NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
7678 | 1kuz | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 268} (( segid "B " and resid 14 and name HN )) (( segid "B " and resid 14 and name HA )) 2.500 0.800 0.800 peak 268 weight 0.10000E+01 volume 0.33980E-02 ppm1 8.389 ppm2 4.404 CV 1 OR { 268} (( segid "B " and resid 14 and name HN )) (( segid "B " and resid 13 and name HA )) ASSI { 12} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 19 and name HA )) 2.700 0.900 0.900 peak 12 weight 0.10000E+01 volume 0.29395E-02 ppm1 8.236 ppm2 4.626 CV 1 OR { 12} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 18 and name HA )) ASSI { 14} (( segid "B " and resid 19 and name HN )) (( segid "B " and resid 19 and name HA )) 2.700 0.900 0.900 peak 14 weight 0.10000E+01 volume 0.26700E-02 ppm1 8.137 ppm2 4.622 CV 1 OR { 14} (( segid "B " and resid 19 and name HN )) (( segid "B " and resid 18 and name HA )) ASSI { 29} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 29 and name HA )) 2.400 0.700 0.700 peak 29 weight 0.10000E+01 volume 0.56365E-02 ppm1 8.228 ppm2 4.170 CV 1 OR { 29} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 28 and name HA )) ASSI { 33} (( segid "B " and resid 19 and name HN )) (( segid "B " and resid 15 and name HA )) 2.300 0.600 0.600 peak 33 weight 0.10000E+01 volume 0.90884E-02 ppm1 8.130 ppm2 4.207 CV 1 OR { 33} (( segid "A " and resid 9 and name HN )) (( segid "A " and resid 8 and name HA )) ASSI { 34} (( segid "B " and resid 23 and name HN )) (( segid "B " and resid 22 and name HA )) 2.400 0.700 0.700 peak 34 weight 0.10000E+01 volume 0.60141E-02 ppm1 8.085 ppm2 4.214 CV 1 OR { 34} (( segid "B " and resid 23 and name HN )) (( segid "B " and resid 21 and name HA )) ASSI { 37} (( segid "B " and resid 33 and name HN )) (( segid "B " and resid 30 and name HA )) 2.500 2.500 3.500 peak 37 weight 0.10000E+01 volume 0.50970E-02 ppm1 8.016 ppm2 4.175 CV 1 OR { 37} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 30 and name HA )) ASSI { 39} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 32 and name HA )) 2.400 0.700 0.700 peak 39 weight 0.10000E+01 volume 0.48273E-02 ppm1 7.938 ppm2 4.213 CV 1 OR { 39} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 31 and name HA )) ASSI { 40} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 31 and name HA )) 2.500 0.800 0.800 peak 40 weight 0.10000E+01 volume 0.42880E-02 ppm1 7.939 ppm2 4.176 CV 1 OR { 40} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 30 and name HA )) ASSI { 89} (( segid "B " and resid 14 and name HN )) (( segid "B " and resid 14 and name HB2 )) 2.800 0.900 0.900 peak 89 weight 0.10000E+01 volume 0.42070E-02 ppm1 8.390 ppm2 1.596 CV 1 OR { 89} (( segid "B " and resid 14 and name HN )) (( segid "B " and resid 13 and name HB2 )) ASSI { 103} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 30 and name HB2 )) 2.500 0.800 0.800 peak 103 weight 0.10000E+01 volume 0.25890E-02 ppm1 8.067 ppm2 1.803 CV 1 OR { 103} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 30 and name HB2 )) ASSI { 104} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 30 and name HB1 )) 2.700 0.900 0.900 peak 104 weight 0.10000E+01 volume 0.34790E-02 ppm1 8.066 ppm2 1.739 CV 1 OR { 104} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 30 and name HB1 )) ASSI { 106} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 25 and name HG2 )) 3.100 1.200 1.200 peak 106 weight 0.10000E+01 volume 0.37217E-02 ppm1 8.061 ppm2 1.413 CV 1 OR { 106} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 24 and name HB2 )) OR { 106} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 24 and name HB1 )) ASSI { 142} ( segid "B " and resid 23 and name HD% ) (( segid "B " and resid 25 and name HD1 )) 3.200 3.200 2.800 peak 142 weight 0.10000E+01 volume 0.18608E-02 ppm1 7.247 ppm2 1.613 CV 1 OR { 142} (( segid "B " and resid 35 and name HD1 )) (( segid "B " and resid 34 and name HD2 )) ASSI { 148} (( segid "B " and resid 22 and name HN )) (( segid "B " and resid 22 and name HA )) 2.400 0.700 0.700 peak 148 weight 0.10000E+01 volume 0.66343E-02 ppm1 8.265 ppm2 4.214 CV 1 OR { 148} (( segid "B " and resid 22 and name HN )) (( segid "B " and resid 21 and name HA )) ASSI { 174} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 23 and name HA )) 3.300 3.300 2.700 peak 174 weight 0.10000E+01 volume 0.23463E-02 ppm1 7.344 ppm2 4.540 CV 1 OR { 174} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 26 and name HA )) ASSI { 178} ( segid "B " and resid 23 and name HD% ) (( segid "B " and resid 23 and name HA )) 2.700 0.900 0.900 peak 178 weight 0.10000E+01 volume 0.55017E-02 ppm1 7.243 ppm2 4.540 CV 1 OR { 178} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 26 and name HA )) ASSI { 187} ( segid "A " and resid 7 and name HE% ) ( segid "A " and resid 7 and name HD% ) 1.400 0.300 0.800 peak 187 weight 0.10000E+01 volume 0.93768E-01 ppm1 7.344 ppm2 7.222 CV 1 OR { 187} ( segid "B " and resid 26 and name HE% ) ( segid "B " and resid 26 and name HD% ) ASSI { 206} (( segid "B " and resid 27 and name HN )) (( segid "B " and resid 26 and name HN )) 2.400 0.700 0.700 peak 206 weight 0.10000E+01 volume 0.18878E-02 ppm1 8.196 ppm2 8.056 CV 1 OR { 206} (( segid "B " and resid 25 and name HN )) (( segid "B " and resid 26 and name HN )) ASSI { 209} (( segid "A " and resid 9 and name HN )) (( segid "A " and resid 8 and name HN )) 2.400 0.700 0.700 peak 209 weight 0.10000E+01 volume 0.33709E-02 ppm1 8.126 ppm2 7.991 CV 1 OR { 209} (( segid "A " and resid 9 and name HN )) (( segid "A " and resid 7 and name HN )) ASSI { 212} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 36 and name HN )) 2.300 0.700 0.700 peak 212 weight 0.10000E+01 volume 0.52048E-02 ppm1 7.979 ppm2 8.023 CV 1 OR { 212} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 34 and name HN )) ASSI { 214} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 31 and name HN )) 2.500 0.800 0.800 peak 214 weight 0.10000E+01 volume 0.30205E-02 ppm1 7.939 ppm2 8.059 CV 1 OR { 214} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 30 and name HN )) ASSI { 383} (( segid "A " and resid 6 and name HB1 )) (( segid "A " and resid 10 and name HB2 )) 3.200 1.300 1.300 peak 383 weight 0.10000E+01 volume 0.15642E-02 ppm1 2.966 ppm2 2.736 CV 1 OR { 383} (( segid "A " and resid 7 and name HB2 )) (( segid "A " and resid 10 and name HB2 )) ASSI { 403} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 26 and name HB2 )) 3.800 1.800 1.800 peak 403 weight 0.10000E+01 volume 0.12405E-02 ppm1 2.386 ppm2 3.130 CV 1 OR { 403} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 26 and name HB2 )) ASSI { 433} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 27 and name HG1 )) 2.400 2.400 3.600 peak 433 weight 0.10000E+01 volume 0.10518E-02 ppm1 8.060 ppm2 2.386 CV 1 OR { 433} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 27 and name HG1 )) ASSI { 458} (( segid "B " and resid 17 and name HN )) ( segid "B " and resid 17 and name HG1%) 4.000 2.000 2.000 peak 458 weight 0.10000E+01 volume 0.86299E-03 ppm1 8.020 ppm2 1.112 CV 1 OR { 458} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 16 and name HG21)) OR { 458} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 16 and name HG22)) ASSI { 7} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 7 and name HA )) 2.100 0.600 0.600 peak 7 weight 0.10000E+01 volume 0.12810E-01 ppm1 7.991 ppm2 4.531 CV 1 OR { 7} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 36 and name HA )) OR { 7} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 6 and name HA )) OR { 7} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 23 and name HA )) ASSI { 31} (( segid "B " and resid 27 and name HN )) (( segid "B " and resid 27 and name HA )) 2.700 0.900 0.900 peak 31 weight 0.10000E+01 volume 0.33709E-02 ppm1 8.187 ppm2 4.142 CV 1 OR { 31} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 28 and name HA )) OR { 31} (( segid "B " and resid 25 and name HN )) (( segid "B " and resid 25 and name HA )) OR { 31} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 29 and name HA )) OR { 31} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 28 and name HA )) OR { 31} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 27 and name HA )) OR { 31} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 27 and name HA )) ASSI { 35} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 31 and name HA )) 2.500 0.800 0.800 peak 35 weight 0.10000E+01 volume 0.60409E-02 ppm1 8.066 ppm2 4.221 CV 1 OR { 35} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 30 and name HA )) OR { 35} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 33 and name HA )) OR { 35} (( segid "B " and resid 23 and name HN )) (( segid "B " and resid 22 and name HA )) OR { 35} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 29 and name HA )) OR { 35} (( segid "B " and resid 23 and name HN )) (( segid "B " and resid 21 and name HA )) OR { 35} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 24 and name HA )) OR { 35} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 30 and name HA )) OR { 35} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 34 and name HA )) OR { 35} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 28 and name HA )) ASSI { 36} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 16 and name HB )) 2.500 0.800 0.800 peak 36 weight 0.10000E+01 volume 0.56634E-02 ppm1 8.063 ppm2 4.172 CV 1 OR { 36} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 34 and name HA )) OR { 36} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 31 and name HA )) OR { 36} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 30 and name HA )) OR { 36} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 27 and name HA )) OR { 36} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 27 and name HA )) OR { 36} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 33 and name HA )) OR { 36} (( segid "B " and resid 23 and name HN )) (( segid "B " and resid 22 and name HA )) OR { 36} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 29 and name HA )) OR { 36} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 33 and name HA )) OR { 36} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 24 and name HA )) OR { 36} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 25 and name HA )) OR { 36} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 30 and name HA )) OR { 36} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 31 and name HA )) ASSI { 38} (( segid "B " and resid 33 and name HN )) (( segid "B " and resid 33 and name HA )) 2.100 0.500 0.500 peak 38 weight 0.10000E+01 volume 0.12864E-01 ppm1 8.001 ppm2 4.212 CV 1 OR { 38} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 16 and name HB )) OR { 38} (( segid "A " and resid 8 and name HN )) (( segid "A " and resid 8 and name HA )) OR { 38} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 34 and name HA )) OR { 38} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 24 and name HA )) OR { 38} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 21 and name HA )) OR { 38} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 33 and name HA )) OR { 38} (( segid "B " and resid 33 and name HN )) (( segid "B " and resid 29 and name HA )) OR { 38} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 33 and name HA )) OR { 38} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 34 and name HA )) OR { 38} (( segid "B " and resid 33 and name HN )) (( segid "B " and resid 32 and name HA )) OR { 38} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 31 and name HA )) ASSI { 48} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 32 and name HA )) 2.600 0.800 0.800 peak 48 weight 0.10000E+01 volume 0.40183E-02 ppm1 7.940 ppm2 4.240 CV 1 OR { 48} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 31 and name HA )) OR { 48} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 34 and name HA )) OR { 48} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 32 and name HA )) ASSI { 56} (( segid "A " and resid 8 and name HN )) (( segid "A " and resid 7 and name HB1 )) 2.900 1.000 1.000 peak 56 weight 0.10000E+01 volume 0.26429E-02 ppm1 8.026 ppm2 3.085 CV 1 OR { 56} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 7 and name HB1 )) OR { 56} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 26 and name HB2 )) OR { 56} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 23 and name HB2 )) ASSI { 58} (( segid "A " and resid 8 and name HN )) (( segid "A " and resid 7 and name HB1 )) 2.700 0.900 0.900 peak 58 weight 0.10000E+01 volume 0.29127E-02 ppm1 8.023 ppm2 3.155 CV 1 OR { 58} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 26 and name HB1 )) OR { 58} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 23 and name HB1 )) OR { 58} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 7 and name HB1 )) OR { 58} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 26 and name HB2 )) ASSI { 76} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 20 and name HB2 )) 2.200 0.600 0.600 peak 76 weight 0.10000E+01 volume 0.49621E-02 ppm1 8.202 ppm2 1.900 CV 1 OR { 76} (( segid "B " and resid 27 and name HN )) (( segid "B " and resid 27 and name HB1 )) ASSI { 77} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 32 and name HB2 )) 3.300 1.300 1.300 peak 77 weight 0.10000E+01 volume 0.15911E-02 ppm1 8.203 ppm2 1.870 CV 1 OR { 77} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 32 and name HB2 )) ASSI { 83} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 32 and name HB2 )) 3.700 1.700 1.700 peak 83 weight 0.10000E+01 volume 0.16451E-02 ppm1 8.077 ppm2 1.861 CV 1 OR { 83} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 32 and name HB2 )) ASSI { 85} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 32 and name HB2 )) 3.400 1.500 1.500 peak 85 weight 0.10000E+01 volume 0.18608E-02 ppm1 8.067 ppm2 1.837 CV 1 OR { 85} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 32 and name HB2 )) OR { 85} (( segid "B " and resid 23 and name HN )) (( segid "B " and resid 21 and name HB2 )) ASSI { 105} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 25 and name HD1 )) 3.400 1.400 1.400 peak 105 weight 0.10000E+01 volume 0.15642E-02 ppm1 8.064 ppm2 1.662 CV 1 OR { 105} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 34 and name HD2 )) OR { 105} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 14 and name HB2 )) OR { 105} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 34 and name HD2 )) ASSI { 111} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 34 and name HD2 )) 3.700 1.700 1.700 peak 111 weight 0.10000E+01 volume 0.17799E-02 ppm1 8.012 ppm2 1.596 CV 1 OR { 111} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 34 and name HD2 )) OR { 111} (( segid "B " and resid 33 and name HN )) (( segid "B " and resid 32 and name HG2 )) OR { 111} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 14 and name HB2 )) OR { 111} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 25 and name HD1 )) ASSI { 119} (( segid "B " and resid 33 and name HN )) (( segid "B " and resid 32 and name HB1 )) 2.900 1.000 1.000 peak 119 weight 0.10000E+01 volume 0.15642E-02 ppm1 7.987 ppm2 1.815 CV 1 OR { 119} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 32 and name HB2 )) OR { 119} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 17 and name HB )) OR { 119} (( segid "B " and resid 33 and name HN )) (( segid "B " and resid 32 and name HB2 )) OR { 119} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 32 and name HB1 )) ASSI { 126} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 31 and name HB1 )) 2.700 0.900 0.900 peak 126 weight 0.10000E+01 volume 0.39644E-02 ppm1 7.939 ppm2 1.417 CV 1 OR { 126} (( segid "B " and resid 15 and name HN )) (( segid "B " and resid 12 and name HG2 )) ASSI { 139} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 30 and name HG2 )) 3.300 1.300 1.300 peak 139 weight 0.10000E+01 volume 0.15642E-02 ppm1 7.340 ppm2 1.609 CV 1 OR { 139} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 25 and name HD1 )) ASSI { 155} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 30 and name HB2 )) 3.000 1.100 1.100 peak 155 weight 0.10000E+01 volume 0.18069E-02 ppm1 7.245 ppm2 1.748 CV 1 OR { 155} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 30 and name HB1 )) OR { 155} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 3 and name HB1 )) OR { 155} (( segid "B " and resid 30 and name HH21)) (( segid "B " and resid 30 and name HB1 )) OR { 155} (( segid "B " and resid 35 and name HD1 )) (( segid "B " and resid 32 and name HB1 )) OR { 155} (( segid "B " and resid 30 and name HH21)) (( segid "B " and resid 30 and name HB2 )) ASSI { 166} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 7 and name HB1 )) 2.300 0.700 0.700 peak 166 weight 0.10000E+01 volume 0.60141E-02 ppm1 7.243 ppm2 3.170 CV 1 OR { 166} ( segid "B " and resid 23 and name HD% ) (( segid "B " and resid 23 and name HB1 )) OR { 166} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 26 and name HB1 )) OR { 166} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 11 and name HE )) ASSI { 169} ( segid "B " and resid 23 and name HD% ) (( segid "B " and resid 23 and name HB1 )) 2.700 0.900 0.900 peak 169 weight 0.10000E+01 volume 0.32902E-02 ppm1 7.206 ppm2 3.185 CV 1 OR { 169} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 26 and name HB1 )) OR { 169} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 11 and name HE )) ASSI { 170} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 7 and name HB1 )) 2.400 0.700 0.700 peak 170 weight 0.10000E+01 volume 0.29666E-02 ppm1 7.194 ppm2 3.128 CV 1 OR { 170} (( segid "B " and resid 