HB2 )) ASSI { 1642} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 73 and name HB2 )) 6.000 6.000 0.000 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.19734E-04 ppm1 2.677 ppm2 1.946 CV 1 OR { 1642} (( segid " " and resid 169 and name HB1 )) (( segid " " and resid 173 and name HB2 )) OR { 1642} (( segid " " and resid 165 and name HB2 )) (( segid " " and resid 168 and name HB )) OR { 1642} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 68 and name HB )) OR { 1642} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 68 and name HB )) OR { 1642} (( segid " " and resid 169 and name HB1 )) (( segid " " and resid 168 and name HB )) OR { 1642} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 73 and name HB1 )) OR { 1642} (( segid " " and resid 169 and name HB1 )) (( segid " " and resid 173 and name HB1 )) OR { 1642} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 67 and name HB2 )) OR { 1642} (( segid " " and resid 169 and name HB1 )) (( segid " " and resid 167 and name HB2 )) OR { 1642} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 167 and name HB1 )) OR { 1642} (( segid " " and resid 169 and name HB1 )) (( segid " " and resid 67 and name HB1 )) OR { 1642} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 67 and name HB1 )) ASSI { 1644} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 156 and name HB2 )) 1.800 0.400 0.400 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.13227E-01 ppm1 2.265 ppm2 1.923 CV 1 OR { 1644} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HB1 )) OR { 1644} (( segid " " and resid 117 and name HG1 )) (( segid " " and resid 117 and name HB2 )) OR { 1644} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 17 and name HB2 )) OR { 1644} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 17 and name HB1 )) OR { 1644} (( segid " " and resid 117 and name HG1 )) (( segid " " and resid 117 and name HB1 )) OR { 1644} (( segid " " and resid 117 and name HG2 )) (( segid " " and resid 117 and name HB2 )) OR { 1644} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 17 and name HB2 )) ASSI { 1646} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HB1 )) 1.500 0.300 0.700 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.18102E-01 ppm1 2.108 ppm2 1.942 CV 1 OR { 1646} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 48 and name HB2 )) OR { 1646} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 48 and name HG1 )) ASSI { 1653} ( segid " " and resid 168 and name HG1%) (( segid " " and resid 168 and name HB )) 1.900 0.500 0.500 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.14646E-01 ppm1 0.053 ppm2 1.929 CV 1 OR { 1653} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HB )) ASSI { 1657} (( segid " " and resid 154 and name HA )) (( segid " " and resid 156 and name HB2 )) 6.000 5.200 0.000 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.39398E-04 ppm1 4.246 ppm2 1.902 CV 1 OR { 1657} (( segid " " and resid 154 and name HA )) (( segid " " and resid 155 and name HG2 )) OR { 1657} (( segid " " and resid 54 and name HA )) (( segid " " and resid 55 and name HG2 )) OR { 1657} (( segid " " and resid 154 and name HA )) (( segid " " and resid 155 and name HG1 )) OR { 1657} (( segid " " and resid 54 and name HA )) (( segid " " and resid 55 and name HG1 )) ASSI { 1659} (( segid " " and resid 165 and name HA )) (( segid " " and resid 168 and name HB )) 2.300 2.300 3.700 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.68995E-02 ppm1 3.915 ppm2 1.920 CV 1 OR { 1659} (( segid " " and resid 65 and name HA )) (( segid " " and resid 68 and name HB )) ASSI { 1666} ( segid " " and resid 151 and name HB% ) (( segid " " and resid 155 and name HG1 )) 2.900 1.000 1.000 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.25770E-02 ppm1 1.540 ppm2 1.907 CV 1 OR { 1666} ( segid " " and resid 51 and name HB% ) (( segid " " and resid 55 and name HG1 )) OR { 1666} ( segid " " and resid 154 and name HB% ) (( segid " " and resid 155 and name HG1 )) OR { 1666} ( segid " " and resid 54 and name HB% ) (( segid " " and resid 55 and name HG1 )) OR { 1666} ( segid " " and resid 154 and name HB% ) (( segid " " and resid 155 and name HG2 )) OR { 1666} ( segid " " and resid 54 and name HB% ) (( segid " " and resid 55 and name HG2 )) OR { 1666} ( segid " " and resid 151 and name HB% ) (( segid " " and resid 148 and name HB1 )) OR { 1666} ( segid " " and resid 151 and name HB% ) (( segid " " and resid 155 and name HG2 )) OR { 1666} ( segid " " and resid 51 and name HB% ) (( segid " " and resid 55 and name HG2 )) ASSI { 1668} ( segid " " and resid 168 and name HG2%) (( segid " " and resid 168 and name HB )) 2.000 0.500 0.500 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.13163E-01 ppm1 0.614 ppm2 1.921 CV 1 OR { 1668} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HB )) OR { 1668} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 167 and name HB1 )) ASSI { 1670} (( segid " " and resid 153 and name HA )) ( segid " " and resid 152 and name HB% ) 2.600 2.600 3.400 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.59951E-02 ppm1 3.977 ppm2 1.854 CV 1 OR { 1670} (( segid " " and resid 53 and name HA )) ( segid " " and resid 52 and name HB% ) ASSI { 1685} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 67 and name HB2 )) 3.300 3.300 2.700 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.30950E-02 ppm1 0.955 ppm2 1.878 CV 1 OR { 1685} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 167 and name HB2 )) OR { 1685} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 67 and name HB1 )) OR { 1685} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 167 and name HB2 )) OR { 1685} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 167 and name HB1 )) ASSI { 1690} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB1 )) 2.300 0.700 0.700 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.50382E-02 ppm1 4.593 ppm2 1.827 CV 1 OR { 1690} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HB1 )) OR { 1690} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB2 )) OR { 1690} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HB2 )) ASSI { 1691} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HB2 )) 3.900 1.900 1.900 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.77389E-03 ppm1 4.531 ppm2 1.815 CV 1 OR { 1691} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HB2 )) OR { 1691} (( segid " " and resid 35 and name HA )) (( segid " " and resid 36 and name HB1 )) OR { 1691} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HB1 )) ASSI { 1696} (( segid " " and resid 152 and name HA )) ( segid " " and resid 152 and name HB% ) 1.800 0.400 0.400 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.20494E-01 ppm1 4.309 ppm2 1.834 CV 1 OR { 1696} (( segid " " and resid 52 and name HA )) ( segid " " and resid 52 and name HB% ) ASSI { 1698} (( segid " " and resid 171 and name HA )) (( segid " " and resid 174 and name HB2 )) 2.700 0.900 0.900 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.24512E-02 ppm1 4.196 ppm2 1.809 CV 1 OR { 1698} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HB2 )) ASSI { 1700} (( segid " " and resid 76 and name HA )) ( segid " " and resid 152 and name HB% ) 2.400 2.400 3.600 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.91912E-02 ppm1 3.889 ppm2 1.817 CV 1 OR { 1700} (( segid " " and resid 176 and name HA )) ( segid " " and resid 52 and name HB% ) ASSI { 1702} (( segid " " and resid 119 and name HD1 )) (( segid " " and resid 119 and name HB2 )) 2.000 0.500 0.500 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.14838E-01 ppm1 3.196 ppm2 1.811 CV 1 OR { 1702} (( segid " " and resid 19 and name HD1 )) (( segid " " and resid 19 and name HB1 )) OR { 1702} (( segid " " and resid 119 and name HD2 )) (( segid " " and resid 119 and name HB2 )) OR { 1702} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 36 and name HB1 )) OR { 1702} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 136 and name HB1 )) OR { 1702} (( segid " " and resid 19 and name HD2 )) (( segid " " and resid 19 and name HB1 )) ASSI { 1704} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 36 and name HB1 )) 2.600 0.800 0.800 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.37592E-02 ppm1 3.094 ppm2 1.823 CV 1 OR { 1704} (( segid " " and resid 136 and name HD2 )) (( segid " " and resid 136 and name HB1 )) OR { 1704} (( segid " " and resid 136 and name HD2 )) (( segid " " and resid 136 and name HB2 )) OR { 1704} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 36 and name HB2 )) ASSI { 1705} (( segid " " and resid 145 and name HE2 )) (( segid " " and resid 145 and name HD1 )) 2.100 0.500 0.500 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.96754E-02 ppm1 2.880 ppm2 1.823 CV 1 OR { 1705} (( segid " " and resid 45 and name HE1 )) (( segid " " and resid 45 and name HD1 )) OR { 1705} (( segid " " and resid 145 and name HE2 )) (( segid " " and resid 145 and name HD2 )) OR { 1705} (( segid " " and resid 45 and name HE1 )) (( segid " " and resid 45 and name HD2 )) ASSI { 1708} (( segid " " and resid 137 and name HB )) (( segid " " and resid 39 and name HB )) 2.800 1.000 1.000 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.20521E-02 ppm1 2.220 ppm2 1.812 CV 1 OR { 1708} (( segid " " and resid 37 and name HB )) (( segid " " and resid 139 and name HB )) OR { 1708} (( segid " " and resid 37 and name HB )) (( segid " " and resid 36 and name HB2 )) OR { 1708} (( segid " " and resid 37 and name HB )) (( segid " " and resid 36 and name HB1 )) ASSI { 1716} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 145 and name HD2 )) 2.100 2.100 3.900 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.17165E-01 ppm1 1.059 ppm2 1.822 CV 1 OR { 1716} ( segid " " and resid 72 and name HD2%) ( segid " " and resid 152 and name HB% ) OR { 1716} ( segid " " and resid 172 and name HD2%) ( segid " " and resid 52 and name HB% ) OR { 1716} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 145 and name HD1 )) ASSI { 1717} ( segid " " and resid 137 and name HG1%) (( segid " " and resid 39 and name HB )) 3.100 1.200 1.200 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.37014E-02 ppm1 0.825 ppm2 1.814 CV 1 OR { 1717} ( segid " " and resid 37 and name HG1%) (( segid " " and resid 139 and name HB )) OR { 1717} ( segid " " and resid 137 and name HG1%) (( segid " " and resid 139 and name HB )) OR { 1717} ( segid " " and resid 37 and name HG1%) (( segid " " and resid 39 and name HB )) ASSI { 1719} ( segid " " and resid 139 and name HG1%) (( segid " " and resid 139 and name HB )) 1.800 1.800 4.200 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.15457E-01 ppm1 0.774 ppm2 1.805 CV 1 OR { 1719} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 39 and name HB )) ASSI { 1720} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 36 and name HB2 )) 3.600 1.600 1.600 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.81133E-03 ppm1 0.658 ppm2 1.810 CV 1 OR { 1720} ( segid " " and resid 137 and name HG2%) (( segid " " and resid 39 and name HB )) OR { 1720} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 139 and name HB )) OR { 1720} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 36 and name HB1 )) OR { 1720} ( segid " " and resid 137 and name HG2%) (( segid " " and resid 139 and name HB )) OR { 1720} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 39 and name HB )) ASSI { 1722} ( segid " " and resid 139 and name HG2%) (( segid " " and resid 139 and name HB )) 1.900 1.900 4.100 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.11985E-01 ppm1 0.474 ppm2 1.806 CV 1 OR { 1722} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 39 and name HB )) ASSI { 1728} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB1 )) 1.800 0.400 0.400 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.33957E-01 ppm1 4.305 ppm2 1.779 CV 1 OR { 1728} (( segid " " and resid 123 and name HA )) (( segid " " and resid 123 and name HB1 )) OR { 1728} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB2 )) OR { 1728} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB2 )) OR { 1728} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB2 )) OR { 1728} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB1 )) OR { 1728} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB1 )) ASSI { 1732} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB2 )) 2.100 0.500 0.500 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.17232E-01 ppm1 4.256 ppm2 1.793 CV 1 OR { 1732} (( segid " " and resid 174 and name HA )) (( segid " " and resid 174 and name HB2 )) OR { 1732} (( segid " " and resid 22 and name HA )) (( segid " " and resid 23 and name HB2 )) ASSI { 1733} (( segid " " and resid 51 and name HA )) ( segid " " and resid 52 and name HB% ) 6.000 4.500 0.000 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.80851E-04 ppm1 4.236 ppm2 1.789 CV 1 OR { 1733} (( segid " " and resid 151 and name HA )) ( segid " " and resid 152 and name HB% ) ASSI { 1734} (( segid " " and resid 66 and name HA )) (( segid " " and resid 73 and name HD2 )) 2.200 2.200 3.800 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.14731E-01 ppm1 4.167 ppm2 1.774 CV 1 OR { 1734} (( segid " " and resid 166 and name HA )) (( segid " " and resid 173 and name HD2 )) OR { 1734} (( segid " " and resid 66 and name HA )) (( segid " " and resid 73 and name HD1 )) OR { 1734} (( segid " " and resid 166 and name HA )) (( segid " " and resid 173 and name HD1 )) OR { 1734} (( segid " " and resid 166 and name HA )) (( segid " " and resid 174 and name HB2 )) OR { 1734} (( segid " " and resid 66 and name HA )) (( segid " " and resid 139 and name HB )) OR { 1734} (( segid " " and resid 48 and name HA )) (( segid " " and resid 173 and name HD2 )) ASSI { 1739} (( segid " " and resid 61 and name HA )) (( segid " " and resid 139 and name HB )) 5.800 4.100 0.200 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.12899E-03 ppm1 3.838 ppm2 1.776 CV 1 OR { 1739} (( segid " " and resid 161 and name HA )) (( segid " " and resid 39 and name HB )) ASSI { 1740} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 73 and name HD2 )) 2.000 2.000 4.000 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.18448E-01 ppm1 3.150 ppm2 1.763 CV 1 OR { 1740} (( segid " " and resid 45 and name HE2 )) (( segid " " and resid 173 and name HD2 )) OR { 1740} (( segid " " and resid 45 and name HE2 )) (( segid " " and resid 173 and name HD1 )) ASSI { 1746} (( segid " " and resid 143 and name HG1 )) (( segid " " and resid 33 and name HB1 )) 2.200 2.200 3.800 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.14106E-01 ppm1 2.305 ppm2 1.785 CV 1 OR { 1746} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 133 and name HB1 )) OR { 1746} (( segid " " and resid 143 and name HG1 )) (( segid " " and resid 33 and name HB2 )) OR { 1746} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 33 and name HB1 )) OR { 1746} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 133 and name HB2 )) OR { 1746} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 133 and name HB1 )) OR { 1746} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 133 and name HB2 )) ASSI { 1752} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 33 and name HB2 )) 3.600 1.600 1.600 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.88438E-03 ppm1 2.086 ppm2 1.791 CV 1 OR { 1752} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 133 and name HB2 )) OR { 1752} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 33 and name HB2 )) OR { 1752} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 133 and name HB2 )) ASSI { 1753} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 12 and name HB1 )) 3.200 1.200 1.200 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.23582E-03 ppm1 2.001 ppm2 1.767 CV 1 OR { 1753} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 112 and name HB1 )) OR { 1753} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 12 and name HB2 )) OR { 1753} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 112 and name HB2 )) OR { 1753} (( segid " " and resid 13 and name HB2 )) (( segid " " and resid 11 and name HB1 )) OR { 1753} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 12 and name HB1 )) OR { 1753} (( segid " " and resid 113 and name HB1 )) (( segid " " and resid 112 and name HB1 )) OR { 1753} (( segid " " and resid 13 and name HB1 )) (( segid " " and resid 12 and name HB2 )) OR { 1753} (( segid " " and resid 113 and name HB1 )) (( segid " " and resid 112 and name HB2 )) ASSI { 1755} (( segid " " and resid 72 and name HG )) ( segid " " and resid 152 and name HB% ) 2.200 2.200 3.800 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.15531E-01 ppm1 1.977 ppm2 1.786 CV 1 OR { 1755} (( segid " " and resid 172 and name HG )) ( segid " " and resid 52 and name HB% ) OR { 1755} (( segid " " and resid 172 and name HG )) (( segid " " and resid 45 and name HD2 )) OR { 1755} (( segid " " and resid 172 and name HG )) (( segid " " and resid 45 and name HD1 )) OR { 1755} (( segid " " and resid 72 and name HG )) (( segid " " and resid 145 and name HD2 )) OR { 1755} (( segid " " and resid 72 and name HG )) (( segid " " and resid 145 and name HD1 )) ASSI { 1756} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HD1 )) 2.700 0.900 0.900 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.25364E-02 ppm1 1.949 ppm2 1.773 CV 1 OR { 1756} (( segid " " and resid 173 and name HB2 )) (( segid " " and resid 173 and name HD1 )) OR { 1756} (( segid " " and resid 173 and name HB1 )) (( segid " " and resid 173 and name HD1 )) OR { 1756} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HD1 )) OR { 1756} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HD2 )) OR { 1756} (( segid " " and resid 173 and name HB2 )) (( segid " " and resid 173 and name HD2 )) OR { 1756} (( segid " " and resid 173 and name HB1 )) (( segid " " and resid 173 and name HD2 )) ASSI { 1757} (( segid " " and resid 148 and name HB1 )) ( segid " " and resid 152 and name HB% ) 1.600 1.600 4.400 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.75927E-01 ppm1 1.941 ppm2 1.795 CV 1 OR { 1757} (( segid " " and resid 68 and name HB )) (( segid " " and resid 145 and name HD1 )) OR { 1757} (( segid " " and resid 168 and name HB )) (( segid " " and resid 45 and name HD1 )) OR { 1757} (( segid " " and resid 48 and name HB2 )) ( segid " " and resid 52 and name HB% ) OR { 1757} (( segid " " and resid 68 and name HB )) (( segid " " and resid 145 and name HD2 )) OR { 1757} (( segid " " and resid 168 and name HB )) (( segid " " and resid 45 and name HD2 )) ASSI { 1763} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HB1 )) 1.700 0.400 0.500 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.33972E-01 ppm1 1.413 ppm2 1.761 CV 1 OR { 1763} (( segid " " and resid 112 and name HG2 )) (( segid " " and resid 112 and name HB1 )) OR { 1763} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HB1 )) OR { 1763} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HB2 )) OR { 1763} (( segid " " and resid 112 and name HG2 )) (( segid " " and resid 112 and name HB2 )) ASSI { 1766} (( segid " " and resid 134 and name HG11)) (( segid " " and resid 134 and name HB )) 2.400 0.700 0.700 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.59484E-02 ppm1 1.213 ppm2 1.759 CV 1 OR { 1766} (( segid " " and resid 34 and name HG12)) (( segid " " and resid 34 and name HB )) ASSI { 1768} (( segid " " and resid 170 and name HA )) (( segid " " and resid 174 and name HB2 )) 2.400 2.400 3.600 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.49774E-02 ppm1 4.494 ppm2 1.735 CV 1 OR { 1768} (( segid " " and resid 70 and name HA )) (( segid " " and resid 74 and name HB2 )) OR { 1768} (( segid " " and resid 70 and name HA )) (( segid " " and resid 73 and name HD1 )) OR { 1768} (( segid " " and resid 170 and name HA )) (( segid " " and resid 173 and name HD1 )) OR { 1768} (( segid " " and resid 70 and name HA )) (( segid " " and resid 73 and name HD2 )) ASSI { 1769} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HG2 )) 1.900 0.400 0.400 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.22417E-01 ppm1 4.431 ppm2 1.731 CV 1 OR { 1769} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HG2 )) OR { 1769} (( segid " " and resid 156 and name HA )) (( segid " " and resid 156 and name HG1 )) OR { 1769} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HG1 )) ASSI { 1773} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HB2 )) 6.000 5.700 0.000 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.20492E-04 ppm1 4.121 ppm2 1.736 CV 1 OR { 1773} (( segid " " and resid 24 and name HA )) (( segid " " and resid 23 and name HB1 )) OR { 1773} (( segid " " and resid 124 and name HA )) (( segid " " and resid 123 and name HB1 )) OR { 1773} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HB1 )) OR { 1773} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HD1 )) OR { 1773} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HD1 )) OR { 1773} (( segid " " and resid 110 and name HA )) (( segid " " and resid 111 and name HD2 )) OR { 1773} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HD2 )) ASSI { 1779} (( segid " " and resid 33 and name HE1 )) (( segid " " and resid 33 and name HD2 )) 1.600 0.300 0.600 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.56325E-01 ppm1 3.016 ppm2 1.721 CV 1 OR { 1779} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 133 and name HD2 )) OR { 1779} (( segid " " and resid 111 and name HE2 )) (( segid " " and resid 111 and name HD1 )) OR { 1779} (( segid " " and resid 11 and name HE2 )) (( segid " " and resid 11 and name HD1 )) OR { 1779} (( segid " " and resid 111 and name HE1 )) (( segid " " and resid 111 and name HD2 )) OR { 1779} (( segid " " and resid 11 and name HE1 )) (( segid " " and resid 11 and name HD2 )) OR { 1779} (( segid " " and resid 112 and name HE1 )) (( segid " " and resid 112 and name HD2 )) OR { 1779} (( segid " " and resid 12 and name HE1 )) (( segid " " and resid 12 and name HD2 )) OR { 1779} (( segid " " and resid 112 and name HE2 )) (( segid " " and resid 112 and name HD1 )) OR { 1779} (( segid " " and resid 12 and name HE2 )) (( segid " " and resid 12 and name HD1 )) OR { 1779} (( segid " " and resid 133 and name HE2 )) (( segid " " and resid 133 and name HD1 )) OR { 1779} (( segid " " and resid 112 and name HE2 )) (( segid " " and resid 112 and name HD2 )) OR { 1779} (( segid " " and resid 12 and name HE2 )) (( segid " " and resid 12 and name HD2 )) OR { 1779} (( segid " " and resid 12 and name HE1 )) (( segid " " and resid 12 and name HD1 )) OR { 1779} (( segid " " and resid 112 and name HE1 )) (( segid " " and resid 112 and name HD1 )) OR { 1779} (( segid " " and resid 33 and name HE2 )) (( segid " " and resid 33 and name HD2 )) OR { 1779} (( segid " " and resid 133 and name HE2 )) (( segid " " and resid 133 and name HD2 )) OR { 1779} (( segid " " and resid 33 and name HE1 )) (( segid " " and resid 33 and name HD1 )) OR { 1779} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 133 and name HD1 )) OR { 1779} (( segid " " and resid 111 and name HE2 )) (( segid " " and resid 111 and name HD2 )) OR { 1779} (( segid " " and resid 11 and name HE2 )) (( segid " " and resid 11 and name HD2 )) OR { 1779} (( segid " " and resid 111 and name HE1 )) (( segid " " and resid 111 and name HD1 )) OR { 1779} (( segid " " and resid 11 and name HE1 )) (( segid " " and resid 11 and name HD1 )) ASSI { 1780} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HG1 )) 1.900 0.500 0.500 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.14676E-01 ppm1 2.267 ppm2 1.716 CV 1 OR { 1780} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 156 and name HG1 )) OR { 1780} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HG2 )) OR { 1780} (( segid " " and resid 156 and name HB1 )) (( segid " " and resid 156 and name HG2 )) ASSI { 1781} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 23 and name HB2 )) 4.600 2.600 1.400 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.25860E-03 ppm1 2.049 ppm2 1.729 CV 1 OR { 1781} (( segid " " and resid 122 and name HB1 )) (( segid " " and resid 123 and name HB2 )) OR { 1781} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 23 and name HB1 )) OR { 1781} (( segid " " and resid 122 and name HB1 )) (( segid " " and resid 123 and name HB1 )) ASSI { 1783} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 73 and name HD2 )) 2.000 2.000 4.000 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.20881E-01 ppm1 1.998 ppm2 1.733 CV 1 OR { 1783} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 173 and name HD2 )) OR { 1783} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 73 and name HD2 )) OR { 1783} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 173 and name HD2 )) OR { 1783} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 134 and name HB )) OR { 1783} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 173 and name HD1 )) OR { 1783} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 173 and name HD1 )) OR { 1783} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 134 and name HB )) ASSI { 1784} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 105 and name HB2 )) 6.000 4.800 0.000 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.41694E-04 ppm1 1.945 ppm2 1.721 CV 1 OR { 1784} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 5 and name HB2 )) OR { 1784} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 105 and name HB2 )) OR { 1784} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 5 and name HB2 )) OR { 1784} (( segid " " and resid 104 and name HB1 )) (( segid " " and resid 105 and name HB1 )) OR { 1784} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 5 and name HB1 )) OR { 1784} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 5 and name HB1 )) OR { 1784} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 105 and name HB1 )) OR { 1784} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 23 and name HB2 )) OR { 1784} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 123 and name HB2 )) ASSI { 1788} (( segid " " and resid 34 and name HG11)) (( segid " " and resid 34 and name HB )) 2.300 0.600 0.600 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.72956E-02 ppm1 1.420 ppm2 1.749 CV 1 OR { 1788} (( segid " " and resid 134 and name HG12)) (( segid " " and resid 134 and name HB )) ASSI { 1793} ( segid " " and resid 158 and name HG2%) (( segid " " and resid 156 and name HG1 )) 2.800 2.800 3.200 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.52485E-02 ppm1 1.184 ppm2 1.723 CV 1 OR { 1793} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 56 and name HG1 )) OR { 1793} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 56 and name HG2 )) ASSI { 1795} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 34 and name HB )) 2.300 0.600 0.600 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.68933E-02 ppm1 0.736 ppm2 1.753 CV 1 OR { 1795} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 134 and name HB )) ASSI { 1797} ( segid " " and resid 134 and name HG2%) (( segid " " and resid 134 and name HB )) 1.900 0.400 0.400 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.17561E-01 ppm1 0.716 ppm2 1.752 CV 1 OR { 1797} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 34 and name HB )) ASSI { 1800} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HG1 )) 2.500 0.800 0.800 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.70892E-02 ppm1 4.049 ppm2 1.690 CV 1 OR { 1800} (( segid " " and resid 173 and name HA )) (( segid " " and resid 173 and name HG1 )) ASSI { 1808} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 150 and name HB2 )) 4.400 2.400 1.600 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.32245E-03 ppm1 2.976 ppm2 1.688 CV 1 OR { 1808} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 50 and name HB2 )) OR { 1808} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 148 and name HG1 )) ASSI { 1825} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HG2 )) 2.000 0.500 0.500 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.15910E-01 ppm1 4.147 ppm2 1.657 CV 1 OR { 1825} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HG1 )) ASSI { 1826} (( segid " " and resid 61 and name HB )) (( segid " " and resid 60 and name HB )) 4.900 3.000 1.100 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.34092E-03 ppm1 4.085 ppm2 1.642 CV 1 OR { 1826} (( segid " " and resid 161 and name HB )) (( segid " " and resid 160 and name HB )) OR { 1826} (( segid " " and resid 161 and name HB )) (( segid " " and resid 163 and name HB )) ASSI { 1827} (( segid " " and resid 161 and name HA )) (( segid " " and resid 163 and name HB )) 4.300 2.300 1.700 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.42155E-03 ppm1 3.842 ppm2 1.638 CV 1 OR { 1827} (( segid " " and resid 61 and name HA )) (( segid " " and resid 63 and name HB )) OR { 1827} (( segid " " and resid 61 and name HA )) (( segid " " and resid 60 and name HB )) OR { 1827} (( segid " " and resid 161 and name HA )) (( segid " " and resid 160 and name HB )) ASSI { 1828} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HB2 )) 2.300 0.700 0.700 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.48979E-02 ppm1 3.653 ppm2 1.634 CV 1 OR { 1828} (( segid " " and resid 147 and name HA )) (( segid " " and resid 150 and name HB2 )) ASSI { 1830} (( segid " " and resid 163 and name HA )) (( segid " " and resid 163 and name HB )) 2.600 0.800 0.800 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.31500E-02 ppm1 3.520 ppm2 1.655 CV 1 OR { 1830} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB )) ASSI { 1831} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HB2 )) 2.600 0.900 0.900 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.48336E-02 ppm1 3.449 ppm2 1.649 CV 1 OR { 1831} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HB2 )) ASSI { 1834} (( segid " " and resid 48 and name HD2 )) (( segid " " and resid 48 and name HG2 )) 2.300 0.700 0.700 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.80983E-02 ppm1 3.264 ppm2 1.659 CV 1 OR { 1834} (( segid " " and resid 148 and name HD1 )) (( segid " " and resid 148 and name HG1 )) ASSI { 1835} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB )) 2.300 0.600 0.600 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.53042E-02 ppm1 3.147 ppm2 1.642 CV 1 OR { 1835} (( segid " " and resid 160 and name HA )) (( segid " " and resid 160 and name HB )) OR { 1835} (( segid " " and resid 60 and name HA )) (( segid " " and resid 63 and name HB )) ASSI { 1836} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 156 and name HG2 )) 2.200 2.200 3.800 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.79750E-02 ppm1 2.120 ppm2 1.658 CV 1 OR { 1836} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 56 and name HG2 )) OR { 1836} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 56 and name HG1 )) OR { 1836} (( segid " " and resid 155 and name HB1 )) (( segid " " and resid 156 and name HG1 )) OR { 1836} (( segid " " and resid 164 and name HB )) (( segid " " and resid 163 and name HB )) ASSI { 1839} (( segid " " and resid 48 and name HG1 )) (( segid " " and resid 48 and name HG2 )) 1.500 0.300 0.700 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.22421E-01 ppm1 1.919 ppm2 1.657 CV 1 OR { 1839} (( segid " " and resid 148 and name HG2 )) (( segid " " and resid 148 and name HG1 )) ASSI { 1847} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 50 and name HB2 )) 1.500 0.300 0.700 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.18381E-01 ppm1 1.398 ppm2 1.643 CV 1 OR { 1847} (( segid " " and resid 150 and name HB1 )) (( segid " " and resid 150 and name HB2 )) ASSI { 1861} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 63 and name HB )) 2.000 0.500 0.500 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.10823E-01 ppm1 0.837 ppm2 1.653 CV 1 OR { 1861} ( segid " " and resid 163 and name HG1%) (( segid " " and resid 163 and name HB )) ASSI { 1863} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HB )) 2.300 0.700 0.700 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.46125E-02 ppm1 0.630 ppm2 1.638 CV 1 OR { 1863} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 160 and name HB )) ASSI { 1865} ( segid " " and resid 163 and name HG2%) (( segid " " and resid 163 and name HB )) 2.100 0.600 0.600 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.76561E-02 ppm1 -0.196 ppm2 1.648 CV 1 OR { 1865} ( segid " " and resid 63 and name HG1%) (( segid " " and resid 63 and name HB )) ASSI { 1866} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG2 )) 2.200 0.600 0.600 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.10599E-01 ppm1 4.593 ppm2 1.623 CV 1 OR { 1866} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HG2 )) OR { 1866} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HG1 )) OR { 1866} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG1 )) ASSI { 1867} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HG1 )) 2.100 0.600 0.600 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.93544E-02 ppm1 4.339 ppm2 1.612 CV 1 OR { 1867} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HG1 )) OR { 1867} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HG2 )) OR { 1867} (( segid " " and resid 119 and name HA )) (( segid " " and resid 119 and name HG2 )) ASSI { 1868} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB1 )) 1.800 0.400 0.400 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.28688E-01 ppm1 4.279 ppm2 1.626 CV 1 OR { 1868} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HB1 )) OR { 1868} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HB2 )) OR { 1868} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HB2 )) ASSI { 1869} (( segid " " and resid 67 and name HA )) (( segid " " and resid 63 and name HB )) 3.200 3.200 2.800 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.49542E-02 ppm1 4.173 ppm2 1.604 CV 1 OR { 1869} (( segid " " and resid 167 and name HA )) (( segid " " and resid 163 and name HB )) OR { 1869} (( segid " " and resid 167 and name HA )) (( segid " " and resid 72 and name HB2 )) OR { 1869} (( segid " " and resid 67 and name HA )) (( segid " " and resid 172 and name HB2 )) ASSI { 1872} (( segid " " and resid 19 and name HD2 )) (( segid " " and resid 19 and name HG1 )) 1.700 0.400 0.500 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.30851E-01 ppm1 3.183 ppm2 1.608 CV 1 OR { 1872} (( segid " " and resid 119 and name HD2 )) (( segid " " and resid 119 and name HG1 )) OR { 1872} (( segid " " and resid 23 and name HD1 )) (( segid " " and resid 23 and name HG2 )) OR { 1872} (( segid " " and resid 123 and name HD1 )) (( segid " " and resid 123 and name HG2 )) OR { 1872} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 36 and name HG2 )) OR { 1872} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 136 and name HG2 )) OR { 1872} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 23 and name HG1 )) OR { 1872} (( segid " " and resid 123 and name HD2 )) (( segid " " and resid 123 and name HG1 )) OR { 1872} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 136 and name HG1 )) OR { 1872} (( segid " " and resid 36 and name HD1 )) (( segid " " and resid 36 and name HG1 )) OR { 1872} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 23 and name HG2 )) OR { 1872} (( segid " " and resid 123 and name HD2 )) (( segid " " and resid 123 and name HG2 )) OR { 1872} (( segid " " and resid 23 and name HD1 )) (( segid " " and resid 23 and name HG1 )) OR { 1872} (( segid " " and resid 123 and name HD1 )) (( segid " " and resid 123 and name HG1 )) OR { 1872} (( segid " " and resid 19 and name HD1 )) (( segid " " and resid 19 and name HG1 )) OR { 1872} (( segid " " and resid 119 and name HD1 )) (( segid " " and resid 119 and name HG1 )) ASSI { 1875} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 36 and name HG1 )) 2.000 0.500 0.500 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.15893E-01 ppm1 3.093 ppm2 1.613 CV 1 OR { 1875} (( segid " " and resid 136 and name HD2 )) (( segid " " and resid 136 and name HG1 )) OR { 1875} (( segid " " and resid 136 and name HD2 )) (( segid " " and resid 136 and name HG2 )) OR { 1875} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 36 and name HG2 )) ASSI { 1877} (( segid " " and resid 167 and name HB1 )) (( segid " " and resid 72 and name HB2 )) 3.000 3.000 3.000 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.57520E-02 ppm1 1.917 ppm2 1.597 CV 1 OR { 1877} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 172 and name HB2 )) OR { 1877} (( segid " " and resid 167 and name HB2 )) (( segid " " and resid 72 and name HB2 )) OR { 1877} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 172 and name HB2 )) ASSI { 1879} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HG2 )) 1.500 0.300 0.700 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.79536E-01 ppm1 1.836 ppm2 1.614 CV 1 OR { 1879} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HG1 )) OR { 1879} (( segid " " and resid 119 and name HB2 )) (( segid " " and resid 119 and name HG2 )) OR { 1879} (( segid " " and resid 19 and name HB1 )) (( segid " " and resid 19 and name HG1 )) ASSI { 1887} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 172 and name HB2 )) 2.500 2.500 3.500 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.80977E-02 ppm1 1.079 ppm2 1.600 CV 1 OR { 1887} ( segid " " and resid 167 and name HD1%) (( segid " " and resid 72 and name HB2 )) ASSI { 1888} ( segid " " and resid 121 and name HD2%) (( segid " " and resid 121 and name HB1 )) 3.000 1.100 1.100 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.18143E-02 ppm1 0.920 ppm2 1.629 CV 1 OR { 1888} ( segid " " and resid 21 and name HD2%) (( segid " " and resid 21 and name HB1 )) OR { 1888} ( segid " " and resid 121 and name HD2%) (( segid " " and resid 121 and name HB2 )) OR { 1888} ( segid " " and resid 21 and name HD2%) (( segid " " and resid 21 and name HB2 )) ASSI { 1890} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 21 and name HB2 )) 2.500 0.800 0.800 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.49366E-02 ppm1 0.864 ppm2 1.627 CV 1 OR { 1890} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 121 and name HB2 )) OR { 1890} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 21 and name HB1 )) OR { 1890} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 121 and name HB1 )) ASSI { 1891} ( segid " " and resid 167 and name HD2%) (( segid " " and resid 163 and name HB )) 2.400 2.400 3.600 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.68164E-02 ppm1 0.566 ppm2 1.607 CV 1 OR { 1891} ( segid " " and resid 167 and name HD2%) (( segid " " and resid 72 and name HB2 )) OR { 1891} ( segid " " and resid 67 and name HD1%) (( segid " " and resid 63 and name HB )) ASSI { 1892} ( segid " " and resid 160 and name HD1%) (( segid " " and resid 160 and name HB )) 1.900 1.900 4.100 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.11914E-01 ppm1 0.514 ppm2 1.628 CV 1 OR { 1892} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HB )) ASSI { 1894} (( segid " " and resid 69 and name HA )) (( segid " " and resid 72 and name HB2 )) 3.900 1.900 1.900 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.41392E-03 ppm1 4.390 ppm2 1.582 CV 1 OR { 1894} (( segid " " and resid 169 and name HA )) (( segid " " and resid 172 and name HB2 )) ASSI { 1896} (( segid " " and resid 154 and name HA )) ( segid " " and resid 154 and name HB% ) 1.600 0.300 0.600 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.69623E-01 ppm1 4.228 ppm2 1.550 CV 1 OR { 1896} (( segid " " and resid 54 and name HA )) ( segid " " and resid 54 and name HB% ) OR { 1896} (( segid " " and resid 51 and name HA )) ( segid " " and resid 51 and name HB% ) OR { 1896} (( segid " " and resid 151 and name HA )) ( segid " " and resid 151 and name HB% ) ASSI { 1898} (( segid " " and resid 148 and name HA )) ( segid " " and resid 151 and name HB% ) 2.100 2.100 3.900 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.12758E-01 ppm1 4.166 ppm2 1.563 CV 1 OR { 1898} (( segid " " and resid 48 and name HA )) ( segid " " and resid 51 and name HB% ) ASSI { 1899} (( segid " " and resid 172 and name HA )) (( segid " " and resid 172 and name HB2 )) 2.200 0.600 0.600 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.53242E-02 ppm1 3.873 ppm2 1.579 CV 1 OR { 1899} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB2 )) ASSI { 1900} (( segid " " and resid 150 and name HE1 )) (( segid " " and resid 150 and name HD2 )) 2.100 0.600 0.600 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.87969E-02 ppm1 2.938 ppm2 1.548 CV 1 OR { 1900} (( segid " " and resid 50 and name HE1 )) (( segid " " and resid 50 and name HD2 )) OR { 1900} (( segid " " and resid 150 and name HE1 )) (( segid " " and resid 150 and name HD1 )) OR { 1900} (( segid " " and resid 50 and name HE1 )) (( segid " " and resid 50 and name HD1 )) ASSI { 1902} (( segid " " and resid 50 and name HE2 )) (( segid " " and resid 50 and name HD1 )) 1.900 0.500 0.500 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.17271E-01 ppm1 2.848 ppm2 1.546 CV 1 OR { 1902} (( segid " " and resid 150 and name HE2 )) (( segid " " and resid 150 and name HD1 )) OR { 1902} (( segid " " and resid 150 and name HE2 )) (( segid " " and resid 150 and name HD2 )) OR { 1902} (( segid " " and resid 50 and name HE2 )) (( segid " " and resid 50 and name HD2 )) ASSI { 1904} (( segid " " and resid 76 and name HG2 )) ( segid " " and resid 151 and name HB% ) 3.500 1.500 1.500 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.51771E-03 ppm1 2.299 ppm2 1.557 CV 1 OR { 1904} (( segid " " and resid 76 and name HG1 )) ( segid " " and resid 151 and name HB% ) OR { 1904} (( segid " " and resid 76 and name HG1 )) (( segid " " and resid 72 and name HB2 )) OR { 1904} (( segid " " and resid 76 and name HG2 )) (( segid " " and resid 72 and name HB2 )) ASSI { 1905} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HB2 )) 1.600 0.300 0.600 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.11829E-01 ppm1 2.087 ppm2 1.572 CV 1 OR { 1905} (( segid " " and resid 172 and name HB1 )) (( segid " " and resid 172 and name HB2 )) ASSI { 1911} ( segid " " and resid 172 and name HD2%) (( segid " " and resid 172 and name HB2 )) 2.500 0.800 0.800 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.82037E-02 ppm1 1.058 ppm2 1.570 CV 1 OR { 1911} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 72 and name HB2 )) ASSI { 1912} ( segid " " and resid 124 and name HG1%) (( segid " " and resid 123 and name HG2 )) 4.700 2.700 1.300 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.21805E-04 ppm1 0.935 ppm2 1.577 CV 1 OR { 1912} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 23 and name HG1 )) OR { 1912} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 23 and name HG2 )) OR { 1912} ( segid " " and resid 124 and name HG1%) (( segid " " and resid 123 and name HG1 )) ASSI { 1914} ( segid " " and resid 72 and name HD1%) (( segid " " and resid 72 and name HB2 )) 1.900 1.900 4.100 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.91800E-02 ppm1 0.877 ppm2 1.561 CV 1 OR { 1914} ( segid " " and resid 172 and name HD1%) (( segid " " and resid 172 and name HB2 )) ASSI { 1915} ( segid " " and resid 37 and name HG1%) (( segid " " and resid 150 and name HD2 )) 3.200 3.200 2.800 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.13630E-02 ppm1 0.828 ppm2 1.547 CV 1 OR { 1915} ( segid " " and resid 37 and name HG1%) (( segid " " and resid 150 and name HD1 )) OR { 1915} ( segid " " and resid 37 and name HG1%) (( segid " " and resid 35 and name HD1 )) OR { 1915} ( segid " " and resid 137 and name HG1%) (( segid " " and resid 172 and name HB2 )) OR { 1915} ( segid " " and resid 37 and name HG1%) (( segid " " and resid 72 and name HB2 )) ASSI { 1916} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 72 and name HB2 )) 3.700 1.700 1.700 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.33890E-03 ppm1 0.610 ppm2 1.584 CV 1 OR { 1916} ( segid " " and resid 168 and name HG2%) (( segid " " and resid 172 and name HB2 )) ASSI { 1920} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 35 and name HD1 )) 6.000 5.400 0.000 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.36946E-04 ppm1 2.965 ppm2 1.516 CV 1 OR { 1920} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 135 and name HD2 )) ASSI { 1926} ( segid " " and resid 47 and name HG2%) ( segid " " and resid 51 and name HB% ) 3.500 1.600 1.600 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.77351E-03 ppm1 1.292 ppm2 1.531 CV 1 OR { 1926} ( segid " " and resid 147 and name HG2%) ( segid " " and resid 151 and name HB% ) OR { 1926} ( segid " " and resid 147 and name HG2%) (( segid " " and resid 150 and name HD1 )) OR { 1926} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 50 and name HD1 )) ASSI { 1929} (( segid " " and resid 169 and name HA )) (( segid " " and resid 173 and name HG2 )) 6.000 6.000 0.000 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.20710E-04 ppm1 4.378 ppm2 1.483 CV 1 OR { 1929} (( segid " " and resid 69 and name HA )) (( segid " " and resid 73 and name HG2 )) ASSI { 1930} (( segid " " and resid 74 and name HA )) (( segid " " and resid 73 and name HG2 )) 4.800 2.900 1.200 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.19052E-04 ppm1 4.254 ppm2 1.474 CV 1 OR { 1930} (( segid " " and resid 174 and name HA )) (( segid " " and resid 173 and name HG2 )) ASSI { 1931} (( segid " " and resid 45 and name HA )) (( segid " " and resid 173 and name HG2 )) 2.600 2.600 3.400 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.64385E-02 ppm1 3.967 ppm2 1.485 CV 1 OR { 1931} (( segid " " and resid 45 and name HA )) (( segid " " and resid 135 and name HB2 )) OR { 1931} (( segid " " and resid 145 and name HA )) (( segid " " and resid 35 and name HB2 )) OR { 1931} (( segid " " and resid 45 and name HA )) (( segid " " and resid 135 and name HB1 )) ASSI { 1932} (( segid " " and resid 43 and name HA )) (( segid " " and resid 135 and name HB2 )) 3.100 1.200 1.200 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.39965E-02 ppm1 3.895 ppm2 1.482 CV 1 OR { 1932} (( segid " " and resid 143 and name HA )) (( segid " " and resid 35 and name HB2 )) OR { 1932} (( segid " " and resid 43 and name HA )) (( segid " " and resid 135 and name HB1 )) OR { 1932} (( segid " " and resid 143 and name HA )) (( segid " " and resid 35 and name HB1 )) ASSI { 1933} (( segid " " and resid 146 and name HB1 )) (( segid " " and resid 35 and name HB2 )) 5.300 3.500 0.700 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.20612E-03 ppm1 3.366 ppm2 1.476 CV 1 OR { 1933} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 135 and name HB2 )) OR { 1933} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 135 and name HB1 )) OR { 1933} (( segid " " and resid 146 and name HB1 )) (( segid " " and resid 35 and name HB1 )) ASSI { 1934} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 135 and name HB2 )) 3.000 1.100 1.100 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.10268E-02 ppm1 3.249 ppm2 1.480 CV 1 OR { 1934} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 35 and name HB2 )) OR { 1934} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 135 and name HB1 )) ASSI { 1935} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 145 and name HG2 )) 2.800 1.000 1.000 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.24023E-02 ppm1 3.169 ppm2 1.468 CV 1 OR { 1935} (( segid " " and resid 45 and name HE2 )) (( segid " " and resid 45 and name HG2 )) OR { 1935} (( segid " " and resid 145 and name HE1 )) (( segid " " and resid 145 and name HG1 )) OR { 1935} (( segid " " and resid 45 and name HE2 )) (( segid " " and resid 45 and name HG1 )) ASSI { 1936} (( segid " " and resid 111 and name HE1 )) (( segid " " and resid 111 and name HG1 )) 2.200 0.600 0.600 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.12141E-01 ppm1 3.019 ppm2 1.475 CV 1 OR { 1936} (( segid " " and resid 11 and name HE1 )) (( segid " " and resid 11 and name HG1 )) OR { 1936} (( segid " " and resid 112 and name HE1 )) (( segid " " and resid 112 and name HG1 )) OR { 1936} (( segid " " and resid 12 and name HE1 )) (( segid " " and resid 12 and name HG1 )) OR { 1936} (( segid " " and resid 111 and name HE2 )) (( segid " " and resid 111 and name HG1 )) OR { 1936} (( segid " " and resid 11 and name HE2 )) (( segid " " and resid 11 and name HG1 )) OR { 1936} (( segid " " and resid 112 and name HE2 )) (( segid " " and resid 112 and name HG1 )) ASSI { 1938} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 35 and name HB2 )) 3.700 1.700 1.700 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.72918E-03 ppm1 2.812 ppm2 1.467 CV 1 OR { 1938} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 45 and name HG1 )) OR { 1938} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 45 and name HG2 )) OR { 1938} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 35 and name HB1 )) OR { 1938} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 145 and name HG1 )) OR { 1938} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 145 and name HG2 )) ASSI { 1939} (( segid " " and resid 35 and name HE1 )) (( segid " " and resid 35 and name HB1 )) 2.000 0.500 0.500 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.18795E-01 ppm1 2.790 ppm2 1.487 CV 1 OR { 1939} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HB1 )) OR { 1939} (( segid " " and resid 35 and name HE2 )) (( segid " " and resid 35 and name HB1 )) OR { 1939} (( segid " " and resid 135 and name HE2 )) (( segid " " and resid 135 and name HB1 )) OR { 1939} (( segid " " and resid 135 and name HE1 )) (( segid " " and resid 135 and name HB2 )) OR { 1939} (( segid " " and resid 35 and name HE1 )) (( segid " " and resid 35 and name HB2 )) ASSI { 1941} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 135 and name HB2 )) 4.400 2.400 1.600 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.41524E-03 ppm1 2.735 ppm2 1.477 CV 1 OR { 1941} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 35 and name HB2 )) OR { 1941} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 135 and name HB1 )) OR { 1941} (( segid " " and resid 142 and name HB2 )) (( segid " " and resid 35 and name HB1 )) ASSI { 1942} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 35 and name HD2 )) 2.600 0.800 0.800 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.64770E-02 ppm1 2.283 ppm2 1.474 CV 1 OR { 1942} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 135 and name HD1 )) OR { 1942} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 135 and name HD1 )) OR { 1942} (( segid " " and resid 143 and name HG1 )) (( segid " " and resid 35 and name HD2 )) OR { 1942} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 135 and name HB2 )) OR { 1942} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 35 and name HB2 )) OR { 1942} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 135 and name HB1 )) OR { 1942} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 35 and name HB1 )) ASSI { 1945} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 33 and name HG2 )) 3.900 1.900 1.900 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.70128E-03 ppm1 2.098 ppm2 1.472 CV 1 OR { 1945} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 133 and name HG2 )) OR { 1945} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 33 and name HG1 )) OR { 1945} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 133 and name HG1 )) OR { 1945} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 33 and name HG2 )) OR { 1945} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 133 and name HG2 )) OR { 1945} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 135 and name HD1 )) OR { 1945} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 33 and name HG1 )) OR { 1945} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 35 and name HD2 )) OR { 1945} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 133 and name HG1 )) OR { 1945} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 135 and name HD1 )) OR { 1945} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 35 and name HD2 )) OR { 1945} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 135 and name HB2 )) ASSI { 1948} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 135 and name HB2 )) 2.600 2.600 3.400 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.13727E-01 ppm1 1.999 ppm2 1.490 CV 1 OR { 1948} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 35 and name HB2 )) OR { 1948} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 135 and name HB2 )) OR { 1948} (( segid " " and resid 145 and name HB1 )) (( segid " " and resid 35 and name HB2 )) OR { 1948} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 135 and name HB1 )) OR { 1948} (( segid " " and resid 145 and name HB2 )) (( segid " " and resid 35 and name HB1 )) OR { 1948} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 135 and name HB1 )) ASSI { 1950} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 45 and name HG1 )) 1.900 0.500 0.500 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.13517E-01 ppm1 1.827 ppm2 1.473 CV 1 OR { 1950} (( segid " " and resid 145 and name HD2 )) (( segid " " and resid 145 and name HG1 )) OR { 1950} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 45 and name HG2 )) OR { 1950} (( segid " " and resid 145 and name HD2 )) (( segid " " and resid 145 and name HG2 )) OR { 1950} (( segid " " and resid 145 and name HD1 )) (( segid " " and resid 145 and name HG1 )) OR { 1950} (( segid " " and resid 45 and name HD1 )) (( segid " " and resid 45 and name HG1 )) OR { 1950} (( segid " " and resid 145 and name HD1 )) (( segid " " and resid 145 and name HG2 )) ASSI { 1953} (( segid " " and resid 33 and name HD1 )) (( segid " " and resid 33 and name HG2 )) 1.900 0.400 0.400 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.19362E-01 ppm1 1.715 ppm2 1.461 CV 1 OR { 1953} (( segid " " and resid 133 and name HD1 )) (( segid " " and resid 133 and name HG2 )) OR { 1953} (( segid " " and resid 112 and name HD2 )) (( segid " " and resid 112 and name HG1 )) OR { 1953} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HG1 )) OR { 1953} (( segid " " and resid 111 and name HD2 )) (( segid " " and resid 111 and name HG1 )) OR { 1953} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HG1 )) OR { 1953} (( segid " " and resid 133 and name HD2 )) (( segid " " and resid 133 and name HG2 )) OR { 1953} (( segid " " and resid 33 and name HD1 )) (( segid " " and resid 33 and name HG1 )) OR { 1953} (( segid " " and resid 133 and name HD1 )) (( segid " " and resid 133 and name HG1 )) OR { 1953} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 11 and name HG1 )) OR { 1953} (( segid " " and resid 111 and name HD1 )) (( segid " " and resid 111 and name HG1 )) OR { 1953} (( segid " " and resid 112 and name HD1 )) (( segid " " and resid 112 and name HG1 )) OR { 1953} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HG1 )) ASSI { 1961} (( segid " " and resid 35 and name HG1 )) (( segid " " and resid 35 and name HB2 )) 1.700 0.400 0.500 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.16777E-01 ppm1 1.211 ppm2 1.476 CV 1 OR { 1961} (( segid " " and resid 135 and name HG1 )) (( segid " " and resid 135 and name HB2 )) OR { 1961} (( segid " " and resid 35 and name HG1 )) (( segid " " and resid 35 and name HB1 )) OR { 1961} (( segid " " and resid 135 and name HG1 )) (( segid " " and resid 135 and name HB1 )) ASSI { 1966} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 135 and name HD1 )) 1.900 0.500 0.500 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.15930E-01 ppm1 0.950 ppm2 1.473 CV 1 OR { 1966} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 35 and name HD2 )) OR { 1966} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 35 and name HB2 )) OR { 1966} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 135 and name HB2 )) OR { 1966} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 135 and name HB1 )) ASSI { 1968} ( segid " " and resid 137 and name HG1%) (( segid " " and resid 135 and name HB2 )) 3.800 1.800 1.800 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.93380E-03 ppm1 0.828 ppm2 1.486 CV 1 OR { 1968} ( segid " " and resid 37 and name HG1%) (( segid " " and resid 35 and name HB2 )) OR { 1968} ( segid " " and resid 137 and name HG1%) (( segid " " and resid 135 and name HB1 )) OR { 1968} ( segid " " and resid 37 and name HG1%) (( segid " " and resid 35 and name HB1 )) ASSI { 1969} ( segid " " and resid 137 and name HG2%) (( segid " " and resid 135 and name HB2 )) 2.300 2.300 3.700 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.60345E-02 ppm1 0.656 ppm2 1.480 CV 1 OR { 1969} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 35 and name HB2 )) OR { 1969} ( segid " " and resid 137 and name HG2%) (( segid " " and resid 135 and name HB1 )) OR { 1969} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 35 and name HB1 )) ASSI { 1970} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HG11)) 2.500 0.800 0.800 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.43318E-02 ppm1 4.505 ppm2 1.449 CV 1 OR { 1970} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HG12)) OR { 1970} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HB2 )) OR { 1970} (( segid " " and resid 134 and name HA )) (( segid " " and resid 135 and name HB2 )) ASSI { 1973} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HG1 )) 2.500 0.800 0.800 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.44668E-02 ppm1 4.311 ppm2 1.433 CV 1 OR { 1973} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG1 )) OR { 1973} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HG2 )) OR { 1973} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG2 )) ASSI { 1974} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HG1 )) 3.800 1.800 1.800 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.35208E-03 ppm1 4.277 ppm2 1.438 CV 1 OR { 1974} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG1 )) OR { 1974} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG2 )) OR { 1974} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HG2 )) ASSI { 1976} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 33 and name HG1 )) 6.000 5.200 0.000 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.19319E-04 ppm1 3.971 ppm2 1.452 CV 1 OR { 1976} (( segid " " and resid 131 and name HB1 )) (( segid " " and resid 133 and name HG1 )) OR { 1976} (( segid " " and resid 131 and name HB1 )) (( segid " " and resid 133 and name HG2 )) OR { 1976} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 33 and name HG2 )) ASSI { 1977} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 33 and name HG1 )) 4.100 2.100 1.900 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.31808E-03 ppm1 3.934 ppm2 1.439 CV 1 OR { 1977} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 133 and name HG1 )) OR { 1977} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 33 and name HG2 )) OR { 1977} (( segid " " and resid 131 and name HB2 )) (( segid " " and resid 133 and name HG2 )) OR { 1977} (( segid " " and resid 109 and name HB1 )) (( segid " " and resid 111 and name HG1 )) OR { 1977} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 34 and name HG11)) OR { 1977} (( segid " " and resid 109 and name HB1 )) (( segid " " and resid 111 and name HG2 )) OR { 1977} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HG1 )) OR { 1977} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 11 and name HG2 )) ASSI { 1981} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HG2 )) 1.900 0.500 0.500 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.18482E-01 ppm1 1.765 ppm2 1.429 CV 1 OR { 1981} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HG1 )) OR { 1981} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 133 and name HG2 )) OR { 1981} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HG2 )) OR { 1981} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HG1 )) OR { 1981} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HG1 )) OR { 1981} (( segid " " and resid 133 and name HB1 )) (( segid " " and resid 133 and name HG1 )) ASSI { 1991} (( segid " " and resid 34 and name HG12)) (( segid " " and resid 34 and name HG11)) 1.400 0.200 0.800 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.35907E-01 ppm1 1.212 ppm2 1.423 CV 1 OR { 1991} (( segid " " and resid 134 and name HG11)) (( segid " " and resid 134 and name HG12)) ASSI { 1997} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 134 and name HG12)) 2.100 0.500 0.500 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.11685E-01 ppm1 0.736 ppm2 1.427 CV 1 OR { 1997} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 34 and name HG11)) ASSI { 1999} ( segid " " and resid 134 and name HG2%) (( segid " " and resid 134 and name HG12)) 2.200 2.200 3.800 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.88336E-02 ppm1 0.716 ppm2 1.432 CV 1 OR { 1999} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 34 and name HG11)) ASSI { 2000} (( segid " " and resid 126 and name HA )) ( segid " " and resid 127 and name HB% ) 3.700 1.700 1.700 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.15166E-02 ppm1 4.323 ppm2 1.387 CV 1 OR { 2000} (( segid " " and resid 26 and name HA )) ( segid " " and resid 27 and name HB% ) ASSI { 2002} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HG1 )) 1.900 0.500 0.500 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.15661E-01 ppm1 1.814 ppm2 1.409 CV 1 OR { 2002} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HG1 )) OR { 2002} (( segid " " and resid 111 and name HB1 )) (( segid " " and resid 111 and name HG2 )) OR { 2002} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HG2 )) OR { 2002} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HG2 )) ASSI { 2023} (( segid " " and resid 144 and name HA )) ( segid " " and resid 147 and name HG2%) 3.100 3.100 2.900 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.34662E-02 ppm1 4.187 ppm2 1.296 CV 1 OR { 2023} (( segid " " and resid 44 and name HA )) ( segid " " and resid 47 and name HG2%) ASSI { 2024} (( segid " " and resid 47 and name HA )) ( segid " " and resid 47 and name HG2%) 2.100 0.500 0.500 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.14475E-01 ppm1 3.653 ppm2 1.294 CV 1 OR { 2024} (( segid " " and resid 147 and name HA )) ( segid " " and resid 147 and name HG2%) ASSI { 2025} ( segid " " and resid 51 and name HB% ) ( segid " " and resid 47 and name HG2%) 2.100 2.100 3.900 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.30912E-02 ppm1 1.543 ppm2 1.310 CV 1 OR { 2025} ( segid " " and resid 151 and name HB% ) ( segid " " and resid 147 and name HG2%) ASSI { 2030} (( segid " " and resid 62 and name HA )) ( segid " " and resid 61 and name HG2%) 3.300 3.300 2.700 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.13903E-02 ppm1 4.423 ppm2 1.262 CV 1 OR { 2030} (( segid " " and resid 162 and name HA )) ( segid " " and resid 161 and name HG2%) ASSI { 2031} (( segid " " and resid 148 and name HA )) ( segid " " and resid 147 and name HG2%) 2.800 1.000 1.000 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.33047E-02 ppm1 4.173 ppm2 1.286 CV 1 OR { 2031} (( segid " " and resid 48 and name HA )) ( segid " " and resid 47 and name HG2%) OR { 2031} (( segid " " and resid 144 and name HA )) ( segid " " and resid 147 and name HG2%) OR { 2031} (( segid " " and resid 44 and name HA )) ( segid " " and resid 47 and name HG2%) ASSI { 2033} (( segid " " and resid 59 and name HB1 )) ( segid " " and resid 61 and name HG2%) 6.000 4.500 0.000 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.81098E-04 ppm1 4.099 ppm2 1.271 CV 1 OR { 2033} (( segid " " and resid 159 and name HB1 )) ( segid " " and resid 161 and name HG2%) OR { 2033} (( segid " " and resid 59 and name HB2 )) ( segid " " and resid 61 and name HG2%) OR { 2033} (( segid " " and resid 159 and name HB2 )) ( segid " " and resid 161 and name HG2%) OR { 2033} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 60 and name HG12)) ASSI { 2036} (( segid " " and resid 139 and name HA )) ( segid " " and resid 61 and name HG2%) 3.300 1.400 1.400 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.64256E-03 ppm1 3.981 ppm2 1.271 CV 1 OR { 2036} (( segid " " and resid 39 and name HA )) ( segid " " and resid 161 and name HG2%) ASSI { 2038} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HG2 )) 2.200 0.600 0.600 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.10497E-01 ppm1 3.442 ppm2 1.273 CV 1 OR { 2038} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HG2 )) OR { 2038} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HG1 )) OR { 2038} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HG1 )) ASSI { 2039} (( segid " " and resid 160 and name HA )) (( segid " " and resid 160 and name HG12)) 2.800 1.000 1.000 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.50177E-02 ppm1 3.147 ppm2 1.264 CV 1 OR { 2039} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HG12)) ASSI { 2040} (( segid " " and resid 150 and name HE1 )) (( segid " " and resid 150 and name HG2 )) 2.500 0.800 0.800 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.55964E-02 ppm1 2.938 ppm2 1.268 CV 1 OR { 2040} (( segid " " and resid 50 and name HE1 )) (( segid " " and resid 50 and name HG2 )) OR { 2040} (( segid " " and resid 150 and name HE1 )) (( segid " " and resid 150 and name HG1 )) OR { 2040} (( segid " " and resid 50 and name HE1 )) (( segid " " and resid 50 and name HG1 )) ASSI { 2043} (( segid " " and resid 140 and name HB2 )) ( segid " " and resid 61 and name HG2%) 4.000 2.000 2.000 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.43879E-03 ppm1 2.575 ppm2 1.271 CV 1 OR { 2043} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 161 and name HG2%) ASSI { 2044} (( segid " " and resid 140 and name HB1 )) ( segid " " and resid 61 and name HG2%) 4.200 2.200 1.800 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.52954E-03 ppm1 2.337 ppm2 1.265 CV 1 OR { 2044} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 161 and name HG2%) ASSI { 2045} (( segid " " and resid 160 and name HB )) (( segid " " and resid 160 and name HG12)) 2.500 0.800 0.800 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.39330E-02 ppm1 1.636 ppm2 1.276 CV 1 OR { 2045} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HG12)) ASSI { 2047} (( segid " " and resid 150 and name HD2 )) (( segid " " and resid 150 and name HG2 )) 1.900 0.400 0.400 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.19023E-01 ppm1 1.561 ppm2 1.264 CV 1 OR { 2047} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HG2 )) OR { 2047} (( segid " " and resid 150 and name HD1 )) (( segid " " and resid 150 and name HG1 )) OR { 2047} (( segid " " and resid 50 and name HD1 )) (( segid " " and resid 50 and name HG1 )) OR { 2047} (( segid " " and resid 150 and name HD2 )) (( segid " " and resid 150 and name HG1 )) OR { 2047} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HG1 )) OR { 2047} (( segid " " and resid 150 and name HD1 )) (( segid " " and resid 150 and name HG2 )) ASSI { 2054} (( segid " " and resid 160 and name HG11)) (( segid " " and resid 160 and name HG12)) 1.800 0.400 0.400 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.44254E-02 ppm1 -0.252 ppm2 1.271 CV 1 OR { 2054} (( segid " " and resid 60 and name HG11)) (( segid " " and resid 60 and name HG12)) ASSI { 2055} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HG1 )) 3.500 1.500 1.500 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.15494E-02 ppm1 4.532 ppm2 1.214 CV 1 OR { 2055} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HG1 )) ASSI { 2056} (( segid " " and resid 134 and name HA )) (( segid " " and resid 134 and name HG11)) 2.700 0.900 0.900 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.28765E-02 ppm1 4.510 ppm2 1.221 CV 1 OR { 2056} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HG12)) OR { 2056} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HG1 )) ASSI { 2059} (( segid " " and resid 43 and name HA )) (( segid " " and resid 135 and name HG1 )) 3.100 1.200 1.200 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.73455E-03 ppm1 3.891 ppm2 1.229 CV 1 OR { 2059} (( segid " " and resid 143 and name HA )) (( segid " " and resid 35 and name HG1 )) ASSI { 2061} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 135 and name HG1 )) 3.100 1.200 1.200 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.23338E-02 ppm1 2.286 ppm2 1.220 CV 1 OR { 2061} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 35 and name HG1 )) OR { 2061} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 135 and name HG1 )) OR { 2061} (( segid " " and resid 143 and name HG1 )) (( segid " " and resid 35 and name HG1 )) ASSI { 2062} (( segid " " and resid 153 and name HB1 )) ( segid " " and resid 158 and name HG2%) 4.900 2.900 1.100 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.24633E-03 ppm1 2.242 ppm2 1.214 CV 1 OR { 2062} (( segid " " and resid 53 and name HB1 )) ( segid " " and resid 58 and name HG2%) ASSI { 2065} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 135 and name HG1 )) 6.000 5.200 0.000 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.40015E-04 ppm1 1.439 ppm2 1.220 CV 1 OR { 2065} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 35 and name HG1 )) OR { 2065} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 135 and name HG1 )) OR { 2065} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 35 and name HG1 )) ASSI { 2067} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 135 and name HG1 )) 6.000 6.000 0.000 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.22690E-04 ppm1 1.420 ppm2 1.224 CV 1 OR { 2067} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 35 and name HG1 )) OR { 2067} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 135 and name HG1 )) OR { 2067} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 35 and name HG1 )) OR { 2067} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 134 and name HG11)) ASSI { 2070} (( segid " " and resid 35 and name HG2 )) (( segid " " and resid 35 and name HG1 )) 1.400 0.200 0.800 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.20575E-01 ppm1 0.951 ppm2 1.222 CV 1 OR { 2070} (( segid " " and resid 135 and name HG2 )) (( segid " " and resid 135 and name HG1 )) ASSI { 2075} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 34 and name HG12)) 2.200 0.600 0.600 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.86515E-02 ppm1 0.737 ppm2 1.220 CV 1 OR { 2075} ( segid " " and resid 134 and name HD1%) (( segid " " and resid 134 and name HG11)) ASSI { 2077} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 34 and name HG12)) 2.300 0.700 0.700 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.66202E-02 ppm1 0.717 ppm2 1.209 CV 1 OR { 2077} ( segid " " and resid 134 and name HG2%) (( segid " " and resid 134 and name HG11)) ASSI { 2079} ( segid " " and resid 39 and name HG2%) ( segid " " and resid 161 and name HG2%) 2.500 2.500 3.500 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.61255E-02 ppm1 0.473 ppm2 1.238 CV 1 OR { 2079} ( segid " " and resid 139 and name HG2%) ( segid " " and resid 61 and name HG2%) ASSI { 2081} (( segid " " and resid 156 and name HA )) ( segid " " and resid 158 and name HG2%) 5.400 3.600 0.600 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.15337E-03 ppm1 4.431 ppm2 1.192 CV 1 OR { 2081} (( segid " " and resid 56 and name HA )) ( segid " " and resid 58 and name HG2%) ASSI { 2086} (( segid " " and resid 26 and name HB )) ( segid " " and resid 26 and name HG2%) 2.200 0.600 0.600 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.96721E-02 ppm1 4.201 ppm2 1.205 CV 1 OR { 2086} (( segid " " and resid 126 and name HB )) ( segid " " and resid 126 and name HG2%) ASSI { 2089} (( segid " " and resid 158 and name HB )) ( segid " " and resid 158 and name HG2%) 2.000 0.500 0.500 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.13264E-01 ppm1 3.975 ppm2 1.185 CV 1 OR { 2089} (( segid " " and resid 58 and name HB )) ( segid " " and resid 58 and name HG2%) ASSI { 2090} (( segid " " and resid 153 and name HA )) ( segid " " and resid 158 and name HG2%) 2.200 0.600 0.600 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.82258E-02 ppm1 3.978 ppm2 1.185 CV 1 OR { 2090} (( segid " " and resid 53 and name HA )) ( segid " " and resid 58 and name HG2%) ASSI { 2093} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 58 and name HG2%) 2.600 2.600 3.400 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.25942E-02 ppm1 2.265 ppm2 1.180 CV 1 OR { 2093} (( segid " " and resid 156 and name HB1 )) ( segid " " and resid 158 and name HG2%) ASSI { 2095} (( segid " " and resid 156 and name HB2 )) ( segid " " and resid 158 and name HG2%) 2.500 0.800 0.800 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.32533E-02 ppm1 1.928 ppm2 1.189 CV 1 OR { 2095} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 58 and name HG2%) ASSI { 2098} (( segid " " and resid 135 and name HD2 )) (( segid " " and resid 135 and name HG1 )) 2.400 0.700 0.700 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.36647E-02 ppm1 1.533 ppm2 1.193 CV 1 OR { 2098} (( segid " " and resid 35 and name HD1 )) (( segid " " and resid 35 and name HG1 )) ASSI { 2109} ( segid " " and resid 63 and name HG2%) ( segid " " and resid 58 and name HG2%) 2.000 2.000 4.000 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.14518E-01 ppm1 0.837 ppm2 1.183 CV 1 OR { 2109} ( segid " " and resid 163 and name HG1%) ( segid " " and resid 158 and name HG2%) ASSI { 2114} (( segid " " and resid 63 and name HA )) ( segid " " and resid 58 and name HG2%) 3.800 1.800 1.800 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.45508E-03 ppm1 3.522 ppm2 1.147 CV 1 OR { 2114} (( segid " " and resid 163 and name HA )) ( segid " " and resid 158 and name HG2%) OR { 2114} (( segid " " and resid 63 and name HA )) ( segid " " and resid 64 and name HG2%) ASSI { 2117} (( segid " " and resid 63 and name HB )) ( segid " " and resid 64 and name HG2%) 3.600 1.600 1.600 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.92884E-03 ppm1 1.646 ppm2 1.146 CV 1 OR { 2117} (( segid " " and resid 63 and name HB )) ( segid " " and resid 58 and name HG2%) OR { 2117} (( segid " " and resid 163 and name HB )) ( segid " " and resid 164 and name HG1%) ASSI { 2118} ( segid " " and resid 106 and name HB% ) ( segid " " and resid 108 and name HG2%) 4.000 2.000 2.000 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.41142E-03 ppm1 1.365 ppm2 1.134 CV 1 OR { 2118} ( segid " " and resid 6 and name HB% ) ( segid " " and resid 8 and name HG2%) ASSI { 2122} ( segid " " and resid 164 and name HG2%) ( segid " " and resid 164 and name HG1%) 1.500 1.500 4.500 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.48236E-01 ppm1 0.955 ppm2 1.145 CV 1 OR { 2122} ( segid " " and resid 64 and name HG1%) ( segid " " and resid 64 and name HG2%) ASSI { 2125} ( segid " " and resid 60 and name HG2%) ( segid " " and resid 64 and name HG2%) 2.700 2.700 3.300 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.52995E-02 ppm1 0.629 ppm2 1.156 CV 1 OR { 2125} ( segid " " and resid 160 and name HG2%) ( segid " " and resid 164 and name HG1%) ASSI { 2127} ( segid " " and resid 168 and name HG2%) ( segid " " and resid 164 and name HG1%) 2.300 2.300 3.700 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.91912E-02 ppm1 0.614 ppm2 1.134 CV 1 OR { 2127} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 164 and name HG1%) ASSI { 2130} (( segid " " and resid 168 and name HA )) ( segid " " and resid 67 and name HD2%) 2.900 1.000 1.000 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.90723E-03 ppm1 3.291 ppm2 1.101 CV 1 OR { 2130} (( segid " " and resid 68 and name HA )) ( segid " " and resid 167 and name HD1%) ASSI { 2131} (( segid " " and resid 170 and name HB2 )) ( segid " " and resid 67 and name HD2%) 4.500 2.600 1.500 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.40326E-03 ppm1 3.077 ppm2 1.091 CV 1 OR { 2131} (( segid " " and resid 70 and name HB2 )) ( segid " " and resid 67 and name HD2%) OR { 2131} (( segid " " and resid 70 and name HB2 )) ( segid " " and resid 167 and name HD1%) OR { 2131} (( segid " " and resid 170 and name HB1 )) ( segid " " and resid 67 and name HD2%) OR { 2131} (( segid " " and resid 70 and name HB1 )) ( segid " " and resid 67 and name HD2%) ASSI { 2137} (( segid " " and resid 167 and name HB2 )) ( segid " " and resid 167 and name HD1%) 2.500 0.800 0.800 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.24325E-02 ppm1 1.924 ppm2 1.088 CV 1 OR { 2137} (( segid " " and resid 67 and name HB1 )) ( segid " " and resid 67 and name HD2%) OR { 2137} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 167 and name HD1%) OR { 2137} (( segid " " and resid 167 and name HB1 )) ( segid " " and resid 167 and name HD1%) OR { 2137} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 67 and name HD2%) ASSI { 2138} (( segid " " and resid 148 and name HB1 )) ( segid " " and resid 72 and name HD2%) 3.400 1.400 1.400 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.58668E-03 ppm1 1.926 ppm2 1.094 CV 1 OR { 2138} (( segid " " and resid 48 and name HB2 )) ( segid " " and resid 172 and name HD2%) OR { 2138} (( segid " " and resid 68 and name HB )) ( segid " " and resid 167 and name HD1%) ASSI { 2141} ( segid " " and resid 63 and name HG1%) ( segid " " and resid 67 and name HD2%) 2.400 2.400 3.600 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.55524E-02 ppm1 -0.194 ppm2 1.113 CV 1 OR { 2141} ( segid " " and resid 63 and name HG1%) ( segid " " and resid 64 and name HG2%) ASSI { 2143} (( segid " " and resid 67 and name HA )) ( segid " " and resid 67 and name HD2%) 2.400 2.400 3.600 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.17042E-01 ppm1 4.172 ppm2 1.079 CV 1 OR { 2143} (( segid " " and resid 167 and name HA )) ( segid " " and resid 167 and name HD1%) ASSI { 2144} (( segid " " and resid 148 and name HA )) ( segid " " and resid 72 and name HD2%) 5.400 3.600 0.600 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.20531E-03 ppm1 4.165 ppm2 1.064 CV 1 OR { 2144} (( segid " " and resid 48 and name HA )) ( segid " " and resid 172 and name HD2%) ASSI { 2148} (( segid " " and resid 176 and name HG1 )) ( segid " " and resid 172 and name HD2%) 2.800 2.800 3.200 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.33787E-02 ppm1 2.303 ppm2 1.060 CV 1 OR { 2148} (( segid " " and resid 76 and name HG1 )) ( segid " " and resid 72 and name HD2%) OR { 2148} (( segid " " and resid 76 and name HG2 )) ( segid " " and resid 72 and name HD2%) ASSI { 2151} (( segid " " and resid 172 and name HB1 )) ( segid " " and resid 172 and name HD2%) 2.300 0.700 0.700 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.32982E-02 ppm1 2.083 ppm2 1.068 CV 1 OR { 2151} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 72 and name HD2%) ASSI { 2154} (( segid " " and resid 67 and name HG )) ( segid " " and resid 67 and name HD2%) 2.000 0.500 0.500 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.66185E-02 ppm1 2.025 ppm2 1.083 CV 1 OR { 2154} (( segid " " and resid 167 and name HG )) ( segid " " and resid 167 and name HD1%) ASSI { 2157} ( segid " " and resid 52 and name HB% ) ( segid " " and resid 172 and name HD2%) 2.300 2.300 3.700 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.86459E-02 ppm1 1.820 ppm2 1.065 CV 1 OR { 2157} ( segid " " and resid 52 and name HB% ) ( segid " " and resid 67 and name HD2%) ASSI { 2163} ( segid " " and resid 167 and name HD2%) ( segid " " and resid 167 and name HD1%) 1.800 1.800 4.200 peak 2163 spectrum 1 weight 0.10000E+01 volume 0.16123E-01 ppm1 0.567 ppm2 1.082 CV 1 OR { 2163} ( segid " " and resid 67 and name HD1%) ( segid " " and resid 67 and name HD2%) ASSI { 2164} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 167 and name HD1%) 2.800 1.000 1.000 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.39327E-02 ppm1 0.049 ppm2 1.065 CV 1 OR { 2164} ( segid " " and resid 168 and name HG1%) ( segid " " and resid 67 and name HD2%) OR { 2164} ( segid " " and resid 168 and name HG1%) ( segid " " and resid 172 and name HD2%) ASSI { 2169} (( segid " " and resid 128 and name HA )) ( segid " " and resid 129 and name HG2%) 3.900 1.900 1.900 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.98601E-03 ppm1 4.475 ppm2 0.971 CV 1 OR { 2169} (( segid " " and resid 28 and name HA )) ( segid " " and resid 29 and name HG2%) OR { 2169} (( segid " " and resid 128 and name HA )) ( segid " " and resid 129 and name HG1%) OR { 2169} (( segid " " and resid 28 and name HA )) ( segid " " and resid 29 and name HG1%) ASSI { 2170} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 29 and name HG1%) 2.800 2.800 3.200 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.48676E-03 ppm1 3.929 ppm2 0.973 CV 1 OR { 2170} (( segid " " and resid 130 and name HB2 )) ( segid " " and resid 129 and name HG1%) OR { 2170} (( segid " " and resid 130 and name HB1 )) ( segid " " and resid 129 and name HG1%) OR { 2170} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 29 and name HG1%) OR { 2170} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 29 and name HG2%) OR { 2170} (( segid " " and resid 130 and name HB2 )) ( segid " " and resid 129 and name HG2%) OR { 2170} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 29 and name HG2%) OR { 2170} (( segid " " and resid 130 and name HB1 )) ( segid " " and resid 129 and name HG2%) OR { 2170} (( segid " " and resid 131 and name HB2 )) ( segid " " and resid 129 and name HG1%) ASSI { 2177} ( segid " " and resid 126 and name HG2%) ( segid " " and resid 124 and name HG1%) 2.400 2.400 3.600 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.12131E-02 ppm1 1.208 ppm2 0.970 CV 1 OR { 2177} ( segid " " and resid 26 and name HG2%) ( segid " " and resid 24 and name HG1%) OR { 2177} ( segid " " and resid 126 and name HG2%) ( segid " " and resid 125 and name HG1%) OR { 2177} ( segid " " and resid 26 and name HG2%) ( segid " " and resid 25 and name HG1%) OR { 2177} ( segid " " and resid 26 and name HG2%) ( segid " " and resid 25 and name HG2%) OR { 2177} ( segid " " and resid 126 and name HG2%) ( segid " " and resid 125 and name HG2%) ASSI { 2184} ( segid " " and resid 139 and name HG1%) ( segid " " and resid 64 and name HG1%) 2.300 2.300 3.700 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.56014E-02 ppm1 0.773 ppm2 0.985 CV 1 OR { 2184} ( segid " " and resid 39 and name HG1%) ( segid " " and resid 164 and name HG2%) ASSI { 2190} (( segid " " and resid 127 and name HA )) ( segid " " and resid 129 and name HG2%) 3.400 3.400 2.600 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.55386E-03 ppm1 4.610 ppm2 0.933 CV 1 OR { 2190} (( segid " " and resid 27 and name HA )) ( segid " " and resid 29 and name HG2%) OR { 2190} (( segid " " and resid 127 and name HA )) ( segid " " and resid 129 and name HG1%) OR { 2190} (( segid " " and resid 27 and name HA )) ( segid " " and resid 29 and name HG1%) ASSI { 2192} (( segid " " and resid 126 and name HA )) ( segid " " and resid 125 and name HG1%) 2.700 2.700 3.300 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.72536E-03 ppm1 4.322 ppm2 0.927 CV 1 OR { 2192} (( segid " " and resid 26 and name HA )) ( segid " " and resid 25 and name HG1%) OR { 2192} (( segid " " and resid 126 and name HA )) ( segid " " and resid 125 and name HG2%) OR { 2192} (( segid " " and resid 26 and name HA )) ( segid " " and resid 25 and name HG2%) OR { 2192} (( segid " " and resid 26 and name HA )) ( segid " " and resid 29 and name HG2%) OR { 2192} (( segid " " and resid 126 and name HA )) ( segid " " and resid 129 and name HG2%) ASSI { 2193} (( segid " " and resid 25 and name HA )) ( segid " " and resid 25 and name HG1%) 2.200 0.600 0.600 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.10666E-01 ppm1 4.191 ppm2 0.937 CV 1 OR { 2193} (( segid " " and resid 125 and name HA )) ( segid " " and resid 125 and name HG1%) OR { 2193} (( segid " " and resid 25 and name HA )) ( segid " " and resid 25 and name HG2%) OR { 2193} (( segid " " and resid 125 and name HA )) ( segid " " and resid 125 and name HG2%) ASSI { 2196} (( segid " " and resid 10 and name HA )) ( segid " " and resid 10 and name HG1%) 2.000 0.500 0.500 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.21005E-01 ppm1 4.119 ppm2 0.941 CV 1 OR { 2196} (( segid " " and resid 110 and name HA )) ( segid " " and resid 110 and name HG1%) OR { 2196} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HG2%) OR { 2196} (( segid " " and resid 24 and name HA )) ( segid " " and resid 24 and name HG2%) OR { 2196} (( segid " " and resid 29 and name HA )) ( segid " " and resid 29 and name HG2%) OR { 2196} (( segid " " and resid 129 and name HA )) ( segid " " and resid 129 and name HG2%) OR { 2196} (( segid " " and resid 29 and name HA )) ( segid " " and resid 29 and name HG1%) OR { 2196} (( segid " " and resid 129 and name HA )) ( segid " " and resid 129 and name HG1%) OR { 2196} (( segid " " and resid 24 and name HA )) ( segid " " and resid 24 and name HG1%) OR { 2196} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HG1%) ASSI { 2197} (( segid " " and resid 65 and name HA )) ( segid " " and resid 64 and name HG1%) 3.200 1.300 1.300 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.15781E-02 ppm1 3.921 ppm2 0.940 CV 1 OR { 2197} (( segid " " and resid 165 and name HA )) ( segid " " and resid 164 and name HG2%) ASSI { 2198} (( segid " " and resid 43 and name HA )) (( segid " " and resid 135 and name HG2 )) 3.000 1.100 1.100 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.11043E-02 ppm1 3.886 ppm2 0.927 CV 1 OR { 2198} (( segid " " and resid 143 and name HA )) (( segid " " and resid 35 and name HG2 )) ASSI { 2200} (( segid " " and resid 68 and name HA )) ( segid " " and resid 64 and name HG1%) 5.400 3.700 0.600 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.80558E-04 ppm1 3.285 ppm2 0.948 CV 1 OR { 2200} (( segid " " and resid 68 and name HA )) ( segid " " and resid 164 and name HG2%) ASSI { 2201} (( segid " " and resid 23 and name HD1 )) ( segid " " and resid 25 and name HG2%) 2.700 2.700 3.300 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.59822E-03 ppm1 3.199 ppm2 0.944 CV 1 OR { 2201} (( segid " " and resid 123 and name HD1 )) ( segid " " and resid 125 and name HG2%) OR { 2201} (( segid " " and resid 123 and name HD2 )) ( segid " " and resid 125 and name HG2%) OR { 2201} (( segid " " and resid 23 and name HD2 )) ( segid " " and resid 25 and name HG2%) OR { 2201} (( segid " " and resid 119 and name HD2 )) ( segid " " and resid 121 and name HD2%) OR { 2201} (( segid " " and resid 19 and name HD2 )) ( segid " " and resid 21 and name HD2%) OR { 2201} (( segid " " and resid 23 and name HD2 )) ( segid " " and resid 21 and name HD2%) OR { 2201} (( segid " " and resid 123 and name HD2 )) ( segid " " and resid 121 and name HD2%) OR { 2201} (( segid " " and resid 123 and name HD1 )) ( segid " " and resid 125 and name HG1%) OR { 2201} (( segid " " and resid 23 and name HD1 )) ( segid " " and resid 25 and name HG1%) OR { 2201} (( segid " " and resid 123 and name HD1 )) ( segid " " and resid 121 and name HD2%) OR { 2201} (( segid " " and resid 23 and name HD1 )) ( segid " " and resid 21 and name HD2%) OR { 2201} (( segid " " and resid 119 and name HD1 )) ( segid " " and resid 121 and name HD2%) OR { 2201} (( segid " " and resid 19 and name HD1 )) ( segid " " and resid 21 and name HD2%) OR { 2201} (( segid " " and resid 123 and name HD2 )) ( segid " " and resid 125 and name HG1%) OR { 2201} (( segid " " and resid 23 and name HD2 )) ( segid " " and resid 25 and name HG1%) ASSI { 2202} (( segid " " and resid 112 and name HE2 )) ( segid " " and resid 110 and name HG1%) 4.300 2.300 1.700 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.39087E-04 ppm1 3.019 ppm2 0.926 CV 1 OR { 2202} (( segid " " and resid 12 and name HE2 )) ( segid " " and resid 10 and name HG1%) OR { 2202} (( segid " " and resid 112 and name HE1 )) ( segid " " and resid 110 and name HG1%) OR { 2202} (( segid " " and resid 12 and name HE1 )) ( segid " " and resid 10 and name HG1%) OR { 2202} (( segid " " and resid 112 and name HE1 )) ( segid " " and resid 110 and name HG2%) OR { 2202} (( segid " " and resid 12 and name HE1 )) ( segid " " and resid 10 and name HG2%) OR { 2202} (( segid " " and resid 112 and name HE2 )) ( segid " " and resid 110 and name HG2%) OR { 2202} (( segid " " and resid 12 and name HE2 )) ( segid " " and resid 10 and name HG2%) OR { 2202} (( segid " " and resid 11 and name HE1 )) ( segid " " and resid 10 and name HG2%) OR { 2202} (( segid " " and resid 111 and name HE1 )) ( segid " " and resid 110 and name HG2%) OR { 2202} (( segid " " and resid 111 and name HE1 )) ( segid " " and resid 110 and name HG1%) OR { 2202} (( segid " " and resid 11 and name HE1 )) ( segid " " and resid 10 and name HG1%) OR { 2202} (( segid " " and resid 11 and name HE2 )) ( segid " " and resid 10 and name HG2%) OR { 2202} (( segid " " and resid 111 and name HE2 )) ( segid " " and resid 110 and name HG2%) ASSI { 2204} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 35 and name HG2 )) 3.200 1.300 1.300 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.16288E-02 ppm1 2.282 ppm2 0.940 CV 1 OR { 2204} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 135 and name HG2 )) OR { 2204} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 135 and name HG2 )) OR { 2204} (( segid " " and resid 143 and name HG1 )) (( segid " " and resid 35 and name HG2 )) ASSI { 2205} (( segid " " and resid 22 and name HG2 )) ( segid " " and resid 24 and name HG2%) 5.100 3.200 0.900 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.75754E-04 ppm1 2.251 ppm2 0.943 CV 1 OR { 2205} (( segid " " and resid 122 and name HG2 )) ( segid " " and resid 124 and name HG2%) OR { 2205} (( segid " " and resid 22 and name HG2 )) ( segid " " and resid 24 and name HG1%) OR { 2205} (( segid " " and resid 122 and name HG2 )) ( segid " " and resid 124 and name HG1%) ASSI { 2210} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 135 and name HG2 )) 3.600 1.600 1.600 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.82672E-03 ppm1 2.090 ppm2 0.949 CV 1 OR { 2210} (( segid " " and resid 143 and name HB2 )) (( segid " " and resid 35 and name HG2 )) OR { 2210} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 135 and name HG2 )) OR { 2210} (( segid " " and resid 143 and name HB1 )) (( segid " " and resid 35 and name HG2 )) ASSI { 2211} (( segid " " and resid 124 and name HB )) ( segid " " and resid 124 and name HG1%) 1.600 0.300 0.600 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.60929E-01 ppm1 2.079 ppm2 0.951 CV 1 OR { 2211} (( segid " " and resid 24 and name HB )) ( segid " " and resid 24 and name HG1%) OR { 2211} (( segid " " and resid 10 and name HB )) ( segid " " and resid 10 and name HG1%) OR { 2211} (( segid " " and resid 29 and name HB )) ( segid " " and resid 29 and name HG1%) OR { 2211} (( segid " " and resid 129 and name HB )) ( segid " " and resid 129 and name HG1%) OR { 2211} (( segid " " and resid 110 and name HB )) ( segid " " and resid 110 and name HG1%) OR { 2211} (( segid " " and resid 125 and name HB )) ( segid " " and resid 125 and name HG1%) OR { 2211} (( segid " " and resid 25 and name HB )) ( segid " " and resid 25 and name HG1%) OR { 2211} (( segid " " and resid 24 and name HB )) ( segid " " and resid 24 and name HG2%) OR { 2211} (( segid " " and resid 29 and name HB )) ( segid " " and resid 29 and name HG2%) OR { 2211} (( segid " " and resid 129 and name HB )) ( segid " " and resid 129 and name HG2%) OR { 2211} (( segid " " and resid 25 and name HB )) ( segid " " and resid 25 and name HG2%) OR { 2211} (( segid " " and resid 125 and name HB )) ( segid " " and resid 125 and name HG2%) ASSI { 2213} (( segid " " and resid 122 and name HB1 )) ( segid " " and resid 124 and name HG2%) 2.900 2.900 3.100 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.17650E-02 ppm1 2.046 ppm2 0.951 CV 1 OR { 2213} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 24 and name HG2%) OR { 2213} (( segid " " and resid 122 and name HB1 )) ( segid " " and resid 124 and name HG1%) OR { 2213} (( segid " " and resid 22 and name HB1 )) ( segid " " and resid 24 and name HG1%) ASSI { 2224} (( segid " " and resid 35 and name HD1 )) (( segid " " and resid 35 and name HG2 )) 2.600 0.800 0.800 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.24817E-02 ppm1 1.537 ppm2 0.940 CV 1 OR { 2224} (( segid " " and resid 135 and name HD2 )) (( segid " " and resid 135 and name HG2 )) ASSI { 2226} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HG2 )) 2.200 0.600 0.600 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.90649E-02 ppm1 1.481 ppm2 0.950 CV 1 OR { 2226} (( segid " " and resid 135 and name HB2 )) (( segid " " and resid 135 and name HG2 )) OR { 2226} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HG2 )) OR { 2226} (( segid " " and resid 135 and name HB1 )) (( segid " " and resid 135 and name HG2 )) ASSI { 2228} (( segid " " and resid 135 and name HD1 )) (( segid " " and resid 135 and name HG2 )) 2.400 0.700 0.700 peak 2228 spectrum 1 weight 0.10000E+01 volume 0.33840E-02 ppm1 1.432 ppm2 0.935 CV 1 OR { 2228} (( segid " " and resid 35 and name HD2 )) (( segid " " and resid 35 and name HG2 )) ASSI { 2229} (( segid " " and resid 33 and name HG2 )) (( segid " " and resid 35 and name HG2 )) 4.800 2.900 1.200 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.86280E-04 ppm1 1.427 ppm2 0.927 CV 1 OR { 2229} (( segid " " and resid 133 and name HG2 )) (( segid " " and resid 135 and name HG2 )) OR { 2229} (( segid " " and resid 33 and name HG1 )) (( segid " " and resid 35 and name HG2 )) OR { 2229} (( segid " " and resid 133 and name HG1 )) (( segid " " and resid 135 and name HG2 )) OR { 2229} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 135 and name HG2 )) OR { 2229} (( segid " " and resid 145 and name HG1 )) (( segid " " and resid 35 and name HG2 )) OR { 2229} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 135 and name HG2 )) OR { 2229} (( segid " " and resid 145 and name HG2 )) (( segid " " and resid 35 and name HG2 )) ASSI { 2232} ( segid " " and resid 161 and name HG2%) ( segid " " and resid 164 and name HG2%) 4.300 2.300 1.700 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.60028E-03 ppm1 1.273 ppm2 0.927 CV 1 OR { 2232} ( segid " " and resid 61 and name HG2%) ( segid " " and resid 64 and name HG1%) ASSI { 2246} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 35 and name HG2 )) 5.500 3.800 0.500 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.14001E-03 ppm1 0.715 ppm2 0.948 CV 1 OR { 2246} ( segid " " and resid 134 and name HG2%) (( segid " " and resid 135 and name HG2 )) ASSI { 2249} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 64 and name HG1%) 2.100 2.100 3.900 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.11902E-01 ppm1 0.614 ppm2 0.949 CV 1 OR { 2249} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 164 and name HG2%) ASSI { 2256} ( segid " " and resid 139 and name HG2%) ( segid " " and resid 64 and name HG1%) 1.900 1.900 4.100 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.13638E-01 ppm1 0.472 ppm2 0.950 CV 1 OR { 2256} ( segid " " and resid 39 and name HG2%) ( segid " " and resid 164 and name HG2%) ASSI { 2269} (( segid " " and resid 19 and name HA )) ( segid " " and resid 21 and name HD2%) 3.900 3.900 2.100 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.72498E-03 ppm1 4.337 ppm2 0.913 CV 1 OR { 2269} (( segid " " and resid 119 and name HA )) ( segid " " and resid 121 and name HD2%) ASSI { 2270} (( segid " " and resid 11 and name HA )) ( segid " " and resid 10 and name HG2%) 3.100 1.200 1.200 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.28686E-03 ppm1 4.310 ppm2 0.907 CV 1 OR { 2270} (( segid " " and resid 111 and name HA )) ( segid " " and resid 110 and name HG2%) OR { 2270} (( segid " " and resid 111 and name HA )) ( segid " " and resid 110 and name HG1%) OR { 2270} (( segid " " and resid 11 and name HA )) ( segid " " and resid 10 and name HG1%) ASSI { 2271} (( segid " " and resid 21 and name HA )) ( segid " " and resid 21 and name HD1%) 2.500 0.800 0.800 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.68184E-02 ppm1 4.281 ppm2 0.876 CV 1 OR { 2271} (( segid " " and resid 121 and name HA )) ( segid " " and resid 121 and name HD1%) ASSI { 2273} (( segid " " and resid 45 and name HA )) ( segid " " and resid 172 and name HD1%) 3.800 1.800 1.800 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.20272E-03 ppm1 3.966 ppm2 0.890 CV 1 OR { 2273} (( segid " " and resid 145 and name HA )) ( segid " " and resid 72 and name HD1%) ASSI { 2277} (( segid " " and resid 149 and name HB1 )) ( segid " " and resid 72 and name HD1%) 6.000 4.800 0.000 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.11844E-03 ppm1 3.247 ppm2 0.884 CV 1 OR { 2277} (( segid " " and resid 49 and name HB1 )) ( segid " " and resid 172 and name HD1%) ASSI { 2278} (( segid " " and resid 145 and name HE1 )) ( segid " " and resid 72 and name HD1%) 3.700 1.700 1.700 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.32175E-03 ppm1 3.169 ppm2 0.881 CV 1 OR { 2278} (( segid " " and resid 45 and name HE2 )) ( segid " " and resid 172 and name HD1%) ASSI { 2288} (( segid " " and resid 48 and name HB2 )) ( segid " " and resid 172 and name HD1%) 2.900 1.000 1.000 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.11788E-02 ppm1 1.917 ppm2 0.905 CV 1 OR { 2288} (( segid " " and resid 148 and name HB1 )) ( segid " " and resid 72 and name HD1%) ASSI { 2291} (( segid " " and resid 45 and name HD1 )) ( segid " " and resid 172 and name HD1%) 3.300 3.300 2.700 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.17011E-02 ppm1 1.814 ppm2 0.883 CV 1 OR { 2291} (( segid " " and resid 145 and name HD1 )) ( segid " " and resid 72 and name HD1%) OR { 2291} (( segid " " and resid 45 and name HD2 )) ( segid " " and resid 172 and name HD1%) OR { 2291} (( segid " " and resid 145 and name HD2 )) ( segid " " and resid 72 and name HD1%) ASSI { 2294} (( segid " " and resid 119 and name HG2 )) ( segid " " and resid 121 and name HD1%) 2.900 1.000 1.000 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.21271E-02 ppm1 1.605 ppm2 0.898 CV 1 OR { 2294} (( segid " " and resid 19 and name HG2 )) ( segid " " and resid 21 and name HD1%) OR { 2294} (( segid " " and resid 119 and name HG1 )) ( segid " " and resid 121 and name HD1%) OR { 2294} (( segid " " and resid 19 and name HG1 )) ( segid " " and resid 21 and name HD1%) OR { 2294} (( segid " " and resid 119 and name HG2 )) ( segid " " and resid 121 and name HD2%) OR { 2294} (( segid " " and resid 19 and name HG2 )) ( segid " " and resid 21 and name HD2%) ASSI { 2301} (( segid " " and resid 12 and name HG2 )) ( segid " " and resid 10 and name HG1%) 4.000 2.000 2.000 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.56014E-04 ppm1 1.401 ppm2 0.897 CV 1 OR { 2301} (( segid " " and resid 112 and name HG2 )) ( segid " " and resid 110 and name HG1%) OR { 2301} (( segid " " and resid 11 and name HG2 )) ( segid " " and resid 10 and name HG1%) OR { 2301} (( segid " " and resid 111 and name HG2 )) ( segid " " and resid 110 and name HG1%) OR { 2301} (( segid " " and resid 11 and name HG2 )) ( segid " " and resid 10 and name HG2%) OR { 2301} (( segid " " and resid 111 and name HG2 )) ( segid " " and resid 110 and name HG2%) ASSI { 2332} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 72 and name HD1%) 2.200 2.200 3.800 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.92038E-02 ppm1 0.052 ppm2 0.885 CV 1 OR { 2332} ( segid " " and resid 168 and name HG1%) ( segid " " and resid 172 and name HD1%) ASSI { 2344} (( segid " " and resid 68 and name HA )) ( segid " " and resid 72 and name HD1%) 6.000 6.000 0.000 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.19404E-04 ppm1 3.292 ppm2 0.859 CV 1 OR { 2344} (( segid " " and resid 168 and name HA )) ( segid " " and resid 172 and name HD1%) OR { 2344} (( segid " " and resid 68 and name HA )) ( segid " " and resid 163 and name HG1%) ASSI { 2347} (( segid " " and resid 166 and name HB2 )) ( segid " " and resid 163 and name HG1%) 6.000 6.000 0.000 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.19551E-04 ppm1 2.259 ppm2 0.838 CV 1 OR { 2347} (( segid " " and resid 166 and name HB1 )) ( segid " " and resid 163 and name HG1%) OR { 2347} (( segid " " and resid 66 and name HB2 )) ( segid " " and resid 63 and name HG2%) ASSI { 2351} (( segid " " and resid 172 and name HB1 )) ( segid " " and resid 172 and name HD1%) 2.600 0.800 0.800 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.49551E-02 ppm1 2.085 ppm2 0.868 CV 1 OR { 2351} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 72 and name HD1%) ASSI { 2352} (( segid " " and resid 72 and name HG )) ( segid " " and resid 72 and name HD1%) 2.100 0.500 0.500 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.68863E-02 ppm1 2.000 ppm2 0.870 CV 1 OR { 2352} (( segid " " and resid 172 and name HG )) ( segid " " and resid 172 and name HD1%) ASSI { 2353} ( segid " " and resid 152 and name HB% ) ( segid " " and resid 163 and name HG1%) 2.900 2.900 3.100 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.28767E-02 ppm1 1.822 ppm2 0.852 CV 1 OR { 2353} ( segid " " and resid 52 and name HB% ) ( segid " " and resid 172 and name HD1%) ASSI { 2365} ( segid " " and resid 67 and name HD2%) ( segid " " and resid 63 and name HG2%) 3.600 1.700 1.700 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.92203E-03 ppm1 1.083 ppm2 0.852 CV 1 OR { 2365} ( segid " " and resid 67 and name HD2%) ( segid " " and resid 172 and name HD1%) OR { 2365} ( segid " " and resid 167 and name HD1%) ( segid " " and resid 163 and name HG1%) ASSI { 2369} ( segid " " and resid 137 and name HG2%) ( segid " " and resid 137 and name HG1%) 1.600 1.600 4.400 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.52347E-01 ppm1 0.656 ppm2 0.832 CV 1 OR { 2369} ( segid " " and resid 37 and name HG2%) ( segid " " and resid 37 and name HG1%) ASSI { 2373} ( segid " " and resid 160 and name HG2%) ( segid " " and resid 37 and name HG1%) 2.300 2.300 3.700 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.91800E-02 ppm1 0.630 ppm2 0.835 CV 1 OR { 2373} ( segid " " and resid 60 and name HG2%) ( segid " " and resid 137 and name HG1%) ASSI { 2376} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 137 and name