30 and name HH21)) (( segid "B " and resid 30 and name HD2 )) ASSI { 171} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 7 and name HB1 )) 3.400 1.400 1.400 peak 171 weight 0.10000E+01 volume 0.19417E-02 ppm1 7.187 ppm2 3.158 CV 1 OR { 171} (( segid "B " and resid 35 and name HZ3 )) (( segid "B " and resid 32 and name HD2 )) OR { 171} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 11 and name HE )) ASSI { 175} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HA )) 2.700 0.900 0.900 peak 175 weight 0.10000E+01 volume 0.16181E-02 ppm1 7.338 ppm2 4.220 CV 1 OR { 175} ( segid "A " and resid 6 and name HE% ) (( segid "A " and resid 3 and name HA )) ASSI { 179} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HA )) 2.700 0.900 0.900 peak 179 weight 0.10000E+01 volume 0.19957E-02 ppm1 7.243 ppm2 4.167 CV 1 OR { 179} (( segid "B " and resid 35 and name HD1 )) (( segid "B " and resid 32 and name HA )) OR { 179} ( segid "B " and resid 23 and name HD% ) (( segid "B " and resid 24 and name HA )) OR { 179} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 27 and name HA )) OR { 179} (( segid "B " and resid 18 and name HD1 )) (( segid "A " and resid 8 and name HA )) OR { 179} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 24 and name HA )) OR { 179} (( segid "B " and resid 35 and name HH2 )) (( segid "B " and resid 32 and name HA )) OR { 179} ( segid "A " and resid 7 and name HD% ) (( segid "B " and resid 15 and name HA )) OR { 179} (( segid "B " and resid 32 and name HH21)) (( segid "B " and resid 32 and name HA )) ASSI { 181} (( segid "B " and resid 35 and name HD1 )) (( segid "B " and resid 35 and name HA )) 3.200 1.200 1.200 peak 181 weight 0.10000E+01 volume 0.27239E-02 ppm1 7.254 ppm2 4.693 CV 1 OR { 181} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 10 and name HA )) ASSI { 190} ( segid "B " and resid 23 and name HE% ) ( segid "B " and resid 23 and name HD% ) 1.700 0.400 0.500 peak 190 weight 0.10000E+01 volume 0.45928E-01 ppm1 7.344 ppm2 7.244 CV 1 OR { 190} ( segid "B " and resid 26 and name HE% ) ( segid "B " and resid 26 and name HD% ) OR { 190} ( segid "A " and resid 6 and name HE% ) (( segid "A " and resid 6 and name HZ )) ASSI { 218} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 29 and name HN )) 2.500 0.800 0.800 peak 218 weight 0.10000E+01 volume 0.24541E-02 ppm1 8.076 ppm2 8.243 CV 1 OR { 218} (( segid "B " and resid 23 and name HN )) (( segid "B " and resid 22 and name HN )) ASSI { 264} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 32 and name HN )) 3.800 1.800 1.800 peak 264 weight 0.10000E+01 volume 0.10518E-02 ppm1 8.196 ppm2 7.932 CV 1 OR { 264} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 32 and name HN )) ASSI { 265} (( segid "A " and resid 5 and name HN )) (( segid "A " and resid 4 and name HN )) 3.100 1.200 1.200 peak 265 weight 0.10000E+01 volume 0.88997E-03 ppm1 8.245 ppm2 7.826 CV 1 OR { 265} (( segid "A " and resid 5 and name HN )) (( segid "A " and resid 2 and name HN )) ASSI { 277} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD11)) 3.800 1.800 1.800 peak 277 weight 0.10000E+01 volume 0.11596E-02 ppm1 7.325 ppm2 0.822 CV 1 OR { 277} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 15 and name HD11)) ASSI { 286} ( segid "A " and resid 7 and name HD% ) (( segid "B " and resid 15 and name HG21)) 3.400 1.500 1.500 peak 286 weight 0.10000E+01 volume 0.11596E-02 ppm1 7.248 ppm2 0.829 CV 1 OR { 286} ( segid "A " and resid 7 and name HD% ) (( segid "B " and resid 15 and name HD11)) OR { 286} (( segid "A " and resid 2 and name HH2 )) (( segid "B " and resid 15 and name HD11)) OR { 286} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD11)) ASSI { 288} ( segid "A " and resid 7 and name HD% ) (( segid "B " and resid 15 and name HG21)) 3.300 1.300 1.300 peak 288 weight 0.10000E+01 volume 0.13754E-02 ppm1 7.245 ppm2 0.868 CV 1 OR { 288} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HG21)) ASSI { 290} ( segid "A " and resid 7 and name HD% ) (( segid "B " and resid 15 and name HD11)) 3.500 1.600 1.600 peak 290 weight 0.10000E+01 volume 0.14024E-02 ppm1 7.245 ppm2 0.810 CV 1 OR { 290} (( segid "A " and resid 2 and name HH2 )) (( segid "B " and resid 15 and name HD11)) OR { 290} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD11)) ASSI { 291} ( segid "A " and resid 7 and name HD% ) (( segid "B " and resid 15 and name HG21)) 3.600 1.600 1.600 peak 291 weight 0.10000E+01 volume 0.78209E-03 ppm1 7.236 ppm2 0.892 CV 1 OR { 291} (( segid "A " and resid 2 and name HH2 )) (( segid "B " and resid 14 and name HD11)) ASSI { 301} (( segid "B " and resid 35 and name HD1 )) (( segid "B " and resid 32 and name HA )) 3.800 1.800 1.800 peak 301 weight 0.10000E+01 volume 0.83602E-03 ppm1 7.300 ppm2 4.257 CV 1 OR { 301} (( segid "A " and resid 7 and name HZ )) (( segid "A " and resid 11 and name HA )) OR { 301} (( segid "B " and resid 18 and name HD1 )) (( segid "A " and resid 8 and name HA )) OR { 301} (( segid "B " and resid 35 and name HH2 )) (( segid "B " and resid 32 and name HA )) OR { 301} (( segid "B " and resid 32 and name HH21)) (( segid "B " and resid 32 and name HA )) ASSI { 302} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HA )) 2.900 1.100 1.100 peak 302 weight 0.10000E+01 volume 0.11327E-02 ppm1 7.295 ppm2 4.216 CV 1 OR { 302} ( segid "A " and resid 6 and name HE% ) (( segid "A " and resid 3 and name HA )) OR { 302} (( segid "B " and resid 35 and name HD1 )) (( segid "B " and resid 32 and name HA )) OR { 302} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 24 and name HA )) OR { 302} (( segid "B " and resid 32 and name HH21)) (( segid "B " and resid 32 and name HA )) ASSI { 303} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HA )) 3.100 1.200 1.200 peak 303 weight 0.10000E+01 volume 0.70119E-03 ppm1 7.292 ppm2 4.146 CV 1 OR { 303} ( segid "A " and resid 6 and name HE% ) (( segid "A " and resid 3 and name HA )) OR { 303} ( segid "A " and resid 7 and name HD% ) (( segid "B " and resid 15 and name HA )) ASSI { 309} ( segid "B " and resid 15 and name HG1%) ( segid "A " and resid 7 and name HE% ) 4.500 2.600 1.500 peak 309 weight 0.10000E+01 volume 0.56634E-03 ppm1 1.122 ppm2 7.351 CV 1 OR { 309} (( segid "A " and resid 3 and name HG2 )) ( segid "A " and resid 7 and name HE% ) ASSI { 311} ( segid "B " and resid 15 and name HG1%) (( segid "B " and resid 15 and name HD11)) 2.800 1.000 1.000 peak 311 weight 0.10000E+01 volume 0.18339E-02 ppm1 1.125 ppm2 0.787 CV 1 OR { 311} ( segid "B " and resid 17 and name HG1%) (( segid "B " and resid 17 and name HD11)) ASSI { 314} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 6 and name HA )) 3.900 1.900 1.900 peak 314 weight 0.10000E+01 volume 0.10248E-02 ppm1 7.236 ppm2 4.467 CV 1 OR { 314} (( segid "A " and resid 2 and name HH2 )) (( segid "B " and resid 14 and name HA )) ASSI { 316} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 13 and name HA )) 4.400 2.400 1.600 peak 316 weight 0.10000E+01 volume 0.80907E-03 ppm1 7.131 ppm2 4.427 CV 1 OR { 316} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 14 and name HA )) ASSI { 318} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 7 and name HB1 )) 4.000 2.000 2.000 peak 318 weight 0.10000E+01 volume 0.70119E-03 ppm1 7.103 ppm2 3.119 CV 1 OR { 318} ( segid "A " and resid 6 and name HD% ) (( segid "A " and resid 9 and name HD1 )) OR { 318} ( segid "A " and resid 6 and name HD% ) (( segid "A " and resid 7 and name HB1 )) ASSI { 335} (( segid "A " and resid 3 and name HG2 )) (( segid "B " and resid 15 and name HB )) 4.500 2.600 1.500 peak 335 weight 0.10000E+01 volume 0.78209E-03 ppm1 1.051 ppm2 1.800 CV 1 OR { 335} (( segid "A " and resid 3 and name HG2 )) (( segid "A " and resid 8 and name HB2 )) ASSI { 343} ( segid "A " and resid 4 and name HG2%) (( segid "B " and resid 19 and name HA )) 3.700 1.700 1.700 peak 343 weight 0.10000E+01 volume 0.97087E-03 ppm1 0.957 ppm2 4.603 CV 1 OR { 343} (( segid "B " and resid 14 and name HD11)) (( segid "B " and resid 18 and name HA )) OR { 343} (( segid "B " and resid 14 and name HD11)) (( segid "B " and resid 19 and name HA )) OR { 343} ( segid "A " and resid 4 and name HG1%) (( segid "B " and resid 19 and name HA )) ASSI { 344} (( segid "B " and resid 14 and name HD11)) (( segid "B " and resid 18 and name HB2 )) 4.000 2.000 2.000 peak 344 weight 0.10000E+01 volume 0.78209E-03 ppm1 0.963 ppm2 3.269 CV 1 OR { 344} ( segid "A " and resid 4 and name HG2%) (( segid "A " and resid 2 and name HB2 )) OR { 344} (( segid "B " and resid 14 and name HD21)) (( segid "B " and resid 18 and name HB2 )) ASSI { 358} (( segid "B " and resid 15 and name HN )) (( segid "B 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ppm2 4.251 CV 1 OR { 413} (( segid "B " and resid 21 and name HG2 )) (( segid "B " and resid 21 and name HA )) OR { 413} (( segid "B " and resid 24 and name HB1 )) (( segid "B " and resid 21 and name HA )) ASSI { 414} (( segid "B " and resid 24 and name HB1 )) (( segid "B " and resid 24 and name HA )) 2.400 0.700 0.700 peak 414 weight 0.10000E+01 volume 0.69038E-02 ppm1 1.419 ppm2 4.174 CV 1 OR { 414} (( segid "B " and resid 31 and name HB1 )) (( segid "B " and resid 31 and name HA )) OR { 414} (( segid "B " and resid 25 and name HG2 )) (( segid "B " and resid 25 and name HA )) ASSI { 415} (( segid "B " and resid 24 and name HB1 )) (( segid "B " and resid 24 and name HA )) 2.500 0.800 0.800 peak 415 weight 0.10000E+01 volume 0.51509E-02 ppm1 1.419 ppm2 4.210 CV 1 OR { 415} (( segid "B " and resid 31 and name HB1 )) (( segid "B " and resid 31 and name HA )) OR { 415} (( segid "B " and resid 21 and name HG2 )) (( segid "B " and resid 21 and name HA )) OR { 415} (( segid "B " and resid 25 and name HG2 )) (( segid "B " and resid 25 and name HA )) ASSI { 418} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 26 and name HB1 )) 3.200 1.300 1.300 peak 418 weight 0.10000E+01 volume 0.13215E-02 ppm1 7.293 ppm2 3.183 CV 1 OR { 418} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 18 and name HB1 )) OR { 418} (( segid "B " and resid 35 and name HH2 )) (( segid "B " and resid 32 and name HD2 )) OR { 418} (( segid "B " and resid 32 and name HH21)) (( segid "B " and resid 32 and name HD2 )) ASSI { 424} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 27 and name HB1 )) 4.000 2.000 2.000 peak 424 weight 0.10000E+01 volume 0.97087E-03 ppm1 7.335 ppm2 1.907 CV 1 OR { 424} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 11 and name HB2 )) OR { 424} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 27 and name HB1 )) OR { 424} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 20 and name 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HN )) (( segid "B " and resid 23 and name HB2 )) 4.000 2.000 2.000 peak 447 weight 0.10000E+01 volume 0.83602E-03 ppm1 7.994 ppm2 3.048 CV 1 OR { 447} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 6 and name HB1 )) ASSI { 450} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 11 and name HE )) 4.100 2.100 1.900 peak 450 weight 0.10000E+01 volume 0.70119E-03 ppm1 8.258 ppm2 3.252 CV 1 OR { 450} (( segid "B " and resid 16 and name HN )) (( segid "B " and resid 18 and name HB1 )) OR { 450} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 11 and name HD2 )) OR { 450} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 18 and name HB1 )) OR { 450} (( segid "B " and resid 16 and name HN )) (( segid "B " and resid 18 and name HB2 )) ASSI { 451} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 23 and name HB1 )) 3.600 1.600 1.600 peak 451 weight 0.10000E+01 volume 0.83602E-03 ppm1 8.019 ppm2 3.227 CV 1 OR { 451} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 18 and name HB1 )) ASSI { 452} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 32 and name HD2 )) 3.600 1.600 1.600 peak 452 weight 0.10000E+01 volume 0.14833E-02 ppm1 7.938 ppm2 3.158 CV 1 OR { 452} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 7 and name HB1 )) OR { 452} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 32 and name HD2 )) OR { 452} (( segid "B " and resid 15 and name HN )) (( segid "A " and resid 11 and name HE )) ASSI { 457} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 17 and name HG21)) 3.600 1.600 1.600 peak 457 weight 0.10000E+01 volume 0.12675E-02 ppm1 8.017 ppm2 0.863 CV 1 OR { 457} (( segid "A " and resid 8 and name HN )) (( segid "B " and resid 15 and name HG21)) ASSI { 459} (( segid "B " and resid 17 and name HN )) ( segid "B " and resid 17 and name HG1%) 4.400 2.400 1.600 peak 459 weight 0.10000E+01 volume 0.59331E-03 ppm1 8.017 ppm2 1.188 CV 1 OR { 459} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 16 and name HG21)) OR { 459} (( segid "A " and resid 8 and name HN )) ( segid "B " and resid 15 and name HG1%) ASSI { 18} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 7 and name HA )) 2.200 0.600 0.600 peak 18 weight 0.10000E+01 volume 0.77022E-02 ppm1 7.243 ppm2 4.549 CV 1 OR { 18} ( segid "B " and resid 23 and name HD% ) (( segid "B " and resid 23 and name HA )) OR { 18} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 26 and name HA )) ASSI { 20} (( segid "B " and resid 35 and name HD1 )) (( segid "B " and resid 36 and name HA )) 3.700 1.700 1.700 peak 20 weight 0.10000E+01 volume 0.64833E-03 ppm1 7.243 ppm2 4.486 CV 1 OR { 20} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HA )) ASSI { 53} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 27 and name HG1 )) 3.300 1.400 1.400 peak 53 weight 0.10000E+01 volume 0.88172E-03 ppm1 7.361 ppm2 2.425 CV 1 OR { 53} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 27 and name HG1 )) ASSI { 58} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 27 and name HB1 )) 4.200 2.200 1.800 peak 58 weight 0.10000E+01 volume 0.63536E-03 ppm1 7.360 ppm2 1.973 CV 1 OR { 58} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 27 and name HB1 )) ASSI { 61} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 30 and name HB2 )) 3.800 1.800 1.800 peak 61 weight 0.10000E+01 volume 0.11670E-02 ppm1 7.358 ppm2 1.819 CV 1 OR { 61} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 15 and name HB )) ASSI { 68} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 24 and name HB1 )) 3.600 1.600 1.600 peak 68 weight 0.10000E+01 volume 0.14522E-02 ppm1 7.359 ppm2 1.394 CV 1 OR { 68} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 12 and name HG2 )) OR { 68} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 31 and name HB1 )) OR { 68} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 24 and name HB1 )) ASSI { 85} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 18 and name HB1 )) 3.200 1.300 1.300 peak 85 weight 0.10000E+01 volume 0.18153E-02 ppm1 7.321 ppm2 3.192 CV 1 OR { 85} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 11 and name HE )) OR { 85} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 23 and name HB1 )) OR { 85} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 26 and name HB1 )) OR { 85} (( segid "B " and resid 32 and name HH21)) (( segid "B " and resid 32 and name HD2 )) ASSI { 86} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 7 and name HB1 )) 3.900 1.900 1.900 peak 86 weight 0.10000E+01 volume 0.11670E-02 ppm1 7.323 ppm2 3.128 CV 1 OR { 86} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 26 and name HB2 )) OR { 86} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 26 and name HB1 )) OR { 86} (( segid "B " and resid 32 and name HH21)) (( segid "B " and resid 32 and name HD2 )) ASSI { 92} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 27 and name HB2 )) 3.500 1.500 1.500 peak 92 weight 0.10000E+01 volume 0.20228E-02 ppm1 7.324 ppm2 2.049 CV 1 OR { 92} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 27 and name HB2 )) OR { 92} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 4 and name HB )) ASSI { 93} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 22 and name HB2 )) 4.100 2.100 1.900 peak 93 weight 0.10000E+01 volume 0.66130E-03 ppm1 7.324 ppm2 1.982 CV 1 OR { 93} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 27 and name HB1 )) OR { 93} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 27 and name HB2 )) OR { 93} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 27 and name HB2 )) ASSI { 94} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 27 and name HB1 )) 3.700 1.700 1.700 peak 94 weight 0.10000E+01 volume 0.15430E-02 ppm1 7.326 ppm2 1.917 CV 1 OR { 94} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 27 and name HB1 )) OR { 94} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 11 and name HB1 )) OR { 94} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 20 and name HB2 )) ASSI { 95} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 30 and name HB2 )) 3.300 1.300 1.300 peak 95 weight 0.10000E+01 volume 0.11670E-02 ppm1 7.324 ppm2 1.742 CV 1 OR { 95} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 30 and name HB1 )) OR { 95} ( segid "A " and resid 6 and name HE% ) (( segid "A " and resid 3 and name HB2 )) ASSI { 96} ( segid "A " and resid 6 and name HE% ) (( segid "A " and resid 3 and name HB2 )) 3.000 1.100 1.100 peak 96 weight 0.10000E+01 volume 0.16078E-02 ppm1 7.322 ppm2 1.695 CV 1 OR { 96} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 21 and name HD2 )) OR { 96} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 12 and name HD2 )) ASSI { 97} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HB2 )) 3.200 1.300 1.300 peak 97 weight 0.10000E+01 volume 0.18153E-02 ppm1 7.324 ppm2 1.638 CV 1 OR { 97} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 25 and name HD2 )) OR { 97} (( segid "B " and resid 32 and name HH21)) (( segid "B " and resid 32 and name HG1 )) OR { 97} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HG )) OR { 97} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 11 and name HG1 )) ASSI { 98} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 30 and name HG1 )) 3.400 1.400 1.400 peak 98 weight 0.10000E+01 volume 0.11929E-02 ppm1 7.323 ppm2 1.602 CV 1 OR { 98} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HB2 )) OR { 98} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 25 and name HD2 )) OR { 98} (( segid "B " and resid 32 and name HH21)) (( segid "B " and resid 32 and name HG1 )) OR { 98} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HG )) ASSI { 99} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 30 and name HG1 )) 3.500 1.500 1.500 peak 99 weight 0.10000E+01 volume 0.94655E-03 ppm1 7.322 ppm2 1.542 CV 1 OR { 99} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 3 and name HD1 )) ASSI { 100} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 24 and name HB1 )) 3.600 1.600 1.600 peak 100 weight 0.10000E+01 volume 0.13096E-02 ppm1 7.324 ppm2 1.439 CV 1 OR { 100} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 12 and name HG2 )) OR { 100} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 24 and name HB1 )) ASSI { 101} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 21 and name HG1 )) 3.800 1.800 1.800 peak 101 weight 0.10000E+01 volume 0.11929E-02 ppm1 7.320 ppm2 1.399 CV 1 OR { 101} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 24 and name HB1 )) OR { 101} (( segid "B " and resid 18 and name HD1 )) (( segid "A " and resid 8 and name HG1 )) OR { 101} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 12 and name HG2 )) OR { 101} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 31 and name HB1 )) OR { 101} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 24 and name HB1 )) ASSI { 102} (( segid "B " and resid 18 and name HD1 )) (( segid "A " and resid 8 and name HG1 )) 4.400 2.400 1.600 peak 102 weight 0.10000E+01 volume 0.88172E-03 ppm1 7.325 ppm2 1.316 CV 1 OR { 102} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 8 and name HG1 )) ASSI { 105} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HG21)) 3.700 1.800 1.800 peak 105 weight 0.10000E+01 volume 0.14782E-02 ppm1 7.322 ppm2 0.885 CV 1 OR { 105} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HD11)) OR { 105} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 15 and name HG21)) ASSI { 107} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 18 and name HB1 )) 3.500 1.500 1.500 peak 107 weight 0.10000E+01 volume 0.11021E-02 ppm1 7.316 ppm2 3.215 CV 1 OR { 107} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 11 and name HE )) OR { 107} (( segid "B " and resid 35 and name HH2 )) (( segid "B " and resid 32 and name HD2 )) OR { 107} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 23 and name HB1 )) OR { 107} (( segid "B " and resid 32 and name HH21)) (( segid "B " and resid 32 and name HD2 )) ASSI { 109} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 30 and name HB2 )) 3.500 1.600 1.600 peak 109 weight 0.10000E+01 volume 0.12318E-02 ppm1 7.319 ppm2 1.768 CV 1 OR { 109} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 30 and name HB1 )) OR { 109} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 15 and name HB )) OR { 109} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HB )) ASSI { 115} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HG21)) 3.900 1.900 1.900 peak 115 weight 0.10000E+01 volume 0.13355E-02 ppm1 7.318 ppm2 0.846 CV 1 OR { 115} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD11)) OR { 115} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 15 and name HG21)) ASSI { 118} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 30 and name HB2 )) 3.700 1.700 1.700 peak 118 weight 0.10000E+01 volume 0.11151E-02 ppm1 7.312 ppm2 1.829 CV 1 OR { 118} (( segid "B " and resid 18 and name HD1 )) (( segid "A " and resid 8 and name HB1 )) OR { 118} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HB )) OR { 118} (( segid "A " and resid 7 and name HZ )) (( segid "B " and resid 15 and name HB )) ASSI { 122} ( segid "B " and resid 23 and name HD% ) (( segid "B " and resid 23 and name HB1 )) 2.700 0.900 0.900 peak 122 weight 0.10000E+01 volume 0.33064E-02 ppm1 7.261 ppm2 3.190 CV 1 OR { 122} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 26 and name HB1 )) OR { 122} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 18 and name HB1 )) OR { 122} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 11 and name HE )) ASSI { 137} (( segid "A " and resid 2 and name HH2 )) ( segid "B " and resid 15 and name HG1%) 3.500 1.500 1.500 peak 137 weight 0.10000E+01 volume 0.72613E-03 ppm1 7.265 ppm2 1.142 CV 1 OR { 137} ( segid "A " and resid 7 and name HD% ) ( segid "B " and resid 15 and name HG1%) ASSI { 139} ( segid "B " and resid 23 and name HD% ) (( segid "B " and resid 23 and name HB2 )) 3.300 1.300 1.300 peak 139 weight 0.10000E+01 volume 0.10762E-02 ppm1 7.261 ppm2 3.036 CV 1 OR { 139} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 7 and name HB2 )) ASSI { 200} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 26 and name HB2 )) 1.900 0.500 0.500 peak 200 weight 0.10000E+01 volume 0.18127E-01 ppm1 4.549 ppm2 3.119 CV 1 OR { 200} (( segid "B " and resid 23 and name HA )) (( segid "B " and resid 23 and name HB2 )) OR { 200} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 26 and name HB1 )) ASSI { 211} (( segid "A " and resid 6 and name HA )) (( segid "A " and resid 6 and name HB1 )) 2.200 0.600 0.600 peak 211 weight 0.10000E+01 volume 0.10710E-01 ppm1 4.542 ppm2 2.987 CV 1 OR { 211} (( segid "A " and resid 7 and name HA )) (( segid "A " and resid 7 and name HB2 )) ASSI { 221} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 12 and name HB2 )) 4.200 2.200 1.800 peak 221 weight 0.10000E+01 volume 0.73909E-03 ppm1 4.443 ppm2 1.918 CV 1 OR { 221} (( segid "B " and resid 16 and name HA )) (( segid "A " and resid 11 and name HB1 )) ASSI { 222} (( segid "B " and resid 14 and name HA )) (( segid "B " and resid 14 and name HB2 )) 2.800 1.000 1.000 peak 222 weight 0.10000E+01 volume 0.28655E-02 ppm1 4.439 ppm2 1.617 CV 1 OR { 222} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 13 and name HB2 )) OR { 222} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 13 and name HG )) ASSI { 225} (( segid "B " and resid 14 and name HA )) (( segid "B " and resid 14 and name HB2 )) 3.400 1.400 1.400 peak 225 weight 0.10000E+01 volume 0.93358E-03 ppm1 4.402 ppm2 1.640 CV 1 OR { 225} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 13 and name HB2 )) ASSI { 270} (( segid "A " and resid 9 and name HA )) (( segid "A " and resid 8 and name HE2 )) 2.900 1.100 1.100 peak 270 weight 0.10000E+01 volume 0.40975E-02 ppm1 4.228 ppm2 2.996 CV 1 OR { 270} (( segid "A " and resid 3 and name HA )) (( segid "A " and resid 7 and name HB2 )) OR { 270} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 8 and name HE2 )) OR { 270} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 7 and name HB2 )) ASSI { 271} (( segid "B " and resid 20 and name HA )) (( segid "B " and resid 20 and name HG1 )) 2.000 0.500 0.500 peak 271 weight 0.10000E+01 volume 0.23832E-01 ppm1 4.226 ppm2 1.693 CV 1 OR { 271} (( segid "A " and resid 3 and name HA )) (( segid "A " and resid 3 and name HB2 )) OR { 271} (( segid "A " and resid 9 and name HA )) (( segid "A " and resid 9 and name HB2 )) OR { 271} (( segid "B " and resid 34 and name HA )) (( segid "B " and resid 34 and name HB2 )) ASSI { 273} (( segid "B " and resid 16 and name HB )) (( segid "B " and resid 16 and name HG21)) 3.500 1.500 1.500 peak 273 weight 0.10000E+01 volume 0.71316E-03 ppm1 4.224 ppm2 1.158 CV 1 OR { 273} (( segid "B " and resid 15 and name HA )) ( segid "B " and resid 15 and name HG1%) ASSI { 275} (( segid "B " and resid 15 and name HA )) (( segid "A " and resid 3 and name HE1 )) 4.500 2.600 1.500 peak 275 weight 0.10000E+01 volume 0.67426E-03 ppm1 4.216 ppm2 2.890 CV 1 OR { 275} (( segid "A " and resid 3 and name HA )) (( segid "A " and resid 3 and name HE1 )) OR { 275} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 10 and name HB1 )) ASSI { 276} (( segid "B " and resid 30 and name HA )) (( segid "B " and resid 30 and name HG1 )) 3.100 1.200 1.200 peak 276 weight 0.10000E+01 volume 0.17505E-02 ppm1 4.221 ppm2 1.564 CV 1 OR { 276} (( segid "A " and resid 9 and name HA )) (( segid "A " and resid 9 and name HG1 )) OR { 276} (( segid "A " and resid 3 and name HA )) (( segid "A " and resid 3 and name HD1 )) ASSI { 285} (( segid "B " and resid 27 and name HA )) (( segid "B " and resid 27 and name HB1 )) 3.500 1.500 1.500 peak 285 weight 0.10000E+01 volume 0.10373E-02 ppm1 4.192 ppm2 1.973 CV 1 OR { 285} (( segid "B " and resid 22 and name HA )) (( segid "B " and resid 22 and name HB2 )) OR { 285} (( segid "B " and resid 24 and name HA )) (( segid "B " and resid 27 and name HB1 )) ASSI { 287} (( segid "A " and resid 3 and name HA )) (( segid "A " and resid 7 and name HB2 )) 2.800 1.000 1.000 peak 287 weight 0.10000E+01 volume 0.49661E-02 ppm1 4.182 ppm2 2.993 CV 1 OR { 287} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 8 and name HE2 )) OR { 287} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 7 and name HB2 )) OR { 287} (( segid "A " and resid 3 and name HA )) (( segid "A " and resid 6 and name HB1 )) ASSI { 294} (( segid "B " and resid 27 and name HA )) (( segid "B " and resid 27 and name HB1 )) 3.500 1.500 1.500 peak 294 weight 0.10000E+01 volume 0.10503E-02 ppm1 4.162 ppm2 1.971 CV 1 OR { 294} (( segid "B " and resid 24 and name HA )) (( segid "B " and resid 27 and name HB1 )) ASSI { 295} (( segid "B " and resid 28 and name HA )) (( segid "B " and resid 28 and name HB1 )) 3.500 1.500 1.500 peak 295 weight 0.10000E+01 volume 0.79096E-03 ppm1 4.155 ppm2 2.105 CV 1 OR { 295} (( segid "B " and resid 29 and name HA )) (( segid "B " and resid 29 and name HB2 )) ASSI { 309} (( segid "B " and resid 17 and name HA )) (( segid "B " and resid 17 and name HB )) 3.500 1.500 1.500 peak 309 weight 0.10000E+01 volume 0.66130E-03 ppm1 4.031 ppm2 1.836 CV 1 OR { 309} (( segid "A " and resid 4 and name HA )) (( segid "A " and resid 8 and name HB1 )) ASSI { 311} (( segid "A " and resid 4 and name HA )) (( segid "A " and resid 8 and name HB1 )) 4.500 2.600 1.500 peak 311 weight 0.10000E+01 volume 0.71316E-03 ppm1 4.027 ppm2 1.782 CV 1 OR { 311} (( segid "B " and resid 12 and name HA )) (( segid "B " and resid 15 and name HB )) OR { 311} (( segid "A " and resid 4 and name HA )) (( segid "B " and resid 15 and name HB )) ASSI { 336} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 21 and name HD2 )) 3.700 1.700 1.700 peak 336 weight 0.10000E+01 volume 0.90765E-03 ppm1 3.303 ppm2 1.686 CV 1 OR { 336} (( segid "A " and resid 2 and name HB2 )) (( segid "A " and resid 3 and name HB2 )) ASSI { 344} (( segid "B " and resid 12 and name HE2 )) ( segid "B " and resid 15 and name HG1%) 4.100 2.100 1.900 peak 344 weight 0.10000E+01 volume 0.75206E-03 ppm1 3.008 ppm2 1.147 CV 1 OR { 344} (( segid "A " and resid 7 and name HB2 )) ( segid "B " and resid 15 and name HG1%) ASSI { 347} (( segid "A " and resid 10 and name HB1 )) (( segid "A " and resid 11 and name HB1 )) 3.500 1.500 1.500 peak 347 weight 0.10000E+01 volume 0.24117E-02 ppm1 2.881 ppm2 1.917 CV 1 OR { 347} (( segid "A " and resid 3 and name HE1 )) (( segid "B " and resid 12 and name HB2 )) ASSI { 357} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 13 and name HD11)) 2.500 0.800 0.800 peak 357 weight 0.10000E+01 volume 0.24766E-02 ppm1 4.433 ppm2 0.916 CV 1 OR { 357} (( segid "B " and resid 14 and name HA )) (( segid "B " and resid 14 and name HD11)) ASSI { 359} (( segid "B " and resid 14 and name HA )) (( segid "B " and resid 17 and name HG21)) 4.300 2.300 1.700 peak 359 weight 0.10000E+01 volume 0.68723E-03 ppm1 4.414 ppm2 0.840 CV 1 OR { 359} (( segid "B " and resid 16 and name HA )) (( segid "B " and resid 15 and name HG21)) OR { 359} (( segid "B " and resid 14 and name HA )) (( segid "B " and resid 15 and name HD11)) OR { 359} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 15 and name HD11)) OR { 359} (( segid "B " and resid 16 and name HA )) (( segid "B " and resid 17 and name HG21)) OR { 359} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 15 and name HG21)) OR { 359} (( segid "B " and resid 14 and name HA )) (( segid "B " and resid 15 and name HG21)) ASSI { 363} (( segid "B " and resid 16 and name HA )) (( segid "B " and resid 15 and name HG21)) 4.100 2.100 1.900 peak 363 weight 0.10000E+01 volume 0.86875E-03 ppm1 4.371 ppm2 0.839 CV 1 OR { 363} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 15 and name HD11)) OR { 363} (( segid "B " and resid 16 and name HA )) (( segid "B " and resid 17 and name HG21)) OR { 363} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 15 and name HG21)) OR { 363} (( segid "B " and resid 16 and name HA )) (( segid "B " and resid 15 and name HD11)) ASSI { 366} (( segid "A " and resid 4 and name HA )) ( segid "A " and resid 4 and name HG2%) 1.600 1.600 4.400 peak 366 weight 0.10000E+01 volume 0.29253E-01 ppm1 4.028 ppm2 0.946 CV 1 OR { 366} (( segid "B " and resid 12 and name HA )) (( segid "B " and resid 14 and name HD21)) OR { 366} (( segid "A " and resid 4 and name HA )) ( segid "A " and resid 4 and name HG1%) ASSI { 387} (( segid "A " and resid 11 and name HE )) (( segid "B " and resid 15 and name HG21)) 3.600 1.600 1.600 peak 387 weight 0.10000E+01 volume 0.10632E-02 ppm1 3.176 ppm2 0.915 CV 1 OR { 387} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 17 and name HG21)) OR { 387} (( segid "A " and resid 11 and name HD1 )) (( segid "B " and resid 15 and name HG21)) ASSI { 395} (( segid "B " and resid 12 and name HE2 )) (( segid "B " and resid 13 and name HD11)) 3.700 1.700 1.700 peak 395 weight 0.10000E+01 volume 0.10762E-02 ppm1 3.013 ppm2 0.882 CV 1 OR { 395} (( segid "A " and resid 7 and name HB2 )) (( segid "B " and resid 15 and name HG21)) ASSI { 396} (( segid "B " and resid 12 and name HE2 )) (( segid "B " and resid 13 and name HD11)) 3.800 1.800 1.800 peak 396 weight 0.10000E+01 volume 0.10373E-02 ppm1 3.004 ppm2 0.917 CV 1 OR { 396} (( segid "A " and resid 7 and name HB2 )) (( segid "B " and resid 15 and name HG21)) OR { 396} (( segid "A " and resid 7 and name HB2 )) ( segid "A " and resid 4 and name HG1%) ASSI { 405} (( segid "B " and resid 35 and name HA )) (( segid "B " and resid 34 and name HD1 )) 3.800 1.800 1.800 peak 405 weight 0.10000E+01 volume 0.15171E-02 ppm1 4.706 ppm2 1.668 CV 1 OR { 405} (( segid "A " and resid 10 and name HA )) (( segid "A " and resid 11 and name HG1 )) ASSI { 430} (( segid "B " and resid 16 and name HA )) (( segid "B " and resid 16 and name HB )) 3.100 1.200 1.200 peak 430 weight 0.10000E+01 volume 0.17634E-02 ppm1 4.407 ppm2 4.177 CV 1 OR { 430} (( segid "B " and resid 14 and name HA )) (( segid "B " and resid 16 and name HB )) ASSI { 436} (( segid "A " and resid 10 and name HA )) (( segid "A " and resid 6 and name HB1 )) 4.000 2.000 2.000 peak 436 weight 0.10000E+01 volume 0.82986E-03 ppm1 4.706 ppm2 2.999 CV 1 OR { 436} (( segid "A " and resid 10 and name HA )) (( segid "A " and resid 7 and name HB2 )) ASSI { 445} ( segid "A " and resid 6 and name HD% ) (( segid "A " and resid 3 and name HA )) 3.800 1.800 1.800 peak 445 weight 0.10000E+01 volume 0.60943E-03 ppm1 7.106 ppm2 4.229 CV 1 OR { 445} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 3 and name HA )) ASSI { 473} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 15 and name HG21)) 4.500 2.500 1.500 peak 473 weight 0.10000E+01 volume 0.47975E-03 ppm1 7.112 ppm2 0.887 CV 1 OR { 473} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 14 and name HD11)) ASSI { 507} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 4 and name HA )) 4.400 2.400 1.600 peak 507 weight 0.10000E+01 volume 0.62240E-03 ppm1 7.326 ppm2 4.028 CV 1 OR { 507} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 17 and name HA )) OR { 507} (( segid "B " and resid 18 and name HD1 )) (( segid "A " and resid 4 and name HA )) ASSI { 516} (( segid "A " and resid 11 and name HE )) ( segid "B " and resid 15 and name HG1%) 3.900 1.900 1.900 peak 516 weight 0.10000E+01 volume 0.75206E-03 ppm1 3.208 ppm2 1.144 CV 1 OR { 516} (( segid "B " and resid 18 and name HB1 )) ( segid "B " and resid 17 and name HG1%) OR { 516} (( segid "A " and resid 11 and name HD1 )) ( segid "B " and resid 15 and name HG1%) ASSI { 525} ( segid "A " and resid 7 and name HD% ) ( segid "B " and resid 15 and name HG1%) 3.900 1.900 1.900 peak 525 weight 0.10000E+01 volume 0.40195E-03 ppm1 7.195 ppm2 1.121 CV 1 OR { 525} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 3 and name HG2 )) ASSI { 527} (( segid "A " and resid 2 and name HH2 )) ( segid "B " and resid 15 and name HG1%) 3.900 1.900 1.900 peak 527 weight 0.10000E+01 volume 0.37602E-03 ppm1 7.307 ppm2 1.187 CV 1 OR { 527} (( segid "B " and resid 18 and name HD1 )) ( segid "B " and resid 15 and name HG1%) ASSI { 528} (( segid "B " and resid 18 and name HD1 )) ( segid "B " and resid 15 and name HG1%) 4.800 2.900 1.200 peak 528 weight 0.10000E+01 volume 0.36305E-03 ppm1 7.337 ppm2 1.190 CV 1 OR { 528} ( segid "A " and resid 7 and name HE% ) ( segid "B " and resid 15 and name HG1%) ASSI { 536} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 8 and name HG1 )) 4.600 2.700 1.400 peak 536 weight 0.10000E+01 volume 0.36305E-03 ppm1 7.143 ppm2 1.339 CV 1 OR { 536} (( segid "B " and resid 35 and name HZ3 )) (( segid "B " and resid 31 and name HB1 )) ASSI { 541} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 12 and name HG2 )) 4.500 2.500 1.500 peak 