HG1%) 2.700 2.700 3.300 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.61813E-02 ppm1 0.513 ppm2 0.836 CV 1 OR { 2376} ( segid " " and resid 160 and name HD1%) ( segid " " and resid 37 and name HG1%) ASSI { 2382} ( segid " " and resid 163 and name HG2%) ( segid " " and resid 163 and name HG1%) 2.000 2.000 4.000 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.12974E-01 ppm1 -0.196 ppm2 0.838 CV 1 OR { 2382} ( segid " " and resid 63 and name HG1%) ( segid " " and resid 63 and name HG2%) ASSI { 2383} (( segid " " and resid 62 and name HA )) ( segid " " and resid 63 and name HG2%) 5.600 4.000 0.400 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.12115E-03 ppm1 4.434 ppm2 0.829 CV 1 OR { 2383} (( segid " " and resid 162 and name HA )) ( segid " " and resid 163 and name HG1%) ASSI { 2386} (( segid " " and resid 58 and name HB )) ( segid " " and resid 63 and name HG2%) 4.200 2.200 1.800 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.54358E-03 ppm1 3.967 ppm2 0.825 CV 1 OR { 2386} (( segid " " and resid 158 and name HB )) ( segid " " and resid 163 and name HG1%) ASSI { 2387} (( segid " " and resid 76 and name HA )) (( segid " " and resid 75 and name HB1 )) 4.900 3.000 1.100 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.19502E-04 ppm1 3.886 ppm2 0.805 CV 1 OR { 2387} (( segid " " and resid 176 and name HA )) (( segid " " and resid 175 and name HB1 )) OR { 2387} (( segid " " and resid 76 and name HA )) ( segid " " and resid 163 and name HG1%) ASSI { 2392} (( segid " " and resid 37 and name HB )) ( segid " " and resid 37 and name HG1%) 1.900 0.400 0.400 peak 2392 spectrum 1 weight 0.10000E+01 volume 0.16369E-01 ppm1 2.213 ppm2 0.814 CV 1 OR { 2392} (( segid " " and resid 137 and name HB )) ( segid " " and resid 137 and name HG1%) ASSI { 2400} (( segid " " and resid 61 and name HB )) ( segid " " and resid 139 and name HG1%) 4.700 2.700 1.300 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.41679E-03 ppm1 4.074 ppm2 0.781 CV 1 OR { 2400} (( segid " " and resid 161 and name HB )) ( segid " " and resid 39 and name HG1%) ASSI { 2403} (( segid " " and resid 61 and name HA )) ( segid " " and resid 139 and name HG1%) 2.800 1.000 1.000 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.32789E-02 ppm1 3.845 ppm2 0.778 CV 1 OR { 2403} (( segid " " and resid 161 and name HA )) ( segid " " and resid 39 and name HG1%) ASSI { 2406} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HB1 )) 1.600 0.300 0.600 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.15701E-01 ppm1 1.696 ppm2 0.780 CV 1 OR { 2406} (( segid " " and resid 175 and name HB2 )) (( segid " " and resid 175 and name HB1 )) ASSI { 2414} ( segid " " and resid 139 and name HG2%) ( segid " " and resid 139 and name HG1%) 1.700 1.700 4.300 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.27679E-01 ppm1 0.473 ppm2 0.776 CV 1 OR { 2414} ( segid " " and resid 39 and name HG2%) ( segid " " and resid 39 and name HG1%) ASSI { 2415} (( segid " " and resid 35 and name HA )) ( segid " " and resid 34 and name HG2%) 3.300 1.300 1.300 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.17530E-02 ppm1 4.529 ppm2 0.715 CV 1 OR { 2415} (( segid " " and resid 135 and name HA )) ( segid " " and resid 134 and name HG2%) ASSI { 2419} (( segid " " and resid 36 and name HD1 )) ( segid " " and resid 34 and name HG2%) 2.700 2.700 3.300 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.61968E-03 ppm1 3.186 ppm2 0.723 CV 1 OR { 2419} (( segid " " and resid 136 and name HD1 )) ( segid " " and resid 134 and name HG2%) ASSI { 2421} (( segid " " and resid 36 and name HD2 )) ( segid " " and resid 34 and name HG2%) 4.200 2.200 1.800 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.41166E-04 ppm1 3.096 ppm2 0.727 CV 1 OR { 2421} (( segid " " and resid 136 and name HD2 )) ( segid " " and resid 134 and name HG2%) ASSI { 2427} (( segid " " and resid 134 and name HB )) ( segid " " and resid 134 and name HG2%) 1.900 0.400 0.400 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.20981E-01 ppm1 1.753 ppm2 0.722 CV 1 OR { 2427} (( segid " " and resid 34 and name HB )) ( segid " " and resid 34 and name HG2%) OR { 2427} (( segid " " and resid 34 and name HB )) ( segid " " and resid 34 and name HD1%) OR { 2427} (( segid " " and resid 134 and name HB )) ( segid " " and resid 134 and name HD1%) ASSI { 2432} (( segid " " and resid 134 and name HG12)) ( segid " " and resid 134 and name HD1%) 2.000 0.500 0.500 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.15476E-01 ppm1 1.420 ppm2 0.726 CV 1 OR { 2432} (( segid " " and resid 34 and name HG11)) ( segid " " and resid 34 and name HD1%) OR { 2432} (( segid " " and resid 134 and name HG12)) ( segid " " and resid 134 and name HG2%) ASSI { 2434} (( segid " " and resid 34 and name HG12)) ( segid " " and resid 34 and name HD1%) 2.000 0.500 0.500 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.14581E-01 ppm1 1.212 ppm2 0.728 CV 1 OR { 2434} (( segid " " and resid 134 and name HG11)) ( segid " " and resid 134 and name HD1%) OR { 2434} (( segid " " and resid 34 and name HG12)) ( segid " " and resid 34 and name HG2%) ASSI { 2443} (( segid " " and resid 41 and name HB2 )) ( segid " " and resid 137 and name HG2%) 3.800 1.800 1.800 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.72970E-03 ppm1 3.241 ppm2 0.678 CV 1 OR { 2443} (( segid " " and resid 141 and name HB1 )) ( segid " " and resid 37 and name HG2%) ASSI { 2444} (( segid " " and resid 141 and name HB2 )) ( segid " " and resid 37 and name HG2%) 3.400 3.400 2.600 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.15907E-02 ppm1 2.818 ppm2 0.674 CV 1 OR { 2444} (( segid " " and resid 41 and name HB1 )) ( segid " " and resid 137 and name HG2%) ASSI { 2448} ( segid " " and resid 61 and name HG2%) ( segid " " and resid 137 and name HG2%) 2.800 2.800 3.200 peak 2448 spectrum 1 weight 0.10000E+01 volume 0.28299E-02 ppm1 1.268 ppm2 0.693 CV 1 OR { 2448} ( segid " " and resid 61 and name HG2%) ( segid " " and resid 34 and name HG2%) OR { 2448} ( segid " " and resid 61 and name HG2%) ( segid " " and resid 37 and name HG2%) ASSI { 2455} (( segid " " and resid 137 and name HB )) ( segid " " and resid 137 and name HG2%) 1.900 0.400 0.400 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.16159E-01 ppm1 2.213 ppm2 0.660 CV 1 OR { 2455} (( segid " " and resid 37 and name HB )) ( segid " " and resid 37 and name HG2%) ASSI { 2467} (( segid " " and resid 71 and name HA )) ( segid " " and resid 167 and name HD2%) 4.300 2.300 1.700 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.89824E-03 ppm1 4.196 ppm2 0.590 CV 1 OR { 2467} (( segid " " and resid 171 and name HA )) ( segid " " and resid 67 and name HD1%) ASSI { 2468} (( segid " " and resid 165 and name HA )) ( segid " " and resid 168 and name HG2%) 2.800 1.000 1.000 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.28501E-02 ppm1 3.914 ppm2 0.608 CV 1 OR { 2468} (( segid " " and resid 65 and name HA )) ( segid " " and resid 68 and name HG2%) ASSI { 2469} (( segid " " and resid 163 and name HA )) ( segid " " and resid 167 and name HD2%) 5.100 3.300 0.900 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.76415E-04 ppm1 3.519 ppm2 0.588 CV 1 OR { 2469} (( segid " " and resid 63 and name HA )) ( segid " " and resid 67 and name HD1%) ASSI { 2470} (( segid " " and resid 64 and name HA )) ( segid " " and resid 67 and name HD1%) 2.000 2.000 4.000 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.81973E-02 ppm1 3.399 ppm2 0.582 CV 1 OR { 2470} (( segid " " and resid 164 and name HA )) ( segid " " and resid 167 and name HD2%) OR { 2470} (( segid " " and resid 164 and name HA )) ( segid " " and resid 68 and name HG2%) ASSI { 2471} (( segid " " and resid 68 and name HA )) ( segid " " and resid 167 and name HD2%) 1.900 0.400 0.400 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.13136E-01 ppm1 3.285 ppm2 0.597 CV 1 OR { 2471} (( segid " " and resid 68 and name HA )) ( segid " " and resid 68 and name HG2%) OR { 2471} (( segid " " and resid 168 and name HA )) ( segid " " and resid 168 and name HG2%) OR { 2471} (( segid " " and resid 168 and name HA )) ( segid " " and resid 67 and name HD1%) ASSI { 2473} (( segid " " and resid 168 and name HB )) ( segid " " and resid 168 and name HG2%) 2.000 0.500 0.500 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.11581E-01 ppm1 1.925 ppm2 0.611 CV 1 OR { 2473} (( segid " " and resid 68 and name HB )) ( segid " " and resid 68 and name HG2%) ASSI { 2475} (( segid " " and resid 163 and name HB )) ( segid " " and resid 68 and name HG2%) 5.400 3.600 0.600 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.10673E-03 ppm1 1.639 ppm2 0.608 CV 1 OR { 2475} (( segid " " and resid 63 and name HB )) ( segid " " and resid 168 and name HG2%) OR { 2475} (( segid " " and resid 63 and name HB )) ( segid " " and resid 60 and name HG2%) ASSI { 2483} ( segid " " and resid 64 and name HG1%) ( segid " " and resid 67 and name HD1%) 1.900 1.900 4.100 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.19775E-01 ppm1 0.954 ppm2 0.590 CV 1 OR { 2483} ( segid " " and resid 164 and name HG2%) ( segid " " and resid 167 and name HD2%) OR { 2483} ( segid " " and resid 64 and name HG1%) ( segid " " and resid 168 and name HG2%) ASSI { 2486} ( segid " " and resid 168 and name HG1%) ( segid " " and resid 168 and name HG2%) 1.900 1.900 4.100 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.18904E-01 ppm1 0.053 ppm2 0.609 CV 1 OR { 2486} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 68 and name HG2%) ASSI { 2487} (( segid " " and resid 167 and name HA )) ( segid " " and resid 167 and name HD2%) 3.000 1.100 1.100 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.44572E-02 ppm1 4.171 ppm2 0.575 CV 1 OR { 2487} (( segid " " and resid 67 and name HA )) ( segid " " and resid 67 and name HD1%) OR { 2487} (( segid " " and resid 167 and name HA )) ( segid " " and resid 67 and name HD1%) OR { 2487} (( segid " " and resid 167 and name HA )) ( segid " " and resid 68 and name HG2%) ASSI { 2491} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 67 and name HD1%) 2.200 0.600 0.600 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.56522E-02 ppm1 1.909 ppm2 0.575 CV 1 OR { 2491} (( segid " " and resid 167 and name HB1 )) ( segid " " and resid 167 and name HD2%) OR { 2491} (( segid " " and resid 167 and name HB2 )) ( segid " " and resid 67 and name HD1%) OR { 2491} (( segid " " and resid 67 and name HB1 )) ( segid " " and resid 67 and name HD1%) OR { 2491} (( segid " " and resid 167 and name HB2 )) ( segid " " and resid 167 and name HD2%) OR { 2491} (( segid " " and resid 167 and name HB1 )) ( segid " " and resid 68 and name HG2%) OR { 2491} (( segid " " and resid 167 and name HB1 )) ( segid " " and resid 67 and name HD1%) OR { 2491} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 167 and name HD2%) ASSI { 2493} ( segid " " and resid 167 and name HD1%) ( segid " " and resid 167 and name HD2%) 1.700 1.700 4.300 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.22543E-01 ppm1 1.080 ppm2 0.571 CV 1 OR { 2493} ( segid " " and resid 67 and name HD2%) ( segid " " and resid 67 and name HD1%) OR { 2493} ( segid " " and resid 167 and name HD1%) ( segid " " and resid 68 and name HG2%) OR { 2493} ( segid " " and resid 67 and name HD2%) ( segid " " and resid 168 and name HG2%) ASSI { 2495} ( segid " " and resid 163 and name HG2%) ( segid " " and resid 167 and name HD2%) 2.600 2.600 3.400 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.10151E-01 ppm1 -0.196 ppm2 0.578 CV 1 OR { 2495} ( segid " " and resid 63 and name HG1%) ( segid " " and resid 67 and name HD1%) OR { 2495} ( segid " " and resid 63 and name HG1%) ( segid " " and resid 168 and name HG2%) ASSI { 2498} (( segid " " and resid 150 and name HB2 )) ( segid " " and resid 160 and name HD1%) 4.000 2.000 2.000 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.67022E-03 ppm1 1.667 ppm2 0.509 CV 1 OR { 2498} (( segid " " and resid 50 and name HB2 )) ( segid " " and resid 60 and name HD1%) ASSI { 2500} (( segid " " and resid 50 and name HD2 )) ( segid " " and resid 60 and name HD1%) 3.700 1.700 1.700 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.38552E-03 ppm1 1.556 ppm2 0.512 CV 1 OR { 2500} (( segid " " and resid 150 and name HD2 )) ( segid " " and resid 160 and name HD1%) OR { 2500} (( segid " " and resid 50 and name HD1 )) ( segid " " and resid 60 and name HD1%) OR { 2500} (( segid " " and resid 150 and name HD1 )) ( segid " " and resid 160 and name HD1%) ASSI { 2502} (( segid " " and resid 150 and name HB1 )) ( segid " " and resid 160 and name HD1%) 3.000 3.000 3.000 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.29233E-02 ppm1 1.399 ppm2 0.520 CV 1 OR { 2502} (( segid " " and resid 50 and name HB1 )) ( segid " " and resid 60 and name HD1%) ASSI { 2504} (( segid " " and resid 160 and name HG12)) ( segid " " and resid 160 and name HD1%) 2.100 0.500 0.500 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.76485E-02 ppm1 1.273 ppm2 0.530 CV 1 OR { 2504} (( segid " " and resid 60 and name HG12)) ( segid " " and resid 60 and name HD1%) ASSI { 2505} (( segid " " and resid 150 and name HG2 )) ( segid " " and resid 160 and name HD1%) 2.500 2.500 3.500 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.42275E-02 ppm1 1.260 ppm2 0.518 CV 1 OR { 2505} (( segid " " and resid 50 and name HG2 )) ( segid " " and resid 60 and name HD1%) OR { 2505} (( segid " " and resid 150 and name HG1 )) ( segid " " and resid 160 and name HD1%) OR { 2505} (( segid " " and resid 50 and name HG1 )) ( segid " " and resid 60 and name HD1%) ASSI { 2509} (( segid " " and resid 161 and name HB )) ( segid " " and resid 39 and name HG2%) 4.300 2.300 1.700 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.68860E-03 ppm1 4.083 ppm2 0.483 CV 1 OR { 2509} (( segid " " and resid 61 and name HB )) ( segid " " and resid 139 and name HG2%) ASSI { 2511} (( segid " " and resid 61 and name HA )) ( segid " " and resid 139 and name HG2%) 2.300 2.300 3.700 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.86283E-02 ppm1 3.845 ppm2 0.479 CV 1 OR { 2511} (( segid " " and resid 161 and name HA )) ( segid " " and resid 39 and name HG2%) ASSI { 2512} (( segid " " and resid 37 and name HB )) ( segid " " and resid 39 and name HG2%) 4.200 2.200 1.800 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.29562E-03 ppm1 2.207 ppm2 0.475 CV 1 OR { 2512} (( segid " " and resid 137 and name HB )) ( segid " " and resid 139 and name HG2%) OR { 2512} (( segid " " and resid 37 and name HB )) ( segid " " and resid 160 and name HD1%) OR { 2512} (( segid " " and resid 137 and name HB )) ( segid " " and resid 60 and name HD1%) ASSI { 2521} ( segid " " and resid 37 and name HG2%) ( segid " " and resid 39 and name HG2%) 3.700 1.700 1.700 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.18018E-02 ppm1 0.657 ppm2 0.442 CV 1 OR { 2521} ( segid " " and resid 137 and name HG2%) ( segid " " and resid 139 and name HG2%) ASSI { 2531} (( segid " " and resid 68 and name HA )) ( segid " " and resid 68 and name HG1%) 2.300 2.300 3.700 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.59302E-02 ppm1 3.287 ppm2 0.054 CV 1 OR { 2531} (( segid " " and resid 168 and name HA )) ( segid " " and resid 168 and name HG1%) ASSI { 2532} (( segid " " and resid 45 and name HE2 )) ( segid " " and resid 168 and name HG1%) 3.100 1.200 1.200 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.87839E-03 ppm1 3.166 ppm2 0.051 CV 1 OR { 2532} (( segid " " and resid 145 and name HE1 )) ( segid " " and resid 68 and name HG1%) ASSI { 2534} (( segid " " and resid 72 and name HG )) ( segid " " and resid 68 and name HG1%) 3.400 3.400 2.600 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.14997E-02 ppm1 2.004 ppm2 0.062 CV 1 OR { 2534} (( segid " " and resid 172 and name HG )) ( segid " " and resid 168 and name HG1%) ASSI { 2536} (( segid " " and resid 45 and name HD1 )) ( segid " " and resid 168 and name HG1%) 3.000 1.100 1.100 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.19994E-02 ppm1 1.839 ppm2 0.053 CV 1 OR { 2536} (( segid " " and resid 145 and name HD1 )) ( segid " " and resid 68 and name HG1%) OR { 2536} (( segid " " and resid 45 and name HD2 )) ( segid " " and resid 168 and name HG1%) OR { 2536} (( segid " " and resid 145 and name HD2 )) ( segid " " and resid 68 and name HG1%) ASSI { 2539} (( segid " " and resid 45 and name HG2 )) ( segid " " and resid 168 and name HG1%) 6.000 4.800 0.000 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.58745E-04 ppm1 1.425 ppm2 0.050 CV 1 OR { 2539} (( segid " " and resid 145 and name HG2 )) ( segid " " and resid 68 and name HG1%) OR { 2539} (( segid " " and resid 45 and name HG1 )) ( segid " " and resid 168 and name HG1%) OR { 2539} (( segid " " and resid 145 and name HG1 )) ( segid " " and resid 68 and name HG1%) ASSI { 2540} ( segid " " and resid 164 and name HG1%) ( segid " " and resid 168 and name HG1%) 4.100 2.100 1.900 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.51850E-03 ppm1 1.144 ppm2 0.052 CV 1 OR { 2540} ( segid " " and resid 164 and name HG1%) ( segid " " and resid 68 and name HG1%) OR { 2540} ( segid " " and resid 64 and name HG2%) ( segid " " and resid 168 and name HG1%) ASSI { 2542} ( segid " " and resid 64 and name HG1%) ( segid " " and resid 68 and name HG1%) 3.900 1.900 1.900 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.65034E-03 ppm1 0.950 ppm2 0.049 CV 1 OR { 2542} ( segid " " and resid 64 and name HG1%) ( segid " " and resid 168 and name HG1%) OR { 2542} ( segid " " and resid 164 and name HG2%) ( segid " " and resid 68 and name HG1%) ASSI { 2545} ( segid " " and resid 67 and name HD1%) ( segid " " and resid 168 and name HG1%) 3.500 1.500 1.500 peak 2545 spectrum 1 weight 0.10000E+01 volume 0.99672E-03 ppm1 0.564 ppm2 0.058 CV 1 OR { 2545} ( segid " " and resid 167 and name HD2%) ( segid " " and resid 68 and name HG1%) ASSI { 2550} (( segid " " and resid 150 and name HA )) ( segid " " and resid 163 and name HG2%) 6.000 5.400 0.000 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.19277E-04 ppm1 3.440 ppm2 -0.215 CV 1 OR { 2550} (( segid " " and resid 150 and name HA )) (( segid " " and resid 160 and name HG11)) OR { 2550} (( segid " " and resid 50 and name HA )) (( segid " " and resid 60 and name HG11)) ASSI { 2551} (( segid " " and resid 64 and name HA )) ( segid " " and resid 63 and name HG1%) 3.600 1.700 1.700 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.90922E-03 ppm1 3.395 ppm2 -0.211 CV 1 OR { 2551} (( segid " " and resid 164 and name HA )) ( segid " " and resid 163 and name HG2%) ASSI { 2557} ( segid " " and resid 158 and name HG2%) ( segid " " and resid 163 and name HG2%) 3.300 1.300 1.300 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.86333E-03 ppm1 1.183 ppm2 -0.208 CV 1 OR { 2557} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 63 and name HG1%) ASSI { 2567} (( segid " " and resid 160 and name HA )) ( segid " " and resid 163 and name HG2%) 2.000 0.500 0.500 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.62330E-02 ppm1 3.144 ppm2 -0.238 CV 1 OR { 2567} (( segid " " and resid 160 and name HA )) (( segid " " and resid 160 and name HG11)) OR { 2567} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HG11)) ASSI { 2568} (( segid " " and resid 160 and name HB )) (( segid " " and resid 160 and name HG11)) 2.700 0.900 0.900 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.18419E-02 ppm1 1.630 ppm2 -0.247 CV 1 OR { 2568} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HG11)) ASSI { 2570} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HG11)) 3.200 1.300 1.300 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.25039E-02 ppm1 0.630 ppm2 -0.235 CV 1 OR { 2570} ( segid " " and resid 160 and name HG2%) (( segid " " and resid 160 and name HG11)) ASSI { 2572} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HG11)) 2.100 0.500 0.500 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.77389E-02 ppm1 0.515 ppm2 -0.243 CV 1 OR { 2572} ( segid " " and resid 160 and name HD1%) (( segid " " and resid 160 and name HG11)) ASSI { 4} (( segid " " and resid 171 and name HE1 )) (( segid " " and resid 171 and name HD1 )) 2.200 0.600 0.600 peak 4 spectrum 1 weight 0.11000E+01 volume 0.14916E-01 ppm1 10.497 ppm2 7.380 CV 1 OR { 4} (( segid " " and resid 71 and name HE1 )) (( segid " " and resid 71 and name HD1 )) ASSI { 7} (( segid " " and resid 71 and name HE1 )) (( segid " " and resid 71 and name HA )) 6.000 4.800 0.000 peak 7 spectrum 1 weight 0.11000E+01 volume 0.96122E-04 ppm1 10.496 ppm2 4.179 CV 1 OR { 7} (( segid " " and resid 171 and name HE1 )) (( segid " " and resid 171 and name HA )) ASSI { 9} (( segid " " and resid 171 and name HE1 )) ( segid " " and resid 67 and name HD2%) 3.300 3.300 2.700 peak 9 spectrum 1 weight 0.11000E+01 volume 0.22955E-02 ppm1 10.497 ppm2 1.070 CV 1 OR { 9} (( segid " " and resid 71 and name HE1 )) ( segid " " and resid 167 and name HD1%) ASSI { 36} (( segid " " and resid 127 and name HN )) (( segid " " and resid 125 and name HA )) 2.200 2.200 3.800 peak 36 spectrum 1 weight 0.11000E+01 volume 0.24856E-02 ppm1 8.343 ppm2 4.144 CV 1 OR { 36} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HA )) ASSI { 37} (( segid " " and resid 127 and name HN )) ( segid " " and resid 127 and name HB% ) 2.300 0.600 0.600 peak 37 spectrum 1 weight 0.11000E+01 volume 0.14576E-01 ppm1 8.344 ppm2 1.361 CV 1 OR { 37} (( segid " " and resid 27 and name HN )) ( segid " " and resid 27 and name HB% ) ASSI { 39} (( segid " " and resid 127 and name HN )) ( segid " " and resid 125 and name HG1%) 3.100 3.100 2.900 peak 39 spectrum 1 weight 0.11000E+01 volume 0.32242E-03 ppm1 8.345 ppm2 0.927 CV 1 OR { 39} (( segid " " and resid 27 and name HN )) ( segid " " and resid 25 and name HG1%) OR { 39} (( segid " " and resid 27 and name HN )) ( segid " " and resid 25 and name HG2%) ASSI { 46} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB2 )) 2.400 0.700 0.700 peak 46 spectrum 1 weight 0.11000E+01 volume 0.82563E-02 ppm1 9.420 ppm2 1.462 CV 1 OR { 46} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB2 )) OR { 46} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB1 )) OR { 46} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB1 )) OR { 46} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HG12)) OR { 46} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HG11)) ASSI { 80} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB1 )) 2.900 1.000 1.000 peak 80 spectrum 1 weight 0.11000E+01 volume 0.44340E-02 ppm1 8.587 ppm2 1.805 CV 1 OR { 80} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB1 )) OR { 80} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB2 )) OR { 80} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB2 )) ASSI { 81} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HG2 )) 3.100 1.200 1.200 peak 81 spectrum 1 weight 0.11000E+01 volume 0.60139E-02 ppm1 8.586 ppm2 1.610 CV 1 OR { 81} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG2 )) OR { 81} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HG1 )) OR { 81} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG1 )) ASSI { 82} (( segid " " and resid 137 and name HN )) ( segid " " and resid 137 and name HG1%) 3.100 1.200 1.200 peak 82 spectrum 1 weight 0.11000E+01 volume 0.59220E-02 ppm1 8.585 ppm2 0.797 CV 1 OR { 82} (( segid " " and resid 37 and name HN )) ( segid " " and resid 37 and name HG1%) ASSI { 107} (( segid " " and resid 176 and name HN )) (( segid " " and resid 175 and name HN )) 2.000 0.500 0.500 peak 107 spectrum 1 weight 0.11000E+01 volume 0.14074E-01 ppm1 7.954 ppm2 7.488 CV 1 OR { 107} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HN )) ASSI { 108} (( segid " " and resid 176 and name HN )) (( segid " " and resid 174 and name HN )) 2.700 0.900 0.900 peak 108 spectrum 1 weight 0.11000E+01 volume 0.46084E-02 ppm1 7.953 ppm2 7.090 CV 1 OR { 108} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HN )) ASSI { 111} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 2.600 0.800 0.800 peak 111 spectrum 1 weight 0.11000E+01 volume 0.67010E-02 ppm1 7.954 ppm2 4.555 CV 1 OR { 111} (( segid " " and resid 176 and name HN )) (( segid " " and resid 175 and name HA )) ASSI { 114} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 2.200 0.600 0.600 peak 114 spectrum 1 weight 0.11000E+01 volume 0.13064E-01 ppm1 7.954 ppm2 3.880 CV 1 OR { 114} (( segid " " and resid 176 and name HN )) (( segid " " and resid 176 and name HA )) ASSI { 115} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HG2 )) 3.400 1.400 1.400 peak 115 spectrum 1 weight 0.11000E+01 volume 0.68317E-02 ppm1 7.954 ppm2 2.295 CV 1 OR { 115} (( segid " " and resid 176 and name HN )) (( segid " " and resid 176 and name HG2 )) OR { 115} (( segid " " and resid 176 and name HN )) (( segid " " and resid 176 and name HG1 )) OR { 115} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HG1 )) ASSI { 116} (( segid " " and resid 176 and name HN )) (( segid " " and resid 176 and name HB2 )) 1.800 0.400 0.400 peak 116 spectrum 1 weight 0.11000E+01 volume 0.33414E-01 ppm1 7.954 ppm2 1.999 CV 1 OR { 116} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB2 )) OR { 116} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB1 )) OR { 116} (( segid " " and resid 176 and name HN )) (( segid " " and resid 176 and name HB1 )) ASSI { 117} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB2 )) 3.300 1.300 1.300 peak 117 spectrum 1 weight 0.11000E+01 volume 0.59238E-02 ppm1 7.955 ppm2 1.707 CV 1 OR { 117} (( segid " " and resid 176 and name HN )) (( segid " " and resid 175 and name HB2 )) ASSI { 118} (( segid " " and resid 176 and name HN )) ( segid " " and resid 172 and name HD2%) 3.900 3.900 2.100 peak 118 spectrum 1 weight 0.11000E+01 volume 0.12450E-02 ppm1 7.956 ppm2 1.051 CV 1 OR { 118} (( segid " " and resid 76 and name HN )) ( segid " " and resid 72 and name HD2%) ASSI { 119} (( segid " " and resid 176 and name HN )) (( segid " " and resid 175 and name HB1 )) 2.900 1.100 1.100 peak 119 spectrum 1 weight 0.11000E+01 volume 0.37272E-02 ppm1 7.954 ppm2 0.781 CV 1 OR { 119} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB1 )) ASSI { 124} (( segid " " and resid 143 and name HN )) (( segid " " and resid 143 and name HA )) 2.500 0.800 0.800 peak 124 spectrum 1 weight 0.11000E+01 volume 0.48553E-02 ppm1 8.819 ppm2 3.885 CV 1 OR { 124} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 128} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HG1 )) 4.400 2.400 1.600 peak 128 spectrum 1 weight 0.11000E+01 volume 0.10547E-02 ppm1 8.818 ppm2 1.458 CV 1 OR { 128} (( segid " " and resid 143 and name HN )) (( segid " " and resid 145 and name HG1 )) OR { 128} (( segid " " and resid 43 and name HN )) (( segid " " and resid 133 and name HG2 )) OR { 128} (( segid " " and resid 143 and name HN )) (( segid " " and resid 33 and name HG2 )) OR { 128} (( segid " " and resid 43 and name HN )) (( segid " " and resid 135 and name HD1 )) OR { 128} (( segid " " and resid 43 and name HN )) (( segid " " and resid 135 and name HB2 )) OR { 128} (( segid " " and resid 143 and name HN )) (( segid " " and resid 33 and name HG1 )) OR { 128} (( segid " " and resid 43 and name HN )) (( segid " " and resid 133 and name HG1 )) OR { 128} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HG2 )) OR { 128} (( segid " " and resid 143 and name HN )) (( segid " " and resid 145 and name HG2 )) ASSI { 131} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA )) 2.100 0.500 0.500 peak 131 spectrum 1 weight 0.11000E+01 volume 0.10829E-01 ppm1 8.818 ppm2 4.803 CV 1 OR { 131} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 137} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HB2 )) 2.400 0.700 0.700 peak 137 spectrum 1 weight 0.11000E+01 volume 0.92126E-02 ppm1 8.401 ppm2 1.748 CV 1 OR { 137} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB1 )) ASSI { 138} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG2 )) 4.200 2.200 1.800 peak 138 spectrum 1 weight 0.11000E+01 volume 0.93814E-03 ppm1 8.401 ppm2 1.421 CV 1 OR { 138} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HG2 )) ASSI { 146} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.700 0.900 0.900 peak 146 spectrum 1 weight 0.11000E+01 volume 0.45852E-02 ppm1 8.458 ppm2 1.812 CV 1 OR { 146} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB2 )) OR { 146} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB1 )) OR { 146} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB1 )) ASSI { 158} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 1.800 0.400 0.400 peak 158 spectrum 1 weight 0.11000E+01 volume 0.35149E-01 ppm1 8.392 ppm2 4.109 CV 1 OR { 158} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) ASSI { 159} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB )) 2.600 0.800 0.800 peak 159 spectrum 1 weight 0.11000E+01 volume 0.88432E-02 ppm1 8.391 ppm2 2.061 CV 1 OR { 159} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB )) OR { 159} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB )) OR { 159} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB )) ASSI { 160} (( segid " " and resid 125 and name HN )) ( segid " " and resid 124 and name HG1%) 2.800 1.000 1.000 peak 160 spectrum 1 weight 0.11000E+01 volume 0.11677E-01 ppm1 8.391 ppm2 0.927 CV 1 OR { 160} (( segid " " and resid 25 and name HN )) ( segid " " and resid 24 and name HG2%) ASSI { 173} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HB1 )) 3.200 1.300 1.300 peak 173 spectrum 1 weight 0.11000E+01 volume 0.70533E-02 ppm1 9.191 ppm2 2.463 CV 1 OR { 173} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB1 )) OR { 173} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HB2 )) OR { 173} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB2 )) ASSI { 182} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) 2.400 0.700 0.700 peak 182 spectrum 1 weight 0.11000E+01 volume 0.84974E-02 ppm1 8.335 ppm2 4.267 CV 1 OR { 182} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HA )) ASSI { 203} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HA )) 2.400 0.700 0.700 peak 203 spectrum 1 weight 0.11000E+01 volume 0.62902E-02 ppm1 7.652 ppm2 4.419 CV 1 OR { 203} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) ASSI { 204} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB )) 2.400 0.700 0.700 peak 204 spectrum 1 weight 0.11000E+01 volume 0.42722E-02 ppm1 7.652 ppm2 4.075 CV 1 OR { 204} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB )) ASSI { 207} (( segid " " and resid 162 and name HN )) (( segid " " and resid 162 and name HB1 )) 2.900 1.100 1.100 peak 207 spectrum 1 weight 0.11000E+01 volume 0.68460E-02 ppm1 7.651 ppm2 2.583 CV 1 OR { 207} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB1 )) ASSI { 208} (( segid " " and resid 162 and name HN )) (( segid " " and resid 160 and name HB )) 4.700 2.800 1.300 peak 208 spectrum 1 weight 0.11000E+01 volume 0.79812E-03 ppm1 7.654 ppm2 1.633 CV 1 OR { 208} (( segid " " and resid 62 and name HN )) (( segid " " and resid 60 and name HB )) ASSI { 209} (( segid " " and resid 62 and name HN )) ( segid " " and resid 61 and name HG2%) 3.300 1.300 1.300 peak 209 spectrum 1 weight 0.11000E+01 volume 0.53045E-02 ppm1 7.651 ppm2 1.255 CV 1 OR { 209} (( segid " " and resid 162 and name HN )) ( segid " " and resid 161 and name HG2%) ASSI { 215} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HB2 )) 2.200 0.600 0.600 peak 215 spectrum 1 weight 0.11000E+01 volume 0.14381E-01 ppm1 8.465 ppm2 2.459 CV 1 OR { 215} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB2 )) OR { 215} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HB1 )) OR { 215} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB1 )) ASSI { 225} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 2.000 0.500 0.500 peak 225 spectrum 1 weight 0.11000E+01 volume 0.26625E-01 ppm1 8.395 ppm2 4.298 CV 1 OR { 225} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) ASSI { 227} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG1 )) 3.200 1.300 1.300 peak 227 spectrum 1 weight 0.11000E+01 volume 0.29482E-02 ppm1 8.395 ppm2 1.420 CV 1 OR { 227} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG2 )) OR { 227} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HG1 )) ASSI { 232} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB2 )) 1.900 0.400 0.400 peak 232 spectrum 1 weight 0.11000E+01 volume 0.15699E-01 ppm1 8.513 ppm2 3.321 CV 1 OR { 232} (( segid " " and resid 171 and name HN )) (( segid " " and resid 171 and name HB2 )) OR { 232} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB1 )) OR { 232} (( segid " " and resid 171 and name HN )) (( segid " " and resid 171 and name HB1 )) ASSI { 238} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.400 0.700 0.700 peak 238 spectrum 1 weight 0.11000E+01 volume 0.58172E-02 ppm1 7.714 ppm2 2.577 CV 1 OR { 238} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB2 )) ASSI { 239} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB1 )) 2.800 1.000 1.000 peak 239 spectrum 1 weight 0.11000E+01 volume 0.54496E-02 ppm1 7.716 ppm2 2.323 CV 1 OR { 239} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB1 )) ASSI { 241} (( segid " " and resid 140 and name HN )) ( segid " " and resid 61 and name HG2%) 3.200 1.200 1.200 peak 241 spectrum 1 weight 0.11000E+01 volume 0.35722E-02 ppm1 7.715 ppm2 1.256 CV 1 OR { 241} (( segid " " and resid 40 and name HN )) ( segid " " and resid 161 and name HG2%) ASSI { 242} (( segid " " and resid 140 and name HN )) ( segid " " and resid 139 and name HG1%) 2.200 0.600 0.600 peak 242 spectrum 1 weight 0.11000E+01 volume 0.64062E-02 ppm1 7.714 ppm2 0.751 CV 1 OR { 242} (( segid " " and resid 40 and name HN )) ( segid " " and resid 39 and name HG1%) ASSI { 245} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HN )) 2.500 0.800 0.800 peak 245 spectrum 1 weight 0.11000E+01 volume 0.35337E-02 ppm1 8.513 ppm2 9.437 CV 1 OR { 245} (( segid " " and resid 171 and name HN )) (( segid " " and resid 172 and name HN )) ASSI { 247} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HA )) 3.000 1.100 1.100 peak 247 spectrum 1 weight 0.11000E+01 volume 0.34354E-02 ppm1 8.514 ppm2 4.483 CV 1 OR { 247} (( segid " " and resid 171 and name HN )) (( segid " " and resid 170 and name HA )) ASSI { 248} (( segid " " and resid 171 and name HN )) ( segid " " and resid 67 and name HD2%) 3.600 1.600 1.600 peak 248 spectrum 1 weight 0.11000E+01 volume 0.33229E-02 ppm1 8.513 ppm2 1.063 CV 1 OR { 248} (( segid " " and resid 71 and name HN )) ( segid " " and resid 167 and name HD1%) ASSI { 249} (( segid " " and resid 71 and name HN )) ( segid " " and resid 167 and name HD2%) 3.600 1.600 1.600 peak 249 spectrum 1 weight 0.11000E+01 volume 0.35431E-02 ppm1 8.513 ppm2 0.566 CV 1 OR { 249} (( segid " " and resid 171 and name HN )) ( segid " " and resid 67 and name HD1%) ASSI { 258} (( segid " " and resid 104 and name HN )) (( segid " " and resid 105 and name HN )) 4.900 3.000 1.100 peak 258 spectrum 1 weight 0.11000E+01 volume 0.15353E-03 ppm1 8.578 ppm2 8.441 CV 1 OR { 258} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HN )) ASSI { 271} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB2 )) 2.800 1.000 1.000 peak 271 spectrum 1 weight 0.11000E+01 volume 0.43174E-02 ppm1 8.728 ppm2 1.630 CV 1 OR { 271} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB1 )) ASSI { 289} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 2.800 1.000 1.000 peak 289 spectrum 1 weight 0.11000E+01 volume 0.34903E-02 ppm1 8.501 ppm2 4.532 CV 1 OR { 289} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) ASSI { 290} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 2.000 0.500 0.500 peak 290 spectrum 1 weight 0.11000E+01 volume 0.18665E-01 ppm1 8.502 ppm2 4.293 CV 1 OR { 290} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA )) ASSI { 291} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB2 )) 2.400 0.700 0.700 peak 291 spectrum 1 weight 0.11000E+01 volume 0.94408E-02 ppm1 8.502 ppm2 1.977 CV 1 OR { 291} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB2 )) OR { 291} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB1 )) OR { 291} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB1 )) ASSI { 292} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB2 )) 3.300 1.400 1.400 peak 292 spectrum 1 weight 0.11000E+01 volume 0.31000E-02 ppm1 8.503 ppm2 1.778 CV 1 OR { 292} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB2 )) OR { 292} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB1 )) OR { 292} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB1 )) ASSI { 294} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HG1 )) 4.300 2.300 1.700 peak 294 spectrum 1 weight 0.11000E+01 volume 0.59799E-03 ppm1 8.499 ppm2 2.506 CV 1 OR { 294} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HG1 )) OR { 294} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HG2 )) OR { 294} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HG2 )) ASSI { 310} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HA )) 2.500 0.800 0.800 peak 310 spectrum 1 weight 0.11000E+01 volume 0.43027E-02 ppm1 9.214 ppm2 4.803 CV 1 OR { 310} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 311} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB1 )) 2.800 1.000 1.000 peak 311 spectrum 1 weight 0.11000E+01 volume 0.35886E-02 ppm1 9.214 ppm2 3.229 CV 1 OR { 311} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) ASSI { 312} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB1 )) 2.600 0.800 0.800 peak 312 spectrum 1 weight 0.11000E+01 volume 0.11906E-01 ppm1 9.214 ppm2 2.822 CV 1 OR { 312} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HB1 )) OR { 312} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB1 )) ASSI { 337} (( segid " " and resid 41 and name HN )) ( segid " " and resid 137 and name HG2%) 2.800 2.800 3.200 peak 337 spectrum 1 weight 0.11000E+01 volume 0.47842E-02 ppm1 9.072 ppm2 0.700 CV 1 OR { 337} (( segid " " and resid 141 and name HN )) ( segid " " and resid 37 and name HG2%) OR { 337} (( segid " " and resid 141 and name HN )) ( segid " " and resid 34 and name HG2%) OR { 337} (( segid " " and resid 41 and name HN )) ( segid " " and resid 134 and name HG2%) ASSI { 348} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB )) 2.100 0.500 0.500 peak 348 spectrum 1 weight 0.11000E+01 volume 0.20452E-01 ppm1 8.231 ppm2 1.746 CV 1 OR { 348} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HB )) OR { 348} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB1 )) ASSI { 352} (( segid " " and resid 134 and name HN )) ( segid " " and resid 134 and name HG2%) 3.200 1.200 1.200 peak 352 spectrum 1 weight 0.11000E+01 volume 0.89560E-02 ppm1 8.230 ppm2 0.715 CV 1 OR { 352} (( segid " " and resid 34 and name HN )) ( segid " " and resid 34 and name HG2%) ASSI { 357} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HG1 )) 3.400 1.400 1.400 peak 357 spectrum 1 weight 0.11000E+01 volume 0.47657E-02 ppm1 7.894 ppm2 1.881 CV 1 OR { 357} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HG1 )) OR { 357} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HG2 )) OR { 357} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HG2 )) ASSI { 360} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB2 )) 2.200 0.600 0.600 peak 360 spectrum 1 weight 0.11000E+01 volume 0.78752E-02 ppm1 9.064 ppm2 3.231 CV 1 OR { 360} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB1 )) ASSI { 362} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB2 )) 3.100 1.200 1.200 peak 362 spectrum 1 weight 0.11000E+01 volume 0.34888E-02 ppm1 7.893 ppm2 2.792 CV 1 OR { 362} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB2 )) ASSI { 363} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB1 )) 2.500 0.800 0.800 peak 363 spectrum 1 weight 0.11000E+01 volume 0.51795E-02 ppm1 7.894 ppm2 2.231 CV 1 OR { 363} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HB1 )) ASSI { 364} (( segid " " and resid 49 and name HN )) ( segid " " and resid 49 and name HD% ) 3.200 1.200 1.200 peak 364 spectrum 1 weight 0.11000E+01 volume 0.34515E-02 ppm1 9.062 ppm2 6.951 CV 1 OR { 364} (( segid " " and resid 149 and name HN )) ( segid " " and resid 149 and name HD% ) ASSI { 374} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB2 )) 2.600 0.800 0.800 peak 374 spectrum 1 weight 0.11000E+01 volume 0.51651E-02 ppm1 8.397 ppm2 1.737 CV 1 OR { 374} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB1 )) ASSI { 376} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 2.400 0.700 0.700 peak 376 spectrum 1 weight 0.11000E+01 volume 0.10153E-01 ppm1 8.396 ppm2 4.688 CV 1 OR { 376} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HA )) ASSI { 400} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB2 )) 2.100 0.600 0.600 peak 400 spectrum 1 weight 0.11000E+01 volume 0.15242E-01 ppm1 8.089 ppm2 1.632 CV 1 OR { 400} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB2 )) OR { 400} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB1 )) OR { 400} (( segid " " and resid 121 and name HN )) (( segid " " and resid 121 and name HB1 )) ASSI { 401} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HN )) 2.800 1.000 1.000 peak 401 spectrum 1 weight 0.11000E+01 volume 0.31491E-02 ppm1 8.088 ppm2 8.385 CV 1 OR { 401} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HN )) ASSI { 406} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HN )) 2.400 0.700 0.700 peak 406 spectrum 1 weight 0.11000E+01 volume 0.53418E-02 ppm1 8.268 ppm2 7.807 CV 1 OR { 406} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HN )) ASSI { 407} (( segid " " and resid 52 and name HN )) ( segid " " and resid 49 and name HD% ) 6.000 6.000 0.000 peak 407 spectrum 1 weight 0.11000E+01 volume 0.54775E-04 ppm1 8.266 ppm2 6.965 CV 1 OR { 407} (( segid " " and resid 152 and name HN )) ( segid " " and resid 149 and name HD% ) ASSI { 408} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HA )) 2.400 0.700 0.700 peak 408 spectrum 1 weight 0.11000E+01 volume 0.68704E-02 ppm1 8.268 ppm2 4.284 CV 1 OR { 408} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA )) ASSI { 410} (( segid " " and resid 152 and name HN )) ( segid " " and resid 151 and name HB% ) 2.300 0.700 0.700 peak 410 spectrum 1 weight 0.11000E+01 volume 0.10296E-01 ppm1 8.268 ppm2 1.547 CV 1 OR { 410} (( segid " " and resid 52 and name HN )) ( segid " " and resid 51 and name HB% ) ASSI { 414} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HN )) 2.300 0.700 0.700 peak 414 spectrum 1 weight 0.11000E+01 volume 0.47772E-02 ppm1 7.914 ppm2 8.840 CV 1 OR { 414} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HN )) ASSI { 427} (( segid " " and resid 69 and name HN )) (( segid " " and resid 66 and name HA )) 3.000 1.100 1.100 peak 427 spectrum 1 weight 0.11000E+01 volume 0.26478E-02 ppm1 8.182 ppm2 4.149 CV 1 OR { 427} (( segid " " and resid 169 and name HN )) (( segid " " and resid 166 and name HA )) ASSI { 439} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB2 )) 2.200 0.600 0.600 peak 439 spectrum 1 weight 0.11000E+01 volume 0.14582E-01 ppm1 8.344 ppm2 1.772 CV 1 OR { 439} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB1 )) ASSI { 440} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG1 )) 2.800 1.000 1.000 peak 440 spectrum 1 weight 0.11000E+01 volume 0.76664E-02 ppm1 8.344 ppm2 1.450 CV 1 OR { 440} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HG1 )) OR { 440} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG2 )) OR { 440} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HG2 )) ASSI { 447} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HD2 )) 6.000 6.000 0.000 peak 447 spectrum 1 weight 0.11000E+01 volume 0.17460E-04 ppm1 8.027 ppm2 3.370 CV 1 OR { 447} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HD1 )) ASSI { 471} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HN )) 2.100 0.600 0.600 peak 471 spectrum 1 weight 0.11000E+01 volume 0.83153E-02 ppm1 9.064 ppm2 9.064 CV 1 OR { 471} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HN )) ASSI { 488} (( segid " " and resid 51 and name HN )) ( segid " " and resid 51 and name HB% ) 2.200 0.600 0.600 peak 488 spectrum 1 weight 0.11000E+01 volume 0.11331E-01 ppm1 7.803 ppm2 1.547 CV 1 OR { 488} (( segid " " and resid 151 and name HN )) ( segid " " and resid 151 and name HB% ) ASSI { 491} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HB2 )) 2.400 0.700 0.700 peak 491 spectrum 1 weight 0.11000E+01 volume 0.53853E-02 ppm1 8.667 ppm2 1.914 CV 1 OR { 491} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB2 )) OR { 491} (( segid " " and resid 68 and name HN )) (( segid " " and resid 167 and name HB2 )) OR { 491} (( segid " " and resid 168 and name HN )) (( segid " " and resid 67 and name HB2 )) OR { 491} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HB1 )) OR { 491} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB1 )) OR { 491} (( segid " " and resid 68 and name HN )) (( segid " " and resid 167 and name HB1 )) ASSI { 513} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 2.300 0.600 0.600 peak 513 spectrum 1 weight 0.11000E+01 volume 0.11552E-01 ppm1 8.256 ppm2 4.263 CV 1 OR { 513} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA )) ASSI { 532} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB2 )) 2.900 1.000 1.000 peak 532 spectrum 1 weight 0.11000E+01 volume 0.34635E-02 ppm1 8.580 ppm2 2.776 CV 1 OR { 532} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB1 )) ASSI { 553} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 2.600 0.800 0.800 peak 553 spectrum 1 weight 0.11000E+01 volume 0.52467E-02 ppm1 8.463 ppm2 4.537 CV 1 OR { 553} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HA )) ASSI { 568} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HG1 )) 3.200 1.200 1.200 peak 568 spectrum 1 weight 0.11000E+01 volume 0.50928E-02 ppm1 8.711 ppm2 2.393 CV 1 OR { 568} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HG2 )) ASSI { 569} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HB2 )) 1.900 0.400 0.400 peak 569 spectrum 1 weight 0.11000E+01 volume 0.22028E-01 ppm1 8.711 ppm2 2.162 CV 1 OR { 569} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB2 )) OR { 569} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HB1 )) OR { 569} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB1 )) ASSI { 571} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 2.300 0.600 0.600 peak 571 spectrum 1 weight 0.11000E+01 volume 0.58513E-02 ppm1 8.575 ppm2 4.157 CV 1 OR { 571} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA )) ASSI { 585} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HN )) 5.400 3.700 0.600 peak 585 spectrum 1 weight 0.11000E+01 volume 0.20655E-03 ppm1 8.260 ppm2 8.420 CV 1 OR { 585} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HN )) ASSI { 597} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HA )) 2.000 0.500 0.500 peak 597 spectrum 1 weight 0.11000E+01 volume 0.22967E-01 ppm1 8.631 ppm2 4.534 CV 1 OR { 597} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) OR { 597} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) ASSI { 598} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB2 )) 2.400 0.700 0.700 peak 598 spectrum 1 weight 0.11000E+01 volume 0.11748E-01 ppm1 8.631 ppm2 3.929 CV 1 OR { 598} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB2 )) OR { 598} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 599} (( segid " " and resid 131 and name HN )) ( segid " " and resid 129 and name HG1%) 5.000 3.200 1.000 peak 599 spectrum 1 weight 0.11000E+01 volume 0.17997E-04 ppm1 8.632 ppm2 0.963 CV 1 OR { 599} (( segid " " and resid 31 and name HN )) ( segid " " and resid 29 and name HG1%) OR { 599} (( segid " " and resid 131 and name HN )) ( segid " " and resid 129 and name HG2%) ASSI { 606} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HA )) 2.300 0.700 0.700 peak 606 spectrum 1 weight 0.11000E+01 volume 0.88755E-02 ppm1 8.001 ppm2 4.145 CV 1 OR { 606} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) ASSI { 609} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HB2 )) 2.200 0.600 0.600 peak 609 spectrum 1 weight 0.11000E+01 volume 0.11888E-01 ppm1 8.001 ppm2 1.931 CV 1 OR { 609} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HG1 )) OR { 609} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG1 )) OR { 609} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB1 )) OR { 609} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HG2 )) ASSI { 611} (( segid " " and resid 155 and name HN )) ( segid " " and resid 154 and name HB% ) 2.600 0.800 0.800 peak 611 spectrum 1 weight 0.11000E+01 volume 0.88127E-02 ppm1 8.001 ppm2 1.532 CV 1 OR { 611} (( segid " " and resid 55 and name HN )) ( segid " " and resid 54 and name HB% ) ASSI { 613} (( segid " " and resid 146 and name HN )) (( segid " " and resid 147 and name HN )) 2.600 0.800 0.800 peak 613 spectrum 1 weight 0.11000E+01 volume 0.34653E-02 ppm1 8.842 ppm2 8.713 CV 1 OR { 613} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HN )) ASSI { 615} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 2.300 0.600 0.600 peak 615 spectrum 1 weight 0.11000E+01 volume 0.68678E-02 ppm1 8.842 ppm2 3.869 CV 1 OR { 615} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HA )) ASSI { 617} (( segid " " and resid 146 and name HN )) (( segid " " and resid 141 and name HB1 )) 3.800 1.800 1.800 peak 617 spectrum 1 weight 0.11000E+01 volume 0.74797E-03 ppm1 8.843 ppm2 3.238 CV 1 OR { 617} (( segid " " and resid 46 and name HN )) (( segid " " and resid 41 and name HB2 )) ASSI { 619} (( segid " " and resid 46 and name HN )) (( segid " " and resid 41 and name HB1 )) 3.500 1.500 1.500 peak 619 spectrum 1 weight 0.11000E+01 volume 0.11784E-02 ppm1 8.844 ppm2 2.810 CV 1 OR { 619} (( segid " " and resid 146 and name HN )) (( segid " " and resid 141 and name HB2 )) ASSI { 620} (( segid " " and resid 46 and name HN )) (( segid " " and resid 44 and name HB1 )) 3.000 1.100 1.100 peak 620 spectrum 1 weight 0.11000E+01 volume 0.26956E-02 ppm1 8.843 ppm2 2.167 CV 1 OR { 620} (( segid " " and resid 146 and name HN )) (( segid " " and resid 144 and name HB1 )) ASSI { 622} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HG1 )) 4.700 2.800 1.300 peak 622 spectrum 1 weight 0.11000E+01 volume 0.38778E-03 ppm1 8.841 ppm2 1.474 CV 1 OR { 622} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HG1 )) OR { 622} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HG2 )) OR { 622} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HG2 )) ASSI { 625} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HA )) 2.800 1.000 1.000 peak 625 spectrum 1 weight 0.11000E+01 volume 0.32187E-02 ppm1 8.581 ppm2 4.257 CV 1 OR { 625} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) ASSI { 641} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HN )) 2.300 0.600 0.600 peak 641 spectrum 1 weight 0.11000E+01 volume 0.58844E-02 ppm1 7.710 ppm2 8.516 CV 1 OR { 641} (( segid " " and resid 170 and name HN )) (( segid " " and resid 171 and name HN )) ASSI { 645} (( segid " " and resid 70 and name HN )) (( segid " " and resid 67 and name HA )) 2.500 0.800 0.800 peak 645 spectrum 1 weight 0.11000E+01 volume 0.50514E-02 ppm1 7.709 ppm2 4.161 CV 1 OR { 645} (( segid " " and resid 170 and name HN )) (( segid " " and resid 167 and name HA )) ASSI { 646} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HA )) 2.700 2.700 3.300 peak 646 spectrum 1 weight 0.11000E+01 volume 0.35604E-02 ppm1 7.709 ppm2 3.315 CV 1 OR { 646} (( segid " " and resid 170 and name HN )) (( segid " " and resid 168 and name HA )) ASSI { 647} (( segid " " and resid 170 and name HN )) (( segid " " and resid 169 and name HB2 )) 2.100 0.500 0.500 peak 647 spectrum 1 weight 0.11000E+01 volume 0.19465E-01 ppm1 7.710 ppm2 2.977 CV 1 OR { 647} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB2 )) ASSI { 649} (( segid " " and resid 70 and name HN )) (( segid " " and resid 67 and name HG )) 3.800 1.800 1.800 peak 649 spectrum 1 weight 0.11000E+01 volume 0.11013E-02 ppm1 7.711 ppm2 1.979 CV 1 OR { 649} (( segid " " and resid 70 and name HN )) (( segid " " and resid 167 and name HG )) OR { 649} (( segid " " and resid 170 and name HN )) (( segid " " and resid 67 and name HG )) ASSI { 651} (( segid " " and resid 70 and name HN )) ( segid " " and resid 167 and name HD2%) 5.000 3.100 1.000 peak 651 spectrum 1 weight 0.11000E+01 volume 0.35308E-03 ppm1 7.710 ppm2 0.569 CV 1 OR { 651} (( segid " " and resid 170 and name HN )) ( segid " " and resid 67 and name HD1%) OR { 651} (( segid " " and resid 70 and name HN )) ( segid " " and resid 67 and name HD1%) ASSI { 656} (( segid " " and resid 173 and name HN )) (( segid " " and resid 171 and name HA )) 3.900 1.900 1.900 peak 656 spectrum 1 weight 0.11000E+01 volume 0.58962E-03 ppm1 7.457 ppm2 4.213 CV 1 OR { 656} (( segid " " and resid 73 and name HN )) (( segid " " and resid 71 and name HA )) ASSI { 659} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HG1 )) 5.800 4.200 0.200 peak 659 spectrum 1 weight 0.11000E+01 volume 0.28897E-03 ppm1 7.457 ppm2 2.303 CV 1 OR { 659} (( segid " " and resid 173 and name HN )) (( segid " " and resid 174 and name HG1 )) OR { 659} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HG2 )) OR { 659} (( segid " " and resid 173 and name HN )) (( segid " " and resid 174 and name HG2 )) ASSI { 661} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HN )) 2.300 0.700 0.700 peak 661 spectrum 1 weight 0.11000E+01 volume 0.47340E-02 ppm1 7.456 ppm2 9.437 CV 1 OR { 661} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HN )) ASSI { 665} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HA )) 2.900 1.000 1.000 peak 665 spectrum 1 weight 0.11000E+01 volume 0.30945E-02 ppm1 7.456 ppm2 4.485 CV 1 OR { 665} (( segid " " and resid 173 and name HN )) (( segid " " and resid 170 and name HA )) ASSI { 669} (( segid " " and resid 173 and name HN )) (( segid " " and resid 173 and name HG2 )) 3.000 1.100 1.100 peak 669 spectrum 1 weight 0.11000E+01 volume 0.51847E-02 ppm1 7.456 ppm2 1.516 CV 1 OR { 669} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HG2 )) ASSI { 674} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HN )) 2.400 0.700 0.700 peak 674 spectrum 1 weight 0.11000E+01 volume 0.31053E-02 ppm1 8.928 ppm2 8.241 CV 1 OR { 674} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HN )) ASSI { 682} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HG2%) 2.000 0.500 0.500 peak 682 spectrum 1 weight 0.11000E+01 volume 0.91513E-02 ppm1 8.930 ppm2 1.130 CV 1 OR { 682} (( segid " " and resid 164 and name HN )) ( segid " " and resid 164 and name HG1%) ASSI { 687} (( segid " " and resid 164 and name HN )) ( segid " " and resid 163 and name HG2%) 2.900 1.000 1.000 peak 687 spectrum 1 weight 0.11000E+01 volume 0.33822E-02 ppm1 8.929 ppm2 -0.211 CV 1 OR { 687} (( segid " " and resid 64 and name HN )) ( segid " " and resid 63 and name HG1%) ASSI { 694} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA )) 2.400 0.700 0.700 peak 694 spectrum 1 weight 0.11000E+01 volume 0.53318E-02 ppm1 8.866 ppm2 4.955 CV 1 OR { 694} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HA )) ASSI { 697} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB )) 3.200 1.300 1.300 peak 697 spectrum 1 weight 0.11000E+01 volume 0.35208E-02 ppm1 8.867 ppm2 3.968 CV 1 OR { 697} (( segid " " and resid 159 and name HN )) (( segid " " and resid 158 and name HB )) ASSI { 698} (( segid " " and resid 159 and name HN )) (( segid " " and resid 162 and name HB2 )) 2.300 0.700 0.700 peak 698 spectrum 1 weight 0.11000E+01 volume 0.51595E-02 ppm1 8.868 ppm2 2.707 CV 1 OR { 698} (( segid " " and resid 59 and name HN )) (( segid " " and resid 62 and name HB2 )) ASSI { 699} (( segid " " and resid 159 and name HN )) (( segid " " and resid 162 and name HB1 )) 3.100 1.200 1.200 peak 699 spectrum 1 weight 0.11000E+01 volume 0.37340E-02 ppm1 8.866 ppm2 2.584 CV 1 OR { 699} (( segid " " and resid 59 and name HN )) (( segid " " and resid 62 and name HB1 )) ASSI { 700} (( segid " " and resid 59 and name HN )) ( segid " " and resid 58 and name HG2%) 2.800 1.000 1.000 peak 700 spectrum 1 weight 0.11000E+01 volume 0.74383E-02 ppm1 8.867 ppm2 1.173 CV 1 OR { 700} (( segid " " and resid 159 and name HN )) ( segid " " and resid 158 and name HG2%) ASSI { 701} (( segid " " and resid 59 and name HN )) ( segid " " and resid 63 and name HG2%) 3.300 3.300 2.700 peak 701 spectrum 1 weight 0.11000E+01 volume 0.31902E-02 ppm1 8.866 ppm2 0.824 CV 1 OR { 701} (( segid " " and resid 159 and name HN )) ( segid " " and resid 163 and name HG1%) ASSI { 707} (( segid " " and resid 147 and name HN )) (( segid " " and resid 149 and name HN )) 5.800 4.300 0.200 peak 707 spectrum 1 weight 0.11000E+01 volume 0.55750E-04 ppm1 8.714 ppm2 9.065 CV 1 OR { 707} (( segid " " and resid 47 and name HN )) (( segid " " and resid 49 and name HN )) ASSI { 710} (( segid " " and resid 147 and name HN )) (( segid " " and resid 148 and name HN )) 2.400 0.800 0.800 peak 710 spectrum 1 weight 0.11000E+01 volume 0.46101E-02 ppm1 8.713 ppm2 8.029 CV 1 OR { 710} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HN )) ASSI { 713} (( segid " " and resid 47 and name HN )) (( segid " " and resid 44 and name HA )) 2.800 1.000 1.000 peak 713 spectrum 1 weight 0.11000E+01 volume 0.35645E-02 ppm1 8.712 ppm2 4.176 CV 1 OR { 713} (( segid " " and resid 147 and name HN )) (( segid " " and resid 144 and name HA )) ASSI { 714} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HA )) 2.900 1.000 1.000 peak 714 spectrum 1 weight 0.11000E+01 volume 0.32307E-02 ppm1 8.713 ppm2 3.873 CV 1 OR { 714} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 716} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB1 )) 2.400 0.700 0.700 peak 716 spectrum 1 weight 0.11000E+01 volume 0.36779E-02 ppm1 8.712 ppm2 3.366 CV 1 OR { 716} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB1 )) ASSI { 723} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HN )) 2.400 0.700 0.700 peak 723 spectrum 1 weight 0.11000E+01 volume 0.35073E-02 ppm1 7.910 ppm2 8.931 CV 1 OR { 723} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HN )) ASSI { 726} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HD21)) 3.500 1.500 1.500 peak 726 spectrum 1 weight 0.11000E+01 volume 0.31156E-02 ppm1 7.909 ppm2 7.423 CV 1 OR { 726} (( segid " " and resid 165 and name HN )) (( segid " " and resid 165 and name HD22)) ASSI { 727} (( segid " " and resid 65 and name HN )) ( segid " " and resid 141 and name HE% ) 3.100 3.100 2.900 peak 727 spectrum 1 weight 0.11000E+01 volume 0.32310E-02 ppm1 7.911 ppm2 6.949 CV 1 OR { 727} (( segid " " and resid 165 and name HN )) ( segid " " and resid 41 and name HE% ) ASSI { 732} (( segid " " and resid 165 and name HN )) (( segid " " and resid 165 and name HB2 )) 2.100 0.600 0.600 peak 732 spectrum 1 weight 0.11000E+01 volume 0.58836E-02 ppm1 7.911 ppm2 2.651 CV 1 OR { 732} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB2 )) ASSI { 733} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB )) 2.300 0.700 0.700 peak 733 spectrum 1 weight 0.11000E+01 volume 0.30087E-02 ppm1 7.910 ppm2 2.092 CV 1 OR { 733} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HB )) ASSI { 741} (( segid " " and resid 175 and name HD22)) (( segid " " and resid 175 and name HD21)) 1.800 0.400 0.400 peak 741 spectrum 1 weight 0.11000E+01 volume 0.73335E-02 ppm1 6.049 ppm2 6.712 CV 1 OR { 741} (( segid " " and resid 75 and name HD22)) (( segid " " and resid 75 and name HD21)) ASSI { 748} (( segid " " and resid 153 and name HN )) (( segid " " and resid 153 and name HB1 )) 2.500 0.800 0.800 peak 748 spectrum 1 weight 0.11000E+01 volume 0.42422E-02 ppm1 8.440 ppm2 2.241 CV 1 OR { 748} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB1 )) ASSI { 749} (( segid " " and resid 156 and name HN )) (( segid " " and resid 157 and name HN )) 2.000 0.500 0.500 peak 749 spectrum 1 weight 0.11000E+01 volume 0.99329E-02 ppm1 7.532 ppm2 7.905 CV 1 OR { 749} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HN )) ASSI { 754} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HG2 )) 2.100 0.500 0.500 peak 754 spectrum 1 weight 0.11000E+01 volume 0.14892E-01 ppm1 7.531 ppm2 1.695 CV 1 OR { 754} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HG2 )) OR { 754} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HG1 )) OR { 754} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HG1 )) ASSI { 760} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HA )) 3.600 1.600 1.600 peak 760 spectrum 1 weight 0.11000E+01 volume 0.13194E-02 ppm1 8.439 ppm2 4.258 CV 1 OR { 760} (( segid " " and resid 153 and name HN )) (( segid " " and resid 151 and name HA )) ASSI { 764} (( segid " " and resid 153 and name HN )) (( segid " " and resid 150 and name HD2 )) 2.700 2.700 3.300 peak 764 spectrum 1 weight 0.11000E+01 volume 0.38746E-02 ppm1 8.440 ppm2 1.540 CV 1 OR { 764} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HD2 )) ASSI { 767} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HA )) 2.100 0.500 0.500 peak 767 spectrum 1 weight 0.11000E+01 volume 0.17391E-01 ppm1 8.233 ppm2 4.819 CV 1 OR { 767} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) ASSI { 768} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HN )) 2.100 0.600 0.600 peak 768 spectrum 1 weight 0.11000E+01 volume 0.81849E-02 ppm1 7.532 ppm2 8.006 CV 1 OR { 768} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HN )) ASSI { 769} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB2 )) 2.100 0.600 0.600 peak 769 spectrum 1 weight 0.11000E+01 volume 0.10884E-01 ppm1 7.532 ppm2 1.925 CV 1 OR { 769} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB1 )) ASSI { 771} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HA )) 2.700 0.900 0.900 peak 771 spectrum 1 weight 0.11000E+01 volume 0.46269E-02 ppm1 7.530 ppm2 4.136 CV 1 OR { 771} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) ASSI { 772} (( segid " " and resid 156 and name HN )) (( segid " " and resid 153 and name HA )) 2.500 0.800 0.800 peak 772 spectrum 1 weight 0.11000E+01 volume 0.46674E-02 ppm1 7.530 ppm2 3.974 CV 1 OR { 772} (( segid " " and resid 56 and name HN )) (( segid " " and resid 53 and name HA )) ASSI { 773} (( segid " " and resid 56 and name HN )) ( segid " " and resid 54 and name HB% ) 3.800 1.800 1.800 peak 773 spectrum 1 weight 0.11000E+01 volume 0.99807E-04 ppm1 7.529 ppm2 1.529 CV 1 OR { 773} (( segid " " and resid 156 and name HN )) ( segid " " and resid 154 and name HB% ) ASSI { 775} (( segid " " and resid 114 and name HN )) (( segid " " and resid 115 and name HN )) 4.300 2.300 1.700 peak 775 spectrum 1 weight 0.11000E+01 volume 0.77075E-03 ppm1 8.135 ppm2 8.421 CV 1 OR { 775} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HN )) ASSI { 796} (( segid " " and resid 175 and name HN )) (( segid " " and resid 172 and name HA )) 3.600 1.600 1.600 peak 796 spectrum 1 weight 0.11000E+01 volume 0.19581E-02 ppm1 7.497 ppm2 3.871 CV 1 OR { 796} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HA )) ASSI { 800} (( segid " " and resid 175 and name HN )) (( segid " " and resid 173 and name HB2 )) 1.800 1.800 4.200 peak 800 spectrum 1 weight 0.11000E+01 volume 0.95330E-02 ppm1 7.485 ppm2 1.973 CV 1 OR { 800} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HB2 )) OR { 800} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HB1 )) ASSI { 807} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HA )) 3.700 1.800 1.800 peak 807 spectrum 1 weight 0.11000E+01 volume 0.11820E-02 ppm1 7.484 ppm2 3.871 CV 1 OR { 807} (( segid " " and resid 175 and name HN )) (( segid " " and resid 172 and name HA )) ASSI { 818} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HN )) 2.500 0.800 0.800 peak 818 spectrum 1 weight 0.11000E+01 volume 0.88453E-02 ppm1 8.042 ppm2 7.894 CV 1 OR { 818} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HN )) ASSI { 819} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HA )) 2.600 0.800 0.800 peak 819 spectrum 1 weight 0.11000E+01 volume 0.49534E-02 ppm1 8.042 ppm2 4.955 CV 1 OR { 819} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) ASSI { 821} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA1 )) 2.600 0.800 0.800 peak 821 spectrum 1 weight 0.11000E+01 volume 0.14331E-01 ppm1 8.042 ppm2 3.975 CV 1 OR { 821} (( segid " " and resid 158 and name HN )) (( segid " " and resid 157 and name HA1 )) OR { 821} (( segid " " and resid 158 and name HN )) (( segid " " and resid 158 and name HB )) OR { 821} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HB )) ASSI { 835} (( segid " " and resid 61 and name HN )) ( segid " " and resid 61 and name HG2%) 3.100 1.200 1.200 peak 835 spectrum 1 weight 0.11000E+01 volume 0.68584E-02 ppm1 8.273 ppm2 1.258 CV 1 OR { 835} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HG12)) ASSI { 842} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG2 )) 3.100 1.200 1.200 peak 842 spectrum 1 weight 0.11000E+01 volume 0.48832E-02 ppm1 7.092 ppm2 2.301 CV 1 OR { 842} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HG2 )) OR { 842} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG1 )) OR { 842} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HG1 )) ASSI { 844} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HN )) 2.000 0.500 0.500 peak 844 spectrum 1 weight 0.11000E+01 volume 0.13623E-01 ppm1 7.090 ppm2 7.474 CV 1 OR { 844} (( segid " " and resid 174 and name HN )) (( segid " " and resid 173 and name HN )) OR { 844} (( segid " " and resid 174 and name HN )) (( segid " " and resid 175 and name HN )) OR { 844} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HN )) ASSI { 847} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB2 )) 2.000 0.500 0.500 peak 847 spectrum 1 weight 0.11000E+01 volume 0.11633E-01 ppm1 7.091 ppm2 1.774 CV 1 OR { 847} (( segid " " and resid 174 and name HN )) (( segid " " and resid 174 and name HB2 )) ASSI { 876} (( segid " " and resid 118 and name HD21)) (( segid " " and resid 118 and name HD22)) 2.000 0.500 0.500 peak 876 spectrum 1 weight 0.11000E+01 volume 0.92229E-02 ppm1 6.987 ppm2 7.671 CV 1 OR { 876} (( segid " " and resid 18 and name HD21)) (( segid " " and resid 18 and name HD22)) ASSI { 897} (( segid " " and resid 48 and name HE )) (( segid " " and resid 48 and name HA )) 6.000 6.000 0.000 peak 897 spectrum 1 weight 0.11000E+01 volume 0.57385E-04 ppm1 7.465 ppm2 4.140 CV 1 OR { 897} (( segid " " and resid 148 and name HE )) (( segid " " and resid 148 and name HA )) ASSI { 898} (( segid " " and resid 148 and name HE )) (( segid " " and resid 148 and name HD2 )) 2.400 0.700 0.700 peak 898 spectrum 1 weight 0.11000E+01 volume 0.47311E-02 ppm1 7.464 ppm2 3.380 CV 1 OR { 898} (( segid " " and resid 48 and name HE )) (( segid " " and resid 48 and name HD1 )) ASSI { 899} (( segid " " and resid 48 and name HE )) (( segid " " and resid 48 and name HD2 )) 2.300 0.600 0.600 peak 899 spectrum 1 weight 0.11000E+01 volume 0.67888E-02 ppm1 7.464 ppm2 3.258 CV 1 OR { 899} (( segid " " and resid 148 and name HE )) (( segid " " and resid 148 and name HD1 )) ASSI { 900} (( segid " " and resid 148 and name HE )) (( segid " " and resid 148 and name HB2 )) 3.300 1.400 1.400 peak 900 spectrum 1 weight 0.11000E+01 volume 0.38925E-02 ppm1 7.465 ppm2 2.112 CV 1 OR { 900} (( segid " " and resid 48 and name HE )) (( segid " " and resid 48 and name HB1 )) ASSI { 924} (( segid " " and resid 48 and name HE )) (( segid " " and resid 48 and name HG1 )) 2.500 0.800 0.800 peak 924 spectrum 1 weight 0.11000E+01 volume 0.64840E-02 ppm1 7.464 ppm2 1.935 CV 1 OR { 924} (( segid " " and resid 148 and name HE )) (( segid " " and resid 148 and name HG2 )) OR { 924} (( segid " " and resid 148 and name HE )) (( segid " " and resid 148 and name HB1 )) ASSI { 925} (( segid " " and resid 148 and name HE )) (( segid " " and resid 148 and name HG1 )) 2.600 0.900 0.900 peak 925 spectrum 1 weight 0.11000E+01 volume 0.33975E-02 ppm1 7.464 ppm2 1.659 CV 1 OR { 925} (( segid " " and resid 48 and name HE )) (( segid " " and resid 48 and name HG2 )) ASSI { 934} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 38 and name HD21)) 1.600 0.300 0.600 peak 934 spectrum 1 weight 0.11000E+01 volume 0.24010E-01 ppm1 6.619 ppm2 7.288 CV 1 OR { 934} (( segid " " and resid 138 and name HD21)) (( segid " " and resid 138 and name HD22)) ASSI { 944} (( segid " " and resid 138 and name HD21)) (( segid " " and resid 138 and name HB1 )) 2.600 0.800 0.800 peak 944 spectrum 1 weight 0.11000E+01 volume 0.80340E-02 ppm1 6.620 ppm2 2.446 CV 1 OR { 944} (( segid " " and resid 138 and name HD21)) (( segid " " and resid 138 and name HB2 )) OR { 944} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 38 and name HB1 )) OR { 944} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 38 and name HB2 )) ASSI { 945} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 136 and name HG2 )) 3.200 1.200 1.200 peak 945 spectrum 1 weight 0.11000E+01 volume 0.28483E-02 ppm1 6.619 ppm2 1.610 CV 1 OR { 945} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 136 and name HG1 )) OR { 945} (( segid " " and resid 138 and name HD21)) (( segid " " and resid 36 and name HG2 )) OR { 945} (( segid " " and resid 138 and name HD21)) (( segid " " and resid 36 and name HG1 )) ASSI { 957} (( segid " " and resid 170 and name HD22)) (( segid " " and resid 170 and name HD21)) 1.400 0.200 0.800 peak 957 spectrum 1 weight 0.11000E+01 volume 0.43277E-01 ppm1 7.091 ppm2 7.797 CV 1 OR { 957} (( segid " " and resid 70 and name HD22)) (( segid " " and resid 70 and name HD21)) ASSI { 959} (( segid " " and resid 170 and name HD22)) (( segid " " and resid 71 and name HA )) 2.800 2.800 3.200 peak 959 spectrum 1 weight 0.11000E+01 volume 0.57784E-03 ppm1 7.091 ppm2 4.167 CV 1 OR { 959} (( segid " " and resid 170 and name HD22)) (( segid " " and resid 171 and name HA )) ASSI { 961} (( segid " " and resid 170 and name HD22)) (( segid " " and resid 169 and name HB2 )) 3.500 1.500 1.500 peak 961 spectrum 1 weight 0.11000E+01 volume 0.39985E-02 ppm1 7.091 ppm2 2.982 CV 1 OR { 961} (( segid " " and resid 70 and name HD22)) (( segid " " and resid 69 and name HB2 )) ASSI { 963} (( segid " " and resid 70 and name HD22)) (( segid " " and resid 73 and name HN )) 3.700 3.700 2.300 peak 963 spectrum 1 weight 0.11000E+01 volume 0.19130E-03 ppm1 7.093 ppm2 7.448 CV 1 OR { 963} (( segid " " and resid 170 and name HD22)) (( segid " " and resid 173 and name HN )) OR { 963} (( segid " " and resid 70 and name HD22)) (( segid " " and resid 173 and name HN )) ASSI { 978} (( segid " " and resid 40 and name HD21)) ( segid " " and resid 134 and name HG2%) 3.000 3.000 3.000 peak 978 spectrum 1 weight 0.11000E+01 volume 0.36987E-03 ppm1 6.699 ppm2 0.715 CV 1 OR { 978} (( segid " " and resid 140 and name HD21)) ( segid " " and resid 34 and name HG2%) ASSI { 991} (( segid " " and resid 166 and name HE22)) (( segid " " and resid 166 and name HE21)) 1.300 0.200 0.900 peak 991 spectrum 1 weight 0.11000E+01 volume 0.84386E-01 ppm1 6.919 ppm2 7.432 CV 1 OR { 991} (( segid " " and resid 66 and name HE21)) (( segid " " and resid 66 and name HE22)) ASSI { 994} (( segid " " and resid 66 and name HE21)) (( segid " " and resid 66 and name HG1 )) 3.000 1.200 1.200 peak 994 spectrum 1 weight 0.11000E+01 volume 0.33167E-02 ppm1 6.919 ppm2 2.567 CV 1 OR { 994} (( segid " " and resid 166 and name HE22)) (( segid " " and resid 166 and name HG2 )) ASSI { 999} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HN )) 2.500 0.800 0.800 peak 999 spectrum 1 weight 0.11000E+01 volume 0.73132E-02 ppm1 8.559 ppm2 8.340 CV 1 OR { 999} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HN )) ASSI { 1001} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HA )) 2.200 0.600 0.600 peak 1001 spectrum 1 weight 0.11000E+01 volume 0.12616E-01 ppm1 8.559 ppm2 4.497 CV 1 OR { 1001} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) ASSI { 1002} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HA1 )) 2.000 0.500 0.500 peak 1002 spectrum 1 weight 0.11000E+01 volume 0.30962E-01 ppm1 8.559 ppm2 4.016 CV 1 OR { 1002} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA1 )) OR { 1002} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA2 )) OR { 1002} (( segid " " and resid 132 and name HN )) (( segid " " and resid 132 and name HA2 )) ASSI { 1006} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HN )) 1.300 0.200 0.900 peak 1006 spectrum 1 weight 0.11000E+01 volume 0.96924E-01 ppm1 8.415 ppm2 8.415 CV 1 OR { 1006} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HN )) ASSI { 1008} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA )) 2.600 0.800 0.800 peak 1008 spectrum 1 weight 0.11000E+01 volume 0.89216E-02 ppm1 8.415 ppm2 4.642 CV 1 OR { 1008} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) ASSI { 1009} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HA2 )) 2.200 0.600 0.600 peak 1009 spectrum 1 weight 0.11000E+01 volume 0.11640E-01 ppm1 8.416 ppm2 3.912 CV 1 OR { 1009} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA1 )) ASSI { 1010} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB1 )) 4.800 2.800 1.200 peak 1010 spectrum 1 weight 0.11000E+01 volume 0.47889E-03 ppm1 8.415 ppm2 3.178 CV 1 OR { 1010} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB1 )) ASSI { 1020} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HA2 )) 2.100 0.500 0.500 peak 1020 spectrum 1 weight 0.11000E+01 volume 0.15754E-01 ppm1 7.897 ppm2 3.986 CV 1 OR { 1020} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA2 )) OR { 1020} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA1 )) OR { 1020} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HA1 )) ASSI { 2} (( segid " " and resid 171 and name HE1 )) (( segid " " and resid 171 and name HZ2 )) 2.500 0.800 0.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.55911E-02 ppm1 10.501 ppm2 7.303 CV 1 OR { 2} (( segid " " and resid 71 and name HE1 )) (( segid " " and resid 71 and name HZ2 )) ASSI { 3} (( segid " " and resid 171 and name HE1 )) (( segid " " and resid 171 and name HH2 )) 4.600 2.600 1.400 peak 3 spectrum 1 weight 0.10000E+01 volume 0.69177E-03 ppm1 10.501 ppm2 6.791 CV 1 OR { 3} (( segid " " and resid 71 and name HE1 )) (( segid " " and resid 71 and name HH2 )) ASSI { 4} (( segid " " and resid 171 and name HE1 )) (( segid " " and resid 175 and name HD21)) 3.500 1.500 1.500 peak 4 spectrum 1 weight 0.10000E+01 volume 0.14480E-02 ppm1 10.502 ppm2 6.714 CV 1 OR { 4} (( segid " " and resid 71 and name HE1 )) (( segid " " and resid 75 and name HD21)) ASSI { 5} (( segid " " and resid 171 and name HE1 )) (( segid " " and resid 175 and name HD22)) 4.000 2.000 2.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.85584E-03 ppm1 10.501 ppm2 6.054 CV 1 OR { 5} (( segid " " and resid 71 and name HE1 )) (( segid " " and resid 75 and name HD22)) ASSI { 6} (( segid " " and resid 71 and name HE1 )) (( segid " " and resid 71 and name HA )) 4.400 2.400 1.600 peak 6 spectrum 1 weight 0.10000E+01 volume 0.56651E-03 ppm1 10.501 ppm2 4.185 CV 1 OR { 6} (( segid " " and resid 171 and name HE1 )) (( segid " " and resid 171 and name HA )) OR { 6} (( segid " " and resid 71 and name HE1 )) (( segid " " and resid 167 and name HA )) OR { 6} (( segid " " and resid 71 and name HE1 )) (( segid " " and resid 166 and name HA )) ASSI { 7} (( segid " " and resid 71 and name HE1 )) (( segid " " and resid 71 and name HB2 )) 4.300 2.300 1.700 peak 7 spectrum 1 weight 0.10000E+01 volume 0.65072E-03 ppm1 10.502 ppm2 3.339 CV 1 OR { 7} (( segid " " and resid 171 and name HE1 )) (( segid " " and resid 171 and name HB2 )) OR { 7} (( segid " " and resid 71 and name HE1 )) (( segid " " and resid 71 and name HB1 )) ASSI { 9} (( segid " " and resid 171 and name HE1 )) (( segid " " and resid 175 and name HB1 )) 3.300 1.400 1.400 peak 9 spectrum 1 weight 0.10000E+01 volume 0.15000E-02 ppm1 10.501 ppm2 0.828 CV 1 OR { 9} (( segid " " and resid 71 and name HE1 )) (( segid " " and resid 75 and name HB1 )) OR { 9} (( segid " " and resid 71 and name HE1 )) ( segid " " and resid 163 and name HG1%) ASSI { 14} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HN )) 4.800 2.900 1.200 peak 14 spectrum 1 weight 0.10000E+01 volume 0.30143E-03 ppm1 8.345 ppm2 8.245 CV 1 OR { 14} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HN )) ASSI { 16} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 2.600 0.800 0.800 peak 16 spectrum 1 weight 0.10000E+01 volume 0.43752E-02 ppm1 8.345 ppm2 4.601 CV 1 OR { 16} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA )) ASSI { 18} (( segid " " and resid 127 and name HN )) (( segid " " and resid 125 and name HA )) 2.500 2.500 3.500 peak 18 spectrum 1 weight 0.10000E+01 volume 0.29283E-02 ppm1 8.345 ppm2 4.156 CV 1 OR { 18} (( segid " " and resid 27 and name HN )) (( segid " " and resid 29 and name HA )) OR { 18} (( segid " " and resid 127 and name HN )) (( segid " " and resid 129 and name HA )) ASSI { 19} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HD1 )) 5.200 3.400 0.800 peak 19 spectrum 1 weight 0.10000E+01 volume 0.26364E-03 ppm1 8.345 ppm2 3.813 CV 1 OR { 19} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HD2 )) ASSI { 20} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HD1 )) 5.300 3.500 0.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.25575E-03 ppm1 8.344 ppm2 3.652 CV 1 OR { 20} (( segid " " and resid 127 and name HN )) (( segid " " and resid 128 and name HD2 )) ASSI { 23} (( segid " " and resid 127 and name HN )) ( segid " " and resid 125 and name HG1%) 3.000 3.000 3.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.13896E-02 ppm1 8.345 ppm2 0.933 CV 1 OR { 23} (( segid " " and resid 27 and name HN )) ( segid " " and resid 29 and name HG2%) OR { 23} (( segid " " and resid 127 and name HN )) ( segid " " and resid 129 and name HG2%) OR { 23} (( segid " " and resid 27 and name HN )) ( segid " " and resid 29 and name HG1%) OR { 23} (( segid " " and resid 127 and name HN )) ( segid " " and resid 129 and name HG1%) ASSI { 26} (( segid " " and resid 135 and name HN )) (( segid " " and resid 43 and name HN )) 4.000 2.000 2.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.10535E-02 ppm1 9.424 ppm2 8.825 CV 1 OR { 26} (( segid " " and resid 35 and name HN )) (( segid " " and resid 143 and name HN )) OR { 26} (( segid " " and resid 35 and name HN )) (( segid " " and resid 146 and name HN )) ASSI { 27} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HN )) 4.300 2.300 1.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.64438E-03 ppm1 9.423 ppm2 8.465 CV 1 OR { 27} (( segid " " and resid 135 and name HN )) (( segid " " and resid 136 and name HN )) ASSI { 29} (( segid " " and resid 135 and name HN )) (( segid " " and resid 40 and name HA )) 4.500 2.500 1.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.35725E-03 ppm1 9.424 ppm2 5.170 CV 1 OR { 29} (( segid " " and resid 35 and name HN )) (( segid " " and resid 140 and name HA )) ASSI { 30} (( segid " " and resid 135 and name HN )) (( segid " " and resid 42 and name HA )) 3.200 1.300 1.300 peak 30 spectrum 1 weight 0.10000E+01 volume 0.15993E-02 ppm1 9.424 ppm2 4.812 CV 1 OR { 30} (( segid " " and resid 35 and name HN )) (( segid " " and resid 142 and name HA )) ASSI { 31} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HA )) 1.900 0.400 0.400 peak 31 spectrum 1 weight 0.10000E+01 volume 0.15232E-01 ppm1 9.424 ppm2 4.509 CV 1 OR { 31} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HA )) OR { 31} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HA )) ASSI { 32} (( segid " " and resid 35 and name HN )) (( segid " " and resid 143 and name HA )) 6.000 5.200 0.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.49616E-04 ppm1 9.427 ppm2 3.892 CV 1 OR { 32} (( segid " " and resid 135 and name HN )) (( segid " " and resid 43 and name HA )) OR { 32} (( segid " " and resid 35 and name HN )) (( segid " " and resid 146 and name HA )) ASSI { 33} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HE1 )) 5.500 3.700 0.500 peak 33 spectrum 1 weight 0.10000E+01 volume 0.14759E-03 ppm1 9.426 ppm2 2.815 CV 1 OR { 33} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HE1 )) OR { 33} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HE2 )) OR { 33} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HE2 )) OR { 33} (( segid " " and resid 35 and name HN )) (( segid " " and resid 142 and name HB1 )) ASSI { 36} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HG1 )) 3.800 1.800 1.800 peak 36 spectrum 1 weight 0.10000E+01 volume 0.13320E-02 ppm1 9.424 ppm2 1.206 CV 1 OR { 36} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HG1 )) OR { 36} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HG12)) OR { 36} (( segid " " and resid 135 and name HN )) (( segid " " and resid 134 and name HG11)) ASSI { 37} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HG2 )) 3.100 1.200 1.200 peak 37 spectrum 1 weight 0.10000E+01 volume 0.54672E-03 ppm1 9.424 ppm2 0.951 CV 1 OR { 37} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HG2 )) ASSI { 39} (( segid " " and resid 137 and name HN )) (( segid " " and resid 39 and name HN )) 2.700 0.900 0.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.32750E-02 ppm1 8.598 ppm2 9.200 CV 1 OR { 39} (( segid " " and resid 37 and name HN )) (( segid " " and resid 139 and name HN )) OR { 39} (( segid " " and resid 137 and name HN )) (( segid " " and resid 139 and name HN )) ASSI { 40} (( segid " " and resid 137 and name HN )) (( segid " " and resid 41 and name HN )) 4.600 2.600 1.400 peak 40 spectrum 1 weight 0.10000E+01 volume 0.55999E-03 ppm1 8.599 ppm2 9.078 CV 1 OR { 40} (( segid " " and resid 37 and name HN )) (( segid " " and resid 141 and name HN )) ASSI { 42} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HN )) 3.400 1.400 1.400 peak 42 spectrum 1 weight 0.10000E+01 volume 0.27624E-02 ppm1 8.598 ppm2 8.468 CV 1 OR { 42} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) OR { 42} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HN )) OR { 42} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HN )) ASSI { 43} (( segid " " and resid 37 and name HN )) (( segid " " and resid 138 and name HD22)) 4.100 2.100 1.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.61334E-03 ppm1 8.599 ppm2 7.312 CV 1 OR { 43} (( segid " " and resid 137 and name HN )) (( segid " " and resid 38 and name HD21)) OR { 43} (( segid " " and resid 137 and name HN )) ( segid " " and resid 41 and name HD% ) OR { 43} (( segid " " and resid 37 and name HN )) ( segid " " and resid 141 and name HD% ) ASSI { 44} (( segid " " and resid 137 and name HN )) (( segid " " and resid 40 and name HA )) 3.000 1.100 1.100 peak 44 spectrum 1 weight 0.10000E+01 volume 0.24693E-02 ppm1 8.599 ppm2 5.176 CV 1 OR { 44} (( segid " " and resid 37 and name HN )) (( segid " " and resid 140 and name HA )) ASSI { 45} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HA )) 3.200 1.300 1.300 peak 45 spectrum 1 weight 0.10000E+01 volume 0.20616E-02 ppm1 8.598 ppm2 5.091 CV 1 OR { 45} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HA )) OR { 45} (( segid " " and resid 137 and name HN )) (( segid " " and resid 38 and name HA )) OR { 45} (( segid " " and resid 37 and name HN )) (( segid " " and resid 138 and name HA )) ASSI { 47} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HA )) 2.700 0.900 0.900 peak 47 spectrum 1 weight 0.10000E+01 volume 0.28896E-02 ppm1 8.598 ppm2 4.144 CV 1 OR { 47} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) ASSI { 59} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HD21)) 3.500 1.600 1.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.50740E-03 ppm1 7.958 ppm2 6.714 CV 1 OR { 59} (( segid " " and resid 176 and name HN )) (( segid " " and resid 175 and name HD21)) ASSI { 60} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HD22)) 3.900 1.900 1.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.10938E-02 ppm1 7.957 ppm2 6.056 CV 1 OR { 60} (( segid " " and resid 176 and name HN )) (( segid " " and resid 175 and name HD22)) ASSI { 62} (( segid " " and resid 176 and name HN )) (( segid " " and resid 174 and name HA )) 3.300 1.400 1.400 peak 62 spectrum 1 weight 0.10000E+01 volume 0.11396E-02 ppm1 7.958 ppm2 4.256 CV 1 OR { 62} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 63} (( segid " " and resid 176 and name HN )) (( segid " " and resid 173 and name HA )) 3.600 1.700 1.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.73687E-03 ppm1 7.958 ppm2 4.045 CV 1 OR { 63} (( segid " " and resid 76 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 67} (( segid " " and resid 176 and name HN )) (( segid " " and resid 174 and name HB2 )) 3.600 1.600 1.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.23815E-02 ppm1 7.957 ppm2 1.802 CV 1 OR { 67} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HB2 )) OR { 67} (( segid " " and resid 76 and name HN )) ( segid " " and resid 152 and name HB% ) ASSI { 69} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HB2 )) 4.200 2.200 1.800 peak 69 spectrum 1 weight 0.10000E+01 volume 0.50570E-03 ppm1 7.958 ppm2 1.565 CV 1 OR { 69} (( segid " " and resid 76 and name HN )) ( segid " " and resid 151 and name HB% ) ASSI { 72} (( segid " " and resid 43 and name HN )) (( segid " " and resid 135 and name HN )) 3.800 1.800 1.800 peak 72 spectrum 1 weight 0.10000E+01 volume 0.12422E-02 ppm1 8.823 ppm2 9.425 CV 1 OR { 72} (( segid " " and resid 143 and name HN )) (( segid " " and resid 35 and name HN )) ASSI { 73} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HN )) 4.700 2.800 1.300 peak 73 spectrum 1 weight 0.10000E+01 volume 0.71963E-03 ppm1 8.823 ppm2 9.220 CV 1 OR { 73} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HN )) ASSI { 81} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HD2 )) 6.000 6.000 0.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.95785E-04 ppm1 8.823 ppm2 1.857 CV 1 OR { 81} (( segid " " and resid 143 and name HN )) (( segid " " and resid 145 and name HD2 )) OR { 81} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HD1 )) OR { 81} (( segid " " and resid 143 and name HN )) (( segid " " and resid 145 and name HD1 )) ASSI { 82} (( segid " " and resid 143 and name HN )) (( segid " " and resid 33 and name HB1 )) 3.500 1.600 1.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.87343E-03 ppm1 8.823 ppm2 1.764 CV 1 OR { 82} (( segid " " and resid 43 and name HN )) (( segid " " and resid 133 and name HB1 )) ASSI { 84} (( segid " " and resid 43 and name HN )) (( segid " " and resid 135 and name HG1 )) 4.600 2.700 1.400 peak 84 spectrum 1 weight 0.10000E+01 volume 0.23464E-03 ppm1 8.823 ppm2 1.205 CV 1 OR { 84} (( segid " " and resid 143 and name HN )) (( segid " " and resid 35 and name HG1 )) OR { 84} (( segid " " and resid 43 and name HN )) (( segid " " and resid 134 and name HG11)) ASSI { 88} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HN )) 4.500 2.500 1.500 peak 88 spectrum 1 weight 0.10000E+01 volume 0.53615E-03 ppm1 8.463 ppm2 8.599 CV 1 OR { 88} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HN )) ASSI { 91} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HD2 )) 4.600 2.600 1.400 peak 91 spectrum 1 weight 0.10000E+01 volume 0.41562E-03 ppm1 8.462 ppm2 3.095 CV 1 OR { 91} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HD2 )) ASSI { 94} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB1 )) 2.300 0.700 0.700 peak 94 spectrum 1 weight 0.10000E+01 volume 0.75807E-02 ppm1 8.462 ppm2 1.474 CV 1 OR { 94} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB1 )) OR { 94} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB2 )) OR { 94} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB2 )) ASSI { 98} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HA )) 4.800 2.800 1.200 peak 98 spectrum 1 weight 0.10000E+01 volume 0.72788E-04 ppm1 8.408 ppm2 4.537 CV 1 OR { 98} (( segid " " and resid 111 and name HN )) (( segid " " and resid 113 and name HA )) OR { 98} (( segid " " and resid 11 and name HN )) (( segid " " and resid 13 and name HA )) ASSI { 100} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HN )) 6.000 6.000 0.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.26397E-04 ppm1 8.403 ppm2 8.239 CV 1 OR { 100} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HN )) ASSI { 102} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HA )) 2.800 1.000 1.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.27064E-02 ppm1 8.403 ppm2 4.323 CV 1 OR { 102} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) ASSI { 103} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA )) 1.800 0.400 0.400 peak 103 spectrum 1 weight 0.10000E+01 volume 0.28809E-01 ppm1 8.403 ppm2 4.129 CV 1 OR { 103} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HA )) ASSI { 106} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HG1 )) 3.700 1.700 1.700 peak 106 spectrum 1 weight 0.10000E+01 volume 0.14998E-02 ppm1 8.404 ppm2 1.431 CV 1 OR { 106} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG1 )) OR { 106} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG2 )) OR { 106} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HG2 )) ASSI { 107} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HG2%) 3.100 1.200 1.200 peak 107 spectrum 1 weight 0.10000E+01 volume 0.36978E-02 ppm1 8.404 ppm2 0.941 CV 1 OR { 107} (( segid " " and resid 25 and name HN )) ( segid " " and resid 25 and name HG2%) OR { 107} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HG1%) OR { 107} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HG1%) OR { 107} (( segid " " and resid 111 and name HN )) ( segid " " and resid 110 and name HG1%) OR { 107} (( segid " " and resid 25 and name HN )) ( segid " " and resid 24 and name HG1%) OR { 107} (( segid " " and resid 125 and name HN )) ( segid " " and resid 124 and name HG1%) OR { 107} (( segid " " and resid 25 and name HN )) ( segid " " and resid 24 and name HG2%) OR { 107} (( segid " " and resid 125 and name HN )) ( segid " " and resid 124 and name HG2%) ASSI { 109} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HN )) 3.700 1.700 1.700 peak 109 spectrum 1 weight 0.10000E+01 volume 0.16148E-02 ppm1 9.198 ppm2 8.471 CV 1 OR { 109} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HN )) ASSI { 112} (( segid " " and resid 39 and name HN )) (( segid " " and resid 137 and name HN )) 2.800 1.000 1.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.25551E-02 ppm1 9.198 ppm2 8.599 CV 1 OR { 112} (( segid " " and resid 139 and name HN )) (( segid " " and resid 37 and name HN )) ASSI { 114} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HD21)) 4.700 2.700 1.300 peak 114 spectrum 1 weight 0.10000E+01 volume 0.22042E-03 ppm1 9.197 ppm2 7.302 CV 1 OR { 114} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HD22)) ASSI { 116} (( segid " " and resid 39 and name HN )) (( segid " " and resid 136 and name HA )) 4.300 2.300 1.700 peak 116 spectrum 1 weight 0.10000E+01 volume 0.50282E-03 ppm1 9.197 ppm2 4.598 CV 1 OR { 116} (( segid " " and resid 139 and name HN )) (( segid " " and resid 36 and name HA )) ASSI { 117} (( segid " " and resid 39 and name HN )) (( segid " " and resid 137 and name HA )) 3.700 1.700 1.700 peak 117 spectrum 1 weight 0.10000E+01 volume 0.59863E-03 ppm1 9.197 ppm2 4.142 CV 1 OR { 117} (( segid " " and resid 139 and name HN )) (( segid " " and resid 37 and name HA )) ASSI { 119} (( segid " " and resid 39 and name HN )) (( segid " " and resid 137 and name HB )) 3.800 1.800 1.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.65568E-03 ppm1 9.196 ppm2 2.206 CV 1 OR { 119} (( segid " " and resid 139 and name HN )) (( segid " " and resid 37 and name HB )) OR { 119} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HB )) OR { 119} (( segid " " and resid 139 and name HN )) (( segid " " and resid 137 and name HB )) ASSI { 122} (( segid " " and resid 39 and name HN )) ( segid " " and resid 137 and name HG2%) 4.000 2.000 2.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.97056E-03 ppm1 9.196 ppm2 0.654 CV 1 OR { 122} (( segid " " and resid 139 and name HN )) ( segid " " and resid 37 and name HG2%) OR { 122} (( segid " " and resid 39 and name HN )) ( segid " " and resid 37 and name HG2%) ASSI { 123} (( segid " " and resid 39 and name HN )) ( segid " " and resid 39 and name HG2%) 2.700 0.900 0.900 peak 123 spectrum 1 weight 0.10000E+01 volume 0.18893E-02 ppm1 9.196 ppm2 0.472 CV 1 OR { 123} (( segid " " and resid 139 and name HN )) ( segid " " and resid 139 and name HG2%) ASSI { 125} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HN )) 3.800 1.900 1.900 peak 125 spectrum 1 weight 0.10000E+01 volume 0.15285E-02 ppm1 8.389 ppm2 8.217 CV 1 OR { 125} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HN )) ASSI { 128} (( segid " " and resid 125 and name HN )) ( segid " " and resid 125 and name HG2%) 2.400 0.700 0.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.12786E-01 ppm1 8.390 ppm2 0.936 CV 1 OR { 128} (( segid " " and resid 25 and name HN )) ( segid " " and resid 25 and name HG2%) OR { 128} (( segid " " and resid 25 and name HN )) ( segid " " and resid 24 and name HG1%) OR { 128} (( segid " " and resid 125 and name HN )) ( segid " " and resid 124 and name HG1%) OR { 128} (( segid " " and resid 25 and name HN )) ( segid " " and resid 24 and name HG2%) OR { 128} (( segid " " and resid 125 and name HN )) ( segid " " and resid 124 and name HG2%) ASSI { 129} (( segid " " and resid 125 and name HN )) (( segid " " and resid 126 and name HA )) 5.000 3.100 1.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.10557E-03 ppm1 8.387 ppm2 4.332 CV 1 OR { 129} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HA )) ASSI { 131} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HA )) 2.400 0.700 0.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.81999E-02 ppm1 8.338 ppm2 4.273 CV 1 OR { 131} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) OR { 131} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HA )) OR { 131} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) ASSI { 132} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HD2 )) 2.700 2.700 3.300 peak 132 spectrum 1 weight 0.10000E+01 volume 0.63545E-03 ppm1 8.338 ppm2 1.821 CV 1 OR { 132} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HD2 )) OR { 132} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HD1 )) OR { 132} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HD1 )) ASSI { 133} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB1 )) 4.600 2.700 1.400 peak 133 spectrum 1 weight 0.10000E+01 volume 0.24592E-03 ppm1 8.338 ppm2 1.731 CV 1 OR { 133} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB1 )) OR { 133} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB2 )) OR { 133} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB2 )) ASSI { 134} (( segid " " and resid 106 and name HN )) ( segid " " and resid 106 and name HB% ) 2.800 1.000 1.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.45270E-02 ppm1 8.338 ppm2 1.359 CV 1 OR { 134} (( segid " " and resid 6 and name HN )) ( segid " " and resid 6 and name HB% ) ASSI { 136} (( segid " " and resid 162 and name HN )) (( segid " " and resid 159 and name HN )) 3.600 1.600 1.600 peak 136 spectrum 1 weight 0.10000E+01 volume 0.14571E-02 ppm1 7.658 ppm2 8.882 CV 1 OR { 136} (( segid " " and resid 62 and name HN )) (( segid " " and resid 59 and name HN )) ASSI { 137} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HN )) 2.100 0.500 0.500 peak 137 spectrum 1 weight 0.10000E+01 volume 0.81521E-02 ppm1 7.658 ppm2 8.254 CV 1 OR { 137} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HN )) OR { 137} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HN )) ASSI { 140} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB )) 2.500 0.800 0.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.36585E-02 ppm1 7.658 ppm2 4.084 CV 1 OR { 140} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HB )) OR { 140} (( segid " " and resid 62 and name HN )) (( segid " " and resid 59 and name HB1 )) OR { 140} (( segid " " and resid 62 and name HN )) (( segid " " and resid 59 and name HB2 )) OR { 140} (( segid " " and resid 162 and name HN )) (( segid " " and resid 159 and name HB2 )) ASSI { 141} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA )) 3.000 1.100 1.100 peak 141 spectrum 1 weight 0.10000E+01 volume 0.22062E-02 ppm1 7.658 ppm2 3.841 CV 1 OR { 141} (( segid " " and resid 162 and name HN )) (( segid " " and resid 161 and name HA )) ASSI { 142} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HA )) 5.600 3.900 0.400 peak 142 spectrum 1 weight 0.10000E+01 volume 0.17869E-03 ppm1 7.658 ppm2 3.515 CV 1 OR { 142} (( segid " " and resid 162 and name HN )) (( segid " " and resid 163 and name HA )) ASSI { 145} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HB )) 4.200 2.200 1.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.14232E-02 ppm1 7.657 ppm2 1.642 CV 1 OR { 145} (( segid " " and resid 162 and name HN )) (( segid " " and resid 163 and name HB )) OR { 145} (( segid " " and resid 62 and name HN )) (( segid " " and resid 60 and name HB )) ASSI { 147} (( segid " " and resid 62 and name HN )) ( segid " " and resid 64 and name HG2%) 6.000 6.000 0.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.25211E-04 ppm1 7.658 ppm2 1.161 CV 1 OR { 147} (( segid " " and resid 62 and name HN )) ( segid " " and resid 58 and name HG2%) OR { 147} (( segid " " and resid 162 and name HN )) ( segid " " and resid 158 and name HG2%) ASSI { 148} (( segid " " and resid 62 and name HN )) ( segid " " and resid 63 and name HG2%) 3.800 1.800 1.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.15888E-02 ppm1 7.658 ppm2 0.831 CV 1 OR { 148} (( segid " " and resid 162 and name HN )) ( segid " " and resid 163 and name HG1%) ASSI { 150} (( segid " " and resid 162 and name HN )) ( segid " " and resid 163 and name HG2%) 6.000 4.400 0.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.99578E-04 ppm1 7.657 ppm2 -0.205 CV 1 OR { 150} (( segid " " and resid 62 and name HN )) ( segid " " and resid 63 and name HG1%) ASSI { 152} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HN )) 4.000 2.000 2.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.92338E-03 ppm1 8.472 ppm2 8.599 CV 1 OR { 152} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HN )) ASSI { 154} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HD21)) 4.500 2.500 1.500 peak 154 spectrum 1 weight 0.10000E+01 volume 0.10916E-02 ppm1 8.471 ppm2 7.296 CV 1 OR { 154} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HD22)) OR { 154} (( segid " " and resid 138 and name HN )) ( segid " " and resid 41 and name HD% ) OR { 154} (( segid " " and resid 38 and name HN )) ( segid " " and resid 141 and name HD% ) ASSI { 160} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB )) 3.700 1.700 1.700 peak 160 spectrum 1 weight 0.10000E+01 volume 0.17474E-02 ppm1 8.471 ppm2 2.205 CV 1 OR { 160} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB )) ASSI { 161} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HB2 )) 6.000 4.700 0.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.73933E-04 ppm1 8.472 ppm2 1.811 CV 1 OR { 161} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HB1 )) OR { 161} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HB )) OR { 161} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HB )) OR { 161} (( segid " " and resid 138 and name HN )) (( segid " " and resid 39 and name HB )) ASSI { 163} (( segid " " and resid 138 and name HN )) ( segid " " and resid 137 and name HG2%) 3.400 1.500 1.500 peak 163 spectrum 1 weight 0.10000E+01 volume 0.44190E-02 ppm1 8.472 ppm2 0.656 CV 1 OR { 163} (( segid " " and resid 38 and name HN )) ( segid " " and resid 37 and name HG2%) ASSI { 166} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 2.000 0.500 0.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.19408E-01 ppm1 8.397 ppm2 4.310 CV 1 OR { 166} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) OR { 166} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) OR { 166} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) ASSI { 167} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB2 )) 2.400 0.700 0.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.90391E-02 ppm1 8.397 ppm2 1.752 CV 1 OR { 167} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB2 )) OR { 167} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB1 )) OR { 167} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB1 )) ASSI { 168} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG1 )) 3.400 1.500 1.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.19073E-02 ppm1 8.397 ppm2 1.438 CV 1 OR { 168} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG1 )) OR { 168} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HG2 )) OR { 168} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG2 )) OR { 168} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HG1 )) OR { 168} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HG1 )) ASSI { 169} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HN )) 4.100 2.100 1.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.86923E-03 ppm1 7.722 ppm2 9.200 CV 1 OR { 169} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HN )) ASSI { 170} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HN )) 4.000 2.000 2.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.80654E-03 ppm1 7.721 ppm2 9.078 CV 1 OR { 170} (( segid " " and resid 140 and name HN )) (( segid " " and resid 141 and name HN )) ASSI { 172} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HD22)) 3.600 1.600 1.600 peak 172 spectrum 1 weight 0.10000E+01 volume 0.13227E-02 ppm1 7.721 ppm2 7.413 CV 1 OR { 172} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HD22)) ASSI { 173} (( segid " " and resid 40 and name HN )) ( segid " " and resid 41 and name HE% ) 6.000 6.000 0.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.24493E-04 ppm1 7.722 ppm2 6.953 CV 1 OR { 173} (( segid " " and resid 140 and name HN )) ( segid " " and resid 141 and name HE% ) ASSI { 174} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HD21)) 3.600 1.600 1.600 peak 174 spectrum 1 weight 0.10000E+01 volume 0.50324E-03 ppm1 7.722 ppm2 6.704 CV 1 OR { 174} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HD21)) ASSI { 182} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HB )) 3.300 1.400 1.400 peak 182 spectrum 1 weight 0.10000E+01 volume 0.18183E-02 ppm1 7.721 ppm2 1.802 CV 1 OR { 182} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB )) ASSI { 191} (( segid " " and resid 171 and name HN )) (( segid " " and resid 169 and name HN )) 5.000 3.100 1.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.13895E-03 ppm1 8.520 ppm2 8.186 CV 1 OR { 191} (( segid " " and resid 71 and name HN )) (( segid " " and resid 69 and name HN )) ASSI { 193} (( segid " " and resid 71 and name HN )) (( segid " " and resid 73 and name HN )) 3.700 1.700 1.700 peak 193 spectrum 1 weight 0.10000E+01 volume 0.63921E-03 ppm1 8.519 ppm2 7.464 CV 1 OR { 193} (( segid " " and resid 171 and name HN )) (( segid " " and resid 173 and name HN )) OR { 193} (( segid " " and resid 171 and name HN )) (( segid " " and resid 175 and name HN )) ASSI { 194} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HD1 )) 4.000 2.000 2.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.15524E-02 ppm1 8.520 ppm2 7.399 CV 1 OR { 194} (( segid " " and resid 171 and name HN )) (( segid " " and resid 171 and name HD1 )) ASSI { 195} (( segid " " and resid 171 and name HN )) (( segid " " and resid 171 and name HE3 )) 4.500 2.600 1.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.76670E-03 ppm1 8.520 ppm2 7.260 CV 1 OR { 195} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HE3 )) ASSI { 196} (( segid " " and resid 71 and name HN )) (( segid " " and resid 74 and name HN )) 5.000 3.200 1.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.27428E-03 ppm1 8.520 ppm2 7.100 CV 1 OR { 196} (( segid " " and resid 171 and name HN )) (( segid " " and resid 174 and name HN )) OR { 196} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HD22)) ASSI { 198} (( segid " " and resid 171 and name HN )) (( segid " " and resid 169 and name HA )) 6.000 5.400 0.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.25251E-04 ppm1 8.520 ppm2 4.380 CV 1 OR { 198} (( segid " " and resid 71 and name HN )) (( segid " " and resid 69 and name HA )) ASSI { 199} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HA )) 2.500 0.800 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.63689E-02 ppm1 8.520 ppm2 4.186 CV 1 OR { 199} (( segid " " and resid 171 and name HN )) (( segid " " and resid 171 and name HA )) OR { 199} (( segid " " and resid 71 and name HN )) (( segid " " and resid 167 and name HA )) ASSI { 200} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HA )) 6.000 6.000 0.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.24793E-04 ppm1 8.521 ppm2 3.873 CV 1 OR { 200} (( segid " " and resid 171 and name HN )) (( segid " " and resid 172 and name HA )) ASSI { 202} (( segid " " and resid 171 and name HN )) (( segid " " and resid 170 and name HB2 )) 2.500 0.800 0.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.45344E-02 ppm1 8.519 ppm2 3.084 CV 1 OR { 202} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB2 )) OR { 202} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB1 )) OR { 202} (( segid " " and resid 171 and name HN )) (( segid " " and resid 170 and name HB1 )) ASSI { 203} (( segid " " and resid 171 and name HN )) (( segid " " and resid 169 and name HB2 )) 3.400 1.400 1.400 peak 203 spectrum 1 weight 0.10000E+01 volume 0.36658E-02 ppm1 8.520 ppm2 2.977 CV 1 OR { 203} (( segid " " and resid 71 and name HN )) (( segid " " and resid 69 and name HB2 )) ASSI { 204} (( segid " " and resid 71 and name HN )) (( segid " " and resid 167 and name HG )) 3.800 1.800 1.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.25640E-02 ppm1 8.519 ppm2 2.001 CV 1 OR { 204} (( segid " " and resid 171 and name HN )) (( segid " " and resid 67 and name HG )) OR { 204} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HG )) OR { 204} (( segid " " and resid 171 and name HN )) (( segid " " and resid 172 and name HG )) ASSI { 205} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HB2 )) 4.900 3.000 1.100 peak 205 spectrum 1 weight 0.10000E+01 volume 0.35913E-03 ppm1 8.519 ppm2 1.577 CV 1 OR { 205} (( segid " " and resid 171 and name HN )) (( segid " " and resid 172 and name HB2 )) ASSI { 208} (( segid " " and resid 71 and name HN )) ( segid " " and resid 68 and name HG1%) 4.700 2.800 1.300 peak 208 spectrum 1 weight 0.10000E+01 volume 0.31740E-03 ppm1 8.519 ppm2 0.053 CV 1 OR { 208} (( segid " " and resid 171 and name HN )) ( segid " " and resid 168 and name HG1%) ASSI { 214} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HA )) 2.400 0.700 0.700 peak 214 spectrum 1 weight 0.10000E+01 volume 0.80857E-02 ppm1 8.403 ppm2 4.273 CV 1 OR { 214} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) ASSI { 216} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HD2 )) 4.400 2.400 1.600 peak 216 spectrum 1 weight 0.10000E+01 volume 0.66581E-03 ppm1 8.403 ppm2 1.820 CV 1 OR { 216} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HD2 )) OR { 216} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HD1 )) OR { 216} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HD1 )) ASSI { 217} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB2 )) 2.900 1.100 1.100 peak 217 spectrum 1 weight 0.10000E+01 volume 0.27296E-02 ppm1 8.404 ppm2 1.735 CV 1 OR { 217} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB2 )) OR { 217} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB1 )) OR { 217} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB1 )) ASSI { 218} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG2 )) 4.400 2.400 1.600 peak 218 spectrum 1 weight 0.10000E+01 volume 0.52808E-03 ppm1 8.404 ppm2 1.443 CV 1 OR { 218} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HG2 )) OR { 218} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG1 )) OR { 218} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HG1 )) ASSI { 223} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 2.100 0.600 0.600 peak 223 spectrum 1 weight 0.10000E+01 volume 0.92044E-02 ppm1 8.732 ppm2 4.745 CV 1 OR { 223} (( segid " " and resid 160 and name HN )) (( segid " " and resid 159 and name HA )) ASSI { 226} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA )) 2.700 0.900 0.900 peak 226 spectrum 1 weight 0.10000E+01 volume 0.24221E-02 ppm1 8.733 ppm2 3.145 CV 1 OR { 226} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HA )) ASSI { 228} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HG12)) 3.500 1.500 1.500 peak 228 spectrum 1 weight 0.10000E+01 volume 0.44439E-02 ppm1 8.733 ppm2 1.271 CV 1 OR { 228} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG12)) ASSI { 229} (( segid " " and resid 160 and name HN )) ( segid " " and resid 160 and name HG2%) 2.700 0.900 0.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.28270E-02 ppm1 8.733 ppm2 0.627 CV 1 OR { 229} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HG2%) ASSI { 230} (( segid " " and resid 160 and name HN )) ( segid " " and resid 160 and name HD1%) 3.800 1.800 1.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.34101E-02 ppm1 8.733 ppm2 0.510 CV 1 OR { 230} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HD1%) ASSI { 231} (( segid " " and resid 160 and name HN )) (( segid " " and resid 160 and name HG11)) 3.500 1.500 1.500 peak 231 spectrum 1 weight 0.10000E+01 volume 0.29435E-02 ppm1 8.733 ppm2 -0.245 CV 1 OR { 231} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG11)) ASSI { 232} (( segid " " and resid 3 and name HN )) (( segid " " and resid 4 and name HN )) 3.800 1.800 1.800 peak 232 spectrum 1 weight 0.10000E+01 volume 0.60800E-03 ppm1 8.707 ppm2 8.561 CV 1 OR { 232} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HN )) ASSI { 238} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HA )) 2.700 0.900 0.900 peak 238 spectrum 1 weight 0.10000E+01 volume 0.41151E-02 ppm1 8.561 ppm2 4.398 CV 1 OR { 238} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA )) ASSI { 239} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA )) 3.100 1.200 1.200 peak 239 spectrum 1 weight 0.10000E+01 volume 0.17288E-02 ppm1 8.561 ppm2 4.243 CV 1 OR { 239} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HA )) ASSI { 240} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG2 )) 5.200 3.400 0.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.22619E-03 ppm1 8.561 ppm2 2.292 CV 1 OR { 240} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HG2 )) OR { 240} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HG1 )) OR { 240} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HG1 )) ASSI { 241} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB2 )) 3.000 1.100 1.100 peak 241 spectrum 1 weight 0.10000E+01 volume 0.27234E-02 ppm1 8.561 ppm2 1.947 CV 1 OR { 241} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB2 )) OR { 241} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB1 )) OR { 241} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB1 )) ASSI { 248} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HG1 )) 4.000 2.000 2.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.85608E-03 ppm1 8.504 ppm2 2.499 CV 1 OR { 248} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HG2 )) ASSI { 250} (( segid " " and resid 113 and name HN )) (( segid " " and resid 111 and name HB1 )) 2.500 2.500 3.500 peak 250 spectrum 1 weight 0.10000E+01 volume 0.11608E-02 ppm1 8.505 ppm2 1.804 CV 1 OR { 250} (( segid " " and resid 13 and name HN )) (( segid " " and resid 11 and name HB2 )) ASSI { 256} (( segid " " and resid 42 and name HN )) (( segid " " and resid 46 and name HN )) 4.400 2.400 1.600 peak 256 spectrum 1 weight 0.10000E+01 volume 0.72639E-03 ppm1 9.216 ppm2 8.830 CV 1 OR { 256} (( segid " " and resid 142 and name HN )) (( segid " " and resid 143 and name HN )) OR { 256} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HN )) ASSI { 258} (( segid " " and resid 42 and name HN )) ( segid " " and resid 41 and name HD% ) 4.700 2.700 1.300 peak 258 spectrum 1 weight 0.10000E+01 volume 0.60500E-03 ppm1 9.216 ppm2 7.317 CV 1 OR { 258} (( segid " " and resid 142 and name HN )) ( segid " " and resid 141 and name HD% ) ASSI { 264} (( segid " " and resid 142 and name HN )) ( segid " " and resid 141 and name HE% ) 6.000 4.700 0.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.23072E-03 ppm1 9.215 ppm2 6.957 CV 1 OR { 264} (( segid " " and resid 42 and name HN )) ( segid " " and resid 41 and name HE% ) ASSI { 265} (( segid " " and resid 42 and name HN )) (( segid " " and resid 44 and name HB2 )) 6.000 4.400 0.000 peak 265 spectrum 1 weight 0.10000E+01 volume 0.20734E-03 ppm1 9.215 ppm2 2.180 CV 1 OR { 265} (( segid " " and resid 142 and name HN )) (( segid " " and resid 144 and name HB2 )) OR { 265} (( segid " " and resid 42 and name HN )) (( segid " " and resid 44 and name HB1 )) OR { 265} (( segid " " and resid 142 and name HN )) (( segid " " and resid 144 and name HB1 )) ASSI { 266} (( segid " " and resid 142 and name HN )) (( segid " " and resid 145 and name HB2 )) 4.100 2.100 1.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.23310E-03 ppm1 9.215 ppm2 2.010 CV 1 OR { 266} (( segid " " and resid 42 and name HN )) (( segid " " and resid 45 and name HB2 )) OR { 266} (( segid " " and resid 142 and name HN )) (( segid " " and resid 145 and name HB1 )) OR { 266} (( segid " " and resid 42 and name HN )) (( segid " " and resid 45 and name HB1 )) ASSI { 267} (( segid " " and resid 142 and name HN )) ( segid " " and resid 34 and name HG2%) 4.000 2.000 2.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.60207E-03 ppm1 9.215 ppm2 0.725 CV 1 OR { 267} (( segid " " and resid 42 and name HN )) ( segid " " and resid 134 and name HG2%) ASSI { 275} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB )) 2.200 0.600 0.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.92179E-02 ppm1 8.203 ppm2 2.048 CV 1 OR { 275} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HB )) ASSI { 276} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 2.600 0.900 0.900 peak 276 spectrum 1 weight 0.10000E+01 volume 0.38799E-02 ppm1 8.202 ppm2 4.125 CV 1 OR { 276} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HA )) ASSI { 278} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HG2 )) 4.000 2.000 2.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.11643E-02 ppm1 8.203 ppm2 1.608 CV 1 OR { 278} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HG2 )) OR { 278} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HG1 )) OR { 278} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HG1 )) ASSI { 279} (( segid " " and resid 24 and name HN )) ( segid " " and resid 24 and name HG2%) 2.600 0.800 0.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.87651E-02 ppm1 8.203 ppm2 0.945 CV 1 OR { 279} (( segid " " and resid 124 and name HN )) ( segid " " and resid 124 and name HG2%) OR { 279} (( segid " " and resid 24 and name HN )) ( segid " " and resid 24 and name HG1%) OR { 279} (( segid " " and resid 124 and name HN )) ( segid " " and resid 124 and name HG1%) ASSI { 290} (( segid " " and resid 15 and name HN )) ( segid " " and resid 15 and name HE% ) 4.600 2.600 1.400 peak 290 spectrum 1 weight 0.10000E+01 volume 0.41803E-03 ppm1 8.414 ppm2 7.273 CV 1 OR { 290} (( segid " " and resid 115 and name HN )) ( segid " " and resid 115 and name HE% ) ASSI { 292} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA )) 2.500 0.800 0.800 peak 292 spectrum 1 weight 0.10000E+01 volume 0.51868E-02 ppm1 8.415 ppm2 4.660 CV 1 OR { 292} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA )) ASSI { 293} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 2.000 0.500 0.500 peak 293 spectrum 1 weight 0.10000E+01 volume 0.11921E-01 ppm1 8.415 ppm2 4.325 CV 1 OR { 293} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) ASSI { 294} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB )) 2.700 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.22332E-02 ppm1 8.415 ppm2 4.153 CV 1 OR { 294} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB )) ASSI { 295} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB1 )) 2.900 1.000 1.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.22691E-02 ppm1 8.415 ppm2 3.185 CV 1 OR { 295} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB1 )) ASSI { 296} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB2 )) 3.100 1.200 1.200 peak 296 spectrum 1 weight 0.10000E+01 volume 0.40599E-02 ppm1 8.415 ppm2 3.029 CV 1 OR { 296} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB2 )) ASSI { 297} (( segid " " and resid 115 and name HN )) ( segid " " and resid 114 and name HG2%) 4.400 2.400 1.600 peak 297 spectrum 1 weight 0.10000E+01 volume 0.10640E-02 ppm1 8.415 ppm2 1.129 CV 1 OR { 297} (( segid " " and resid 15 and name HN )) ( segid " " and resid 14 and name HG2%) ASSI { 301} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) 2.100 0.600 0.600 peak 301 spectrum 1 weight 0.10000E+01 volume 0.12309E-01 ppm1 8.245 ppm2 4.537 CV 1 OR { 301} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HA )) ASSI { 302} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.700 1.700 1.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.16531E-02 ppm1 8.245 ppm2 3.881 CV 1 OR { 302} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB2 )) ASSI { 303} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB )) 2.800 1.000 1.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.42296E-02 ppm1 8.245 ppm2 2.080 CV 1 OR { 303} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB )) ASSI { 305} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HN )) 6.000 5.500 0.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.50141E-04 ppm1 8.245 ppm2 8.488 CV 1 OR { 305} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HN )) ASSI { 306} (( segid " " and resid 134 and name HN )) (( segid " " and resid 42 and name HA )) 3.300 1.300 1.300 peak 306 spectrum 1 weight 0.10000E+01 volume 0.58480E-02 ppm1 8.245 ppm2 4.824 CV 1 OR { 306} (( segid " " and resid 34 and name HN )) (( segid " " and resid 142 and name HA )) ASSI { 307} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HA )) 3.000 1.100 1.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.16883E-02 ppm1 8.244 ppm2 4.113 CV 1 OR { 307} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) ASSI { 309} (( segid " " and resid 41 and name HN )) (( segid " " and resid 135 and name HN )) 2.800 1.000 1.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.19706E-02 ppm1 9.076 ppm2 9.425 CV 1 OR { 309} (( segid " " and resid 141 and name HN )) (( segid " " and resid 35 and name HN )) ASSI { 310} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HN )) 4.200 2.200 1.800 peak 310 spectrum 1 weight 0.10000E+01 volume 0.73837E-03 ppm1 9.077 ppm2 9.215 CV 1 OR { 310} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HN )) ASSI { 313} (( segid " " and resid 41 and name HN )) ( segid " " and resid 41 and name HD% ) 3.300 1.400 1.400 peak 313 spectrum 1 weight 0.10000E+01 volume 0.15022E-02 ppm1 9.075 ppm2 7.317 CV 1 OR { 313} (( segid " " and resid 141 and name HN )) ( segid " " and resid 141 and name HD% ) ASSI { 314} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) 1.900 0.400 0.400 peak 314 spectrum 1 weight 0.10000E+01 volume 0.14297E-01 ppm1 9.076 ppm2 5.174 CV 1 OR { 314} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA )) ASSI { 315} (( segid " " and resid 41 and name HN )) (( segid " " and resid 136 and name HA )) 3.300 1.300 1.300 peak 315 spectrum 1 weight 0.10000E+01 volume 0.19286E-02 ppm1 9.077 ppm2 4.600 CV 1 OR { 315} (( segid " " and resid 141 and name HN )) (( segid " " and resid 36 and name HA )) ASSI { 316} (( segid " " and resid 41 and name HN )) (( segid " " and resid 135 and name HA )) 3.800 1.800 1.800 peak 316 spectrum 1 weight 0.10000E+01 volume 0.12205E-02 ppm1 9.076 ppm2 4.512 CV 1 OR { 316} (( segid " " and resid 141 and name HN )) (( segid " " and resid 35 and name HA )) OR { 316} (( segid " " and resid 141 and name HN )) (( segid " " and resid 34 and name HA )) OR { 316} (( segid " " and resid 41 and name HN )) (( segid " " and resid 134 and name HA )) ASSI { 318} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB2 )) 4.100 2.100 1.900 peak 318 spectrum 1 weight 0.10000E+01 volume 0.88603E-03 ppm1 9.077 ppm2 2.587 CV 1 OR { 318} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB2 )) ASSI { 319} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB1 )) 3.600 1.600 1.600 peak 319 spectrum 1 weight 0.10000E+01 volume 0.16786E-02 ppm1 9.076 ppm2 2.331 CV 1 OR { 319} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB1 )) ASSI { 320} (( segid " " and resid 41 and name HN )) (( segid " " and resid 135 and name HB2 )) 3.200 1.300 1.300 peak 320 spectrum 1 weight 0.10000E+01 volume 0.12990E-02 ppm1 9.076 ppm2 1.473 CV 1 OR { 320} (( segid " " and resid 141 and name HN )) (( segid " " and resid 35 and name HB2 )) OR { 320} (( segid " " and resid 41 and name HN )) (( segid " " and resid 135 and name HB1 )) OR { 320} (( segid " " and resid 141 and name HN )) (( segid " " and resid 35 and name HB1 )) OR { 320} (( segid " " and resid 141 and name HN )) (( segid " " and resid 145 and name HG1 )) OR { 320} (( segid " " and resid 41 and name HN )) (( segid " " and resid 45 and name HG1 )) ASSI { 324} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HN )) 3.800 1.800 1.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.17198E-02 ppm1 8.232 ppm2 9.426 CV 1 OR { 324} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HN )) ASSI { 325} (( segid " " and resid 163 and name HN )) (( segid " " and resid 159 and name HN )) 6.000 5.900 0.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.25105E-04 ppm1 8.231 ppm2 8.826 CV 1 OR { 325} (( segid " " and resid 63 and name HN )) (( segid " " and resid 59 and name HN )) OR { 325} (( segid " " and resid 34 and name HN )) (( segid " " and resid 143 and name HN )) ASSI { 327} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA )) 1.800 1.800 4.200 peak 327 spectrum 1 weight 0.10000E+01 volume 0.39533E-01 ppm1 8.233 ppm2 4.415 CV 1 OR { 327} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) OR { 327} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) ASSI { 328} (( segid " " and resid 134 and name HN )) (( segid " " and resid 132 and name HA2 )) 5.400 3.600 0.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.10672E-03 ppm1 8.233 ppm2 4.024 CV 1 OR { 328} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HA2 )) OR { 328} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HA1 )) OR { 328} (( segid " " and resid 134 and name HN )) (( segid " " and resid 132 and name HA1 )) ASSI { 331} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG11)) 2.500 0.800 0.800 peak 331 spectrum 1 weight 0.10000E+01 volume 0.69277E-02 ppm1 8.232 ppm2 1.418 CV 1 OR { 331} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HG12)) OR { 331} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HG2 )) OR { 331} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HG2 )) ASSI { 332} (( segid " " and resid 134 and name HN )) (( segid " " and resid 134 and name HG11)) 2.500 0.800 0.800 peak 332 spectrum 1 weight 0.10000E+01 volume 0.71264E-02 ppm1 8.232 ppm2 1.205 CV 1 OR { 332} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG12)) OR { 332} (( segid " " and resid 63 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 333} (( segid " " and resid 134 and name HN )) ( segid " " and resid 134 and name HD1%) 2.900 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.74254E-02 ppm1 8.232 ppm2 0.722 CV 1 OR { 333} (( segid " " and resid 34 and name HN )) ( segid " " and resid 34 and name HD1%) OR { 333} (( segid " " and resid 34 and name HN )) ( segid " " and resid 34 and name HG2%) ASSI { 335} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HN )) 2.400 0.700 0.700 peak 335 spectrum 1 weight 0.10000E+01 volume 0.44894E-02 ppm1 7.902 ppm2 8.447 CV 1 OR { 335} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HN )) ASSI { 336} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HN )) 2.200 0.600 0.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.78123E-02 ppm1 7.902 ppm2 8.011 CV 1 OR { 336} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HN )) ASSI { 338} (( segid " " and resid 54 and name HN )) (( segid " " and resid 56 and name HN )) 4.200 2.200 1.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.64056E-03 ppm1 7.902 ppm2 7.539 CV 1 OR { 338} (( segid " " and resid 154 and name HN )) (( segid " " and resid 156 and name HN )) ASSI { 339} (( segid " " and resid 154 and name HN )) (( segid " " and resid 154 and name HA )) 2.300 0.600 0.600 peak 339 spectrum 1 weight 0.10000E+01 volume 0.12266E-01 ppm1 7.902 ppm2 4.232 CV 1 OR { 339} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA )) ASSI { 340} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HA )) 6.000 6.000 0.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.56851E-04 ppm1 7.902 ppm2 4.135 CV 1 OR { 340} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HA )) ASSI { 341} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HA )) 2.900 1.000 1.000 peak 341 spectrum 1 weight 0.10000E+01 volume 0.33112E-02 ppm1 7.902 ppm2 3.975 CV 1 OR { 341} (( segid " " and resid 154 and name HN )) (( segid " " and resid 153 and name HA )) ASSI { 342} (( segid " " and resid 154 and name HN )) (( segid " " and resid 150 and name HA )) 3.600 1.600 1.600 peak 342 spectrum 1 weight 0.10000E+01 volume 0.68719E-03 ppm1 7.902 ppm2 3.442 CV 1 OR { 342} (( segid " " and resid 54 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 345} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HB2 )) 5.900 4.400 0.100 peak 345 spectrum 1 weight 0.10000E+01 volume 0.16859E-03 ppm1 7.903 ppm2 2.119 CV 1 OR { 345} (( segid " " and resid 154 and name HN )) (( segid " " and resid 155 and name HB1 )) ASSI { 347} (( segid " " and resid 54 and name HN )) ( segid " " and resid 52 and name HB% ) 4.000 2.000 2.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.13114E-02 ppm1 7.902 ppm2 1.825 CV 1 OR { 347} (( segid " " and resid 154 and name HN )) ( segid " " and resid 152 and name HB% ) ASSI { 348} (( segid " " and resid 54 and name HN )) (( segid " " and resid 56 and name HG2 )) 4.600 2.600 1.400 peak 348 spectrum 1 weight 0.10000E+01 volume 0.35281E-03 ppm1 7.903 ppm2 1.657 CV 1 OR { 348} (( segid " " and resid 154 and name HN )) (( segid " " and resid 156 and name HG2 )) OR { 348} (( segid " " and resid 54 and name HN )) (( segid " " and resid 56 and name HG1 )) OR { 348} (( segid " " and resid 154 and name HN )) (( segid " " and resid 156 and name HG1 )) ASSI { 350} (( segid " " and resid 154 and name HN )) (( segid " " and resid 150 and name HG2 )) 3.100 3.100 2.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.32113E-03 ppm1 7.903 ppm2 1.269 CV 1 OR { 350} (( segid " " and resid 54 and name HN )) (( segid " " and resid 50 and name HG2 )) OR { 350} (( segid " " and resid 154 and name HN )) (( segid " " and resid 150 and name HG1 )) OR { 350} (( segid " " and resid 54 and name HN )) (( segid " " and resid 50 and name HG1 )) ASSI { 351} (( segid " " and resid 54 and name HN )) ( segid " " and resid 58 and name HG2%) 4.600 2.600 1.400 peak 351 spectrum 1 weight 0.10000E+01 volume 0.53768E-03 ppm1 7.903 ppm2 1.179 CV 1 OR { 351} (( segid " " and resid 154 and name HN )) ( segid " " and resid 158 and name HG2%) ASSI { 352} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HN )) 3.600 1.600 1.600 peak 352 spectrum 1 weight 0.10000E+01 volume 0.11196E-02 ppm1 7.901 ppm2 8.273 CV 1 OR { 352} (( segid " " and resid 154 and name HN )) (( segid " " and resid 152 and name HN )) ASSI { 354} (( segid " " and resid 149 and name HN )) (( segid " " and resid 145 and name HA )) 5.100 3.300 0.900 peak 354 spectrum 1 weight 0.10000E+01 volume 0.10725E-03 ppm1 9.068 ppm2 3.968 CV 1 OR { 354} (( segid " " and resid 49 and name HN )) (( segid " " and resid 45 and name HA )) OR { 354} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HA )) OR { 354} (( segid " " and resid 141 and name HN )) (( segid " " and resid 145 and name HA )) ASSI { 355} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB2 )) 2.500 0.800 0.800 peak 355 spectrum 1 weight 0.10000E+01 volume 0.73854E-02 ppm1 9.068 ppm2 3.243 CV 1 OR { 355} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB1 )) OR { 355} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB1 )) ASSI { 356} (( segid " " and resid 49 and name HN )) ( segid " " and resid 52 and name HB% ) 4.000 2.000 2.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.10103E-02 ppm1 9.068 ppm2 1.795 CV 1 OR { 356} (( segid " " and resid 149 and name HN )) ( segid " " and resid 152 and name HB% ) OR { 356} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HB )) OR { 356} (( segid " " and resid 141 and name HN )) (( segid " " and resid 139 and name HB )) OR { 356} (( segid " " and resid 41 and name HN )) (( segid " " and resid 136 and name HB1 )) OR { 356} (( segid " " and resid 41 and name HN )) (( segid " " and resid 136 and name HB2 )) OR { 356} (( segid " " and resid 41 and name HN )) (( segid " " and resid 134 and name HB )) OR { 356} (( segid " " and resid 141 and name HN )) (( segid " " and resid 145 and name HD1 )) ASSI { 357} (( segid " " and resid 49 and name HN )) ( segid " " and resid 51 and name HB% ) 6.000 6.000 0.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.25317E-04 ppm1 9.068 ppm2 1.546 CV 1 OR { 357} (( segid " " and resid 149 and name HN )) ( segid " " and resid 151 and name HB% ) OR { 357} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HD1 )) OR { 357} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HD1 )) OR { 357} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HD2 )) OR { 357} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HD2 )) OR { 357} (( segid " " and resid 49 and name HN )) (( segid " " and resid 172 and name HB2 )) OR { 357} (( segid " " and resid 41 and name HN )) (( segid " " and resid 135 and name HD2 )) ASSI { 358} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HG1 )) 6.000 6.000 0.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.24859E-04 ppm1 9.069 ppm2 1.275 CV 1 OR { 358} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HG1 )) OR { 358} (( segid " " and resid 49 and name HN )) ( segid " " and resid 47 and name HG2%) OR { 358} (( segid " " and resid 149 and name HN )) ( segid " " and resid 147 and name HG2%) OR { 358} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HG2 )) OR { 358} (( segid " " and resid 149 and name HN )) (( segid " " and resid 150 and name HG2 )) OR { 358} (( segid " " and resid 149 and name HN )) (( segid " " and resid 160 and name HG12)) ASSI { 360} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HA )) 2.700 0.900 0.900 peak 360 spectrum 1 weight 0.10000E+01 volume 0.21792E-02 ppm1 9.067 ppm2 4.880 CV 1 OR { 360} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) ASSI { 361} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) 3.500 1.500 1.500 peak 361 spectrum 1 weight 0.10000E+01 volume 0.82487E-03 ppm1 9.067 ppm2 4.172 CV 1 OR { 361} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HA )) ASSI { 362} (( segid " " and resid 149 and name HN )) (( segid " " and resid 146 and name HA )) 3.500 1.500 1.500 peak 362 spectrum 1 weight 0.10000E+01 volume 0.13279E-02 ppm1 9.067 ppm2 3.865 CV 1 OR { 362} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 363} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB2 )) 2.100 0.500 0.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.41556E-02 ppm1 9.067 ppm2 3.097 CV 1 OR { 363} (( segid " " and resid 149 and name HN )) (( segid " " and resid 149 and name HB2 )) ASSI { 364} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB2 )) 3.300 1.400 1.400 peak 364 spectrum 1 weight 0.10000E+01 volume 0.80105E-03 ppm1 9.067 ppm2 2.097 CV 1 OR { 364} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB1 )) ASSI { 365} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB2 )) 2.900 1.100 1.100 peak 365 spectrum 1 weight 0.10000E+01 volume 0.21250E-02 ppm1 9.067 ppm2 1.938 CV 1 OR { 365} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HB1 )) OR { 365} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HG1 )) ASSI { 366} (( segid " " and resid 149 and name HN )) ( segid " " and resid 72 and name HD2%) 4.000 2.000 2.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.52464E-03 ppm1 9.067 ppm2 1.056 CV 1 OR { 366} (( segid " " and resid 49 and name HN )) ( segid " " and resid 172 and name HD2%) ASSI { 370} (( segid " " and resid 63 and name HN )) (( segid " " and resid 65 and name HN )) 5.500 3.800 0.500 peak 370 spectrum 1 weight 0.10000E+01 volume 0.51662E-04 ppm1 8.241 ppm2 7.919 CV 1 OR { 370} (( segid " " and resid 163 and name HN )) (( segid " " and resid 165 and name HN )) ASSI { 371} (( segid " " and resid 163 and name HN )) (( segid " " and resid 149 and name HZ )) 4.900 3.000 1.100 peak 371 spectrum 1 weight 0.10000E+01 volume 0.54099E-03 ppm1 8.241 ppm2 6.608 CV 1 OR { 371} (( segid " " and resid 63 and name HN )) (( segid " " and resid 49 and name HZ )) ASSI { 378} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HN )) 3.300 1.300 1.300 peak 378 spectrum 1 weight 0.10000E+01 volume 0.12242E-02 ppm1 8.400 ppm2 8.585 CV 1 OR { 378} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HN )) ASSI { 382} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 2.400 0.700 0.700 peak 382 spectrum 1 weight 0.10000E+01 volume 0.51551E-02 ppm1 8.400 ppm2 4.307 CV 1 OR { 382} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) OR { 382} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HA )) OR { 382} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) ASSI { 383} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB1 )) 5.900 4.300 0.100 peak 383 spectrum 1 weight 0.10000E+01 volume 0.48412E-04 ppm1 8.399 ppm2 3.174 CV 1 OR { 383} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB1 )) OR { 383} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HD1 )) OR { 383} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HD1 )) ASSI { 384} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB2 )) 4.500 2.500 1.500 peak 384 spectrum 1 weight 0.10000E+01 volume 0.40484E-03 ppm1 8.400 ppm2 2.864 CV 1 OR { 384} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB1 )) ASSI { 385} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB2 )) 4.000 2.000 2.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.77554E-03 ppm1 8.400 ppm2 2.766 CV 1 OR { 385} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB1 )) ASSI { 386} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HB2 )) 2.900 1.000 1.000 peak 386 spectrum 1 weight 0.10000E+01 volume 0.24529E-02 ppm1 8.400 ppm2 1.876 CV 1 OR { 386} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB1 )) ASSI { 388} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HG1 )) 3.400 1.400 1.400 peak 388 spectrum 1 weight 0.10000E+01 volume 0.36315E-02 ppm1 8.400 ppm2 1.606 CV 1 OR { 388} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HG1 )) OR { 388} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HG2 )) OR { 388} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HG2 )) ASSI { 391} (( segid " " and resid 52 and name HN )) (( segid " " and resid 48 and name HG2 )) 3.000 1.100 1.100 peak 391 spectrum 1 weight 0.10000E+01 volume 0.28209E-02 ppm1 8.270 ppm2 1.656 CV 1 OR { 391} (( segid " " and resid 152 and name HN )) (( segid " " and resid 156 and name HG1 )) OR { 391} (( segid " " and resid 52 and name HN )) (( segid " " and resid 56 and name HG1 )) OR { 391} (( segid " " and resid 52 and name HN )) (( segid " " and resid 56 and name HG2 )) OR { 391} (( segid " " and resid 152 and name HN )) (( segid " " and resid 156 and name HG2 )) OR { 391} (( segid " " and resid 152 and name HN )) (( segid " " and resid 163 and name HB )) ASSI { 393} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HN )) 2.400 0.700 0.700 peak 393 spectrum 1 weight 0.10000E+01 volume 0.34268E-02 ppm1 8.240 ppm2 7.659 CV 1 OR { 393} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HN )) ASSI { 394} (( segid " " and resid 63 and name HN )) ( segid " " and resid 49 and name HE% ) 5.000 3.200 1.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.42223E-03 ppm1 8.241 ppm2 6.505 CV 1 OR { 394} (( segid " " and resid 163 and name HN )) ( segid " " and resid 149 and name HE% ) ASSI { 396} (( segid " " and resid 63 and name HN )) (( segid " " and resid 60 and name HA )) 4.400 2.400 1.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.71464E-03 ppm1 8.240 ppm2 3.146 CV 1 OR { 396} (( segid " " and resid 163 and name HN )) (( segid " " and resid 160 and name HA )) ASSI { 397} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB2 )) 2.900 1.100 1.100 peak 397 spectrum 1 weight 0.10000E+01 volume 0.23988E-02 ppm1 8.240 ppm2 2.709 CV 1 OR { 397} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB2 )) ASSI { 398} (( segid " " and resid 163 and name HN )) (( segid " " and resid 162 and name HB1 )) 2.700 0.900 0.900 peak 398 spectrum 1 weight 0.10000E+01 volume 0.25570E-02 ppm1 8.240 ppm2 2.588 CV 1 OR { 398} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB1 )) ASSI { 399} (( segid " " and resid 34 and name HN )) (( segid " " and resid 143 and name HB2 )) 6.000 6.000 0.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.24845E-04 ppm1 8.241 ppm2 2.102 CV 1 OR { 399} (( segid " " and resid 134 and name HN )) (( segid " " and resid 43 and name HB2 )) OR { 399} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HB )) OR { 399} (( segid " " and resid 163 and name HN )) (( segid " " and resid 164 and name HB )) ASSI { 402} (( segid " " and resid 63 and name HN )) ( segid " " and resid 60 and name HG2%) 5.300 3.500 0.700 peak 402 spectrum 1 weight 0.10000E+01 volume 0.20180E-03 ppm1 8.240 ppm2 0.620 CV 1 OR { 402} (( segid " " and resid 163 and name HN )) ( segid " " and resid 68 and name HG2%) ASSI { 407} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HD2 )) 6.000 6.000 0.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.24323E-04 ppm1 8.156 ppm2 3.200 CV 1 OR { 407} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HD2 )) OR { 407} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HD1 )) OR { 407} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HD1 )) ASSI { 408} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HN )) 3.500 1.500 1.500 peak 408 spectrum 1 weight 0.10000E+01 volume 0.21998E-02 ppm1 8.154 ppm2 8.262 CV 1 OR { 408} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HN )) ASSI { 412} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA )) 2.000 0.500 0.500 peak 412 spectrum 1 weight 0.10000E+01 volume 0.16235E-01 ppm1 8.155 ppm2 4.237 CV 1 OR { 412} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) ASSI { 413} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HG2 )) 5.000 3.100 1.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.35736E-03 ppm1 8.155 ppm2 2.272 CV 1 OR { 413} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HG2 )) OR { 413} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HG1 )) OR { 413} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HG1 )) ASSI { 414} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB1 )) 3.400 1.500 1.500 peak 414 spectrum 1 weight 0.10000E+01 volume 0.21247E-02 ppm1 8.155 ppm2 2.053 CV 1 OR { 414} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HB1 )) ASSI { 415} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB2 )) 4.600 2.700 1.400 peak 415 spectrum 1 weight 0.10000E+01 volume 0.83949E-03 ppm1 8.155 ppm2 1.968 CV 1 OR { 415} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HB2 )) ASSI { 417} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB2 )) 2.400 0.700 0.700 peak 417 spectrum 1 weight 0.10000E+01 volume 0.78549E-02 ppm1 8.155 ppm2 1.767 CV 1 OR { 417} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB2 )) OR { 417} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB1 )) OR { 417} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB1 )) ASSI { 418} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HG1 )) 3.000 1.100 1.100 peak 418 spectrum 1 weight 0.10000E+01 volume 0.37293E-02 ppm1 8.155 ppm2 1.616 CV 1 OR { 418} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HG1 )) OR { 418} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HG2 )) OR { 418} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HG2 )) ASSI { 419} (( segid " " and resid 123 and name HN )) ( segid " " and resid 124 and name HG2%) 4.200 2.200 1.800 peak 419 spectrum 1 weight 0.10000E+01 volume 0.53621E-03 ppm1 8.155 ppm2 0.941 CV 1 OR { 419} (( segid " " and resid 23 and name HN )) ( segid " " and resid 24 and name HG2%) OR { 419} (( segid " " and resid 23 and name HN )) ( segid " " and resid 24 and name HG1%) OR { 419} (( segid " " and resid 123 and name HN )) ( segid " " and resid 124 and name HG1%) OR { 419} (( segid " " and resid 23 and name HN )) ( segid " " and resid 25 and name HG2%) ASSI { 430} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB2 )) 3.900 1.900 1.900 peak 430 spectrum 1 weight 0.10000E+01 volume 0.14226E-02 ppm1 8.093 ppm2 2.741 CV 1 OR { 430} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB1 )) ASSI { 431} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB2 )) 4.000 2.000 2.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.12275E-02 ppm1 8.093 ppm2 2.616 CV 1 OR { 431} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HB1 )) ASSI { 433} (( segid " " and resid 121 and name HN )) ( segid " " and resid 121 and name HD2%) 4.300 2.300 1.700 peak 433 spectrum 1 weight 0.10000E+01 volume 0.12592E-02 ppm1 8.093 ppm2 0.935 CV 1 OR { 433} (( segid " " and resid 21 and name HN )) ( segid " " and resid 21 and name HD2%) ASSI { 434} (( segid " " and resid 21 and name HN )) ( segid " " and resid 21 and name HD1%) 4.200 2.200 1.800 peak 434 spectrum 1 weight 0.10000E+01 volume 0.89487E-03 ppm1 8.094 ppm2 0.864 CV 1 OR { 434} (( segid " " and resid 121 and name HN )) ( segid " " and resid 121 and name HD1%) ASSI { 438} (( segid " " and resid 152 and name HN )) (( segid " " and resid 155 and name HN )) 6.000 6.000 0.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.25413E-04 ppm1 8.275 ppm2 8.016 CV 1 OR { 438} (( segid " " and resid 52 and name HN )) (( segid " " and resid 55 and name HN )) OR { 438} (( segid " " and resid 52 and name HN )) (( segid " " and resid 48 and name HN )) ASSI { 439} (( segid " " and resid 52 and name HN )) (( segid " " and resid 171 and name HZ3 )) 5.600 3.900 0.400 peak 439 spectrum 1 weight 0.10000E+01 volume 0.23281E-03 ppm1 8.274 ppm2 7.123 CV 1 OR { 439} (( segid " " and resid 152 and name HN )) (( segid " " and resid 71 and name HZ3 )) ASSI { 440} (( segid " " and resid 152 and name HN )) (( segid " " and resid 150 and name HN )) 3.900 1.900 1.900 peak 440 spectrum 1 weight 0.10000E+01 volume 0.58201E-03 ppm1 8.274 ppm2 9.069 CV 1 OR { 440} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HN )) OR { 440} (( segid " " and resid 52 and name HN )) (( segid " " and resid 49 and name HN )) ASSI { 441} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HN )) 2.300 0.700 0.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.58789E-02 ppm1 8.274 ppm2 8.446 CV 1 OR { 441} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HN )) ASSI { 446} (( segid " " and resid 52 and name HN )) (( segid " " and resid 171 and name HH2 )) 6.000 6.000 0.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.99041E-04 ppm1 8.274 ppm2 6.796 CV 1 OR { 446} (( segid " " and resid 152 and name HN )) (( segid " " and resid 71 and name HH2 )) ASSI { 447} (( segid " " and resid 52 and name HN )) (( segid " " and resid 49 and name HA )) 3.300 1.400 1.400 peak 447 spectrum 1 weight 0.10000E+01 volume 0.99904E-03 ppm1 8.274 ppm2 4.880 CV 1 OR { 447} (( segid " " and resid 152 and name HN )) (( segid " " and resid 149 and name HA )) ASSI { 449} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA )) 2.900 1.000 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.49131E-02 ppm1 8.274 ppm2 4.215 CV 1 OR { 449} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HA )) ASSI { 450} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HA )) 5.100 3.300 0.900 peak 450 spectrum 1 weight 0.10000E+01 volume 0.35231E-03 ppm1 8.273 ppm2 3.977 CV 1 OR { 450} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HA )) ASSI { 451} (( segid " " and resid 152 and name HN )) (( segid " " and resid 72 and name HA )) 6.000 6.000 0.000 peak 451 spectrum 1 weight 0.10000E+01 volume 0.25461E-04 ppm1 8.273 ppm2 3.883 CV 1 OR { 451} (( segid " " and resid 52 and name HN )) (( segid " " and resid 172 and name HA )) OR { 451} (( segid " " and resid 52 and name HN )) (( segid " " and resid 176 and name HA )) ASSI { 452} (( segid " " and resid 152 and name HN )) (( segid " " and resid 150 and name HA )) 4.900 3.000 1.100 peak 452 spectrum 1 weight 0.10000E+01 volume 0.20537E-03 ppm1 8.273 ppm2 3.433 CV 1 OR { 452} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HA )) OR { 452} (( segid " " and resid 152 and name HN )) (( segid " " and resid 155 and name HD1 )) ASSI { 453} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HB2 )) 5.500 3.800 0.500 peak 453 spectrum 1 weight 0.10000E+01 volume 0.31429E-03 ppm1 8.274 ppm2 2.801 CV 1 OR { 453} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HB2 )) ASSI { 454} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HB1 )) 4.500 2.500 1.500 peak 454 spectrum 1 weight 0.10000E+01 volume 0.57726E-03 ppm1 8.272 ppm2 2.267 CV 1 OR { 454} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HB1 )) OR { 454} (( segid " " and resid 152 and name HN )) (( segid " " and resid 76 and name HG2 )) OR { 454} (( segid " " and resid 52 and name HN )) (( segid " " and resid 176 and name HG2 )) ASSI { 457} (( segid " " and resid 152 and name HN )) ( segid " " and resid 147 and name HG2%) 3.600 1.600 1.600 peak 457 spectrum 1 weight 0.10000E+01 volume 0.26132E-03 ppm1 8.273 ppm2 1.272 CV 1 OR { 457} (( segid " " and resid 52 and name HN )) ( segid " " and resid 47 and name HG2%) OR { 457} (( segid " " and resid 152 and name HN )) (( segid " " and resid 150 and name HG1 )) OR { 457} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HG1 )) OR { 457} (( segid " " and resid 152 and name HN )) (( segid " " and resid 160 and name HG12)) OR { 457} (( segid " " and resid 52 and name HN )) (( segid " " and resid 60 and name HG12)) ASSI { 460} (( segid " " and resid 45 and name HN )) (( segid " " and resid 42 and name HN )) 4.900 3.000 1.100 peak 460 spectrum 1 weight 0.10000E+01 volume 0.18145E-03 ppm1 7.920 ppm2 9.219 CV 1 OR { 460} (( segid " " and resid 145 and name HN )) (( segid " " and resid 142 and name HN )) ASSI { 461} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HN )) 2.300 0.700 0.700 peak 461 spectrum 1 weight 0.10000E+01 volume 0.52073E-02 ppm1 7.921 ppm2 8.847 CV 1 OR { 461} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HN )) OR { 461} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HN )) ASSI { 462} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HN )) 2.200 0.600 0.600 peak 462 spectrum 1 weight 0.10000E+01 volume 0.65959E-02 ppm1 7.920 ppm2 8.719 CV 1 OR { 462} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HN )) ASSI { 464} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HA )) 3.100 1.200 1.200 peak 464 spectrum 1 weight 0.10000E+01 volume 0.19955E-02 ppm1 7.920 ppm2 4.188 CV 1 OR { 464} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA )) ASSI { 466} (( segid " " and resid 145 and name HN )) (( segid " " and resid 143 and name HA )) 3.700 1.700 1.700 peak 466 spectrum 1 weight 0.10000E+01 volume 0.13537E-02 ppm1 7.921 ppm2 3.876 CV 1 OR { 466} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HA )) OR { 466} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HA )) OR { 466} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 467} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HB1 )) 5.100 3.200 0.900 peak 467 spectrum 1 weight 0.10000E+01 volume 0.42986E-03 ppm1 7.921 ppm2 3.374 CV 1 OR { 467} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HB1 )) ASSI { 468} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HE1 )) 5.500 3.800 0.500 peak 468 spectrum 1 weight 0.10000E+01 volume 0.25336E-03 ppm1 7.920 ppm2 3.163 CV 1 OR { 468} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HE2 )) ASSI { 469} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HB2 )) 6.000 5.600 0.000 peak 469 spectrum 1 weight 0.10000E+01 volume 0.48985E-04 ppm1 7.922 ppm2 2.963 CV 1 OR { 469} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HB2 )) ASSI { 470} (( segid " " and resid 145 and name HN )) (( segid " " and resid 142 and name HB1 )) 3.300 1.400 1.400 peak 470 spectrum 1 weight 0.10000E+01 volume 0.16449E-02 ppm1 7.921 ppm2 2.845 CV 1 OR { 470} (( segid " " and resid 45 and name HN )) (( segid " " and resid 42 and name HB1 )) OR { 470} (( segid " " and resid 45 and name HN )) (( segid " " and resid 41 and name HB1 )) ASSI { 472} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HG1 )) 4.500 2.500 1.500 peak 472 spectrum 1 weight 0.10000E+01 volume 0.92399E-03 ppm1 7.920 ppm2 2.428 CV 1 OR { 472} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HG1 )) OR { 472} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HG2 )) OR { 472} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HG2 )) ASSI { 474} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HB2 )) 2.000 0.500 0.500 peak 474 spectrum 1 weight 0.10000E+01 volume 0.15451E-01 ppm1 7.921 ppm2 2.176 CV 1 OR { 474} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB2 )) OR { 474} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HB1 )) OR { 474} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HB1 )) ASSI { 475} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB2 )) 2.200 0.600 0.600 peak 475 spectrum 1 weight 0.10000E+01 volume 0.62776E-02 ppm1 7.921 ppm2 2.006 CV 1 OR { 475} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB2 )) OR { 475} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB1 )) OR { 475} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HB1 )) ASSI { 476} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HD2 )) 4.200 2.200 1.800 peak 476 spectrum 1 weight 0.10000E+01 volume 0.99188E-03 ppm1 7.920 ppm2 1.817 CV 1 OR { 476} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HD2 )) OR { 476} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HD1 )) OR { 476} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HD1 )) ASSI { 477} (( segid " " and resid 45 and name HN )) (( segid " " and resid 135 and name HD2 )) 3.700 3.700 2.300 peak 477 spectrum 1 weight 0.10000E+01 volume 0.18991E-02 ppm1 7.920 ppm2 1.514 CV 1 OR { 477} (( segid " " and resid 145 and name HN )) (( segid " " and resid 35 and name HD1 )) OR { 477} (( segid " " and resid 45 and name HN )) (( segid " " and resid 173 and name HG2 )) OR { 477} (( segid " " and resid 145 and name HN )) (( segid " " and resid 150 and name HD1 )) OR { 477} (( segid " " and resid 145 and name HN )) ( segid " " and resid 151 and name HB% ) OR { 477} (( segid " " and resid 45 and name HN )) ( segid " " and resid 51 and name HB% ) ASSI { 478} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HG2 )) 3.000 1.100 1.100 peak 478 spectrum 1 weight 0.10000E+01 volume 0.11480E-02 ppm1 7.921 ppm2 1.427 CV 1 OR { 478} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HG2 )) OR { 478} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HG1 )) OR { 478} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HG1 )) ASSI { 479} (( segid " " and resid 145 and name HN )) (( segid " " and resid 142 and name HA )) 6.000 5.100 0.000 peak 479 spectrum 1 weight 0.10000E+01 volume 0.53266E-04 ppm1 7.918 ppm2 4.817 CV 1 OR { 479} (( segid " " and resid 45 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 486} (( segid " " and resid 33 and name HN )) (( segid " " and resid 143 and name HN )) 4.300 2.300 1.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.47487E-03 ppm1 8.349 ppm2 8.824 CV 1 OR { 486} (( segid " " and resid 133 and name HN )) (( segid " " and resid 43 and name HN )) ASSI { 489} (( segid " " and resid 133 and name HN )) (( segid " " and resid 134 and name HN )) 2.800 1.000 1.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.29198E-02 ppm1 8.349 ppm2 8.232 CV 1 OR { 489} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HN )) ASSI { 490} (( segid " " and resid 133 and name HN )) (( segid " " and resid 42 and name HA )) 3.400 3.400 2.600 peak 490 spectrum 1 weight 0.10000E+01 volume 0.27616E-02 ppm1 8.348 ppm2 4.822 CV 1 OR { 490} (( segid " " and resid 33 and name HN )) (( segid " " and resid 142 and name HA )) ASSI { 491} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HA )) 3.600 1.600 1.600 peak 491 spectrum 1 weight 0.10000E+01 volume 0.15339E-02 ppm1 8.348 ppm2 4.511 CV 1 OR { 491} (( segid " " and resid 133 and name HN )) (( segid " " and resid 131 and name HA )) OR { 491} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HA )) ASSI { 492} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA )) 2.400 0.700 0.700 peak 492 spectrum 1 weight 0.10000E+01 volume 0.78878E-02 ppm1 8.349 ppm2 4.417 CV 1 OR { 492} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HA )) ASSI { 493} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA2 )) 2.100 0.600 0.600 peak 493 spectrum 1 weight 0.10000E+01 volume 0.19200E-01 ppm1 8.349 ppm2 4.027 CV 1 OR { 493} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HA2 )) OR { 493} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA1 )) OR { 493} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HA1 )) ASSI { 494} (( segid " " and resid 133 and name HN )) (( segid " " and resid 131 and name HB1 )) 3.500 1.500 1.500 peak 494 spectrum 1 weight 0.10000E+01 volume 0.11594E-02 ppm1 8.349 ppm2 3.931 CV 1 OR { 494} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HB1 )) OR { 494} (( segid " " and resid 133 and name HN )) (( segid " " and resid 131 and name HB2 )) OR { 494} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HB2 )) ASSI { 495} (( segid " " and resid 33 and name HN )) (( segid " " and resid 143 and name HG1 )) 5.000 3.100 1.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.28407E-03 ppm1 8.349 ppm2 2.283 CV 1 OR { 495} (( segid " " and resid 133 and name HN )) (( segid " " and resid 43 and name HG1 )) OR { 495} (( segid " " and resid 33 and name HN )) (( segid " " and resid 143 and name HG2 )) ASSI { 496} (( segid " " and resid 33 and name HN )) (( segid " " and resid 143 and name HB2 )) 3.900 1.900 1.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.87719E-03 ppm1 8.348 ppm2 2.070 CV 1 OR { 496} (( segid " " and resid 133 and name HN )) (( segid " " and resid 43 and name HB2 )) OR { 496} (( segid " " and resid 33 and name HN )) (( segid " " and resid 143 and name HB1 )) ASSI { 498} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB1 )) 2.500 0.800 0.800 peak 498 spectrum 1 weight 0.10000E+01 volume 0.15712E-01 ppm1 8.349 ppm2 1.769 CV 1 OR { 498} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HB1 )) ASSI { 501} (( segid " " and resid 133 and name HN )) (( segid " " and resid 134 and name HG11)) 4.700 2.700 1.300 peak 501 spectrum 1 weight 0.10000E+01 volume 0.20492E-03 ppm1 8.351 ppm2 1.209 CV 1 OR { 501} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HG12)) ASSI { 502} (( segid " " and resid 133 and name HN )) ( segid " " and resid 134 and name HD1%) 4.000 2.000 2.000 peak 502 spectrum 1 weight 0.10000E+01 volume 0.81632E-03 ppm1 8.349 ppm2 0.726 CV 1 OR { 502} (( segid " " and resid 33 and name HN )) ( segid " " and resid 34 and name HD1%) OR { 502} (( segid " " and resid 133 and name HN )) ( segid " " and resid 134 and name HG2%) ASSI { 503} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HN )) 2.200 0.600 0.600 peak 503 spectrum 1 weight 0.10000E+01 volume 0.65066E-02 ppm1 8.187 ppm2 8.675 CV 1 OR { 503} (( segid " " and resid 169 and name HN )) (( segid " " and resid 168 and name HN )) ASSI { 504} (( segid " " and resid 69 and name HN )) (( segid " " and resid 67 and name HN )) 3.100 1.200 1.200 peak 504 spectrum 1 weight 0.10000E+01 volume 0.18967E-02 ppm1 8.188 ppm2 8.563 CV 1 OR { 504} (( segid " " and resid 169 and name HN )) (( segid " " and resid 167 and name HN )) ASSI { 506} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HN )) 2.300 0.600 0.600 peak 506 spectrum 1 weight 0.10000E+01 volume 0.56507E-02 ppm1 8.188 ppm2 7.717 CV 1 OR { 506} (( segid " " and resid 169 and name HN )) (( segid " " and resid 170 and name HN )) ASSI { 507} (( segid " " and resid 69 and name HN )) ( segid " " and resid 141 and name HE% ) 6.000 6.000 0.000 peak 507 spectrum 1 weight 0.10000E+01 volume 0.24751E-04 ppm1 8.188 ppm2 6.951 CV 1 OR { 507} (( segid " " and resid 69 and name HN )) (( segid " " and resid 66 and name HE21)) OR { 507} (( segid " " and resid 69 and name HN )) ( segid " " and resid 149 and name HD% ) ASSI { 508} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HA )) 5.300 3.500 0.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.33326E-03 ppm1 8.187 ppm2 4.493 CV 1 OR { 508} (( segid " " and resid 169 and name HN )) (( segid " " and resid 170 and name HA )) ASSI { 510} (( segid " " and resid 69 and name HN )) (( segid " " and resid 66 and name HA )) 2.700 0.900 0.900 peak 510 spectrum 1 weight 0.10000E+01 volume 0.47379E-02 ppm1 8.188 ppm2 4.159 CV 1 OR { 510} (( segid " " and resid 169 and name HN )) (( segid " " and resid 166 and name HA )) OR { 510} (( segid " " and resid 69 and name HN )) (( segid " " and resid 67 and name HA )) ASSI { 511} (( segid " " and resid 69 and name HN )) (( segid " " and resid 65 and name HA )) 3.300 1.300 1.300 peak 511 spectrum 1 weight 0.10000E+01 volume 0.12165E-02 ppm1 8.188 ppm2 3.914 CV 1 OR { 511} (( segid " " and resid 169 and name HN )) (( segid " " and resid 165 and name HA )) ASSI { 513} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HA )) 3.000 1.100 1.100 peak 513 spectrum 1 weight 0.10000E+01 volume 0.19492E-02 ppm1 8.188 ppm2 3.286 CV 1 OR { 513} (( segid " " and resid 169 and name HN )) (( segid " " and resid 168 and name HA )) OR { 513} (( segid " " and resid 69 and name HN )) (( segid " " and resid 71 and name HB1 )) OR { 513} (( segid " " and resid 169 and name HN )) (( segid " " and resid 171 and name HB1 )) OR { 513} (( segid " " and resid 69 and name HN )) (( segid " " and resid 71 and name HB2 )) ASSI { 514} (( segid " " and resid 169 and name HN )) (( segid " " and resid 170 and name HB2 )) 4.100 2.100 1.900 peak 514 spectrum 1 weight 0.10000E+01 volume 0.14189E-02 ppm1 8.188 ppm2 3.084 CV 1 OR { 514} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HB2 )) OR { 514} (( segid " " and resid 169 and name HN )) (( segid " " and resid 170 and name HB1 )) OR { 514} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HB1 )) ASSI { 515} (( segid " " and resid 169 and name HN )) (( segid " " and resid 169 and name HB2 )) 2.000 0.500 0.500 peak 515 spectrum 1 weight 0.10000E+01 volume 0.10347E-01 ppm1 8.188 ppm2 2.978 CV 1 OR { 515} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB2 )) ASSI { 516} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB1 )) 2.700 0.900 0.900 peak 516 spectrum 1 weight 0.10000E+01 volume 0.85308E-02 ppm1 8.188 ppm2 2.666 CV 1 OR { 516} (( segid " " and resid 169 and name HN )) (( segid " " and resid 169 and name HB1 )) ASSI { 517} (( segid " " and resid 69 and name HN )) (( segid " " and resid 66 and name HB1 )) 6.000 6.000 0.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.26631E-04 ppm1 8.188 ppm2 2.261 CV 1 OR { 517} (( segid " " and resid 169 and name HN )) (( segid " " and resid 166 and name HB1 )) OR { 517} (( segid " " and resid 69 and name HN )) (( segid " " and resid 66 and name HB2 )) ASSI { 518} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB )) 2.600 0.800 0.800 peak 518 spectrum 1 weight 0.10000E+01 volume 0.54625E-02 ppm1 8.188 ppm2 1.921 CV 1 OR { 518} (( segid " " and resid 169 and name HN )) (( segid " " and resid 168 and name HB )) OR { 518} (( segid " " and resid 69 and name HN )) (( segid " " and resid 67 and name HB2 )) OR { 518} (( segid " " and resid 169 and name HN )) (( segid " " and resid 167 and name HB2 )) OR { 518} (( segid " " and resid 69 and name HN )) (( segid " " and resid 167 and name HB2 )) OR { 518} (( segid " " and resid 169 and name HN )) (( segid " " and resid 67 and name HB2 )) OR { 518} (( segid " " and resid 69 and name HN )) (( segid " " and resid 167 and name HB1 )) ASSI { 519} (( segid " " and resid 69 and name HN )) (( segid " " and resid 72 and name HB2 )) 4.600 2.700 1.400 peak 519 spectrum 1 weight 0.10000E+01 volume 0.23623E-03 ppm1 8.188 ppm2 1.579 CV 1 OR { 519} (( segid " " and resid 169 and name HN )) (( segid " " and resid 172 and name HB2 )) ASSI { 520} (( segid " " and resid 69 and name HN )) ( segid " " and resid 167 and name HD1%) 4.700 2.800 1.300 peak 520 spectrum 1 weight 0.10000E+01 volume 0.40699E-03 ppm1 8.189 ppm2 1.070 CV 1 OR { 520} (( segid " " and resid 169 and name HN )) ( segid " " and resid 67 and name HD2%) OR { 520} (( segid " " and resid 69 and name HN )) ( segid " " and resid 67 and name HD2%) ASSI { 522} (( segid " " and resid 169 and name HN )) ( segid " " and resid 168 and name HG2%) 3.100 1.200 1.200 peak 522 spectrum 1 weight 0.10000E+01 volume 0.41647E-02 ppm1 8.188 ppm2 0.605 CV 1 OR { 522} (( segid " " and resid 69 and name HN )) ( segid " " and resid 68 and name HG2%) ASSI { 523} (( segid " " and resid 169 and name HN )) ( segid " " and resid 168 and name HG1%) 2.700 0.900 0.900 peak 523 spectrum 1 weight 0.10000E+01 volume 0.30387E-02 ppm1 8.187 ppm2 0.052 CV 1 OR { 523} (( segid " " and resid 69 and name HN )) ( segid " " and resid 68 and name HG1%) ASSI { 529} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HN )) 2.400 0.700 0.700 peak 529 spectrum 1 weight 0.10000E+01 volume 0.38825E-02 ppm1 8.036 ppm2 9.067 CV 1 OR { 529} (( segid " " and resid 148 and name HN )) (( segid " " and resid 149 and name HN )) ASSI { 530} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HN )) 6.000 5.300 0.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.24451E-04 ppm1 8.035 ppm2 8.847 CV 1 OR { 530} (( segid " " and resid 148 and name HN )) (( segid " " and resid 146 and name HN )) ASSI { 532} (( segid " " and resid 48 and name HN )) (( segid " " and resid 52 and name HN )) 4.300 2.300 1.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.62418E-03 ppm1 8.036 ppm2 8.252 CV 1 OR { 532} (( segid " " and resid 148 and name HN )) (( segid " " and resid 152 and name HN )) ASSI { 534} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HA )) 5.700 4.100 0.300 peak 534 spectrum 1 weight 0.10000E+01 volume 0.16096E-03 ppm1 8.037 ppm2 4.852 CV 1 OR { 534} (( segid " " and resid 148 and name HN )) (( segid " " and resid 149 and name HA )) ASSI { 536} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HA )) 2.400 0.700 0.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.54825E-02 ppm1 8.036 ppm2 4.174 CV 1 OR { 536} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 537} (( segid " " and resid 148 and name HN )) (( segid " " and resid 145 and name HA )) 3.300 1.300 1.300 peak 537 spectrum 1 weight 0.10000E+01 volume 0.10541E-02 ppm1 8.036 ppm2 3.966 CV 1 OR { 537} (( segid " " and resid 48 and name HN )) (( segid " " and resid 45 and name HA )) ASSI { 538} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HA )) 3.500 1.500 1.500 peak 538 spectrum 1 weight 0.10000E+01 volume 0.10213E-02 ppm1 8.037 ppm2 3.654 CV 1 OR { 538} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) ASSI { 539} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HD2 )) 4.100 2.100 1.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.13446E-02 ppm1 8.036 ppm2 3.381 CV 1 OR { 539} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HB1 )) OR { 539} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HD1 )) ASSI { 540} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HD2 )) 6.000 5.100 0.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.14873E-03 ppm1 8.036 ppm2 3.238 CV 1 OR { 540} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HD1 )) OR { 540} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HB1 )) OR { 540} (( segid " " and resid 148 and name HN )) (( segid " " and resid 149 and name HB1 )) ASSI { 542} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB2 )) 2.300 0.600 0.600 peak 542 spectrum 1 weight 0.10000E+01 volume 0.51125E-02 ppm1 8.036 ppm2 2.098 CV 1 OR { 542} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB1 )) ASSI { 543} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB2 )) 2.200 0.600 0.600 peak 543 spectrum 1 weight 0.10000E+01 volume 0.86128E-02 ppm1 8.036 ppm2 1.953 CV 1 OR { 543} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HG1 )) OR { 543} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB1 )) ASSI { 544} (( segid " " and resid 48 and name HN )) ( segid " " and resid 52 and name HB% ) 3.400 3.400 2.600 peak 544 spectrum 1 weight 0.10000E+01 volume 0.31306E-02 ppm1 8.036 ppm2 1.776 CV 1 OR { 544} (( segid " " and resid 148 and name HN )) ( segid " " and resid 152 and name HB% ) ASSI { 545} (( segid " " and resid 48 and name HN )) ( segid " " and resid 51 and name HB% ) 4.600 2.700 1.400 peak 545 spectrum 1 weight 0.10000E+01 volume 0.52487E-03 ppm1 8.037 ppm2 1.546 CV 1 OR { 545} (( segid " " and resid 148 and name HN )) ( segid " " and resid 151 and name HB% ) OR { 545} (( segid " " and resid 148 and name HN )) (( segid " " and resid 150 and name HD1 )) OR { 545} (( segid " " and resid 148 and name HN )) (( segid " " and resid 72 and name HB2 )) OR { 545} (( segid " " and resid 48 and name HN )) (( segid " " and resid 172 and name HB2 )) ASSI { 550} (( segid " " and resid 172 and name HN )) (( segid " " and resid 171 and name HE3 )) 2.600 0.800 0.800 peak 550 spectrum 1 weight 0.10000E+01 volume 0.19842E-02 ppm1 9.441 ppm2 7.260 CV 1 OR { 550} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HE3 )) ASSI { 551} (( segid " " and resid 172 and name HN )) (( segid " " and resid 174 and name HN )) 4.200 2.200 1.800 peak 551 spectrum 1 weight 0.10000E+01 volume 0.72944E-03 ppm1 9.441 ppm2 7.110 CV 1 OR { 551} (( segid " " and resid 172 and name HN )) (( segid " " and resid 171 and name HZ3 )) OR { 551} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HZ3 )) ASSI { 552} (( segid " " and resid 72 and name HN )) (( segid " " and resid 69 and name HA )) 3.500 1.500 1.500 peak 552 spectrum 1 weight 0.10000E+01 volume 0.77272E-03 ppm1 9.442 ppm2 4.381 CV 1 OR { 552} (( segid " " and resid 172 and name HN )) (( segid " " and resid 169 and name HA )) ASSI { 553} (( segid " " and resid 172 and name HN )) (( segid " " and resid 171 and name HA )) 3.400 1.500 1.500 peak 553 spectrum 1 weight 0.10000E+01 volume 0.14440E-02 ppm1 9.442 ppm2 4.188 CV 1 OR { 553} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) OR { 553} (( segid " " and resid 72 and name HN )) (( segid " " and resid 167 and name HA )) ASSI { 555} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB1 )) 2.000 0.500 0.500 peak 555 spectrum 1 weight 0.10000E+01 volume 0.57423E-02 ppm1 9.441 ppm2 3.339 CV 1 OR { 555} (( segid " " and resid 172 and name HN )) (( segid " " and resid 171 and name HB1 )) OR { 555} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB2 )) OR { 555} (( segid " " and resid 172 and name HN )) (( segid " " and resid 171 and name HB2 )) ASSI { 556} (( segid " " and resid 172 and name HN )) (( segid " " and resid 169 and name HB2 )) 6.000 6.000 0.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.26161E-04 ppm1 9.443 ppm2 2.978 CV 1 OR { 556} (( segid " " and resid 72 and name HN )) (( segid " " and resid 69 and name HB2 )) ASSI { 557} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB1 )) 2.300 0.700 0.700 peak 557 spectrum 1 weight 0.10000E+01 volume 0.79809E-02 ppm1 9.441 ppm2 2.080 CV 1 OR { 557} (( segid " " and resid 172 and name HN )) (( segid " " and resid 172 and name HB1 )) ASSI { 558} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HG )) 2.900 1.100 1.100 peak 558 spectrum 1 weight 0.10000E+01 volume 0.70128E-02 ppm1 9.442 ppm2 2.001 CV 1 OR { 558} (( segid " " and resid 172 and name HN )) (( segid " " and resid 172 and name HG )) OR { 558} (( segid " " and resid 72 and name HN )) (( segid " " and resid 167 and name HG )) ASSI { 559} (( segid " " and resid 172 and name HN )) (( segid " " and resid 172 and name HB2 )) 2.100 0.500 0.500 peak 559 spectrum 1 weight 0.10000E+01 volume 0.36468E-02 ppm1 9.441 ppm2 1.569 CV 1 OR { 559} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) ASSI { 560} (( segid " " and resid 172 and name HN )) ( segid " " and resid 67 and name HD2%) 3.400 1.500 1.500 peak 560 spectrum 1 weight 0.10000E+01 volume 0.32471E-02 ppm1 9.441 ppm2 1.059 CV 1 OR { 560} (( segid " " and resid 172 and name HN )) ( segid " " and resid 172 and name HD2%) OR { 560} (( segid " " and resid 72 and name HN )) ( segid " " and resid 72 and name HD2%) ASSI { 562} (( segid " " and resid 72 and name HN )) ( segid " " and resid 167 and name HD2%) 4.500 2.500 1.500 peak 562 spectrum 1 weight 0.10000E+01 volume 0.39656E-03 ppm1 9.442 ppm2 0.574 CV 1 OR { 562} (( segid " " and resid 72 and name HN )) ( segid " " and resid 68 and name HG2%) ASSI { 563} (( segid " " and resid 72 and name HN )) ( segid " " and resid 68 and name HG1%) 3.800 1.800 1.800 peak 563 spectrum 1 weight 0.10000E+01 volume 0.58545E-03 ppm1 9.441 ppm2 0.052 CV 1 OR { 563} (( segid " " and resid 172 and name HN )) ( segid " " and resid 168 and name HG1%) ASSI { 564} (( segid " " and resid 150 and name HN )) (( segid " " and resid 148 and name HN )) 4.700 2.700 1.300 peak 564 spectrum 1 weight 0.10000E+01 volume 0.24666E-03 ppm1 9.070 ppm2 8.035 CV 1 OR { 564} (( segid " " and resid 50 and name HN )) (( segid " " and resid 48 and name HN )) ASSI { 566} (( segid " " and resid 50 and name HN )) ( segid " " and resid 49 and name HD% ) 4.000 2.000 2.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.14432E-02 ppm1 9.069 ppm2 6.958 CV 1 OR { 566} (( segid " " and resid 150 and name HN )) ( segid " " and resid 149 and name HD% ) ASSI { 567} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HA )) 3.500 1.500 1.500 peak 567 spectrum 1 weight 0.10000E+01 volume 0.70193E-03 ppm1 9.068 ppm2 4.878 CV 1 OR { 567} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HA )) ASSI { 568} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HA )) 5.100 3.300 0.900 peak 568 spectrum 1 weight 0.10000E+01 volume 0.41060E-03 ppm1 9.070 ppm2 4.199 CV 1 OR { 568} (( segid " " and resid 150 and name HN )) (( segid " " and resid 151 and name HA )) ASSI { 569} (( segid " " and resid 150 and name HN )) (( segid " " and resid 146 and name HA )) 4.400 2.400 1.600 peak 569 spectrum 1 weight 0.10000E+01 volume 0.46295E-03 ppm1 9.068 ppm2 3.863 CV 1 OR { 569} (( segid " " and resid 50 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 570} (( segid " " and resid 150 and name HN )) (( segid " " and resid 147 and name HA )) 3.300 1.400 1.400 peak 570 spectrum 1 weight 0.10000E+01 volume 0.10262E-02 ppm1 9.069 ppm2 3.655 CV 1 OR { 570} (( segid " " and resid 50 and name HN )) (( segid " " and resid 47 and name HA )) ASSI { 572} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HB1 )) 2.800 1.000 1.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.18928E-02 ppm1 9.069 ppm2 3.243 CV 1 OR { 572} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB1 )) ASSI { 573} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HB2 )) 2.900 1.100 1.100 peak 573 spectrum 1 weight 0.10000E+01 volume 0.27186E-02 ppm1 9.069 ppm2 3.098 CV 1 OR { 573} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB2 )) ASSI { 575} (( segid " " and resid 150 and name HN )) (( segid " " and resid 150 and name HD1 )) 3.200 1.300 1.300 peak 575 spectrum 1 weight 0.10000E+01 volume 0.30992E-02 ppm1 9.069 ppm2 1.551 CV 1 OR { 575} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HD1 )) OR { 575} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HD2 )) OR { 575} (( segid " " and resid 150 and name HN )) ( segid " " and resid 151 and name HB% ) OR { 575} (( segid " " and resid 50 and name HN )) ( segid " " and resid 51 and name HB% ) ASSI { 578} (( segid " " and resid 150 and name HN )) ( segid " " and resid 160 and name HD1%) 3.600 1.600 1.600 peak 578 spectrum 1 weight 0.10000E+01 volume 0.17241E-02 ppm1 9.069 ppm2 0.512 CV 1 OR { 578} (( segid " " and resid 50 and name HN )) ( segid " " and resid 60 and name HD1%) ASSI { 579} (( segid " " and resid 150 and name HN )) (( segid " " and resid 152 and name HN )) 3.800 1.800 1.800 peak 579 spectrum 1 weight 0.10000E+01 volume 0.76923E-03 ppm1 9.066 ppm2 8.268 CV 1 OR { 579} (( segid " " and resid 50 and name HN )) (( segid " " and resid 52 and name HN )) ASSI { 582} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HN )) 2.600 0.800 0.800 peak 582 spectrum 1 weight 0.10000E+01 volume 0.26071E-02 ppm1 8.673 ppm2 8.582 CV 1 OR { 582} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HN )) ASSI { 584} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HN )) 5.200 3.400 0.800 peak 584 spectrum 1 weight 0.10000E+01 volume 0.99487E-04 ppm1 8.673 ppm2 7.794 CV 1 OR { 584} (( segid " " and resid 168 and name HN )) (( segid " " and resid 166 and name HN )) OR { 584} (( segid " " and resid 68 and name HN )) (( segid " " and resid 70 and name HD21)) ASSI { 586} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 3.000 1.200 1.200 peak 586 spectrum 1 weight 0.10000E+01 volume 0.23179E-02 ppm1 8.672 ppm2 4.165 CV 1 OR { 586} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HA )) OR { 586} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HA )) OR { 586} (( segid " " and resid 168 and name HN )) (( segid " " and resid 166 and name HA )) OR { 586} (( segid " " and resid 68 and name HN )) (( segid " " and resid 167 and name HA )) ASSI { 588} (( segid " " and resid 168 and name HN )) (( segid " " and resid 164 and name HA )) 3.800 1.800 1.800 peak 588 spectrum 1 weight 0.10000E+01 volume 0.11411E-02 ppm1 8.673 ppm2 3.388 CV 1 OR { 588} (( segid " " and resid 68 and name HN )) (( segid " " and resid 64 and name HA )) OR { 588} (( segid " " and resid 68 and name HN )) (( segid " " and resid 164 and name HA )) ASSI { 589} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 2.700 0.900 0.900 peak 589 spectrum 1 weight 0.10000E+01 volume 0.27291E-02 ppm1 8.673 ppm2 3.285 CV 1 OR { 589} (( segid " " and resid 168 and name HN )) (( segid " " and resid 168 and name HA )) OR { 589} (( segid " " and resid 168 and name HN )) (( segid " " and resid 171 and name HB1 )) OR { 589} (( segid " " and resid 68 and name HN )) (( segid " " and resid 71 and name HB1 )) OR { 589} (( segid " " and resid 68 and name HN )) (( segid " " and resid 171 and name HB2 )) OR { 589} (( segid " " and resid 68 and name HN )) (( segid " " and resid 168 and name HA )) OR { 589} (( segid " " and resid 68 and name HN )) (( segid " " and resid 71 and name HB2 )) ASSI { 590} (( segid " " and resid 168 and name HN )) (( segid " " and resid 169 and name HB2 )) 4.200 2.200 1.800 peak 590 spectrum 1 weight 0.10000E+01 volume 0.73023E-03 ppm1 8.672 ppm2 2.981 CV 1 OR { 590} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HB2 )) ASSI { 591} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HB1 )) 6.000 5.500 0.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.77615E-04 ppm1 8.673 ppm2 2.665 CV 1 OR { 591} (( segid " " and resid 168 and name HN )) (( segid " " and resid 169 and name HB1 )) ASSI { 592} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HG )) 2.700 0.900 0.900 peak 592 spectrum 1 weight 0.10000E+01 volume 0.24413E-02 ppm1 8.673 ppm2 2.018 CV 1 OR { 592} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HG )) ASSI { 593} (( segid " " and resid 168 and name HN )) (( segid " " and resid 168 and name HB )) 2.100 0.500 0.500 peak 593 spectrum 1 weight 0.10000E+01 volume 0.95911E-02 ppm1 8.673 ppm2 1.919 CV 1 OR { 593} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB )) OR { 593} (( segid " " and resid 168 and name HN )) (( segid " " and resid 167 and name HB2 )) OR { 593} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB2 )) OR { 593} (( segid " " and resid 68 and name HN )) (( segid " " and resid 167 and name HB2 )) OR { 593} (( segid " " and resid 168 and name HN )) (( segid " " and resid 67 and name HB2 )) OR { 593} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB1 )) ASSI { 595} (( segid " " and resid 68 and name HN )) ( segid " " and resid 167 and name HD1%) 3.000 1.100 1.100 peak 595 spectrum 1 weight 0.10000E+01 volume 0.18958E-02 ppm1 8.673 ppm2 1.079 CV 1 OR { 595} (( segid " " and resid 168 and name HN )) ( segid " " and resid 167 and name HD1%) OR { 595} (( segid " " and resid 68 and name HN )) ( segid " " and resid 67 and name HD2%) ASSI { 596} (( segid " " and resid 68 and name HN )) ( segid " " and resid 64 and name HG1%) 3.600 1.700 1.700 peak 596 spectrum 1 weight 0.10000E+01 volume 0.78279E-03 ppm1 8.673 ppm2 0.948 CV 1 OR { 596} (( segid " " and resid 68 and name HN )) ( segid " " and resid 164 and name HG2%) ASSI { 599} (( segid " " and resid 68 and name HN )) ( segid " " and resid 141 and name HE% ) 6.000 4.900 0.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.53964E-04 ppm1 8.670 ppm2 6.954 CV 1 OR { 599} (( segid " " and resid 168 and name HN )) ( segid " " and resid 41 and name HE% ) OR { 599} (( segid " " and resid 68 and name HN )) ( segid " " and resid 41 and name HE% ) ASSI { 606} (( segid " " and resid 120 and name HN )) (( segid " " and resid 118 and name HA )) 2.700 2.700 3.300 peak 606 spectrum 1 weight 0.10000E+01 volume 0.67850E-03 ppm1 8.382 ppm2 4.698 CV 1 OR { 606} (( segid " " and resid 20 and name HN )) (( segid " " and resid 18 and name HA )) ASSI { 608} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HA )) 2.200 0.600 0.600 peak 608 spectrum 1 weight 0.10000E+01 volume 0.94910E-02 ppm1 8.382 ppm2 4.297 CV 1 OR { 608} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) ASSI { 609} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB2 )) 2.900 1.000 1.000 peak 609 spectrum 1 weight 0.10000E+01 volume 0.35396E-02 ppm1 8.382 ppm2 2.741 CV 1 OR { 609} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB1 )) ASSI { 610} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) 2.600 0.900 0.900 peak 610 spectrum 1 weight 0.10000E+01 volume 0.62092E-02 ppm1 8.382 ppm2 2.616 CV 1 OR { 610} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB1 )) ASSI { 611} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB1 )) 3.700 1.800 1.800 peak 611 spectrum 1 weight 0.10000E+01 volume 0.18609E-02 ppm1 8.381 ppm2 1.876 CV 1 OR { 611} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB2 )) ASSI { 612} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB1 )) 3.800 1.800 1.800 peak 612 spectrum 1 weight 0.10000E+01 volume 0.16172E-02 ppm1 8.381 ppm2 1.746 CV 1 OR { 612} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB2 )) ASSI { 613} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HG1 )) 4.000 2.000 2.000 peak 613 spectrum 1 weight 0.10000E+01 volume 0.12865E-02 ppm1 8.382 ppm2 1.613 CV 1 OR { 613} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HG1 )) OR { 613} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HG2 )) OR { 613} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HG2 )) OR { 613} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HB2 )) ASSI { 615} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HN )) 2.400 0.700 0.700 peak 615 spectrum 1 weight 0.10000E+01 volume 0.50541E-02 ppm1 7.811 ppm2 9.069 CV 1 OR { 615} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HN )) ASSI { 616} (( segid " " and resid 51 and name HN )) (( segid " " and resid 53 and name HN )) 3.800 1.800 1.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.63645E-03 ppm1 7.811 ppm2 8.447 CV 1 OR { 616} (( segid " " and resid 151 and name HN )) (( segid " " and resid 153 and name HN )) ASSI { 619} (( segid " " and resid 151 and name HN )) (( segid " " and resid 149 and name HA )) 6.000 5.400 0.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.24581E-04 ppm1 7.810 ppm2 4.879 CV 1 OR { 619} (( segid " " and resid 51 and name HN )) (( segid " " and resid 49 and name HA )) ASSI { 620} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 2.400 0.700 0.700 peak 620 spectrum 1 weight 0.10000E+01 volume 0.89190E-02 ppm1 7.812 ppm2 4.218 CV 1 OR { 620} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HA )) ASSI { 621} (( segid " " and resid 51 and name HN )) (( segid " " and resid 47 and name HA )) 3.800 1.800 1.800 peak 621 spectrum 1 weight 0.10000E+01 volume 0.61857E-03 ppm1 7.812 ppm2 3.654 CV 1 OR { 621} (( segid " " and resid 151 and name HN )) (( segid " " and resid 147 and name HA )) ASSI { 623} (( segid " " and resid 51 and name HN )) ( segid " " and resid 52 and name HB% ) 3.800 1.800 1.800 peak 623 spectrum 1 weight 0.10000E+01 volume 0.19936E-02 ppm1 7.811 ppm2 1.814 CV 1 OR { 623} (( segid " " and resid 151 and name HN )) ( segid " " and resid 152 and name HB% ) ASSI { 627} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HG1 )) 3.200 1.300 1.300 peak 627 spectrum 1 weight 0.10000E+01 volume 0.36964E-02 ppm1 7.812 ppm2 1.271 CV 1 OR { 627} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HG1 )) OR { 627} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HG2 )) OR { 627} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HG2 )) ASSI { 641} (( segid " " and resid 120 and name HN )) (( segid " " and resid 122 and name HN )) 4.900 3.000 1.100 peak 641 spectrum 1 weight 0.10000E+01 volume 0.32457E-03 ppm1 8.361 ppm2 8.256 CV 1 OR { 641} (( segid " " and resid 20 and name HN )) (( segid " " and resid 22 and name HN )) ASSI { 646} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA )) 2.600 0.800 0.800 peak 646 spectrum 1 weight 0.10000E+01 volume 0.44263E-02 ppm1 8.328 ppm2 4.129 CV 1 OR { 646} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA )) ASSI { 647} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HD2 )) 3.400 3.400 2.600 peak 647 spectrum 1 weight 0.10000E+01 volume 0.18054E-03 ppm1 8.329 ppm2 3.653 CV 1 OR { 647} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HD1 )) ASSI { 648} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB2 )) 3.300 1.300 1.300 peak 648 spectrum 1 weight 0.10000E+01 volume 0.34086E-02 ppm1 8.328 ppm2 2.295 CV 1 OR { 648} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB1 )) ASSI { 649} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB )) 2.400 0.700 0.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.84927E-02 ppm1 8.328 ppm2 2.090 CV 1 OR { 649} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB )) ASSI { 650} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB2 )) 3.000 1.100 1.100 peak 650 spectrum 1 weight 0.10000E+01 volume 0.62450E-02 ppm1 8.328 ppm2 1.907 CV 1 OR { 650} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB1 )) ASSI { 651} (( segid " " and resid 129 and name HN )) ( segid " " and resid 127 and name HB% ) 4.200 2.200 1.800 peak 651 spectrum 1 weight 0.10000E+01 volume 0.51134E-04 ppm1 8.330 ppm2 1.365 CV 1 OR { 651} (( segid " " and resid 29 and name HN )) ( segid " " and resid 27 and name HB% ) ASSI { 652} (( segid " " and resid 29 and name HN )) ( segid " " and resid 29 and name HG2%) 2.500 0.800 0.800 peak 652 spectrum 1 weight 0.10000E+01 volume 0.10281E-01 ppm1 8.328 ppm2 0.977 CV 1 OR { 652} (( segid " " and resid 129 and name HN )) ( segid " " and resid 129 and name HG2%) OR { 652} (( segid " " and resid 129 and name HN )) ( segid " " and resid 129 and name HG1%) OR { 652} (( segid " " and resid 29 and name HN )) ( segid " " and resid 29 and name HG1%) ASSI { 653} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HN )) 3.200 1.200 1.200 peak 653 spectrum 1 weight 0.10000E+01 volume 0.15075E-02 ppm1 8.309 ppm2 8.585 CV 1 OR { 653} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HN )) ASSI { 654} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HN )) 4.600 2.600 1.400 peak 654 spectrum 1 weight 0.10000E+01 volume 0.25644E-03 ppm1 8.309 ppm2 8.424 CV 1 OR { 654} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HN )) OR { 654} (( segid " " and resid 117 and name HN )) (( segid " " and resid 119 and name HN )) ASSI { 657} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HA )) 4.900 3.000 1.100 peak 657 spectrum 1 weight 0.10000E+01 volume 0.28494E-03 ppm1 8.309 ppm2 4.660 CV 1 OR { 657} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HA )) ASSI { 658} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HA )) 2.700 0.900 0.900 peak 658 spectrum 1 weight 0.10000E+01 volume 0.35713E-02 ppm1 8.309 ppm2 4.263 CV 1 OR { 658} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) ASSI { 659} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HA1 )) 2.600 0.800 0.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.55453E-02 ppm1 8.309 ppm2 3.963 CV 1 OR { 659} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA2 )) ASSI { 660} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA1 )) 2.600 0.800 0.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.54804E-02 ppm1 8.309 ppm2 3.866 CV 1 OR { 660} (( segid " " and resid 117 and name HN )) (( segid " " and resid 116 and name HA2 )) ASSI { 661} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HG1 )) 3.400 1.500 1.500 peak 661 spectrum 1 weight 0.10000E+01 volume 0.23937E-02 ppm1 8.309 ppm2 2.253 CV 1 OR { 661} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HG1 )) OR { 661} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HG2 )) OR { 661} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HG2 )) ASSI { 663} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB2 )) 2.700 0.900 0.900 peak 663 spectrum 1 weight 0.10000E+01 volume 0.54787E-02 ppm1 8.309 ppm2 1.945 CV 1 OR { 663} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB2 )) OR { 663} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB1 )) OR { 663} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB1 )) OR { 663} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB1 )) ASSI { 666} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HN )) 3.100 1.200 1.200 peak 666 spectrum 1 weight 0.10000E+01 volume 0.40490E-02 ppm1 8.261 ppm2 8.097 CV 1 OR { 666} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HN )) ASSI { 668} (( segid " " and resid 122 and name HN )) (( segid " " and resid 120 and name HA )) 3.000 3.000 3.000 peak 668 spectrum 1 weight 0.10000E+01 volume 0.36168E-03 ppm1 8.261 ppm2 4.572 CV 1 OR { 668} (( segid " " and resid 22 and name HN )) (( segid " " and resid 20 and name HA )) ASSI { 669} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA )) 2.000 0.500 0.500 peak 669 spectrum 1 weight 0.10000E+01 volume 0.17234E-01 ppm1 8.261 ppm2 4.274 CV 1 OR { 669} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HA )) OR { 669} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) ASSI { 670} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HG1 )) 3.700 1.700 1.700 peak 670 spectrum 1 weight 0.10000E+01 volume 0.32507E-02 ppm1 8.261 ppm2 2.279 CV 1 OR { 670} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HG1 )) OR { 670} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HG2 )) OR { 670} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HG2 )) ASSI { 672} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) 2.200 0.600 0.600 peak 672 spectrum 1 weight 0.10000E+01 volume 0.82798E-02 ppm1 8.261 ppm2 1.968 CV 1 OR { 672} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HB2 )) ASSI { 673} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB1 )) 3.100 1.200 1.200 peak 673 spectrum 1 weight 0.10000E+01 volume 0.46506E-02 ppm1 8.261 ppm2 1.625 CV 1 OR { 673} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB1 )) OR { 673} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB2 )) OR { 673} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB2 )) ASSI { 674} (( segid " " and resid 122 and name HN )) ( segid " " and resid 121 and name HD2%) 3.000 3.000 3.000 peak 674 spectrum 1 weight 0.10000E+01 volume 0.98239E-03 ppm1 8.261 ppm2 0.935 CV 1 OR { 674} (( segid " " and resid 22 and name HN )) ( segid " " and resid 21 and name HD2%) OR { 674} (( segid " " and resid 22 and name HN )) ( segid " " and resid 24 and name HG2%) OR { 674} (( segid " " and resid 122 and name HN )) ( segid " " and resid 124 and name HG2%) OR { 674} (( segid " " and resid 22 and name HN )) ( segid " " and resid 24 and name HG1%) OR { 674} (( segid " " and resid 122 and name HN )) ( segid " " and resid 124 and name HG1%) ASSI { 692} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 2.600 0.900 0.900 peak 692 spectrum 1 weight 0.10000E+01 volume 0.49137E-02 ppm1 8.583 ppm2 4.707 CV 1 OR { 692} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HA )) ASSI { 694} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB2 )) 3.000 1.100 1.100 peak 694 spectrum 1 weight 0.10000E+01 volume 0.24130E-02 ppm1 8.583 ppm2 2.864 CV 1 OR { 694} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB1 )) ASSI { 698} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HN )) 3.900 1.900 1.900 peak 698 spectrum 1 weight 0.10000E+01 volume 0.38159E-03 ppm1 7.795 ppm2 8.933 CV 1 OR { 698} (( segid " " and resid 166 and name HN )) (( segid " " and resid 164 and name HN )) ASSI { 699} (( segid " " and resid 66 and name HN )) (( segid " " and resid 68 and name HN )) 3.500 1.500 1.500 peak 699 spectrum 1 weight 0.10000E+01 volume 0.10527E-02 ppm1 7.793 ppm2 8.674 CV 1 OR { 699} (( segid " " and resid 166 and name HN )) (( segid " " and resid 168 and name HN )) ASSI { 700} (( segid " " and resid 166 and name HN )) (( segid " " and resid 167 and name HN )) 2.200 0.600 0.600 peak 700 spectrum 1 weight 0.10000E+01 volume 0.52943E-02 ppm1 7.793 ppm2 8.583 CV 1 OR { 700} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HN )) ASSI { 701} (( segid " " and resid 66 and name HN )) (( segid " " and resid 69 and name HN )) 5.500 3.700 0.500 peak 701 spectrum 1 weight 0.10000E+01 volume 0.73217E-04 ppm1 7.793 ppm2 8.204 CV 1 OR { 701} (( segid " " and resid 166 and name HN )) (( segid " " and resid 169 and name HN )) OR { 701} (( segid " " and resid 166 and name HN )) (( segid " " and resid 163 and name HN )) OR { 701} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HN )) ASSI { 702} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HN )) 2.400 0.700 0.700 peak 702 spectrum 1 weight 0.10000E+01 volume 0.34847E-02 ppm1 7.793 ppm2 7.919 CV 1 OR { 702} (( segid " " and resid 166 and name HN )) (( segid " " and resid 165 and name HN )) ASSI { 704} (( segid " " and resid 166 and name HN )) (( segid " " and resid 166 and name HE21)) 4.400 2.500 1.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.73155E-03 ppm1 7.794 ppm2 7.430 CV 1 OR { 704} (( segid " " and resid 166 and name HN )) (( segid " " and resid 71 and name HD1 )) OR { 704} (( segid " " and resid 66 and name HN )) (( segid " " and resid 171 and name HD1 )) OR { 704} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HE22)) ASSI { 705} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HE21)) 5.100 3.200 0.900 peak 705 spectrum 1 weight 0.10000E+01 volume 0.39830E-03 ppm1 7.794 ppm2 6.955 CV 1 OR { 705} (( segid " " and resid 166 and name HN )) (( segid " " and resid 166 and name HE22)) OR { 705} (( segid " " and resid 66 and name HN )) ( segid " " and resid 141 and name HE% ) ASSI { 706} (( segid " " and resid 66 and name HN )) (( segid " " and resid 62 and name HA )) 3.700 1.700 1.700 peak 706 spectrum 1 weight 0.10000E+01 volume 0.81926E-03 ppm1 7.792 ppm2 4.425 CV 1 OR { 706} (( segid " " and resid 166 and name HN )) (( segid " " and resid 162 and name HA )) ASSI { 707} (( segid " " and resid 166 and name HN )) (( segid " " and resid 166 and name HA )) 2.400 0.700 0.700 peak 707 spectrum 1 weight 0.10000E+01 volume 0.79950E-02 ppm1 7.793 ppm2 4.156 CV 1 OR { 707} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA )) ASSI { 708} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HA )) 3.100 1.200 1.200 peak 708 spectrum 1 weight 0.10000E+01 volume 0.17693E-02 ppm1 7.793 ppm2 3.915 CV 1 OR { 708} (( segid " " and resid 166 and name HN )) (( segid " " and resid 165 and name HA )) ASSI { 709} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HA )) 3.000 1.100 1.100 peak 709 spectrum 1 weight 0.10000E+01 volume 0.23845E-02 ppm1 7.793 ppm2 3.517 CV 1 OR { 709} (( segid " " and resid 166 and name HN )) (( segid " " and resid 163 and name HA )) ASSI { 710} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HA )) 4.100 2.100 1.900 peak 710 spectrum 1 weight 0.10000E+01 volume 0.43215E-03 ppm1 7.793 ppm2 3.393 CV 1 OR { 710} (( segid " " and resid 166 and name HN )) (( segid " " and resid 164 and name HA )) ASSI { 711} (( segid " " and resid 166 and name HN )) (( segid " " and resid 165 and name HB1 )) 2.800 1.000 1.000 peak 711 spectrum 1 weight 0.10000E+01 volume 0.33992E-02 ppm1 7.794 ppm2 2.997 CV 1 OR { 711} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB1 )) ASSI { 712} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB2 )) 2.600 0.900 0.900 peak 712 spectrum 1 weight 0.10000E+01 volume 0.46119E-02 ppm1 7.793 ppm2 2.664 CV 1 OR { 712} (( segid " " and resid 166 and name HN )) (( segid " " and resid 165 and name HB2 )) ASSI { 716} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HG )) 3.400 1.400 1.400 peak 716 spectrum 1 weight 0.10000E+01 volume 0.13891E-02 ppm1 7.793 ppm2 2.018 CV 1 OR { 716} (( segid " " and resid 166 and name HN )) (( segid " " and resid 167 and name HG )) ASSI { 717} (( segid " " and resid 166 and name HN )) (( segid " " and resid 168 and name HB )) 4.300 2.300 1.700 peak 717 spectrum 1 weight 0.10000E+01 volume 0.85088E-03 ppm1 7.793 ppm2 1.916 CV 1 OR { 717} (( segid " " and resid 66 and name HN )) (( segid " " and resid 68 and name HB )) OR { 717} (( segid " " and resid 166 and name HN )) (( segid " " and resid 167 and name HB2 )) OR { 717} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HB2 )) OR { 717} (( segid " " and resid 166 and name HN )) (( segid " " and resid 167 and name HB1 )) OR { 717} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HB1 )) OR { 717} (( segid " " and resid 66 and name HN )) (( segid " " and resid 167 and name HB2 )) ASSI { 719} (( segid " " and resid 66 and name HN )) ( segid " " and resid 67 and name HD2%) 4.300 2.400 1.700 peak 719 spectrum 1 weight 0.10000E+01 volume 0.76086E-03 ppm1 7.794 ppm2 1.080 CV 1 OR { 719} (( segid " " and resid 166 and name HN )) ( segid " " and resid 167 and name HD1%) ASSI { 720} (( segid " " and resid 166 and name HN )) ( segid " " and resid 163 and name HG1%) 6.000 4.700 0.000 peak 720 spectrum 1 weight 0.10000E+01 volume 0.10543E-03 ppm1 7.793 ppm2 0.835 CV 1 OR { 720} (( segid " " and resid 66 and name HN )) ( segid " " and resid 63 and name HG2%) ASSI { 721} (( segid " " and resid 166 and name HN )) ( segid " " and resid 167 and name HD2%) 4.000 2.000 2.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.13085E-02 ppm1 7.793 ppm2 0.574 CV 1 OR { 721} (( segid " " and resid 66 and name HN )) ( segid " " and resid 67 and name HD1%) OR { 721} (( segid " " and resid 166 and name HN )) ( segid " " and resid 168 and name HG2%) OR { 721} (( segid " " and resid 66 and name HN )) ( segid " " and resid 68 and name HG2%) ASSI { 724} (( segid " " and resid 130 and name HN )) (( segid " " and resid 131 and name HN )) 3.800 1.800 1.800 peak 724 spectrum 1 weight 0.10000E+01 volume 0.92059E-03 ppm1 8.467 ppm2 8.636 CV 1 OR { 724} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) ASSI { 726} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HN )) 3.800 1.800 1.800 peak 726 spectrum 1 weight 0.10000E+01 volume 0.17350E-02 ppm1 8.467 ppm2 8.325 CV 1 OR { 726} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HN )) ASSI { 729} (( segid " " and resid 130 and name HN )) (( segid " " and resid 131 and name HA )) 4.000 2.000 2.000 peak 729 spectrum 1 weight 0.10000E+01 volume 0.49105E-03 ppm1 8.467 ppm2 4.471 CV 1 OR { 729} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HA )) ASSI { 730} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HA )) 1.900 0.400 0.400 peak 730 spectrum 1 weight 0.10000E+01 volume 0.24809E-01 ppm1 8.467 ppm2 4.134 CV 1 OR { 730} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) ASSI { 731} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB2 )) 2.400 0.700 0.700 peak 731 spectrum 1 weight 0.10000E+01 volume 0.90685E-02 ppm1 8.467 ppm2 3.915 CV 1 OR { 731} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB2 )) OR { 731} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB1 )) OR { 731} (( segid " " and resid 130 and name HN )) (( segid " " and resid 130 and name HB1 )) ASSI { 733} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB )) 3.400 1.400 1.400 peak 733 spectrum 1 weight 0.10000E+01 volume 0.34048E-02 ppm1 8.467 ppm2 2.092 CV 1 OR { 733} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB )) ASSI { 734} (( segid " " and resid 102 and name HN )) (( segid " " and resid 104 and name HB2 )) 3.800 1.800 1.800 peak 734 spectrum 1 weight 0.10000E+01 volume 0.50972E-03 ppm1 8.467 ppm2 1.906 CV 1 OR { 734} (( segid " " and resid 2 and name HN )) (( segid " " and resid 4 and name HB2 )) OR { 734} (( segid " " and resid 102 and name HN )) (( segid " " and resid 104 and name HB1 )) OR { 734} (( segid " " and resid 2 and name HN )) (( segid " " and resid 4 and name HB1 )) ASSI { 735} (( segid " " and resid 130 and name HN )) ( segid " " and resid 129 and name HG1%) 3.100 1.200 1.200 peak 735 spectrum 1 weight 0.10000E+01 volume 0.44883E-02 ppm1 8.467 ppm2 0.974 CV 1 OR { 735} (( segid " " and resid 30 and name HN )) ( segid " " and resid 29 and name HG1%) OR { 735} (( segid " " and resid 130 and name HN )) ( segid " " and resid 129 and name HG2%) OR { 735} (( segid " " and resid 30 and name HN )) ( segid " " and resid 29 and name HG2%) ASSI { 736} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HN )) 2.100 0.600 0.600 peak 736 spectrum 1 weight 0.10000E+01 volume 0.97179E-02 ppm1 8.717 ppm2 8.830 CV 1 OR { 736} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HN )) ASSI { 739} (( segid " " and resid 144 and name HN )) (( segid " " and resid 142 and name HA )) 4.000 2.000 2.000 peak 739 spectrum 1 weight 0.10000E+01 volume 0.11739E-02 ppm1 8.717 ppm2 4.815 CV 1 OR { 739} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 740} (( segid " " and resid 144 and name HN )) (( segid " " and resid 147 and name HB )) 6.000 4.800 0.000 peak 740 spectrum 1 weight 0.10000E+01 volume 0.54287E-04 ppm1 8.718 ppm2 4.424 CV 1 OR { 740} (( segid " " and resid 44 and name HN )) (( segid " " and resid 47 and name HB )) ASSI { 741} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HA )) 2.400 0.700 0.700 peak 741 spectrum 1 weight 0.10000E+01 volume 0.58413E-02 ppm1 8.718 ppm2 4.189 CV 1 OR { 741} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HA )) ASSI { 742} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HA )) 2.900 1.000 1.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.25080E-02 ppm1 8.718 ppm2 3.894 CV 1 OR { 742} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 743} (( segid " " and resid 144 and name HN )) (( segid " " and resid 142 and name HB1 )) 3.200 1.300 1.300 peak 743 spectrum 1 weight 0.10000E+01 volume 0.58184E-03 ppm1 8.718 ppm2 2.842 CV 1 OR { 743} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HB1 )) ASSI { 744} (( segid " " and resid 44 and name HN )) (( segid " " and resid 42 and name HB2 )) 4.100 2.200 1.900 peak 744 spectrum 1 weight 0.10000E+01 volume 0.70962E-03 ppm1 8.718 ppm2 2.734 CV 1 OR { 744} (( segid " " and resid 144 and name HN )) (( segid " " and resid 142 and name HB2 )) ASSI { 745} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HG1 )) 3.200 1.300 1.300 peak 745 spectrum 1 weight 0.10000E+01 volume 0.42731E-02 ppm1 8.718 ppm2 2.429 CV 1 OR { 745} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HG1 )) OR { 745} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HG2 )) OR { 745} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HG2 )) ASSI { 751} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 2.300 0.600 0.600 peak 751 spectrum 1 weight 0.10000E+01 volume 0.59590E-02 ppm1 8.582 ppm2 4.164 CV 1 OR { 751} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HA )) OR { 751} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA )) OR { 751} (( segid " " and resid 167 and name HN )) (( segid " " and resid 166 and name HA )) ASSI { 752} (( segid " " and resid 67 and name HN )) (( segid " " and resid 64 and name HA )) 3.700 1.700 1.700 peak 752 spectrum 1 weight 0.10000E+01 volume 0.15037E-02 ppm1 8.582 ppm2 3.390 CV 1 OR { 752} (( segid " " and resid 167 and name HN )) (( segid " " and resid 164 and name HA )) ASSI { 753} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HG1 )) 3.700 1.700 1.700 peak 753 spectrum 1 weight 0.10000E+01 volume 0.26792E-02 ppm1 8.582 ppm2 1.592 CV 1 OR { 753} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HG1 )) OR { 753} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HG2 )) OR { 753} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HG2 )) OR { 753} (( segid " " and resid 67 and name HN )) (( segid " " and resid 172 and name HB2 )) ASSI { 755} (( segid " " and resid 167 and name HN )) (( segid " " and resid 163 and name HA )) 5.700 4.100 0.300 peak 755 spectrum 1 weight 0.10000E+01 volume 0.53107E-04 ppm1 8.581 ppm2 3.515 CV 1 OR { 755} (( segid " " and resid 67 and name HN )) (( segid " " and resid 63 and name HA )) ASSI { 757} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB1 )) 2.200 0.600 0.600 peak 757 spectrum 1 weight 0.10000E+01 volume 0.55667E-02 ppm1 8.582 ppm2 2.260 CV 1 OR { 757} (( segid " " and resid 167 and name HN )) (( segid " " and resid 166 and name HB1 )) OR { 757} (( segid " " and resid 167 and name HN )) (( segid " " and resid 166 and name HB2 )) OR { 757} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB2 )) ASSI { 759} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HB1 )) 2.700 0.900 0.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.53192E-02 ppm1 8.582 ppm2 1.913 CV 1 OR { 759} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB1 )) OR { 759} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB2 )) OR { 759} (( segid " " and resid 167 and name HN )) (( segid " " and resid 167 and name HB2 )) OR { 759} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) OR { 759} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB2 )) OR { 759} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HB1 )) OR { 759} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB1 )) OR { 759} (( segid " " and resid 67 and name HN )) (( segid " " and resid 167 and name HB2 )) OR { 759} (( segid " " and resid 167 and name HN )) (( segid " " and resid 67 and name HB2 )) ASSI { 764} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HN )) 3.700 1.700 1.700 peak 764 spectrum 1 weight 0.10000E+01 volume 0.16768E-02 ppm1 8.264 ppm2 8.376 CV 1 OR { 764} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HN )) OR { 764} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HN )) OR { 764} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HN )) ASSI { 767} (( segid " " and resid 126 and name HN )) (( segid " " and resid 126 and name HA )) 2.700 0.900 0.900 peak 767 spectrum 1 weight 0.10000E+01 volume 0.37715E-02 ppm1 8.265 ppm2 4.326 CV 1 OR { 767} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) ASSI { 768} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HA )) 1.800 0.400 0.400 peak 768 spectrum 1 weight 0.10000E+01 volume 0.29703E-01 ppm1 8.264 ppm2 4.187 CV 1 OR { 768} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) ASSI { 769} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB )) 3.200 1.300 1.300 peak 769 spectrum 1 weight 0.10000E+01 volume 0.30472E-02 ppm1 8.264 ppm2 2.074 CV 1 OR { 769} (( segid " " and resid 126 and name HN )) (( segid " " and resid 125 and name HB )) ASSI { 770} (( segid " " and resid 126 and name HN )) ( segid " " and resid 127 and name HB% ) 6.000 5.300 0.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.50127E-04 ppm1 8.266 ppm2 1.366 CV 1 OR { 770} (( segid " " and resid 26 and name HN )) ( segid " " and resid 27 and name HB% ) ASSI { 771} (( segid " " and resid 26 and name HN )) ( segid " " and resid 26 and name HG2%) 2.900 1.000 1.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.29958E-02 ppm1 8.264 ppm2 1.200 CV 1 OR { 771} (( segid " " and resid 126 and name HN )) ( segid " " and resid 126 and name HG2%) ASSI { 772} (( segid " " and resid 126 and name HN )) ( segid " " and resid 125 and name HG1%) 3.000 1.100 1.100 peak 772 spectrum 1 weight 0.10000E+01 volume 0.59860E-02 ppm1 8.264 ppm2 0.932 CV 1 OR { 772} (( segid " " and resid 26 and name HN )) ( segid " " and resid 25 and name HG1%) OR { 772} (( segid " " and resid 26 and name HN )) ( segid " " and resid 25 and name HG2%) ASSI { 775} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HN )) 4.500 2.500 1.500 peak 775 spectrum 1 weight 0.10000E+01 volume 0.74682E-03 ppm1 8.634 ppm2 8.542 CV 1 OR { 775} (( segid " " and resid 131 and name HN )) (( segid " " and resid 132 and name HN )) ASSI { 777} (( segid " " and resid 31 and name HN )) (( segid " " and resid 33 and name HN )) 6.000 4.500 0.000 peak 777 spectrum 1 weight 0.10000E+01 volume 0.52261E-04 ppm1 8.635 ppm2 8.344 CV 1 OR { 777} (( segid " " and resid 131 and name HN )) (( segid " " and resid 133 and name HN )) ASSI { 780} (( segid " " and resid 131 and name HN )) (( segid " " and resid 129 and name HA )) 4.700 2.800 1.300 peak 780 spectrum 1 weight 0.10000E+01 volume 0.24509E-04 ppm1 8.633 ppm2 4.134 CV 1 OR { 780} (( segid " " and resid 31 and name HN )) (( segid " " and resid 29 and name HA )) ASSI { 781} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB2 )) 2.400 0.700 0.700 peak 781 spectrum 1 weight 0.10000E+01 volume 0.10864E-01 ppm1 8.633 ppm2 3.935 CV 1 OR { 781} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB2 )) OR { 781} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB1 )) OR { 781} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB1 )) OR { 781} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB1 )) OR { 781} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB1 )) ASSI { 782} (( segid " " and resid 131 and name HN )) ( segid " " and resid 129 and name HG1%) 3.000 3.000 3.000 peak 782 spectrum 1 weight 0.10000E+01 volume 0.35140E-03 ppm1 8.633 ppm2 0.973 CV 1 OR { 782} (( segid " " and resid 31 and name HN )) ( segid " " and resid 29 and name HG1%) OR { 782} (( segid " " and resid 131 and name HN )) ( segid " " and resid 129 and name HG2%) OR { 782} (( segid " " and resid 31 and name HN )) ( segid " " and resid 29 and name HG2%) ASSI { 784} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HN )) 4.500 2.600 1.500 peak 784 spectrum 1 weight 0.10000E+01 volume 0.36030E-03 ppm1 8.484 ppm2 8.242 CV 1 OR { 784} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HN )) OR { 784} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HN )) OR { 784} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HN )) ASSI { 786} (( segid " " and resid 109 and name HN )) (( segid " " and resid 109 and name HA )) 3.000 1.100 1.100 peak 786 spectrum 1 weight 0.10000E+01 volume 0.20690E-02 ppm1 8.483 ppm2 4.558 CV 1 OR { 786} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA )) ASSI { 787} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 2.600 0.800 0.800 peak 787 spectrum 1 weight 0.10000E+01 volume 0.48022E-02 ppm1 8.484 ppm2 4.390 CV 1 OR { 787} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HA )) ASSI { 788} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HB )) 4.300 2.300 1.700 peak 788 spectrum 1 weight 0.10000E+01 volume 0.58648E-03 ppm1 8.484 ppm2 4.210 CV 1 OR { 788} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB )) ASSI { 791} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HN )) 4.600 2.700 1.400 peak 791 spectrum 1 weight 0.10000E+01 volume 0.19783E-03 ppm1 8.008 ppm2 8.447 CV 1 OR { 791} (( segid " " and resid 155 and name HN )) (( segid " " and resid 153 and name HN )) ASSI { 793} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HN )) 2.400 0.700 0.700 peak 793 spectrum 1 weight 0.10000E+01 volume 0.56214E-02 ppm1 8.007 ppm2 7.901 CV 1 OR { 793} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HN )) OR { 793} (( segid " " and resid 55 and name HN )) (( segid " " and resid 57 and name HN )) ASSI { 795} (( segid " " and resid 155 and name HN )) (( segid " " and resid 156 and name HA )) 5.600 3.900 0.400 peak 795 spectrum 1 weight 0.10000E+01 volume 0.23427E-03 ppm1 8.007 ppm2 4.429 CV 1 OR { 795} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HA )) ASSI { 796} (( segid " " and resid 55 and name HN )) (( segid " " and resid 52 and name HA )) 2.900 1.100 1.100 peak 796 spectrum 1 weight 0.10000E+01 volume 0.33200E-02 ppm1 8.007 ppm2 4.299 CV 1 OR { 796} (( segid " " and resid 155 and name HN )) (( segid " " and resid 152 and name HA )) ASSI { 797} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) 2.600 0.900 0.900 peak 797 spectrum 1 weight 0.10000E+01 volume 0.55101E-02 ppm1 8.007 ppm2 4.234 CV 1 OR { 797} (( segid " " and resid 155 and name HN )) (( segid " " and resid 154 and name HA )) ASSI { 799} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HA )) 4.300 2.300 1.700 peak 799 spectrum 1 weight 0.10000E+01 volume 0.46477E-03 ppm1 8.007 ppm2 3.976 CV 1 OR { 799} (( segid " " and resid 155 and name HN )) (( segid " " and resid 153 and name HA )) OR { 799} (( segid " " and resid 55 and name HN )) (( segid " " and resid 57 and name HA1 )) OR { 799} (( segid " " and resid 155 and name HN )) (( segid " " and resid 157 and name HA1 )) ASSI { 800} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HD1 )) 4.900 3.000 1.100 peak 800 spectrum 1 weight 0.10000E+01 volume 0.40461E-03 ppm1 8.007 ppm2 3.389 CV 1 OR { 800} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HD1 )) ASSI { 801} (( segid " " and resid 155 and name HN )) (( segid " " and resid 155 and name HD2 )) 4.500 2.500 1.500 peak 801 spectrum 1 weight 0.10000E+01 volume 0.65319E-03 ppm1 8.007 ppm2 3.266 CV 1 OR { 801} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HD2 )) ASSI { 802} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HB2 )) 5.000 3.200 1.000 peak 802 spectrum 1 weight 0.10000E+01 volume 0.33382E-03 ppm1 8.007 ppm2 2.255 CV 1 OR { 802} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HB1 )) OR { 802} (( segid " " and resid 155 and name HN )) (( segid " " and resid 153 and name HB1 )) OR { 802} (( segid " " and resid 155 and name HN )) (( segid " " and resid 156 and name HB1 )) ASSI { 805} (( segid " " and resid 55 and name HN )) ( segid " " and resid 52 and name HB% ) 4.500 2.600 1.500 peak 805 spectrum 1 weight 0.10000E+01 volume 0.62620E-03 ppm1 8.007 ppm2 1.808 CV 1 OR { 805} (( segid " " and resid 155 and name HN )) ( segid " " and resid 152 and name HB% ) ASSI { 806} (( segid " " and resid 155 and name HN )) (( segid " " and resid 156 and name HG2 )) 3.100 1.200 1.200 peak 806 spectrum 1 weight 0.10000E+01 volume 0.47845E-02 ppm1 8.008 ppm2 1.668 CV 1 OR { 806} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HG2 )) OR { 806} (( segid " " and resid 155 and name HN )) (( segid " " and resid 156 and name HG1 )) OR { 806} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HG1 )) ASSI { 809} (( segid " " and resid 146 and name HN )) (( segid " " and resid 149 and name HN )) 4.900 3.000 1.100 peak 809 spectrum 1 weight 0.10000E+01 volume 0.21688E-03 ppm1 8.849 ppm2 9.072 CV 1 OR { 809} (( segid " " and resid 46 and name HN )) (( segid " " and resid 49 and name HN )) OR { 809} (( segid " " and resid 146 and name HN )) (( segid " " and resid 150 and name HN )) OR { 809} (( segid " " and resid 46 and name HN )) (( segid " " and resid 41 and name HN )) ASSI { 813} (( segid " " and resid 146 and name HN )) ( segid " " and resid 141 and name HD% ) 5.600 3.900 0.400 peak 813 spectrum 1 weight 0.10000E+01 volume 0.19670E-03 ppm1 8.850 ppm2 7.316 CV 1 OR { 813} (( segid " " and resid 46 and name HN )) ( segid " " and resid 41 and name HD% ) ASSI { 814} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HD2 )) 5.300 3.400 0.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.22125E-03 ppm1 8.849 ppm2 6.322 CV 1 OR { 814} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HD2 )) ASSI { 815} (( segid " " and resid 46 and name HN )) (( segid " " and resid 44 and name HA )) 5.200 3.400 0.800 peak 815 spectrum 1 weight 0.10000E+01 volume 0.10539E-03 ppm1 8.849 ppm2 4.186 CV 1 OR { 815} (( segid " " and resid 146 and name HN )) (( segid " " and resid 144 and name HA )) ASSI { 816} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA )) 3.500 1.500 1.500 peak 816 spectrum 1 weight 0.10000E+01 volume 0.65295E-03 ppm1 8.850 ppm2 3.966 CV 1 OR { 816} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA )) ASSI { 817} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 2.400 0.700 0.700 peak 817 spectrum 1 weight 0.10000E+01 volume 0.53539E-02 ppm1 8.850 ppm2 3.872 CV 1 OR { 817} (( segid " " and resid 146 and name HN )) (( segid " " and resid 146 and name HA )) OR { 817} (( segid " " and resid 46 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 819} (( segid " " and resid 146 and name HN )) (( segid " " and resid 141 and name HB1 )) 3.700 1.700 1.700 peak 819 spectrum 1 weight 0.10000E+01 volume 0.10574E-02 ppm1 8.850 ppm2 3.241 CV 1 OR { 819} (( segid " " and resid 46 and name HN )) (( segid " " and resid 41 and name HB2 )) OR { 819} (( segid " " and resid 46 and name HN )) (( segid " " and resid 49 and name HB1 )) OR { 819} (( segid " " and resid 146 and name HN )) (( segid " " and resid 149 and name HB1 )) ASSI { 821} (( segid " " and resid 46 and name HN )) (( segid " " and resid 41 and name HB1 )) 3.700 1.700 1.700 peak 821 spectrum 1 weight 0.10000E+01 volume 0.99763E-03 ppm1 8.850 ppm2 2.823 CV 1 OR { 821} (( segid " " and resid 146 and name HN )) (( segid " " and resid 141 and name HB2 )) OR { 821} (( segid " " and resid 146 and name HN )) (( segid " " and resid 142 and name HB1 )) OR { 821} (( segid " " and resid 46 and name HN )) (( segid " " and resid 42 and name HB1 )) OR { 821} (( segid " " and resid 46 and name HN )) (( segid " " and resid 135 and name HE2 )) ASSI { 823} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB2 )) 2.800 1.000 1.000 peak 823 spectrum 1 weight 0.10000E+01 volume 0.17849E-02 ppm1 8.849 ppm2 2.009 CV 1 OR { 823} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HB2 )) OR { 823} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HB1 )) OR { 823} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB1 )) ASSI { 824} (( segid " " and resid 46 and name HN )) (( segid " " and resid 135 and name HB2 )) 4.700 2.800 1.300 peak 824 spectrum 1 weight 0.10000E+01 volume 0.78355E-03 ppm1 8.850 ppm2 1.496 CV 1 OR { 824} (( segid " " and resid 146 and name HN )) (( segid " " and resid 35 and name HB2 )) OR { 824} (( segid " " and resid 46 and name HN )) (( segid " " and resid 135 and name HD2 )) OR { 824} (( segid " " and resid 46 and name HN )) (( segid " " and resid 135 and name HB1 )) OR { 824} (( segid " " and resid 146 and name HN )) (( segid " " and resid 35 and name HB1 )) ASSI { 825} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HG1 )) 4.800 2.900 1.200 peak 825 spectrum 1 weight 0.10000E+01 volume 0.43423E-03 ppm1 8.850 ppm2 1.444 CV 1 OR { 825} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HG1 )) OR { 825} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HG2 )) OR { 825} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HG2 )) OR { 825} (( segid " " and resid 46 and name HN )) (( segid " " and resid 135 and name HB2 )) OR { 825} (( segid " " and resid 146 and name HN )) (( segid " " and resid 35 and name HB2 )) OR { 825} (( segid " " and resid 46 and name HN )) (( segid " " and resid 135 and name HB1 )) OR { 825} (( segid " " and resid 146 and name HN )) (( segid " " and resid 35 and name HB1 )) ASSI { 829} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HB2 )) 5.600 4.000 0.400 peak 829 spectrum 1 weight 0.10000E+01 volume 0.50086E-04 ppm1 8.588 ppm2 3.197 CV 1 OR { 829} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB1 )) ASSI { 830} (( segid " " and resid 7 and name HN )) ( segid " " and resid 6 and name HB% ) 6.000 5.600 0.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.24627E-04 ppm1 8.586 ppm2 1.360 CV 1 OR { 830} (( segid " " and resid 107 and name HN )) ( segid " " and resid 106 and name HB% ) ASSI { 832} (( segid " " and resid 70 and name HN )) (( segid " " and resid 72 and name HN )) 3.800 1.800 1.800 peak 832 spectrum 1 weight 0.10000E+01 volume 0.70240E-03 ppm1 7.718 ppm2 9.442 CV 1 OR { 832} (( segid " " and resid 170 and name HN )) (( segid " " and resid 172 and name HN )) ASSI { 833} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HN )) 3.900 1.900 1.900 peak 833 spectrum 1 weight 0.10000E+01 volume 0.53894E-03 ppm1 7.718 ppm2 8.675 CV 1 OR { 833} (( segid " " and resid 170 and name HN )) (( segid " " and resid 168 and name HN )) ASSI { 837} (( segid " " and resid 170 and name HN )) (( segid " " and resid 170 and name HD22)) 4.900 3.000 1.100 peak 837 spectrum 1 weight 0.10000E+01 volume 0.64030E-03 ppm1 7.718 ppm2 7.096 CV 1 OR { 837} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HD22)) ASSI { 840} (( segid " " and resid 70 and name HN )) (( segid " " and resid 67 and name HA )) 2.700 0.900 0.900 peak 840 spectrum 1 weight 0.10000E+01 volume 0.44413E-02 ppm1 7.718 ppm2 4.167 CV 1 OR { 840} (( segid " " and resid 170 and name HN )) (( segid " " and resid 167 and name HA )) OR { 840} (( segid " " and resid 170 and name HN )) (( segid " " and resid 166 and name HA )) OR { 840} (( segid " " and resid 70 and name HN )) (( segid " " and resid 66 and name HA )) OR { 840} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HA )) OR { 840} (( segid " " and resid 170 and name HN )) (( segid " " and resid 171 and name HA )) ASSI { 841} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HA )) 3.200 1.200 1.200 peak 841 spectrum 1 weight 0.10000E+01 volume 0.27255E-02 ppm1 7.717 ppm2 3.322 CV 1 OR { 841} (( segid " " and resid 170 and name HN )) (( segid " " and resid 168 and name HA )) OR { 841} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HB1 )) OR { 841} (( segid " " and resid 170 and name HN )) (( segid " " and resid 171 and name HB1 )) OR { 841} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HB2 )) OR { 841} (( segid " " and resid 170 and name HN )) (( segid " " and resid 171 and name HB2 )) ASSI { 842} (( segid " " and resid 170 and name HN )) (( segid " " and resid 170 and name HB2 )) 2.200 0.600 0.600 peak 842 spectrum 1 weight 0.10000E+01 volume 0.10296E-01 ppm1 7.718 ppm2 3.083 CV 1 OR { 842} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB2 )) OR { 842} (( segid " " and resid 170 and name HN )) (( segid " " and resid 170 and name HB1 )) OR { 842} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB1 )) ASSI { 845} (( segid " " and resid 70 and name HN )) (( segid " " and resid 67 and name HG )) 3.600 1.700 1.700 peak 845 spectrum 1 weight 0.10000E+01 volume 0.15059E-02 ppm1 7.718 ppm2 2.000 CV 1 OR { 845} (( segid " " and resid 70 and name HN )) (( segid " " and resid 167 and name HG )) OR { 845} (( segid " " and resid 170 and name HN )) (( segid " " and resid 67 and name HG )) OR { 845} (( segid " " and resid 70 and name HN )) (( segid " " and resid 72 and name HG )) OR { 845} (( segid " " and resid 170 and name HN )) (( segid " " and resid 172 and name HG )) OR { 845} (( segid " " and resid 70 and name HN )) (( segid " " and resid 145 and name HB1 )) ASSI { 846} (( segid " " and resid 70 and name HN )) (( segid " " and resid 167 and name HB1 )) 4.100 2.100 1.900 peak 846 spectrum 1 weight 0.10000E+01 volume 0.57629E-03 ppm1 7.717 ppm2 1.924 CV 1 OR { 846} (( segid " " and resid 170 and name HN )) (( segid " " and resid 67 and name HB1 )) OR { 846} (( segid " " and resid 170 and name HN )) (( segid " " and resid 173 and name HB2 )) OR { 846} (( segid " " and resid 70 and name HN )) (( segid " " and resid 67 and name HB2 )) OR { 846} (( segid " " and resid 170 and name HN )) (( segid " " and resid 167 and name HB2 )) OR { 846} (( segid " " and resid 70 and name HN )) (( segid " " and resid 167 and name HB2 )) OR { 846} (( segid " " and resid 170 and name HN )) (( segid " " and resid 67 and name HB2 )) OR { 846} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HB )) OR { 846} (( segid " " and resid 170 and name HN )) (( segid " " and resid 168 and name HB )) OR { 846} (( segid " " and resid 70 and name HN )) (( segid " " and resid 67 and name HB1 )) OR { 846} (( segid " " and resid 170 and name HN )) (( segid " " and resid 167 and name HB1 )) ASSI { 847} (( segid " " and resid 170 and name HN )) ( segid " " and resid 67 and name HD2%) 4.200 2.200 1.800 peak 847 spectrum 1 weight 0.10000E+01 volume 0.96390E-03 ppm1 7.717 ppm2 1.074 CV 1 OR { 847} (( segid " " and resid 70 and name HN )) ( segid " " and resid 167 and name HD1%) OR { 847} (( segid " " and resid 70 and name HN )) ( segid " " and resid 67 and name HD2%) ASSI { 848} (( segid " " and resid 70 and name HN )) ( segid " " and resid 68 and name HG2%) 4.300 2.300 1.700 peak 848 spectrum 1 weight 0.10000E+01 volume 0.73975E-03 ppm1 7.718 ppm2 0.579 CV 1 OR { 848} (( segid " " and resid 170 and name HN )) ( segid " " and resid 168 and name HG2%) OR { 848} (( segid " " and resid 70 and name HN )) ( segid " " and resid 167 and name HD2%) OR { 848} (( segid " " and resid 170 and name HN )) ( segid " " and resid 67 and name HD1%) ASSI { 849} (( segid " " and resid 73 and name HN )) (( segid " " and resid 71 and name HN )) 3.600 1.600 1.600 peak 849 spectrum 1 weight 0.10000E+01 volume 0.61552E-03 ppm1 7.464 ppm2 8.518 CV 1 OR { 849} (( segid " " and resid 173 and name HN )) (( segid " " and resid 171 and name HN )) ASSI { 850} (( segid " " and resid 173 and name HN )) (( segid " " and resid 171 and name HE3 )) 6.000 4.600 0.000 peak 850 spectrum 1 weight 0.10000E+01 volume 0.95321E-04 ppm1 7.465 ppm2 7.259 CV 1 OR { 850} (( segid " " and resid 73 and name HN )) (( segid " " and resid 71 and name HE3 )) ASSI { 851} (( segid " " and resid 173 and name HN )) (( segid " " and resid 174 and name HA )) 4.900 3.000 1.100 peak 851 spectrum 1 weight 0.10000E+01 volume 0.51504E-03 ppm1 7.464 ppm2 4.248 CV 1 OR { 851} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 852} (( segid " " and resid 173 and name HN )) (( segid " " and resid 172 and name HA )) 3.000 1.100 1.100 peak 852 spectrum 1 weight 0.10000E+01 volume 0.17096E-02 ppm1 7.464 ppm2 3.873 CV 1 OR { 852} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HA )) ASSI { 853} (( segid " " and resid 73 and name HN )) (( segid " " and resid 71 and name HB1 )) 4.500 2.600 1.500 peak 853 spectrum 1 weight 0.10000E+01 volume 0.46034E-03 ppm1 7.464 ppm2 3.340 CV 1 OR { 853} (( segid " " and resid 173 and name HN )) (( segid " " and resid 171 and name HB1 )) OR { 853} (( segid " " and resid 173 and name HN )) (( segid " " and resid 171 and name HB2 )) ASSI { 854} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HG1 )) 4.900 3.000 1.100 peak 854 spectrum 1 weight 0.10000E+01 volume 0.54701E-03 ppm1 7.464 ppm2 2.309 CV 1 OR { 854} (( segid " " and resid 173 and name HN )) (( segid " " and resid 174 and name HG1 )) OR { 854} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HG2 )) OR { 854} (( segid " " and resid 173 and name HN )) (( segid " " and resid 174 and name HG2 )) OR { 854} (( segid " " and resid 73 and name HN )) (( segid " " and resid 76 and name HG1 )) ASSI { 855} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HD1 )) 3.300 1.400 1.400 peak 855 spectrum 1 weight 0.10000E+01 volume 0.54105E-02 ppm1 7.464 ppm2 1.752 CV 1 OR { 855} (( segid " " and resid 173 and name HN )) (( segid " " and resid 173 and name HD1 )) OR { 855} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HB2 )) OR { 855} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HD2 )) OR { 855} (( segid " " and resid 173 and name HN )) (( segid " " and resid 173 and name HD2 )) ASSI { 857} (( segid " " and resid 173 and name HN )) ( segid " " and resid 172 and name HD2%) 3.700 1.700 1.700 peak 857 spectrum 1 weight 0.10000E+01 volume 0.98832E-03 ppm1 7.464 ppm2 1.058 CV 1 OR { 857} (( segid " " and resid 73 and name HN )) ( segid " " and resid 72 and name HD2%) ASSI { 860} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HN )) 2.200 0.600 0.600 peak 860 spectrum 1 weight 0.10000E+01 volume 0.60600E-02 ppm1 7.464 ppm2 7.098 CV 1 OR { 860} (( segid " " and resid 173 and name HN )) (( segid " " and resid 174 and name HN )) ASSI { 865} (( segid " " and resid 73 and name HN )) (( segid " " and resid 69 and name HB2 )) 4.200 2.200 1.800 peak 865 spectrum 1 weight 0.10000E+01 volume 0.78405E-03 ppm1 7.463 ppm2 2.994 CV 1 OR { 865} (( segid " " and resid 173 and name HN )) (( segid " " and resid 169 and name HB2 )) ASSI { 866} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB2 )) 1.900 0.400 0.400 peak 866 spectrum 1 weight 0.10000E+01 volume 0.23667E-01 ppm1 7.464 ppm2 1.994 CV 1 OR { 866} (( segid " " and resid 173 and name HN )) (( segid " " and resid 173 and name HB2 )) OR { 866} (( segid " " and resid 173 and name HN )) (( segid " " and resid 173 and name HB1 )) OR { 866} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB1 )) ASSI { 872} (( segid " " and resid 164 and name HN )) ( segid " " and resid 141 and name HE% ) 4.900 3.100 1.100 peak 872 spectrum 1 weight 0.10000E+01 volume 0.47428E-03 ppm1 8.934 ppm2 6.955 CV 1 OR { 872} (( segid " " and resid 64 and name HN )) ( segid " " and resid 41 and name HE% ) OR { 872} (( segid " " and resid 64 and name HN )) ( segid " " and resid 49 and name HD% ) ASSI { 874} (( segid " " and resid 164 and name HN )) ( segid " " and resid 149 and name HE% ) 3.900 1.900 1.900 peak 874 spectrum 1 weight 0.10000E+01 volume 0.81177E-03 ppm1 8.934 ppm2 6.505 CV 1 OR { 874} (( segid " " and resid 64 and name HN )) ( segid " " and resid 49 and name HE% ) ASSI { 876} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 3.400 1.400 1.400 peak 876 spectrum 1 weight 0.10000E+01 volume 0.88089E-03 ppm1 8.934 ppm2 3.517 CV 1 OR { 876} (( segid " " and resid 164 and name HN )) (( segid " " and resid 163 and name HA )) ASSI { 879} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HB1 )) 6.000 6.000 0.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.72242E-04 ppm1 8.934 ppm2 3.000 CV 1 OR { 879} (( segid " " and resid 164 and name HN )) (( segid " " and resid 165 and name HB1 )) ASSI { 884} (( segid " " and resid 64 and name HN )) ( segid " " and resid 63 and name HG2%) 3.000 1.100 1.100 peak 884 spectrum 1 weight 0.10000E+01 volume 0.27432E-02 ppm1 8.934 ppm2 0.831 CV 1 OR { 884} (( segid " " and resid 164 and name HN )) ( segid " " and resid 163 and name HG1%) OR { 884} (( segid " " and resid 64 and name HN )) ( segid " " and resid 137 and name HG1%) ASSI { 885} (( segid " " and resid 64 and name HN )) ( segid " " and resid 60 and name HG2%) 3.600 3.600 2.400 peak 885 spectrum 1 weight 0.10000E+01 volume 0.23203E-02 ppm1 8.934 ppm2 0.613 CV 1 OR { 885} (( segid " " and resid 164 and name HN )) ( segid " " and resid 68 and name HG2%) OR { 885} (( segid " " and resid 64 and name HN )) ( segid " " and resid 168 and name HG2%) ASSI { 886} (( segid " " and resid 64 and name HN )) ( segid " " and resid 139 and name HG2%) 5.400 3.700 0.600 peak 886 spectrum 1 weight 0.10000E+01 volume 0.64702E-03 ppm1 8.934 ppm2 0.475 CV 1 OR { 886} (( segid " " and resid 164 and name HN )) ( segid " " and resid 39 and name HG2%) ASSI { 889} (( segid " " and resid 159 and name HN )) (( segid " " and resid 163 and name HN )) 4.100 2.100 1.900 peak 889 spectrum 1 weight 0.10000E+01 volume 0.86169E-03 ppm1 8.874 ppm2 8.247 CV 1 OR { 889} (( segid " " and resid 59 and name HN )) (( segid " " and resid 63 and name HN )) OR { 889} (( segid " " and resid 159 and name HN )) (( segid " " and resid 161 and name HN )) OR { 889} (( segid " " and resid 59 and name HN )) (( segid " " and resid 61 and name HN )) ASSI { 894} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HA )) 2.600 0.900 0.900 peak 894 spectrum 1 weight 0.10000E+01 volume 0.36426E-02 ppm1 8.874 ppm2 4.746 CV 1 OR { 894} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) ASSI { 895} (( segid " " and resid 159 and name HN )) (( segid " " and resid 162 and name HA )) 5.300 3.600 0.700 peak 895 spectrum 1 weight 0.10000E+01 volume 0.44052E-03 ppm1 8.874 ppm2 4.429 CV 1 OR { 895} (( segid " " and resid 59 and name HN )) (( segid " " and resid 62 and name HA )) ASSI { 896} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB2 )) 3.300 1.400 1.400 peak 896 spectrum 1 weight 0.10000E+01 volume 0.10526E-02 ppm1 8.874 ppm2 4.106 CV 1 OR { 896} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB2 )) OR { 896} (( segid " " and resid 159 and name HN )) (( segid " " and resid 159 and name HB1 )) OR { 896} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB1 )) ASSI { 901} (( segid " " and resid 159 and name HN )) (( segid " " and resid 153 and name HB1 )) 5.300 3.500 0.700 peak 901 spectrum 1 weight 0.10000E+01 volume 0.20410E-03 ppm1 8.873 ppm2 2.251 CV 1 OR { 901} (( segid " " and resid 59 and name HN )) (( segid " " and resid 53 and name HB1 )) OR { 901} (( segid " " and resid 59 and name HN )) (( segid " " and resid 56 and name HB2 )) OR { 901} (( segid " " and resid 59 and name HN )) (( segid " " and resid 66 and name HB2 )) OR { 901} (( segid " " and resid 159 and name HN )) (( segid " " and resid 166 and name HB2 )) ASSI { 904} (( segid " " and resid 159 and name HN )) (( segid " " and resid 160 and name HN )) 6.000 6.000 0.000 peak 904 spectrum 1 weight 0.10000E+01 volume 0.49017E-04 ppm1 8.872 ppm2 8.729 CV 1 OR { 904} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HN )) ASSI { 906} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HB2 )) 5.500 3.700 0.500 peak 906 spectrum 1 weight 0.10000E+01 volume 0.21718E-03 ppm1 8.719 ppm2 1.966 CV 1 OR { 906} (( segid " " and resid 147 and name HN )) (( segid " " and resid 148 and name HB1 )) ASSI { 907} (( segid " " and resid 147 and name HN )) (( segid " " and resid 149 and name HN )) 3.700 1.700 1.700 peak 907 spectrum 1 weight 0.10000E+01 volume 0.77886E-03 ppm1 8.717 ppm2 9.068 CV 1 OR { 907} (( segid " " and resid 47 and name HN )) (( segid " " and resid 49 and name HN )) OR { 907} (( segid " " and resid 147 and name HN )) (( segid " " and resid 150 and name HN )) ASSI { 911} (( segid " " and resid 147 and name HN )) (( segid " " and resid 145 and name HN )) 4.300 2.300 1.700 peak 911 spectrum 1 weight 0.10000E+01 volume 0.45984E-03 ppm1 8.717 ppm2 7.921 CV 1 OR { 911} (( segid " " and resid 47 and name HN )) (( segid " " and resid 45 and name HN )) ASSI { 914} (( segid " " and resid 47 and name HN )) (( segid " " and resid 44 and name HA )) 2.900 1.100 1.100 peak 914 spectrum 1 weight 0.10000E+01 volume 0.31382E-02 ppm1 8.717 ppm2 4.186 CV 1 OR { 914} (( segid " " and resid 147 and name HN )) (( segid " " and resid 144 and name HA )) OR { 914} (( segid " " and resid 147 and name HN )) (( segid " " and resid 148 and name HA )) ASSI { 915} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HA )) 2.900 1.000 1.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.26504E-02 ppm1 8.717 ppm2 3.875 CV 1 OR { 915} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HA )) OR { 915} (( segid " " and resid 47 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 918} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB2 )) 3.500 1.500 1.500 peak 918 spectrum 1 weight 0.10000E+01 volume 0.20565E-02 ppm1 8.717 ppm2 2.961 CV 1 OR { 918} (( segid " " and resid 147 and name HN )) (( segid " " and resid 146 and name HB2 )) ASSI { 919} (( segid " " and resid 47 and name HN )) (( segid " " and resid 44 and name HB1 )) 3.600 1.600 1.600 peak 919 spectrum 1 weight 0.10000E+01 volume 0.84706E-03 ppm1 8.717 ppm2 2.171 CV 1 OR { 919} (( segid " " and resid 147 and name HN )) (( segid " " and resid 144 and name HB1 )) ASSI { 925} (( segid " " and resid 65 and name HN )) ( segid " " and resid 141 and name HE% ) 3.300 1.300 1.300 peak 925 spectrum 1 weight 0.10000E+01 volume 0.24810E-02 ppm1 7.918 ppm2 6.962 CV 1 OR { 925} (( segid " " and resid 165 and name HN )) ( segid " " and resid 41 and name HE% ) OR { 925} (( segid " " and resid 65 and name HN )) ( segid " " and resid 41 and name HE% ) ASSI { 928} (( segid " " and resid 165 and name HN )) (( segid " " and resid 164 and name HA )) 3.500 1.600 1.600 peak 928 spectrum 1 weight 0.10000E+01 volume 0.49090E-03 ppm1 7.918 ppm2 3.393 CV 1 OR { 928} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) ASSI { 929} (( segid " " and resid 165 and name HN )) (( segid " " and resid 165 and name HB1 )) 3.000 1.100 1.100 peak 929 spectrum 1 weight 0.10000E+01 volume 0.62133E-02 ppm1 7.918 ppm2 3.000 CV 1 OR { 929} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB1 )) ASSI { 931} (( segid " " and resid 165 and name HN )) (( segid " " and resid 166 and name HB2 )) 6.000 6.000 0.000 peak 931 spectrum 1 weight 0.10000E+01 volume 0.25263E-04 ppm1 7.917 ppm2 2.264 CV 1 OR { 931} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HB2 )) OR { 931} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HB1 )) OR { 931} (( segid " " and resid 165 and name HN )) (( segid " " and resid 166 and name HB1 )) ASSI { 933} (( segid " " and resid 65 and name HN )) ( segid " " and resid 61 and name HG2%) 6.000 6.000 0.000 peak 933 spectrum 1 weight 0.10000E+01 volume 0.24815E-04 ppm1 7.918 ppm2 1.265 CV 1 OR { 933} (( segid " " and resid 165 and name HN )) ( segid " " and resid 161 and name HG2%) ASSI { 936} (( segid " " and resid 165 and name HN )) ( segid " " and resid 168 and name HG2%) 5.300 3.400 0.700 peak 936 spectrum 1 weight 0.10000E+01 volume 0.19148E-03 ppm1 7.918 ppm2 0.612 CV 1 OR { 936} (( segid " " and resid 65 and name HN )) ( segid " " and resid 68 and name HG2%) OR { 936} (( segid " " and resid 65 and name HN )) ( segid " " and resid 168 and name HG2%) ASSI { 940} (( segid " " and resid 175 and name HD21)) (( segid " " and resid 171 and name HD1 )) 2.600 2.600 3.400 peak 940 spectrum 1 weight 0.10000E+01 volume 0.90869E-03 ppm1 6.713 ppm2 7.396 CV 1 OR { 940} (( segid " " and resid 75 and name HD21)) (( segid " " and resid 71 and name HD1 )) ASSI { 941} (( segid " " and resid 175 and name HD21)) (( segid " " and resid 171 and name HZ3 )) 4.500 2.500 1.500 peak 941 spectrum 1 weight 0.10000E+01 volume 0.30281E-03 ppm1 6.713 ppm2 7.101 CV 1 OR { 941} (( segid " " and resid 75 and name HD21)) (( segid " " and resid 71 and name HZ3 )) OR { 941} (( segid " " and resid 75 and name HD21)) (( segid " " and resid 74 and name HN )) ASSI { 946} (( segid " " and resid 75 and name HD21)) (( segid " " and resid 148 and name HB1 )) 3.400 1.500 1.500 peak 946 spectrum 1 weight 0.10000E+01 volume 0.13628E-02 ppm1 6.714 ppm2 1.947 CV 1 OR { 946} (( segid " " and resid 75 and name HD21)) (( segid " " and resid 156 and name HB2 )) OR { 946} (( segid " " and resid 75 and name HD21)) (( segid " " and resid 155 and name HB2 )) OR { 946} (( segid " " and resid 75 and name HD21)) (( segid " " and resid 148 and name HG2 )) OR { 946} (( segid " " and resid 175 and name HD21)) (( segid " " and resid 48 and name HG1 )) ASSI { 947} (( segid " " and resid 75 and name HD21)) ( segid " " and resid 152 and name HB% ) 3.600 1.700 1.700 peak 947 spectrum 1 weight 0.10000E+01 volume 0.32166E-02 ppm1 6.713 ppm2 1.789 CV 1 OR { 947} (( segid " " and resid 175 and name HD21)) ( segid " " and resid 52 and name HB% ) ASSI { 953} (( segid " " and resid 175 and name HD22)) (( segid " " and resid 175 and name HA )) 6.000 5.500 0.000 peak 953 spectrum 1 weight 0.10000E+01 volume 0.13630E-03 ppm1 6.058 ppm2 4.564 CV 1 OR { 953} (( segid " " and resid 75 and name HD22)) (( segid " " and resid 75 and name HA )) ASSI { 954} (( segid " " and resid 75 and name HD22)) (( segid " " and resid 71 and name HA )) 3.500 1.500 1.500 peak 954 spectrum 1 weight 0.10000E+01 volume 0.56683E-03 ppm1 6.056 ppm2 4.190 CV 1 OR { 954} (( segid " " and resid 75 and name HD22)) (( segid " " and resid 148 and name HA )) OR { 954} (( segid " " and resid 75 and name HD22)) (( segid " " and resid 151 and name HA )) ASSI { 955} (( segid " " and resid 75 and name HD22)) (( segid " " and resid 148 and name HB1 )) 4.300 2.400 1.700 peak 955 spectrum 1 weight 0.10000E+01 volume 0.31508E-03 ppm1 6.056 ppm2 1.948 CV 1 OR { 955} (( segid " " and resid 75 and name HD22)) (( segid " " and resid 155 and name HB2 )) OR { 955} (( segid " " and resid 75 and name HD22)) (( segid " " and resid 156 and name HB2 )) OR { 955} (( segid " " and resid 75 and name HD22)) (( segid " " and resid 155 and name HG1 )) OR { 955} (( segid " " and resid 75 and name HD22)) (( segid " " and resid 148 and name HG2 )) ASSI { 956} (( segid " " and resid 75 and name HD22)) ( segid " " and resid 152 and name HB% ) 2.700 0.900 0.900 peak 956 spectrum 1 weight 0.10000E+01 volume 0.17442E-02 ppm1 6.058 ppm2 1.789 CV 1 OR { 956} (( segid " " and resid 175 and name HD22)) ( segid " " and resid 52 and name HB% ) ASSI { 961} (( segid " " and resid 153 and name HN )) (( segid " " and resid 71 and name HZ3 )) 5.800 4.200 0.200 peak 961 spectrum 1 weight 0.10000E+01 volume 0.10254E-03 ppm1 8.447 ppm2 7.123 CV 1 OR { 961} (( segid " " and resid 53 and name HN )) (( segid " " and resid 171 and name HZ3 )) ASSI { 962} (( segid " " and resid 153 and name HN )) (( segid " " and resid 150 and name HG2 )) 4.800 2.800 1.200 peak 962 spectrum 1 weight 0.10000E+01 volume 0.17290E-03 ppm1 8.446 ppm2 1.269 CV 1 OR { 962} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HG2 )) OR { 962} (( segid " " and resid 153 and name HN )) (( segid " " and resid 160 and name HG12)) OR { 962} (( segid " " and resid 53 and name HN )) (( segid " " and resid 60 and name HG12)) ASSI { 966} (( segid " " and resid 153 and name HN )) ( segid " " and resid 149 and name HD% ) 4.400 2.400 1.600 peak 966 spectrum 1 weight 0.10000E+01 volume 0.59440E-03 ppm1 8.446 ppm2 6.958 CV 1 OR { 966} (( segid " " and resid 53 and name HN )) ( segid " " and resid 49 and name HD% ) ASSI { 967} (( segid " " and resid 53 and name HN )) (( segid " " and resid 171 and name HH2 )) 4.100 2.100 1.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.42775E-03 ppm1 8.445 ppm2 6.793 CV 1 OR { 967} (( segid " " and resid 153 and name HN )) (( segid " " and resid 71 and name HH2 )) ASSI { 968} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HA )) 3.300 1.300 1.300 peak 968 spectrum 1 weight 0.10000E+01 volume 0.14612E-02 ppm1 8.446 ppm2 4.301 CV 1 OR { 968} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HA )) ASSI { 969} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HA )) 3.800 1.800 1.800 peak 969 spectrum 1 weight 0.10000E+01 volume 0.11564E-02 ppm1 8.446 ppm2 4.229 CV 1 OR { 969} (( segid " " and resid 153 and name HN )) (( segid " " and resid 151 and name HA )) OR { 969} (( segid " " and resid 153 and name HN )) (( segid " " and resid 154 and name HA )) OR { 969} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HA )) ASSI { 971} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HA )) 3.400 1.400 1.400 peak 971 spectrum 1 weight 0.10000E+01 volume 0.98189E-03 ppm1 8.446 ppm2 3.442 CV 1 OR { 971} (( segid " " and resid 153 and name HN )) (( segid " " and resid 150 and name HA )) ASSI { 976} (( segid " " and resid 53 and name HN )) ( segid " " and resid 54 and name HB% ) 3.700 1.700 1.700 peak 976 spectrum 1 weight 0.10000E+01 volume 0.31808E-02 ppm1 8.446 ppm2 1.546 CV 1 OR { 976} (( segid " " and resid 153 and name HN )) ( segid " " and resid 154 and name HB% ) OR { 976} (( segid " " and resid 53 and name HN )) ( segid " " and resid 51 and name HB% ) OR { 976} (( segid " " and resid 153 and name HN )) ( segid " " and resid 151 and name HB% ) ASSI { 977} (( segid " " and resid 153 and name HN )) ( segid " " and resid 158 and name HG2%) 4.700 2.700 1.300 peak 977 spectrum 1 weight 0.10000E+01 volume 0.73995E-03 ppm1 8.446 ppm2 1.180 CV 1 OR { 977} (( segid " " and resid 53 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 981} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB )) 3.800 1.800 1.800 peak 981 spectrum 1 weight 0.10000E+01 volume 0.72882E-03 ppm1 8.234 ppm2 4.212 CV 1 OR { 981} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB )) ASSI { 988} (( segid " " and resid 156 and name HN )) (( segid " " and resid 154 and name HA )) 3.900 1.900 1.900 peak 988 spectrum 1 weight 0.10000E+01 volume 0.73842E-03 ppm1 7.539 ppm2 4.237 CV 1 OR { 988} (( segid " " and resid 56 and name HN )) (( segid " " and resid 54 and name HA )) ASSI { 990} (( segid " " and resid 156 and name HN )) (( segid " " and resid 153 and name HA )) 3.000 1.100 1.100 peak 990 spectrum 1 weight 0.10000E+01 volume 0.46803E-02 ppm1 7.540 ppm2 3.976 CV 1 OR { 990} (( segid " " and resid 56 and name HN )) (( segid " " and resid 53 and name HA )) OR { 990} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HA1 )) OR { 990} (( segid " " and resid 156 and name HN )) (( segid " " and resid 157 and name HA1 )) ASSI { 993} (( segid " " and resid 156 and name HN )) (( segid " " and resid 156 and name HB2 )) 2.100 0.600 0.600 peak 993 spectrum 1 weight 0.10000E+01 volume 0.11230E-01 ppm1 7.540 ppm2 1.933 CV 1 OR { 993} (( segid " " and resid 156 and name HN )) (( segid " " and resid 155 and name HB2 )) OR { 993} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB1 )) OR { 993} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB1 )) ASSI { 996} (( segid " " and resid 156 and name HN )) ( segid " " and resid 158 and name HG2%) 3.500 1.500 1.500 peak 996 spectrum 1 weight 0.10000E+01 volume 0.19595E-02 ppm1 7.539 ppm2 1.179 CV 1 OR { 996} (( segid " " and resid 56 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 998} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HN )) 3.700 1.700 1.700 peak 998 spectrum 1 weight 0.10000E+01 volume 0.89663E-03 ppm1 8.128 ppm2 8.508 CV 1 OR { 998} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HN )) ASSI { 999} (( segid " " and resid 114 and name HN )) (( segid " " and resid 115 and name HN )) 4.100 2.100 1.900 peak 999 spectrum 1 weight 0.10000E+01 volume 0.11010E-02 ppm1 8.129 ppm2 8.414 CV 1 OR { 999} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HN )) OR { 999} (( segid " " and resid 14 and name HN )) (( segid " " and resid 16 and name HN )) ASSI { 1002} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HA )) 2.200 0.600 0.600 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.11633E-01 ppm1 8.129 ppm2 4.516 CV 1 OR { 1002} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) ASSI { 1003} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 2.900 1.000 1.000 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.22781E-02 ppm1 8.129 ppm2 4.314 CV 1 OR { 1003} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HA )) ASSI { 1004} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB )) 3.500 1.500 1.500 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.19978E-02 ppm1 8.128 ppm2 4.153 CV 1 OR { 1004} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HB )) ASSI { 1005} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB2 )) 3.400 1.500 1.500 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.24743E-02 ppm1 8.129 ppm2 1.983 CV 1 OR { 1005} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB2 )) OR { 1005} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB1 )) OR { 1005} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HB1 )) ASSI { 1006} (( segid " " and resid 114 and name HN )) ( segid " " and resid 114 and name HG2%) 3.300 1.400 1.400 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.16244E-02 ppm1 8.128 ppm2 1.129 CV 1 OR { 1006} (( segid " " and resid 14 and name HN )) ( segid " " and resid 14 and name HG2%) ASSI { 1011} (( segid " " and resid 175 and name HN )) (( segid " " and resid 171 and name HE3 )) 6.000 6.000 0.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.24431E-04 ppm1 7.496 ppm2 7.268 CV 1 OR { 1011} (( segid " " and resid 75 and name HN )) (( segid " " and resid 71 and name HE3 )) OR { 1011} (( segid " " and resid 75 and name HN )) (( segid " " and resid 71 and name HZ2 )) ASSI { 1012} (( segid " " and resid 175 and name HN )) (( segid " " and resid 174 and name HN )) 2.100 0.600 0.600 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.84706E-02 ppm1 7.496 ppm2 7.098 CV 1 OR { 1012} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HN )) ASSI { 1013} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HD21)) 2.900 1.000 1.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.36098E-02 ppm1 7.496 ppm2 6.713 CV 1 OR { 1013} (( segid " " and resid 175 and name HN )) (( segid " " and resid 175 and name HD21)) ASSI { 1014} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HD22)) 3.800 1.800 1.800 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.45858E-02 ppm1 7.496 ppm2 6.056 CV 1 OR { 1014} (( segid " " and resid 175 and name HN )) (( segid " " and resid 175 and name HD22)) ASSI { 1015} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 2.500 0.800 0.800 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.59393E-02 ppm1 7.496 ppm2 4.564 CV 1 OR { 1015} (( segid " " and resid 175 and name HN )) (( segid " " and resid 175 and name HA )) ASSI { 1017} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HA )) 3.900 1.900 1.900 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.87963E-03 ppm1 7.497 ppm2 4.045 CV 1 OR { 1017} (( segid " " and resid 175 and name HN )) (( segid " " and resid 173 and name HA )) ASSI { 1018} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HA )) 3.200 1.300 1.300 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.34738E-02 ppm1 7.496 ppm2 3.877 CV 1 OR { 1018} (( segid " " and resid 175 and name HN )) (( segid " " and resid 172 and name HA )) OR { 1018} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HA )) OR { 1018} (( segid " " and resid 175 and name HN )) (( segid " " and resid 176 and name HA )) ASSI { 1019} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HG2 )) 3.800 1.800 1.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.19705E-02 ppm1 7.496 ppm2 2.306 CV 1 OR { 1019} (( segid " " and resid 175 and name HN )) (( segid " " and resid 174 and name HG2 )) OR { 1019} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HG1 )) OR { 1019} (( segid " " and resid 175 and name HN )) (( segid " " and resid 174 and name HG1 )) ASSI { 1021} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HB2 )) 2.800 1.000 1.000 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.85364E-02 ppm1 7.496 ppm2 1.973 CV 1 OR { 1021} (( segid " " and resid 175 and name HN )) (( segid " " and resid 176 and name HB2 )) OR { 1021} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HB1 )) OR { 1021} (( segid " " and resid 175 and name HN )) (( segid " " and resid 176 and name HB1 )) ASSI { 1022} (( segid " " and resid 175 and name HN )) (( segid " " and resid 174 and name HB2 )) 2.400 0.700 0.700 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.72565E-02 ppm1 7.496 ppm2 1.789 CV 1 OR { 1022} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) ASSI { 1023} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) 2.900 1.100 1.100 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.81832E-02 ppm1 7.496 ppm2 1.701 CV 1 OR { 1023} (( segid " " and resid 175 and name HN )) (( segid " " and resid 175 and name HB2 )) ASSI { 1025} (( segid " " and resid 175 and name HN )) (( segid " " and resid 175 and name HB1 )) 2.000 0.500 0.500 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.65921E-02 ppm1 7.496 ppm2 0.790 CV 1 OR { 1025} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB1 )) ASSI { 1027} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HN )) 4.800 2.900 1.200 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.32971E-03 ppm1 8.050 ppm2 8.874 CV 1 OR { 1027} (( segid " " and resid 158 and name HN )) (( segid " " and resid 159 and name HN )) ASSI { 1030} (( segid " " and resid 158 and name HN )) (( segid " " and resid 156 and name HN )) 3.700 1.700 1.700 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.17846E-02 ppm1 8.050 ppm2 7.541 CV 1 OR { 1030} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HN )) ASSI { 1032} (( segid " " and resid 158 and name HN )) (( segid " " and resid 156 and name HA )) 3.400 3.400 2.600 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.56698E-03 ppm1 8.050 ppm2 4.428 CV 1 OR { 1032} (( segid " " and resid 158 and name HN )) (( segid " " and resid 162 and name HA )) OR { 1032} (( segid " " and resid 58 and name HN )) (( segid " " and resid 62 and name HA )) ASSI { 1034} (( segid " " and resid 158 and name HN )) (( segid " " and resid 156 and name HB2 )) 3.500 1.500 1.500 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.15440E-02 ppm1 8.050 ppm2 1.927 CV 1 OR { 1034} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HB1 )) ASSI { 1035} (( segid " " and resid 58 and name HN )) ( segid " " and resid 54 and name HB% ) 2.700 2.700 3.300 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.74427E-03 ppm1 8.050 ppm2 1.538 CV 1 OR { 1035} (( segid " " and resid 158 and name HN )) ( segid " " and resid 154 and name HB% ) ASSI { 1036} (( segid " " and resid 58 and name HN )) ( segid " " and resid 63 and name HG2%) 4.500 2.500 1.500 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.50884E-03 ppm1 8.050 ppm2 0.832 CV 1 OR { 1036} (( segid " " and resid 158 and name HN )) ( segid " " and resid 163 and name HG1%) ASSI { 1038} (( segid " " and resid 58 and name HN )) (( segid " " and resid 54 and name HA )) 3.000 1.100 1.100 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.23129E-02 ppm1 8.049 ppm2 4.235 CV 1 OR { 1038} (( segid " " and resid 158 and name HN )) (( segid " " and resid 154 and name HA )) ASSI { 1039} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.500 1.500 1.500 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.15881E-02 ppm1 8.049 ppm2 2.258 CV 1 OR { 1039} (( segid " " and resid 158 and name HN )) (( segid " " and resid 153 and name HB1 )) OR { 1039} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HB1 )) OR { 1039} (( segid " " and resid 158 and name HN )) (( segid " " and resid 156 and name HB1 )) ASSI { 1040} (( segid " " and resid 158 and name HN )) (( segid " " and resid 156 and name HG1 )) 6.000 4.700 0.000 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.10193E-03 ppm1 8.048 ppm2 1.684 CV 1 OR { 1040} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HG1 )) OR { 1040} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HG2 )) ASSI { 1042} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HN )) 2.700 0.900 0.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.23963E-02 ppm1 8.275 ppm2 8.732 CV 1 OR { 1042} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HN )) ASSI { 1044} (( segid " " and resid 161 and name HN )) (( segid " " and resid 162 and name HN )) 2.400 0.700 0.700 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.29820E-02 ppm1 8.275 ppm2 7.659 CV 1 OR { 1044} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HN )) ASSI { 1046} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HA )) 3.800 1.800 1.800 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.13280E-02 ppm1 8.275 ppm2 4.747 CV 1 OR { 1046} (( segid " " and resid 161 and name HN )) (( segid " " and resid 159 and name HA )) ASSI { 1047} (( segid " " and resid 161 and name HN )) (( segid " " and resid 162 and name HA )) 6.000 6.000 0.000 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.24741E-04 ppm1 8.275 ppm2 4.428 CV 1 OR { 1047} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HA )) ASSI { 1048} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB )) 2.300 0.600 0.600 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.90153E-02 ppm1 8.275 ppm2 4.084 CV 1 OR { 1048} (( segid " " and resid 161 and name HN )) (( segid " " and resid 161 and name HB )) OR { 1048} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HB1 )) OR { 1048} (( segid " " and resid 161 and name HN )) (( segid " " and resid 159 and name HB1 )) OR { 1048} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HB2 )) ASSI { 1051} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB )) 3.100 1.200 1.200 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.45602E-02 ppm1 8.275 ppm2 1.636 CV 1 OR { 1051} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HB )) ASSI { 1052} (( segid " " and resid 161 and name HN )) ( segid " " and resid 161 and name HG2%) 2.900 1.100 1.100 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.82032E-02 ppm1 8.275 ppm2 1.266 CV 1 OR { 1052} (( segid " " and resid 61 and name HN )) ( segid " " and resid 61 and name HG2%) OR { 1052} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HG12)) ASSI { 1053} (( segid " " and resid 161 and name HN )) ( segid " " and resid 160 and name HG2%) 2.500 0.800 0.800 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.39850E-02 ppm1 8.275 ppm2 0.627 CV 1 OR { 1053} (( segid " " and resid 61 and name HN )) ( segid " " and resid 60 and name HG2%) ASSI { 1054} (( segid " " and resid 61 and name HN )) ( segid " " and resid 60 and name HD1%) 3.700 1.700 1.700 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.23817E-02 ppm1 8.275 ppm2 0.500 CV 1 OR { 1054} (( segid " " and resid 61 and name HN )) ( segid " " and resid 139 and name HG2%) ASSI { 1055} (( segid " " and resid 161 and name HN )) (( segid " " and resid 160 and name HG11)) 4.000 2.000 2.000 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.80044E-03 ppm1 8.275 ppm2 -0.243 CV 1 OR { 1055} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HG11)) ASSI { 1056} (( segid " " and resid 61 and name HN )) ( segid " " and resid 63 and name HG2%) 5.700 4.000 0.300 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.99282E-04 ppm1 8.274 ppm2 0.814 CV 1 OR { 1056} (( segid " " and resid 161 and name HN )) ( segid " " and resid 37 and name HG1%) OR { 1056} (( segid " " and resid 61 and name HN )) ( segid " " and resid 137 and name HG1%) ASSI { 1057} (( segid " " and resid 174 and name HN )) (( segid " " and resid 172 and name HN )) 5.000 3.100 1.000 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.14580E-03 ppm1 7.099 ppm2 9.443 CV 1 OR { 1057} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HN )) ASSI { 1061} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HD21)) 3.700 1.800 1.800 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.11791E-02 ppm1 7.098 ppm2 6.714 CV 1 OR { 1061} (( segid " " and resid 174 and name HN )) (( segid " " and resid 175 and name HD21)) ASSI { 1062} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HD22)) 4.500 2.500 1.500 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.14331E-02 ppm1 7.098 ppm2 6.055 CV 1 OR { 1062} (( segid " " and resid 174 and name HN )) (( segid " " and resid 175 and name HD22)) ASSI { 1063} (( segid " " and resid 174 and name HN )) (( segid " " and resid 175 and name HA )) 4.700 2.700 1.300 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.83793E-03 ppm1 7.099 ppm2 4.562 CV 1 OR { 1063} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HA )) ASSI { 1066} (( segid " " and resid 174 and name HN )) (( segid " " and resid 172 and name HA )) 4.000 2.000 2.000 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.73426E-03 ppm1 7.097 ppm2 3.875 CV 1 OR { 1066} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HA )) OR { 1066} (( segid " " and resid 174 and name HN )) (( segid " " and resid 176 and name HA )) ASSI { 1069} (( segid " " and resid 174 and name HN )) (( segid " " and resid 173 and name HB2 )) 2.100 0.500 0.500 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.16023E-01 ppm1 7.098 ppm2 1.976 CV 1 OR { 1069} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) OR { 1069} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB1 )) OR { 1069} (( segid " " and resid 174 and name HN )) (( segid " " and resid 173 and name HB1 )) ASSI { 1071} (( segid " " and resid 174 and name HN )) (( segid " " and resid 173 and name HG1 )) 4.000 2.000 2.000 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.17700E-02 ppm1 7.098 ppm2 1.681 CV 1 OR { 1071} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HG1 )) OR { 1071} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HB2 )) OR { 1071} (( segid " " and resid 174 and name HN )) (( segid " " and resid 175 and name HB2 )) ASSI { 1073} (( segid " " and resid 174 and name HN )) (( segid " " and resid 175 and name HB1 )) 4.400 2.400 1.600 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.76142E-03 ppm1 7.098 ppm2 0.791 CV 1 OR { 1073} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HB1 )) ASSI { 1074} (( segid " " and resid 74 and name HN )) (( segid " " and resid 70 and name HA )) 4.800 2.900 1.200 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.10660E-03 ppm1 7.097 ppm2 4.495 CV 1 OR { 1074} (( segid " " and resid 174 and name HN )) (( segid " " and resid 170 and name HA )) ASSI { 1088} (( segid " " and resid 18 and name HD22)) (( segid " " and resid 18 and name HB2 )) 3.700 1.700 1.700 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.24836E-02 ppm1 7.646 ppm2 2.767 CV 1 OR { 1088} (( segid " " and resid 118 and name HD22)) (( segid " " and resid 118 and name HB1 )) ASSI { 1098} (( segid " " and resid 118 and name HD21)) (( segid " " and resid 118 and name HB2 )) 4.000 2.000 2.000 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.32865E-03 ppm1 6.969 ppm2 2.863 CV 1 OR { 1098} (( segid " " and resid 18 and name HD21)) (( segid " " and resid 18 and name HB1 )) ASSI { 1099} (( segid " " and resid 18 and name HD21)) (( segid " " and resid 18 and name HB2 )) 3.500 1.500 1.500 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.80014E-03 ppm1 6.970 ppm2 2.767 CV 1 OR { 1099} (( segid " " and resid 118 and name HD21)) (( segid " " and resid 118 and name HB1 )) ASSI { 1106} (( segid " " and resid 65 and name HD21)) (( segid " " and resid 65 and name HB1 )) 3.700 1.800 1.800 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.19355E-02 ppm1 7.432 ppm2 3.000 CV 1 OR { 1106} (( segid " " and resid 165 and name HD22)) (( segid " " and resid 165 and name HB1 )) ASSI { 1125} (( segid " " and resid 38 and name HD21)) (( segid " " and resid 38 and name HN )) 4.100 2.100 1.900 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.13611E-02 ppm1 7.291 ppm2 8.471 CV 1 OR { 1125} (( segid " " and resid 138 and name HD22)) (( segid " " and resid 138 and name HN )) ASSI { 1126} (( segid " " and resid 38 and name HD21)) (( segid " " and resid 40 and name HD22)) 6.000 4.400 0.000 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.53380E-04 ppm1 7.290 ppm2 7.404 CV 1 OR { 1126} (( segid " " and resid 138 and name HD22)) (( segid " " and resid 140 and name HD22)) ASSI { 1129} (( segid " " and resid 38 and name HD21)) (( segid " " and resid 38 and name HA )) 3.300 1.400 1.400 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.11289E-02 ppm1 7.291 ppm2 5.089 CV 1 OR { 1129} (( segid " " and resid 138 and name HD22)) (( segid " " and resid 138 and name HA )) ASSI { 1130} (( segid " " and resid 38 and name HD21)) (( segid " " and resid 38 and name HB1 )) 2.400 0.700 0.700 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.11979E-01 ppm1 7.291 ppm2 2.435 CV 1 OR { 1130} (( segid " " and resid 38 and name HD21)) (( segid " " and resid 38 and name HB2 )) OR { 1130} (( segid " " and resid 138 and name HD22)) (( segid " " and resid 138 and name HB1 )) OR { 1130} (( segid " " and resid 138 and name HD22)) (( segid " " and resid 138 and name HB2 )) ASSI { 1131} (( segid " " and resid 138 and name HD22)) (( segid " " and resid 36 and name HB1 )) 6.000 5.600 0.000 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.24983E-04 ppm1 7.291 ppm2 1.814 CV 1 OR { 1131} (( segid " " and resid 138 and name HD22)) (( segid " " and resid 36 and name HB2 )) OR { 1131} (( segid " " and resid 38 and name HD21)) (( segid " " and resid 136 and name HB1 )) OR { 1131} (( segid " " and resid 38 and name HD21)) (( segid " " and resid 136 and name HB2 )) OR { 1131} (( segid " " and resid 38 and name HD21)) (( segid " " and resid 39 and name HB )) ASSI { 1132} (( segid " " and resid 138 and name HD22)) (( segid " " and resid 36 and name HG2 )) 3.600 1.600 1.600 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.12419E-02 ppm1 7.291 ppm2 1.619 CV 1 OR { 1132} (( segid " " and resid 138 and name HD22)) (( segid " " and resid 36 and name HG1 )) OR { 1132} (( segid " " and resid 38 and name HD21)) (( segid " " and resid 136 and name HG2 )) OR { 1132} (( segid " " and resid 38 and name HD21)) (( segid " " and resid 136 and name HG1 )) ASSI { 1137} (( segid " " and resid 138 and name HD21)) (( segid " " and resid 139 and name HN )) 5.900 4.400 0.100 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.54957E-04 ppm1 6.629 ppm2 9.199 CV 1 OR { 1137} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 39 and name HN )) ASSI { 1138} (( segid " " and resid 138 and name HD21)) (( segid " " and resid 138 and name HN )) 4.400 2.400 1.600 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.84345E-03 ppm1 6.628 ppm2 8.472 CV 1 OR { 1138} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 38 and name HN )) ASSI { 1139} (( segid " " and resid 138 and name HD21)) (( segid " " and resid 140 and name HD22)) 4.600 2.600 1.400 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.25773E-03 ppm1 6.627 ppm2 7.405 CV 1 OR { 1139} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 40 and name HD22)) ASSI { 1142} (( segid " " and resid 138 and name HD21)) (( segid " " and resid 140 and name HA )) 6.000 5.900 0.000 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.25505E-04 ppm1 6.627 ppm2 5.174 CV 1 OR { 1142} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 40 and name HA )) ASSI { 1143} (( segid " " and resid 138 and name HD21)) (( segid " " and resid 138 and name HA )) 3.700 1.800 1.800 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.56854E-03 ppm1 6.628 ppm2 5.089 CV 1 OR { 1143} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 38 and name HA )) ASSI { 1144} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 136 and name HA )) 4.600 2.600 1.400 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.31044E-03 ppm1 6.628 ppm2 4.598 CV 1 OR { 1144} (( segid " " and resid 138 and name HD21)) (( segid " " and resid 36 and name HA )) ASSI { 1146} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 136 and name HB1 )) 4.400 2.400 1.600 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.29403E-03 ppm1 6.629 ppm2 1.816 CV 1 OR { 1146} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 136 and name HB2 )) OR { 1146} (( segid " " and resid 138 and name HD21)) (( segid " " and resid 36 and name HB1 )) OR { 1146} (( segid " " and resid 138 and name HD21)) (( segid " " and resid 36 and name HB2 )) OR { 1146} (( segid " " and resid 138 and name HD21)) (( segid " " and resid 139 and name HB )) ASSI { 1148} (( segid " " and resid 170 and name HD21)) (( segid " " and resid 170 and name HN )) 4.300 4.300 1.700 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.58844E-04 ppm1 7.801 ppm2 7.706 CV 1 OR { 1148} (( segid " " and resid 70 and name HD21)) (( segid " " and resid 70 and name HN )) ASSI { 1149} (( segid " " and resid 170 and name HD21)) (( segid " " and resid 166 and name HG2 )) 6.000 5.500 0.000 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.25743E-04 ppm1 7.802 ppm2 2.568 CV 1 OR { 1149} (( segid " " and resid 70 and name HD21)) (( segid " " and resid 66 and name HG1 )) ASSI { 1150} (( segid " " and resid 170 and name HD21)) (( segid " " and resid 171 and name HN )) 6.000 4.600 0.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.10101E-03 ppm1 7.799 ppm2 8.520 CV 1 OR { 1150} (( segid " " and resid 70 and name HD21)) (( segid " " and resid 71 and name HN )) ASSI { 1153} (( segid " " and resid 70 and name HD21)) (( segid " " and resid 70 and name HA )) 3.200 1.300 1.300 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.11218E-02 ppm1 7.800 ppm2 4.490 CV 1 OR { 1153} (( segid " " and resid 170 and name HD21)) (( segid " " and resid 170 and name HA )) ASSI { 1154} (( segid " " and resid 170 and name HD21)) (( segid " " and resid 167 and name HA )) 3.200 1.300 1.300 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.17885E-02 ppm1 7.800 ppm2 4.170 CV 1 OR { 1154} (( segid " " and resid 70 and name HD21)) (( segid " " and resid 67 and name HA )) OR { 1154} (( segid " " and resid 170 and name HD21)) (( segid " " and resid 166 and name HA )) OR { 1154} (( segid " " and resid 70 and name HD21)) (( segid " " and resid 66 and name HA )) ASSI { 1155} (( segid " " and resid 170 and name HD21)) (( segid " " and resid 170 and name HB2 )) 2.500 0.800 0.800 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.61070E-02 ppm1 7.800 ppm2 3.084 CV 1 OR { 1155} (( segid " " and resid 70 and name HD21)) (( segid " " and resid 70 and name HB2 )) OR { 1155} (( segid " " and resid 70 and name HD21)) (( segid " " and resid 70 and name HB1 )) OR { 1155} (( segid " " and resid 170 and name HD21)) (( segid " " and resid 170 and name HB1 )) ASSI { 1156} (( segid " " and resid 170 and name HD21)) (( segid " " and resid 169 and name HB2 )) 2.800 1.000 1.000 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.45388E-02 ppm1 7.800 ppm2 2.977 CV 1 OR { 1156} (( segid " " and resid 70 and name HD21)) (( segid " " and resid 69 and name HB2 )) ASSI { 1160} (( segid " " and resid 170 and name HD22)) (( segid " " and resid 166 and name HG2 )) 4.200 2.300 1.800 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.25141E-03 ppm1 7.097 ppm2 2.570 CV 1 OR { 1160} (( segid " " and resid 70 and name HD22)) (( segid " " and resid 66 and name HG1 )) ASSI { 1163} (( segid " " and resid 70 and name HD22)) (( segid " " and resid 70 and name HA )) 4.400 2.400 1.600 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.80778E-03 ppm1 7.095 ppm2 4.491 CV 1 OR { 1163} (( segid " " and resid 170 and name HD22)) (( segid " " and resid 170 and name HA )) ASSI { 1164} (( segid " " and resid 170 and name HD22)) (( segid " " and resid 167 and name HA )) 3.500 1.500 1.500 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.14364E-02 ppm1 7.095 ppm2 4.168 CV 1 OR { 1164} (( segid " " and resid 70 and name HD22)) (( segid " " and resid 67 and name HA )) OR { 1164} (( segid " " and resid 170 and name HD22)) (( segid " " and resid 166 and name HA )) OR { 1164} (( segid " " and resid 70 and name HD22)) (( segid " " and resid 66 and name HA )) ASSI { 1165} (( segid " " and resid 170 and name HD22)) (( segid " " and resid 170 and name HB2 )) 3.300 1.300 1.300 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.44210E-02 ppm1 7.095 ppm2 3.084 CV 1 OR { 1165} (( segid " " and resid 70 and name HD22)) (( segid " " and resid 70 and name HB2 )) OR { 1165} (( segid " " and resid 170 and name HD22)) (( segid " " and resid 170 and name HB1 )) OR { 1165} (( segid " " and resid 70 and name HD22)) (( segid " " and resid 70 and name HB1 )) ASSI { 1177} (( segid " " and resid 40 and name HD22)) (( segid " " and resid 40 and name HD21)) 1.600 0.300 0.600 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.25782E-01 ppm1 7.408 ppm2 6.705 CV 1 OR { 1177} (( segid " " and resid 140 and name HD22)) (( segid " " and resid 140 and name HD21)) ASSI { 1178} (( segid " " and resid 40 and name HD22)) (( segid " " and resid 40 and name HA )) 5.000 3.100 1.000 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.33672E-03 ppm1 7.408 ppm2 5.177 CV 1 OR { 1178} (( segid " " and resid 140 and name HD22)) (( segid " " and resid 140 and name HA )) ASSI { 1180} (( segid " " and resid 40 and name HD22)) (( segid " " and resid 40 and name HB1 )) 3.500 1.500 1.500 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.32383E-02 ppm1 7.408 ppm2 2.333 CV 1 OR { 1180} (( segid " " and resid 140 and name HD22)) (( segid " " and resid 140 and name HB1 )) ASSI { 1181} (( segid " " and resid 140 and name HD22)) ( segid " " and resid 61 and name HG2%) 3.600 1.600 1.600 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.97632E-03 ppm1 7.407 ppm2 1.265 CV 1 OR { 1181} (( segid " " and resid 40 and name HD22)) ( segid " " and resid 161 and name HG2%) ASSI { 1182} (( segid " " and resid 40 and name HD22)) ( segid " " and resid 134 and name HG2%) 2.200 2.200 3.800 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.23428E-02 ppm1 7.408 ppm2 0.723 CV 1 OR { 1182} (( segid " " and resid 140 and name HD22)) ( segid " " and resid 34 and name HG2%) ASSI { 1185} (( segid " " and resid 40 and name HD21)) (( segid " " and resid 38 and name HD21)) 5.200 3.400 0.800 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.24623E-04 ppm1 6.704 ppm2 7.301 CV 1 OR { 1185} (( segid " " and resid 140 and name HD21)) (( segid " " and resid 138 and name HD22)) OR { 1185} (( segid " " and resid 40 and name HD21)) ( segid " " and resid 41 and name HD% ) ASSI { 1187} (( segid " " and resid 40 and name HD21)) (( segid " " and resid 40 and name HA )) 5.300 3.500 0.700 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.10035E-03 ppm1 6.705 ppm2 5.175 CV 1 OR { 1187} (( segid " " and resid 140 and name HD21)) (( segid " " and resid 140 and name HA )) ASSI { 1188} (( segid " " and resid 40 and name HD21)) (( segid " " and resid 40 and name HB2 )) 2.600 0.900 0.900 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.32292E-02 ppm1 6.705 ppm2 2.587 CV 1 OR { 1188} (( segid " " and resid 140 and name HD21)) (( segid " " and resid 140 and name HB2 )) ASSI { 1189} (( segid " " and resid 40 and name HD21)) (( segid " " and resid 40 and name HB1 )) 2.800 1.000 1.000 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.26840E-02 ppm1 6.704 ppm2 2.333 CV 1 OR { 1189} (( segid " " and resid 140 and name HD21)) (( segid " " and resid 140 and name HB1 )) ASSI { 1193} (( segid " " and resid 166 and name HE21)) (( segid " " and resid 166 and name HN )) 3.600 1.600 1.600 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.38960E-03 ppm1 7.437 ppm2 7.796 CV 1 OR { 1193} (( segid " " and resid 66 and name HE22)) (( segid " " and resid 70 and name HD21)) ASSI { 1196} (( segid " " and resid 166 and name HE21)) (( segid " " and resid 166 and name HA )) 4.700 2.700 1.300 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.40766E-03 ppm1 7.437 ppm2 4.159 CV 1 OR { 1196} (( segid " " and resid 66 and name HE22)) (( segid " " and resid 66 and name HA )) ASSI { 1198} (( segid " " and resid 166 and name HE21)) (( segid " " and resid 169 and name HB2 )) 4.700 2.700 1.300 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.24903E-04 ppm1 7.437 ppm2 2.983 CV 1 OR { 1198} (( segid " " and resid 66 and name HE22)) (( segid " " and resid 69 and name HB2 )) OR { 1198} (( segid " " and resid 166 and name HE21)) (( segid " " and resid 165 and name HB1 )) ASSI { 1199} (( segid " " and resid 166 and name HE21)) (( segid " " and resid 166 and name HG2 )) 2.500 0.800 0.800 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.55976E-02 ppm1 7.437 ppm2 2.573 CV 1 OR { 1199} (( segid " " and resid 66 and name HE22)) (( segid " " and resid 66 and name HG1 )) ASSI { 1201} (( segid " " and resid 166 and name HE21)) (( segid " " and resid 166 and name HB1 )) 4.400 2.500 1.600 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.41054E-03 ppm1 7.438 ppm2 2.265 CV 1 OR { 1201} (( segid " " and resid 166 and name HE21)) (( segid " " and resid 166 and name HB2 )) OR { 1201} (( segid " " and resid 66 and name HE22)) (( segid " " and resid 66 and name HB1 )) OR { 1201} (( segid " " and resid 66 and name HE22)) (( segid " " and resid 66 and name HB2 )) ASSI { 1202} (( segid " " and resid 66 and name HE21)) (( segid " " and resid 66 and name HN )) 4.600 2.600 1.400 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.97080E-04 ppm1 6.922 ppm2 7.797 CV 1 OR { 1202} (( segid " " and resid 66 and name HE21)) (( segid " " and resid 70 and name HD21)) ASSI { 1205} (( segid " " and resid 66 and name HE21)) (( segid " " and resid 66 and name HA )) 5.100 3.300 0.900 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.24344E-03 ppm1 6.923 ppm2 4.157 CV 1 OR { 1205} (( segid " " and resid 166 and name HE22)) (( segid " " and resid 166 and name HA )) ASSI { 1208} (( segid " " and resid 66 and name HE21)) (( segid " " and resid 66 and name HG2 )) 3.200 1.300 1.300 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.13249E-02 ppm1 6.923 ppm2 2.429 CV 1 OR { 1208} (( segid " " and resid 166 and name HE22)) (( segid " " and resid 166 and name HG1 )) ASSI { 1209} (( segid " " and resid 66 and name HE21)) (( segid " " and resid 66 and name HB1 )) 6.000 6.000 0.000 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.25875E-04 ppm1 6.923 ppm2 2.262 CV 1 OR { 1209} (( segid " " and resid 66 and name HE21)) (( segid " " and resid 66 and name HB2 )) OR { 1209} (( segid " " and resid 166 and name HE22)) (( segid " " and resid 166 and name HB1 )) OR { 1209} (( segid " " and resid 166 and name HE22)) (( segid " " and resid 166 and name HB2 )) ASSI { 1218} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HB1 )) 6.000 4.500 0.000 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.14516E-03 ppm1 8.563 ppm2 1.766 CV 1 OR { 1218} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HB1 )) ASSI { 1225} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA2 )) 2.400 0.700 0.700 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.53324E-02 ppm1 8.418 ppm2 3.963 CV 1 OR { 1225} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HA1 )) ASSI { 1228} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB2 )) 4.300 2.300 1.700 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.54563E-03 ppm1 8.418 ppm2 3.031 CV 1 OR { 1228} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB2 )) ASSI { 1272} (( segid " " and resid 157 and name HN )) (( segid " " and resid 158 and name HA )) 6.000 6.000 0.000 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.25093E-04 ppm1 7.904 ppm2 4.964 CV 1 OR { 1272} (( segid " " and resid 57 and name HN )) (( segid " " and resid 58 and name HA )) ASSI { 1274} (( segid " " and resid 157 and name HN )) (( segid " " and resid 154 and name HA )) 2.800 1.000 1.000 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.24040E-02 ppm1 7.904 ppm2 4.236 CV 1 OR { 1274} (( segid " " and resid 57 and name HN )) (( segid " " and resid 54 and name HA )) ASSI { 1275} (( segid " " and resid 157 and name HN )) (( segid " " and resid 155 and name HA )) 3.900 1.900 1.900 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.61616E-03 ppm1 7.905 ppm2 4.137 CV 1 OR { 1275} (( segid " " and resid 57 and name HN )) (( segid " " and resid 55 and name HA )) ASSI { 1276} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA1 )) 2.200 0.600 0.600 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.19636E-01 ppm1 7.904 ppm2 3.980 CV 1 OR { 1276} (( segid " " and resid 157 and name HN )) (( segid " " and resid 157 and name HA1 )) ASSI { 1277} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.800 1.800 1.800 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.87337E-03 ppm1 7.904 ppm2 2.262 CV 1 OR { 1277} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB1 )) ASSI { 1278} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HB2 )) 3.200 1.300 1.300 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.21856E-02 ppm1 7.905 ppm2 1.930 CV 1 OR { 1278} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB1 )) ASSI { 1279} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HG2 )) 5.000 3.100 1.000 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.44789E-03 ppm1 7.906 ppm2 1.682 CV 1 OR { 1279} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HG2 )) OR { 1279} (( segid " " and resid 157 and name HN )) (( segid " " and resid 156 and name HG1 )) OR { 1279} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HG1 )) ASSI { 1280} (( segid " " and resid 157 and name HN )) ( segid " " and resid 154 and name HB% ) 2.800 2.800 3.200 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.61728E-03 ppm1 7.904 ppm2 1.540 CV 1 OR { 1280} (( segid " " and resid 57 and name HN )) ( segid " " and resid 54 and name HB% ) ASSI { 1281} (( segid " " and resid 157 and name HN )) ( segid " " and resid 158 and name HG2%) 3.700 1.700 1.700 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.10429E-02 ppm1 7.903 ppm2 1.177 CV 1 OR { 1281} (( segid " " and resid 57 and name HN )) ( segid " " and resid 58 and name HG2%) ! ! unambiguous restraints - the dimer symmetry was maintained by NCS term of CNS ! ! ASSI { 7} (( segid " " and resid 64 and name HN )) ( segid " " and resid 49 and name HD% ) 5.400 3.600 0.600 peak 7 spectrum 1 weight 0.11000E+01 volume 0.15221E-03 ppm1 8.937 ppm2 6.958 CV 1 ASSI { 14} (( segid " " and resid 64 and name HN )) ( segid " " and resid 60 and name HG2%) 3.300 3.300 2.700 peak 14 spectrum 1 weight 0.11000E+01 volume 0.18214E-02 ppm1 8.936 ppm2 0.624 CV 1 ASSI { 76} (( segid " " and resid 46 and name HE1 )) (( segid " " and resid 135 and name HG2 )) 4.100 2.100 1.900 peak 76 spectrum 1 weight 0.11000E+01 volume 0.11101E-02 ppm1 7.699 ppm2 0.958 CV 1 ASSI { 91} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 169 and name HB2 )) 5.900 4.300 0.100 peak 91 spectrum 1 weight 0.11000E+01 volume 0.57969E-04 ppm1 7.398 ppm2 2.986 CV 1 ASSI { 100} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 167 and name HD2%) 2.800 2.800 3.200 peak 100 spectrum 1 weight 0.11000E+01 volume 0.82328E-02 ppm1 7.397 ppm2 0.570 CV 1 ASSI { 102} (( segid " " and resid 171 and name HD1 )) ( segid " " and resid 63 and name HG1%) 3.100 3.100 2.900 peak 102 spectrum 1 weight 0.11000E+01 volume 0.48494E-02 ppm1 7.397 ppm2 -0.194 CV 1 ASSI { 113} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 40 and name HA )) 3.600 1.600 1.600 peak 113 spectrum 1 weight 0.11000E+01 volume 0.11359E-02 ppm1 7.325 ppm2 5.194 CV 1 ASSI { 127} ( segid " " and resid 41 and name HD% ) (( segid " " and resid 136 and name HA )) 4.900 3.000 1.100 peak 127 spectrum 1 weight 0.11000E+01 volume 0.20293E-03 ppm1 7.316 ppm2 4.589 CV 1 ASSI { 146} (( segid " " and resid 171 and name HZ2 )) ( segid " " and resid 63 and name HG1%) 2.800 1.000 1.000 peak 146 spectrum 1 weight 0.11000E+01 volume 0.36896E-02 ppm1 7.305 ppm2 -0.195 CV 1 ASSI { 148} (( segid " " and resid 71 and name HZ2 )) (( segid " " and resid 156 and name HA )) 5.900 4.300 0.100 peak 148 spectrum 1 weight 0.11000E+01 volume 0.21213E-03 ppm1 7.302 ppm2 4.425 CV 1 ASSI { 184} (( segid " " and resid 71 and name HE3 )) ( segid " " and resid 167 and name HD2%) 3.100 1.200 1.200 peak 184 spectrum 1 weight 0.11000E+01 volume 0.13421E-02 ppm1 7.259 ppm2 0.568 CV 1 ASSI { 200} (( segid " " and resid 71 and name HZ3 )) (( segid " " and resid 149 and name HZ )) 4.600 2.600 1.400 peak 200 spectrum 1 weight 0.11000E+01 volume 0.30416E-03 ppm1 7.129 ppm2 6.615 CV 1 ASSI { 206} (( segid " " and resid 71 and name HZ3 )) ( segid " " and resid 158 and name HG2%) 4.400 4.400 1.600 peak 206 spectrum 1 weight 0.11000E+01 volume 0.43682E-03 ppm1 7.129 ppm2 1.179 CV 1 ASSI { 226} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 46 and name HB2 )) 3.800 3.800 2.200 peak 226 spectrum 1 weight 0.11000E+01 volume 0.10900E-02 ppm1 6.958 ppm2 2.975 CV 1 ASSI { 234} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 45 and name HG2 )) 3.600 3.600 2.400 peak 234 spectrum 1 weight 0.11000E+01 volume 0.18350E-02 ppm1 6.957 ppm2 1.417 CV 1 OR { 234} ( segid " " and resid 49 and name HD% ) (( segid " " and resid 45 and name HG1 )) ASSI { 242} ( segid " " and resid 41 and name HE% ) (( segid " " and resid 41 and name HA )) 3.300 1.400 1.400 peak 242 spectrum 1 weight 0.11000E+01 volume 0.29996E-02 ppm1 6.951 ppm2 5.121 CV 1 ASSI { 268} (( segid " " and resid 41 and name HZ )) ( segid " " and resid 63 and name HG1%) 6.000 6.000 0.000 peak 268 spectrum 1 weight 0.11000E+01 volume 0.50547E-04 ppm1 6.884 ppm2 -0.198 CV 1 ASSI { 272} (( segid " " and resid 71 and name HH2 )) (( segid " " and resid 155 and name HB2 )) 3.600 3.600 2.400 peak 272 spectrum 1 weight 0.11000E+01 volume 0.19136E-02 ppm1 6.802 ppm2 1.939 CV 1 ASSI { 282} (( segid " " and resid 71 and name HH2 )) ( segid " " and resid 158 and name HG2%) 2.700 2.700 3.300 peak 282 spectrum 1 weight 0.11000E+01 volume 0.43051E-02 ppm1 6.799 ppm2 1.183 CV 1 ASSI { 285} (( segid " " and resid 171 and name HH2 )) ( segid " " and resid 63 and name HG1%) 3.100 1.200 1.200 peak 285 spectrum 1 weight 0.11000E+01 volume 0.13555E-02 ppm1 6.799 ppm2 -0.194 CV 1 ASSI { 341} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 48 and name HB2 )) 4.300 4.300 1.700 peak 341 spectrum 1 weight 0.11000E+01 volume 0.73100E-03 ppm1 6.504 ppm2 1.926 CV 1 OR { 341} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 48 and name HG1 )) ASSI { 342} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 45 and name HD1 )) 3.300 3.300 2.700 peak 342 spectrum 1 weight 0.11000E+01 volume 0.21291E-02 ppm1 6.502 ppm2 1.822 CV 1 OR { 342} ( segid " " and resid 49 and name HE% ) (( segid " " and resid 45 and name HD2 )) ASSI { 361} (( segid " " and resid 46 and name HD2 )) (( segid " " and resid 41 and name HA )) 5.900 4.400 0.100 peak 361 spectrum 1 weight 0.11000E+01 volume 0.24024E-03 ppm1 6.321 ppm2 5.122 CV 1 ASSI { 90} ( segid " " and resid 49 and name HE% ) ( segid " " and resid 64 and name HG2%) 2.100 2.100 3.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.68076E-02 ppm1 6.507 ppm2 1.139 CV 1 ASSI { 135} ( segid " " and resid 67 and name HD2%) (( segid " " and resid 172 and name HN )) 5.900 4.300 0.100 peak 135 spectrum 1 weight 0.10000E+01 volume 0.72066E-04 ppm1 1.083 ppm2 9.461 CV 1 ASSI { 199} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HN )) 2.000 0.500 0.500 peak 199 spectrum 1 weight 0.10000E+01 volume 0.77803E-02 ppm1 1.142 ppm2 8.947 CV 1 ASSI { 200} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 164 and name HN )) 2.300 2.300 3.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.28279E-02 ppm1 0.955 ppm2 8.949 CV 1 ASSI { 202} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 164 and name HN )) 4.400 2.400 1.600 peak 202 spectrum 1 weight 0.10000E+01 volume 0.81521E-03 ppm1 0.473 ppm2 8.968 CV 1 ASSI { 206} ( segid " " and resid 39 and name HG1%) (( segid " " and resid 164 and name HN )) 6.000 6.000 0.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.19888E-04 ppm1 0.777 ppm2 8.934 CV 1 ASSI { 242} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HN )) 3.300 3.300 2.700 peak 242 spectrum 1 weight 0.10000E+01 volume 0.24303E-02 ppm1 0.513 ppm2 8.750 CV 1 ASSI { 327} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 53 and name HN )) 4.200 2.200 1.800 peak 327 spectrum 1 weight 0.10000E+01 volume 0.41309E-03 ppm1 1.182 ppm2 8.450 CV 1 ASSI { 385} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 152 and name HN )) 3.100 3.100 2.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.15748E-02 ppm1 1.059 ppm2 8.272 CV 1 ASSI { 390} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 61 and name HN )) 3.800 1.800 1.800 peak 390 spectrum 1 weight 0.10000E+01 volume 0.82478E-03 ppm1 0.512 ppm2 8.284 CV 1 ASSI { 391} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 161 and name HN )) 4.100 2.100 1.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.30381E-03 ppm1 0.472 ppm2 8.290 CV 1 ASSI { 409} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 63 and name HN )) 3.600 1.600 1.600 peak 409 spectrum 1 weight 0.10000E+01 volume 0.92299E-03 ppm1 1.143 ppm2 8.255 CV 1 ASSI { 413} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 63 and name HN )) 2.000 2.000 4.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.82387E-02 ppm1 0.836 ppm2 8.253 CV 1 ASSI { 416} ( segid " " and resid 163 and name HG2%) (( segid " " and resid 163 and name HN )) 2.500 0.800 0.800 peak 416 spectrum 1 weight 0.10000E+01 volume 0.21653E-02 ppm1 -0.196 ppm2 8.254 CV 1 ASSI { 471} ( segid " " and resid 52 and name HB% ) (( segid " " and resid 176 and name HN )) 3.000 3.000 3.000 peak 471 spectrum 1 weight 0.10000E+01 volume 0.23537E-02 ppm1 1.820 ppm2 7.958 CV 1 ASSI { 499} ( segid " " and resid 39 and name HG2%) (( segid " " and resid 165 and name HN )) 4.200 2.200 1.800 peak 499 spectrum 1 weight 0.10000E+01 volume 0.49152E-03 ppm1 0.478 ppm2 7.915 CV 1 ASSI { 548} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 62 and name HN )) 4.200 2.200 1.800 peak 548 spectrum 1 weight 0.10000E+01 volume 0.50899E-03 ppm1 0.835 ppm2 7.663 CV 1 ASSI { 609} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 140 and name HD22)) 3.100 3.100 2.900 peak 609 spectrum 1 weight 0.10000E+01 volume 0.15735E-02 ppm1 0.717 ppm2 7.403 CV 1 ASSI { 627} ( segid " " and resid 163 and name HG1%) (( segid " " and resid 71 and name HZ2 )) 2.600 2.600 3.400 peak 627 spectrum 1 weight 0.10000E+01 volume 0.38558E-02 ppm1 0.835 ppm2 7.312 CV 1 ASSI { 670} ( segid " " and resid 72 and name HD2%) ( segid " " and resid 149 and name HD% ) 2.300 2.300 3.700 peak 670 spectrum 1 weight 0.10000E+01 volume 0.97082E-02 ppm1 1.060 ppm2 6.971 CV 1 ASSI { 707} ( segid " " and resid 163 and name HG1%) (( segid " " and resid 71 and name HH2 )) 2.700 0.900 0.900 peak 707 spectrum 1 weight 0.10000E+01 volume 0.20016E-02 ppm1 0.835 ppm2 6.786 CV 1 ASSI { 720} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 140 and name HD21)) 3.300 3.300 2.700 peak 720 spectrum 1 weight 0.10000E+01 volume 0.94731E-03 ppm1 0.715 ppm2 6.714 CV 1 ASSI { 728} ( segid " " and resid 164 and name HG2%) ( segid " " and resid 149 and name HE% ) 2.600 2.600 3.400 peak 728 spectrum 1 weight 0.10000E+01 volume 0.21618E-02 ppm1 0.954 ppm2 6.546 CV 1 ASSI { 740} ( segid " " and resid 72 and name HD2%) ( segid " " and resid 149 and name HE% ) 3.400 3.400 2.600 peak 740 spectrum 1 weight 0.10000E+01 volume 0.11468E-02 ppm1 1.060 ppm2 6.495 CV 1 ASSI { 785} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 149 and name HA )) 2.500 2.500 3.500 peak 785 spectrum 1 weight 0.10000E+01 volume 0.65674E-02 ppm1 1.059 ppm2 4.888 CV 1 ASSI { 1010} ( segid " " and resid 72 and name HD2%) (( segid " " and resid 148 and name HA )) 3.600 1.600 1.600 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.11950E-02 ppm1 1.060 ppm2 4.171 CV 1 ASSI { 1082} (( segid " " and resid 52 and name HA )) (( segid " " and resid 176 and name HA )) 3.300 3.300 2.700 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.61167E-03 ppm1 4.308 ppm2 3.915 CV 1 ASSI { 1177} (( segid " " and resid 52 and name HA )) (( segid " " and resid 48 and name HD1 )) 4.900 3.000 1.100 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.77777E-04 ppm1 4.306 ppm2 3.352 CV 1 ASSI { 1267} ( segid " " and resid 163 and name HG2%) (( segid " " and resid 160 and name HA )) 3.100 1.200 1.200 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.65007E-03 ppm1 -0.198 ppm2 3.136 CV 1 ASSI { 1275} ( segid " " and resid 52 and name HB% ) (( segid " " and resid 49 and name HB2 )) 4.000 2.000 2.000 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.35184E-03 ppm1 1.822 ppm2 3.087 CV 1 ASSI { 1335} ( segid " " and resid 37 and name HG1%) (( segid " " and resid 141 and name HB2 )) 4.000 2.000 2.000 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.64344E-03 ppm1 0.830 ppm2 2.810 CV 1 ASSI { 1337} ( segid " " and resid 37 and name HG2%) (( segid " " and resid 141 and name HB2 )) 2.700 2.700 3.300 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.36594E-02 ppm1 0.658 ppm2 2.813 CV 1 ASSI { 1412} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 140 and name HB1 )) 3.100 3.100 2.900 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.17713E-02 ppm1 1.267 ppm2 2.332 CV 1 ASSI { 1531} (( segid " " and resid 35 and name HE2 )) (( segid " " and resid 143 and name HB2 )) 6.000 5.200 0.000 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.20134E-04 ppm1 2.792 ppm2 2.075 CV 1 OR { 1531} (( segid " " and resid 35 and name HE1 )) (( segid " " and resid 143 and name HB2 )) OR { 1531} (( segid " " and resid 35 and name HE2 )) (( segid " " and resid 143 and name HB1 )) OR { 1531} (( segid " " and resid 35 and name HE1 )) (( segid " " and resid 143 and name HB1 )) ASSI { 1561} (( segid " " and resid 34 and name HA )) (( segid " " and resid 145 and name HB2 )) 5.200 3.400 0.800 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.87243E-04 ppm1 4.512 ppm2 2.043 CV 1 OR { 1561} (( segid " " and resid 34 and name HA )) (( segid " " and resid 145 and name HB1 )) ASSI { 1849} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 63 and name HB )) 2.900 1.000 1.000 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.29697E-02 ppm1 1.140 ppm2 1.634 CV 1 ASSI { 1852} ( segid " " and resid 164 and name HG2%) (( segid " " and resid 163 and name HB )) 3.500 1.600 1.600 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.90940E-03 ppm1 0.950 ppm2 1.651 CV 1 ASSI { 1986} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 145 and name HG2 )) 1.700 1.700 4.300 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.44627E-01 ppm1 1.688 ppm2 1.434 CV 1 OR { 1986} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 145 and name HG1 )) ASSI { 2171} (( segid " " and resid 161 and name HA )) ( segid " " and resid 164 and name HG2%) 3.100 3.100 2.900 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.76097E-03 ppm1 3.847 ppm2 0.971 CV 1 ASSI { 2346} (( segid " " and resid 76 and name HG1 )) ( segid " " and resid 72 and name HD1%) 4.100 2.100 1.900 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.31555E-03 ppm1 2.310 ppm2 0.844 CV 1 OR { 2346} (( segid " " and resid 76 and name HG2 )) ( segid " " and resid 72 and name HD1%) ASSI { 2388} (( segid " " and resid 60 and name HA )) ( segid " " and resid 63 and name HG2%) 2.500 0.800 0.800 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.23167E-02 ppm1 3.145 ppm2 0.826 CV 1 ASSI { 2422} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 134 and name HG2%) 3.700 3.700 2.300 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.70557E-03 ppm1 2.842 ppm2 0.731 CV 1 OR { 2422} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 134 and name HD1%) ASSI { 2423} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 134 and name HG2%) 4.000 2.000 2.000 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.42396E-03 ppm1 2.732 ppm2 0.721 CV 1 OR { 2423} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 134 and name HD1%) ASSI { 2429} (( segid " " and resid 36 and name HG2 )) ( segid " " and resid 34 and name HG2%) 2.700 2.700 3.300 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.16629E-02 ppm1 1.624 ppm2 0.716 CV 1 OR { 2429} (( segid " " and resid 36 and name HG1 )) ( segid " " and resid 34 and name HG2%) ASSI { 2480} ( segid " " and resid 72 and name HD2%) ( segid " " and resid 68 and name HG2%) 3.200 3.200 2.800 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.12685E-02 ppm1 1.065 ppm2 0.607 CV 1 ASSI { 2492} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 167 and name HD2%) 2.500 2.500 3.500 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.62547E-02 ppm1 1.589 ppm2 0.568 CV 1 ASSI { 2541} ( segid " " and resid 72 and name HD2%) ( segid " " and resid 68 and name HG1%) 2.800 2.800 3.200 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.25005E-02 ppm1 1.059 ppm2 0.056 CV 1 ASSI { 2554} (( segid " " and resid 66 and name HB2 )) ( segid " " and resid 63 and name HG1%) 5.700 4.000 0.300 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.58639E-04 ppm1 2.248 ppm2 -0.192 CV 1 OR { 2554} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 63 and name HG1%) ASSI { 2555} (( segid " " and resid 67 and name HG )) ( segid " " and resid 63 and name HG1%) 3.000 3.000 3.000 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.16994E-02 ppm1 2.023 ppm2 -0.205 CV 1 ASSI { 2559} ( segid " " and resid 67 and name HD2%) ( segid " " and resid 63 and name HG1%) 2.300 2.300 3.700 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.50089E-02 ppm1 1.079 ppm2 -0.209 CV 1 ASSI { 2564} ( segid " " and resid 67 and name HD1%) ( segid " " and resid 63 and name HG1%) 2.400 2.400 3.600 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.69535E-02 ppm1 0.568 ppm2 -0.199 CV 1 ASSI { 10} (( segid " " and resid 71 and name HE1 )) ( segid " " and resid 163 and name HG1%) 3.300 3.300 2.700 peak 10 spectrum 1 weight 0.11000E+01 volume 0.24839E-02 ppm1 10.497 ppm2 0.821 CV 1 ASSI { 11} (( segid " " and resid 171 and name HE1 )) ( segid " " and resid 63 and name HG1%) 3.200 3.200 2.800 peak 11 spectrum 1 weight 0.11000E+01 volume 0.28784E-02 ppm1 10.496 ppm2 -0.207 CV 1 ASSI { 134} (( segid " " and resid 43 and name HN )) ( segid " " and resid 134 and name HG2%) 3.600 3.600 2.400 peak 134 spectrum 1 weight 0.11000E+01 volume 0.18730E-02 ppm1 8.817 ppm2 0.718 CV 1 OR { 134} (( segid " " and resid 43 and name HN )) ( segid " " and resid 134 and name HD1%) ASSI { 150} (( segid " " and resid 36 and name HN )) ( segid " " and resid 34 and name HG2%) 6.000 4.900 0.000 peak 150 spectrum 1 weight 0.11000E+01 volume 0.55935E-04 ppm1 8.458 ppm2 0.693 CV 1 ASSI { 183} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HD2 )) 4.200 2.200 1.800 peak 183 spectrum 1 weight 0.11000E+01 volume 0.56542E-04 ppm1 8.337 ppm2 1.799 CV 1 OR { 183} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HD1 )) ASSI { 184} (( segid " " and resid 106 and name HN )) ( segid " " and resid 106 and name HB% ) 2.900 1.000 1.000 peak 184 spectrum 1 weight 0.11000E+01 volume 0.43432E-02 ppm1 8.336 ppm2 1.350 CV 1 ASSI { 198} (( segid " " and resid 112 and name HN )) (( segid " " and resid 110 and name HA )) 3.800 1.800 1.800 peak 198 spectrum 1 weight 0.11000E+01 volume 0.20028E-02 ppm1 8.393 ppm2 4.112 CV 1 ASSI { 221} (( segid " " and resid 112 and name HN )) ( segid " " and resid 110 and name HG1%) 4.200 2.200 1.800 peak 221 spectrum 1 weight 0.11000E+01 volume 0.55479E-04 ppm1 8.393 ppm2 0.927 CV 1 OR { 221} (( segid " " and resid 112 and name HN )) ( segid " " and resid 110 and name HG2%) ASSI { 226} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB2 )) 2.300 0.700 0.700 peak 226 spectrum 1 weight 0.11000E+01 volume 0.13672E-01 ppm1 8.396 ppm2 1.757 CV 1 OR { 226} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB1 )) ASSI { 256} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HN )) 4.900 3.000 1.100 peak 256 spectrum 1 weight 0.11000E+01 volume 0.15048E-03 ppm1 8.380 ppm2 8.518 CV 1 ASSI { 301} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA )) 1.900 0.500 0.500 peak 301 spectrum 1 weight 0.11000E+01 volume 0.21763E-01 ppm1 8.203 ppm2 4.330 CV 1 ASSI { 302} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 2.700 0.900 0.900 peak 302 spectrum 1 weight 0.11000E+01 volume 0.35496E-02 ppm1 8.203 ppm2 4.099 CV 1 ASSI { 303} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HB )) 2.300 0.700 0.700 peak 303 spectrum 1 weight 0.11000E+01 volume 0.79906E-02 ppm1 8.203 ppm2 2.039 CV 1 ASSI { 304} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HG2 )) 4.500 2.600 1.500 peak 304 spectrum 1 weight 0.11000E+01 volume 0.65069E-03 ppm1 8.203 ppm2 1.604 CV 1 OR { 304} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HG1 )) ASSI { 305} (( segid " " and resid 24 and name HN )) ( segid " " and resid 24 and name HG2%) 2.700 0.900 0.900 peak 305 spectrum 1 weight 0.11000E+01 volume 0.73564E-02 ppm1 8.203 ppm2 0.935 CV 1 OR { 305} (( segid " " and resid 24 and name HN )) ( segid " " and resid 24 and name HG1%) ASSI { 314} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HN )) 4.900 3.000 1.100 peak 314 spectrum 1 weight 0.11000E+01 volume 0.31329E-03 ppm1 8.420 ppm2 8.134 CV 1 ASSI { 315} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA )) 3.100 1.200 1.200 peak 315 spectrum 1 weight 0.11000E+01 volume 0.14722E-02 ppm1 8.420 ppm2 4.645 CV 1 ASSI { 316} (( segid " " and resid 115 and name HN )) ( segid " " and resid 114 and name HG2%) 6.000 6.000 0.000 peak 316 spectrum 1 weight 0.11000E+01 volume 0.17783E-04 ppm1 8.420 ppm2 1.129 CV 1 ASSI { 318} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB )) 2.800 1.000 1.000 peak 318 spectrum 1 weight 0.11000E+01 volume 0.21660E-02 ppm1 8.416 ppm2 4.143 CV 1 ASSI { 319} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB1 )) 3.100 1.200 1.200 peak 319 spectrum 1 weight 0.11000E+01 volume 0.16969E-02 ppm1 8.414 ppm2 3.181 CV 1 ASSI { 320} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB2 )) 3.300 1.400 1.400 peak 320 spectrum 1 weight 0.11000E+01 volume 0.30117E-02 ppm1 8.417 ppm2 3.017 CV 1 ASSI { 322} (( segid " " and resid 115 and name HN )) ( segid " " and resid 115 and name HE% ) 6.000 5.300 0.000 peak 322 spectrum 1 weight 0.11000E+01 volume 0.54807E-04 ppm1 8.407 ppm2 7.269 CV 1 ASSI { 323} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 2.100 0.500 0.500 peak 323 spectrum 1 weight 0.11000E+01 volume 0.10935E-01 ppm1 8.407 ppm2 4.312 CV 1 ASSI { 328} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HA )) 2.900 1.000 1.000 peak 328 spectrum 1 weight 0.11000E+01 volume 0.24924E-02 ppm1 8.243 ppm2 4.083 CV 1 ASSI { 331} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HA )) 2.100 0.600 0.600 peak 331 spectrum 1 weight 0.11000E+01 volume 0.14090E-01 ppm1 8.241 ppm2 4.526 CV 1 ASSI { 332} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB )) 2.700 0.900 0.900 peak 332 spectrum 1 weight 0.11000E+01 volume 0.49208E-02 ppm1 8.241 ppm2 2.066 CV 1 ASSI { 333} (( segid " " and resid 110 and name HN )) ( segid " " and resid 110 and name HG2%) 2.700 0.900 0.900 peak 333 spectrum 1 weight 0.11000E+01 volume 0.48797E-02 ppm1 8.241 ppm2 0.936 CV 1 OR { 333} (( segid " " and resid 110 and name HN )) ( segid " " and resid 110 and name HG1%) ASSI { 341} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB2 )) 4.200 2.200 1.800 peak 341 spectrum 1 weight 0.11000E+01 volume 0.11228E-02 ppm1 8.242 ppm2 3.871 CV 1 ASSI { 389} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA )) 2.000 0.500 0.500 peak 389 spectrum 1 weight 0.11000E+01 volume 0.19441E-01 ppm1 8.153 ppm2 4.236 CV 1 ASSI { 390} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HB1 )) 3.200 1.300 1.300 peak 390 spectrum 1 weight 0.11000E+01 volume 0.32002E-02 ppm1 8.152 ppm2 2.033 CV 1 ASSI { 391} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB2 )) 2.300 0.700 0.700 peak 391 spectrum 1 weight 0.11000E+01 volume 0.93063E-02 ppm1 8.154 ppm2 1.779 CV 1 OR { 391} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HB1 )) ASSI { 392} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HG1 )) 3.200 1.300 1.300 peak 392 spectrum 1 weight 0.11000E+01 volume 0.28967E-02 ppm1 8.153 ppm2 1.600 CV 1 OR { 392} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HG2 )) ASSI { 520} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HG1 )) 4.100 2.100 1.900 peak 520 spectrum 1 weight 0.11000E+01 volume 0.85661E-03 ppm1 8.305 ppm2 2.248 CV 1 OR { 520} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HG2 )) ASSI { 521} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HN )) 3.300 1.400 1.400 peak 521 spectrum 1 weight 0.11000E+01 volume 0.12563E-02 ppm1 8.304 ppm2 8.593 CV 1 ASSI { 524} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 2.900 1.100 1.100 peak 524 spectrum 1 weight 0.11000E+01 volume 0.24298E-02 ppm1 8.303 ppm2 4.261 CV 1 ASSI { 525} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA1 )) 2.500 2.500 3.500 peak 525 spectrum 1 weight 0.11000E+01 volume 0.74383E-02 ppm1 8.304 ppm2 3.885 CV 1 ASSI { 526} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB2 )) 2.800 1.000 1.000 peak 526 spectrum 1 weight 0.11000E+01 volume 0.38934E-02 ppm1 8.304 ppm2 1.939 CV 1 OR { 526} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB1 )) ASSI { 559} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HN )) 2.800 1.000 1.000 peak 559 spectrum 1 weight 0.11000E+01 volume 0.14454E-02 ppm1 8.575 ppm2 7.787 CV 1 ASSI { 560} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB1 )) 2.400 0.700 0.700 peak 560 spectrum 1 weight 0.11000E+01 volume 0.39392E-02 ppm1 8.575 ppm2 2.249 CV 1 OR { 560} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB2 )) ASSI { 561} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG )) 1.400 0.300 0.800 peak 561 spectrum 1 weight 0.11000E+01 volume 0.91542E-02 ppm1 8.574 ppm2 2.008 CV 1 ASSI { 572} (( segid " " and resid 67 and name HN )) (( segid " " and resid 64 and name HA )) 6.000 6.000 0.000 peak 572 spectrum 1 weight 0.11000E+01 volume 0.35939E-04 ppm1 8.576 ppm2 3.382 CV 1 ASSI { 573} (( segid " " and resid 67 and name HN )) ( segid " " and resid 67 and name HD2%) 2.700 2.700 3.300 peak 573 spectrum 1 weight 0.11000E+01 volume 0.37742E-02 ppm1 8.574 ppm2 1.072 CV 1 ASSI { 574} (( segid " " and resid 67 and name HN )) ( segid " " and resid 67 and name HD1%) 3.200 1.300 1.300 peak 574 spectrum 1 weight 0.11000E+01 volume 0.55077E-02 ppm1 8.574 ppm2 0.564 CV 1 ASSI { 826} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HN )) 3.000 1.100 1.100 peak 826 spectrum 1 weight 0.11000E+01 volume 0.14328E-02 ppm1 8.274 ppm2 8.727 CV 1 ASSI { 828} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HN )) 2.500 0.800 0.800 peak 828 spectrum 1 weight 0.11000E+01 volume 0.26396E-02 ppm1 8.272 ppm2 7.655 CV 1 ASSI { 829} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB )) 2.400 0.700 0.700 peak 829 spectrum 1 weight 0.11000E+01 volume 0.80866E-02 ppm1 8.272 ppm2 4.076 CV 1 ASSI { 830} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HA )) 2.500 0.800 0.800 peak 830 spectrum 1 weight 0.11000E+01 volume 0.45960E-02 ppm1 8.272 ppm2 3.833 CV 1 ASSI { 831} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB )) 3.200 1.300 1.300 peak 831 spectrum 1 weight 0.11000E+01 volume 0.42590E-02 ppm1 8.273 ppm2 1.631 CV 1 ASSI { 833} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HA )) 5.300 3.500 0.700 peak 833 spectrum 1 weight 0.11000E+01 volume 0.62403E-04 ppm1 8.271 ppm2 3.136 CV 1 ASSI { 836} (( segid " " and resid 61 and name HN )) ( segid " " and resid 60 and name HG2%) 2.500 0.800 0.800 peak 836 spectrum 1 weight 0.11000E+01 volume 0.46589E-02 ppm1 8.273 ppm2 0.620 CV 1 ASSI { 882} (( segid " " and resid 18 and name HD22)) (( segid " " and resid 18 and name HD21)) 2.500 0.800 0.800 peak 882 spectrum 1 weight 0.11000E+01 volume 0.19665E-02 ppm1 7.642 ppm2 6.964 CV 1 ASSI { 921} (( segid " " and resid 48 and name HE )) (( segid " " and resid 48 and name HN )) 6.000 6.000 0.000 peak 921 spectrum 1 weight 0.11000E+01 volume 0.17467E-04 ppm1 7.465 ppm2 8.000 CV 1 ASSI { 962} (( segid " " and resid 70 and name HD22)) ( segid " " and resid 67 and name HD2%) 4.500 4.500 1.500 peak 962 spectrum 1 weight 0.11000E+01 volume 0.46181E-03 ppm1 7.091 ppm2 1.068 CV 1 ASSI { 10} (( segid " " and resid 71 and name HE1 )) ( segid " " and resid 167 and name HD2%) 5.300 3.600 0.700 peak 10 spectrum 1 weight 0.10000E+01 volume 0.10796E-03 ppm1 10.500 ppm2 0.565 CV 1 ASSI { 95} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HG1 )) 4.400 2.400 1.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.72401E-03 ppm1 8.462 ppm2 1.208 CV 1 ASSI { 149} (( segid " " and resid 62 and name HN )) ( segid " " and resid 60 and name HG2%) 6.000 5.400 0.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.53195E-04 ppm1 7.657 ppm2 0.625 CV 1 ASSI { 177} (( segid " " and resid 40 and name HN )) (( segid " " and resid 161 and name HB )) 4.800 2.900 1.200 peak 177 spectrum 1 weight 0.10000E+01 volume 0.39912E-03 ppm1 7.722 ppm2 4.086 CV 1 ASSI { 179} (( segid " " and resid 40 and name HN )) (( segid " " and resid 161 and name HA )) 5.700 4.100 0.300 peak 179 spectrum 1 weight 0.10000E+01 volume 0.16124E-03 ppm1 7.722 ppm2 3.839 CV 1 ASSI { 458} (( segid " " and resid 52 and name HN )) ( segid " " and resid 172 and name HD2%) 3.800 3.800 2.200 peak 458 spectrum 1 weight 0.10000E+01 volume 0.86727E-03 ppm1 8.274 ppm2 1.055 CV 1 ASSI { 722} (( segid " " and resid 66 and name HN )) ( segid " " and resid 63 and name HG1%) 4.200 2.200 1.800 peak 722 spectrum 1 weight 0.10000E+01 volume 0.71799E-03 ppm1 7.793 ppm2 -0.198 CV 1 ASSI { 754} (( segid " " and resid 67 and name HN )) ( segid " " and resid 63 and name HG1%) 3.700 3.700 2.300 peak 754 spectrum 1 weight 0.10000E+01 volume 0.12257E-02 ppm1 8.583 ppm2 -0.198 CV 1 ASSI { 868} (( segid " " and resid 73 and name HN )) ( segid " " and resid 72 and name HD1%) 3.800 1.800 1.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.11542E-02 ppm1 7.463 ppm2 0.872 CV 1 ASSI { 937} (( segid " " and resid 65 and name HN )) ( segid " " and resid 139 and name HG2%) 4.900 3.100 1.100 peak 937 spectrum 1 weight 0.10000E+01 volume 0.34979E-03 ppm1 7.917 ppm2 0.473 CV 1 ASSI { 938} (( segid " " and resid 75 and name HD21)) (( segid " " and resid 71 and name HE1 )) 3.600 1.600 1.600 peak 938 spectrum 1 weight 0.10000E+01 volume 0.62805E-03 ppm1 6.713 ppm2 10.504 CV 1 ASSI { 1103} (( segid " " and resid 65 and name HD21)) ( segid " " and resid 141 and name HE% ) 2.200 2.200 3.800 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.11672E-01 ppm1 7.432 ppm2 6.965 CV 1 ASSI { 1104} (( segid " " and resid 65 and name HD21)) (( segid " " and resid 62 and name HA )) 4.500 2.600 1.500 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.18137E-03 ppm1 7.433 ppm2 4.427 CV 1 ASSI { 1108} (( segid " " and resid 65 and name HD21)) ( segid " " and resid 61 and name HG2%) 2.700 2.700 3.300 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.25027E-02 ppm1 7.432 ppm2 1.265 CV 1 ASSI { 1109} (( segid " " and resid 65 and name HD21)) ( segid " " and resid 139 and name HG2%) 3.500 3.500 2.500 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.18963E-02 ppm1 7.431 ppm2 0.471 CV 1 ASSI { 1116} (( segid " " and resid 118 and name HD21)) (( segid " " and resid 116 and name HA2 )) 5.700 4.100 0.300 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.26087E-04 ppm1 6.964 ppm2 3.847 CV 1 ASSI { 1136} (( segid " " and resid 38 and name HD22)) (( segid " " and resid 137 and name HA )) 4.000 2.000 2.000 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.25274E-03 ppm1 6.637 ppm2 4.157 CV 1 ASSI { 1167} (( segid " " and resid 70 and name HD22)) (( segid " " and resid 66 and name HG2 )) 4.800 2.800 1.200 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.94372E-04 ppm1 7.096 ppm2 2.429 CV 1 ASSI { 1197} (( segid " " and resid 66 and name HE22)) (( segid " " and resid 63 and name HA )) 5.800 4.200 0.200 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.52455E-04 ppm1 7.437 ppm2 3.518 CV 1 ASSI { 1206} (( segid " " and resid 66 and name HE21)) (( segid " " and resid 63 and name HA )) 6.000 5.700 0.000 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.24643E-04 ppm1 6.923 ppm2 3.516 CV 1 ! restraints for symmetric betta-structure interface
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