541 weight 0.10000E+01 volume 0.31119E-03 ppm1 7.142 ppm2 1.396 CV 1 OR { 541} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 8 and name HG1 )) ASSI { 543} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 15 and name HB )) 4.800 2.800 1.200 peak 543 weight 0.10000E+01 volume 0.47975E-03 ppm1 7.143 ppm2 1.773 CV 1 OR { 543} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 8 and name HB1 )) ASSI { 546} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 1 and name HB2 )) 4.400 2.500 1.600 peak 546 weight 0.10000E+01 volume 0.37602E-03 ppm1 7.143 ppm2 1.862 CV 1 OR { 546} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 15 and name HB )) OR { 546} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 12 and name HB2 )) ASSI { 547} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 1 and name HB2 )) 3.900 1.900 1.900 peak 547 weight 0.10000E+01 volume 0.55757E-03 ppm1 7.111 ppm2 1.887 CV 1 OR { 547} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 12 and name HB2 )) ASSI { 548} (( segid "A " and resid 2 and name HZ2 )) (( segid "B " and resid 15 and name HB )) 4.000 2.000 2.000 peak 548 weight 0.10000E+01 volume 0.38898E-03 ppm1 7.509 ppm2 1.828 CV 1 OR { 548} (( segid "A " and resid 2 and name HZ2 )) (( segid "A " and resid 8 and name HB1 )) ASSI { 551} (( segid "A " and resid 2 and name HE3 )) (( segid "B " and resid 14 and name HG )) 4.900 3.000 1.100 peak 551 weight 0.10000E+01 volume 0.36305E-03 ppm1 7.595 ppm2 1.644 CV 1 OR { 551} (( segid "A " and resid 2 and name HE3 )) (( segid "A " and resid 8 and name HD1 )) ASSI { 554} (( segid "A " and resid 4 and name HN )) (( segid "A " and resid 3 and name HB2 )) 4.500 2.600 1.500 peak 554 weight 0.10000E+01 volume 0.38898E-03 ppm1 7.832 ppm2 1.693 CV 1 OR { 554} (( segid "A " and resid 2 and name HN )) (( segid "A " and resid 3 and name HB2 )) ASSI { 555} (( segid "A " and resid 2 and name HE3 )) (( segid "B " and resid 12 and name HG2 )) 4.600 2.700 1.400 peak 555 weight 0.10000E+01 volume 0.38898E-03 ppm1 7.601 ppm2 1.400 CV 1 OR { 555} (( segid "A " and resid 2 and name HE3 )) (( segid "A " and resid 8 and name HG1 )) ASSI { 557} (( segid "A " and resid 2 and name HE3 )) (( segid "A " and resid 3 and name HG2 )) 3.600 1.700 1.700 peak 557 weight 0.10000E+01 volume 0.27229E-03 ppm1 7.600 ppm2 1.115 CV 1 OR { 557} (( segid "A " and resid 2 and name HE3 )) ( segid "B " and resid 15 and name HG1%) ASSI { 558} (( segid "A " and resid 2 and name HE3 )) (( segid "B " and resid 15 and name HB )) 5.300 3.600 0.700 peak 558 weight 0.10000E+01 volume 0.33712E-03 ppm1 7.594 ppm2 1.822 CV 1 OR { 558} (( segid "A " and resid 2 and name HE3 )) (( segid "A " and resid 8 and name HB1 )) ASSI { 565} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 27 and name HG2 )) 3.800 1.800 1.800 peak 565 weight 0.10000E+01 volume 0.42788E-03 ppm1 7.327 ppm2 2.220 CV 1 OR { 565} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 27 and name HG2 )) ASSI { 573} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 27 and name HG1 )) 4.500 2.500 1.500 peak 573 weight 0.10000E+01 volume 0.42788E-03 ppm1 7.310 ppm2 2.360 CV 1 OR { 573} (( segid "A " and resid 2 and name HH2 )) (( segid "A " and resid 1 and name HG2 )) ASSI { 580} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 19 and name HB2 )) 4.100 2.100 1.900 peak 580 weight 0.10000E+01 volume 0.45381E-03 ppm1 7.273 ppm2 2.738 CV 1 OR { 580} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 10 and name HB2 )) OR { 580} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 19 and name HB1 )) ASSI { 583} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 7 and name HB1 )) 4.400 2.500 1.600 peak 583 weight 0.10000E+01 volume 0.41492E-03 ppm1 7.151 ppm2 3.166 CV 1 OR { 583} ( segid "A " and resid 6 and name HD% ) (( segid "A " and resid 9 and name HD2 )) OR { 583} ( segid "A " and resid 6 and name HD% ) (( segid "A " and resid 9 and name HD1 )) OR { 583} ( segid "A " and resid 6 and name HD% ) (( segid "A " and resid 7 and name HB1 )) OR { 583} (( segid "B " and resid 35 and name HZ3 )) (( segid "B " and resid 32 and name HD2 )) ASSI { 585} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 2 and name HB2 )) 4.900 3.000 1.100 peak 585 weight 0.10000E+01 volume 0.44085E-03 ppm1 7.147 ppm2 3.233 CV 1 OR { 585} ( segid "A " and resid 6 and name HD% ) (( segid "A " and resid 9 and name HD2 )) OR { 585} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 11 and name HE )) ASSI { 588} (( segid "B " and resid 35 and name HZ3 )) (( segid "B " and resid 35 and name HB2 )) 3.400 3.400 2.600 peak 588 weight 0.10000E+01 volume 0.45381E-03 ppm1 7.180 ppm2 3.345 CV 1 OR { 588} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 18 and name HB2 )) ASSI { 599} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 3 and name HB2 )) 4.400 2.400 1.600 peak 599 weight 0.10000E+01 volume 0.50568E-03 ppm1 7.177 ppm2 1.732 CV 1 OR { 599} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 12 and name HD2 )) ASSI { 612} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HA )) 4.300 2.300 1.700 peak 612 weight 0.10000E+01 volume 0.49271E-03 ppm1 7.267 ppm2 4.428 CV 1 OR { 612} (( segid "A " and resid 2 and name HH2 )) (( segid "B " and resid 13 and name HA )) OR { 612} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 16 and name HA )) OR { 612} (( segid "A " and resid 2 and name HH2 )) (( segid "B " and resid 14 and name HA )) ASSI { 613} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 16 and name HA )) 4.700 2.700 1.300 peak 613 weight 0.10000E+01 volume 0.37602E-03 ppm1 7.265 ppm2 4.362 CV 1 OR { 613} ( segid "A " and resid 7 and name HD% ) (( segid "B " and resid 16 and name HA )) ASSI { 614} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HA )) 4.200 2.200 1.800 peak 614 weight 0.10000E+01 volume 0.36305E-03 ppm1 7.314 ppm2 4.461 CV 1 OR { 614} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 13 and name HA )) ASSI { 615} ( segid "A " and resid 6 and name HE% ) (( segid "A " and resid 6 and name HA )) 3.300 3.300 2.700 peak 615 weight 0.10000E+01 volume 0.33712E-03 ppm1 7.367 ppm2 4.491 CV 1 OR { 615} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 6 and name HA )) ASSI { 618} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 19 and name HA )) 4.000 2.000 2.000 peak 618 weight 0.10000E+01 volume 0.42788E-03 ppm1 7.258 ppm2 4.642 CV 1 OR { 618} (( segid "A " and resid 2 and name HD1 )) (( segid "A " and resid 2 and name HA )) OR { 618} (( segid "B " and resid 35 and name HD1 )) (( segid "B " and resid 35 and name HA )) ASSI { 621} (( segid "A " and resid 2 and name HE3 )) (( segid "A " and resid 3 and name HA )) 4.600 2.700 1.400 peak 621 weight 0.10000E+01 volume 0.40195E-03 ppm1 7.596 ppm2 4.212 CV 1 OR { 621} (( segid "A " and resid 2 and name HE3 )) (( segid "A " and resid 1 and name HA )) ASSI { 623} (( segid "A " and resid 9 and name HA )) (( segid "A " and resid 10 and name HB1 )) 4.300 2.300 1.700 peak 623 weight 0.10000E+01 volume 0.58350E-03 ppm1 4.223 ppm2 2.831 CV 1 OR { 623} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 10 and name HB1 )) ASSI { 624} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 10 and name HB1 )) 4.500 2.500 1.500 peak 624 weight 0.10000E+01 volume 0.40195E-03 ppm1 4.180 ppm2 2.832 CV 1 OR { 624} (( segid "A " and resid 3 and name HA )) (( segid "A " and resid 10 and name HB1 )) ASSI { 635} (( segid "B " and resid 15 and name HA )) (( segid "B " and resid 15 and name HG21)) 2.700 0.900 0.900 peak 635 weight 0.10000E+01 volume 0.13744E-02 ppm1 4.190 ppm2 0.867 CV 1 OR { 635} (( segid "A " and resid 8 and name HA )) (( segid "B " and resid 15 and name HG21)) ASSI { 636} (( segid "B " and resid 15 and name HA )) (( segid "B " and resid 15 and name HD11)) 3.700 1.700 1.700 peak 636 weight 0.10000E+01 volume 0.57053E-03 ppm1 4.204 ppm2 0.808 CV 1 OR { 636} (( segid "A " and resid 8 and name HA )) (( segid "B " and resid 15 and name HD11)) ASSI { 656} (( segid "A " and resid 4 and name HA )) (( segid "A " and resid 7 and name HB1 )) 3.100 1.200 1.200 peak 656 weight 0.10000E+01 volume 0.41492E-03 ppm1 4.029 ppm2 3.165 CV 1 OR { 656} (( segid "B " and resid 17 and name HA )) (( segid "B " and resid 20 and name HD2 )) ASSI { 657} (( segid "B " and resid 17 and name HA )) (( segid "B " and resid 20 and name HD2 )) 3.700 1.700 1.700 peak 657 weight 0.10000E+01 volume 0.44085E-03 ppm1 4.033 ppm2 3.198 CV 1 OR { 657} (( segid "B " and resid 17 and name HA )) (( segid "B " and resid 18 and name HB1 )) ASSI { 659} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 26 and name HB1 )) 3.000 1.100 1.100 peak 659 weight 0.10000E+01 volume 0.19839E-02 ppm1 4.560 ppm2 3.193 CV 1 OR { 659} (( segid "B " and resid 23 and name HA )) (( segid "B " and resid 23 and name HB1 )) OR { 659} (( segid "A " and resid 6 and name HA )) (( segid "A " and resid 9 and name HD1 )) ASSI { 660} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 26 and name HB2 )) 3.000 1.100 1.100 peak 660 weight 0.10000E+01 volume 0.11540E-02 ppm1 4.563 ppm2 3.072 CV 1 OR { 660} (( segid "B " and resid 23 and name HA )) (( segid "B " and resid 23 and name HB2 )) ASSI { 665} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 17 and name HG21)) 4.500 2.500 1.500 peak 665 weight 0.10000E+01 volume 0.37602E-03 ppm1 3.330 ppm2 0.835 CV 1 OR { 665} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 17 and name HD11)) OR { 665} (( segid "A " and resid 2 and name HB2 )) (( segid "B " and resid 15 and name HD11)) ASSI { 666} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 14 and name HD11)) 4.400 2.500 1.600 peak 666 weight 0.10000E+01 volume 0.51864E-03 ppm1 3.311 ppm2 0.920 CV 1 OR { 666} (( segid "A " and resid 2 and name HB2 )) ( segid "A " and resid 4 and name HG1%) ASSI { 667} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 17 and name HG21)) 4.200 2.200 1.800 peak 667 weight 0.10000E+01 volume 0.44085E-03 ppm1 3.311 ppm2 0.897 CV 1 OR { 667} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 14 and name HD11)) ASSI { 668} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 17 and name HG21)) 4.200 2.200 1.800 peak 668 weight 0.10000E+01 volume 0.44085E-03 ppm1 3.263 ppm2 0.903 CV 1 OR { 668} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 14 and name HD11)) OR { 668} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 17 and name HG21)) OR { 668} (( segid "A " and resid 2 and name HB2 )) ( segid "A " and resid 4 and name HG1%) ASSI { 671} (( segid "A " and resid 7 and name HB1 )) (( segid "B " and resid 15 and name HG21)) 3.300 1.400 1.400 peak 671 weight 0.10000E+01 volume 0.50568E-03 ppm1 3.091 ppm2 0.909 CV 1 OR { 671} (( segid "A " and resid 7 and name HB1 )) ( segid "A " and resid 4 and name HG1%) ASSI { 672} (( segid "A " and resid 3 and name HE1 )) (( segid "B " and resid 15 and name HG21)) 5.000 3.100 1.000 peak 672 weight 0.10000E+01 volume 0.45381E-03 ppm1 2.891 ppm2 0.857 CV 1 OR { 672} (( segid "A " and resid 10 and name HB1 )) (( segid "B " and resid 15 and name HG21)) ASSI { 676} (( segid "B " and resid 12 and name HE2 )) (( segid "B " and resid 12 and name HG2 )) 2.300 0.600 0.600 peak 676 weight 0.10000E+01 volume 0.56663E-02 ppm1 2.998 ppm2 1.393 CV 1 OR { 676} (( segid "A " and resid 8 and name HE2 )) (( segid "A " and resid 8 and name HG1 )) ASSI { 680} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 25 and name HG2 )) 3.300 1.400 1.400 peak 680 weight 0.10000E+01 volume 0.16078E-02 ppm1 3.170 ppm2 1.437 CV 1 OR { 680} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 24 and name HB1 )) OR { 680} (( segid "A " and resid 7 and name HB1 )) (( segid "B " and resid 12 and name HG2 )) ASSI { 682} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 34 and name HG2 )) 3.500 1.500 1.500 peak 682 weight 0.10000E+01 volume 0.12966E-02 ppm1 3.173 ppm2 1.312 CV 1 OR { 682} (( segid "A " and resid 11 and name HE )) (( segid "A " and resid 8 and name HG1 )) ASSI { 683} (( segid "A " and resid 7 and name HB1 )) (( segid "A " and resid 8 and name HG1 )) 3.800 1.800 1.800 peak 683 weight 0.10000E+01 volume 0.63536E-03 ppm1 3.148 ppm2 1.341 CV 1 OR { 683} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 31 and name HB1 )) OR { 683} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 34 and name HG2 )) OR { 683} (( segid "B " and resid 30 and name HD2 )) (( segid "B " and resid 31 and name HB1 )) ASSI { 684} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 31 and name HB1 )) 3.200 1.300 1.300 peak 684 weight 0.10000E+01 volume 0.16986E-02 ppm1 3.202 ppm2 1.392 CV 1 OR { 684} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 25 and name HG2 )) OR { 684} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 24 and name HB1 )) OR { 684} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 21 and name HG1 )) ASSI { 686} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 31 and name HB1 )) 3.500 1.500 1.500 peak 686 weight 0.10000E+01 volume 0.10114E-02 ppm1 3.206 ppm2 1.352 CV 1 OR { 686} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 21 and name HG1 )) OR { 686} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 34 and name HG2 )) ASSI { 687} (( segid "B " and resid 26 and name HB2 )) (( segid "B " and resid 25 and name HG2 )) 4.700 2.700 1.300 peak 687 weight 0.10000E+01 volume 0.47975E-03 ppm1 3.081 ppm2 1.456 CV 1 OR { 687} (( segid "B " and resid 23 and name HB2 )) (( segid "B " and resid 24 and name HB1 )) OR { 687} (( segid "B " and resid 23 and name HB2 )) (( segid "B " and resid 25 and name HG2 )) OR { 687} (( segid "A " and resid 7 and name HB1 )) (( segid "B " and resid 12 and name HG2 )) ASSI { 688} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 14 and name HB2 )) 2.000 0.500 0.500 peak 688 weight 0.10000E+01 volume 0.14380E-01 ppm1 3.192 ppm2 1.624 CV 1 OR { 688} (( segid "A " and resid 9 and name HD1 )) (( segid "A " and resid 9 and name HG1 )) OR { 688} (( segid "A " and resid 11 and name HD1 )) (( segid "A " and resid 11 and name HG1 )) OR { 688} (( segid "B " and resid 20 and name HD2 )) (( segid "B " and resid 20 and name HG1 )) OR { 688} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 32 and name HG1 )) OR { 688} (( segid "A " and resid 9 and name HD2 )) (( segid "A " and resid 9 and name HG1 )) ASSI { 689} (( segid "A " and resid 7 and name HB1 )) (( segid "A " and resid 8 and name HD1 )) 4.200 2.200 1.800 peak 689 weight 0.10000E+01 volume 0.10892E-02 ppm1 3.107 ppm2 1.654 CV 1 OR { 689} (( segid "B " and resid 23 and name HB2 )) (( segid "B " and resid 25 and name HD2 )) OR { 689} (( segid "B " and resid 26 and name HB2 )) (( segid "B " and resid 25 and name HD2 )) ASSI { 690} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 30 and name HG1 )) 4.200 2.200 1.800 peak 690 weight 0.10000E+01 volume 0.90765E-03 ppm1 3.191 ppm2 1.538 CV 1 OR { 690} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 33 and name HB1 )) OR { 690} (( segid "A " and resid 11 and name HE )) (( segid "A " and resid 3 and name HD1 )) ASSI { 691} (( segid "B " and resid 12 and name HE2 )) (( segid "A " and resid 3 and name HD1 )) 3.600 1.700 1.700 peak 691 weight 0.10000E+01 volume 0.71316E-03 ppm1 2.957 ppm2 1.566 CV 1 OR { 691} (( segid "A " and resid 8 and name HE2 )) (( segid "A " and resid 9 and name HG1 )) OR { 691} (( segid "A " and resid 7 and name HB2 )) (( segid "A " and resid 3 and name HD1 )) ASSI { 692} (( segid "B " and resid 12 and name HE2 )) (( segid "A " and resid 3 and name HD1 )) 3.000 1.200 1.200 peak 692 weight 0.10000E+01 volume 0.17505E-02 ppm1 2.995 ppm2 1.556 CV 1 OR { 692} (( segid "A " and resid 7 and name HB2 )) (( segid "A " and resid 3 and name HD1 )) ASSI { 693} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 21 and name HG1 )) 4.700 2.800 1.300 peak 693 weight 0.10000E+01 volume 0.58350E-03 ppm1 3.303 ppm2 1.404 CV 1 OR { 693} (( segid "A " and resid 2 and name HB2 )) (( segid "B " and resid 12 and name HG2 )) ASSI { 707} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 24 and name HB1 )) 3.700 1.700 1.700 peak 707 weight 0.10000E+01 volume 0.79096E-03 ppm1 2.404 ppm2 1.386 CV 1 OR { 707} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 31 and name HB1 )) ASSI { 713} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 25 and name HD2 )) 4.000 2.000 2.000 peak 713 weight 0.10000E+01 volume 0.82986E-03 ppm1 2.422 ppm2 1.652 CV 1 OR { 713} (( segid "A " and resid 1 and name HG2 )) (( segid "B " and resid 14 and name HG )) OR { 713} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 32 and name HG1 )) OR { 713} (( segid "A " and resid 1 and name HG2 )) (( segid "A " and resid 8 and name HD1 )) ASSI { 714} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 25 and name HD2 )) 3.900 1.900 1.900 peak 714 weight 0.10000E+01 volume 0.89469E-03 ppm1 2.360 ppm2 1.659 CV 1 OR { 714} (( segid "A " and resid 1 and name HG2 )) (( segid "B " and resid 14 and name HG )) OR { 714} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 32 and name HG1 )) OR { 714} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 32 and name HG1 )) OR { 714} (( segid "A " and resid 1 and name HG2 )) (( segid "A " and resid 8 and name HD1 )) ASSI { 715} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 25 and name HD2 )) 4.000 2.000 2.000 peak 715 weight 0.10000E+01 volume 0.82986E-03 ppm1 2.365 ppm2 1.621 CV 1 OR { 715} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 30 and name HG1 )) OR { 715} (( segid "A " and resid 1 and name HG2 )) (( segid "B " and resid 14 and name HG )) OR { 715} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 30 and name HG1 )) OR { 715} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 32 and name HG1 )) OR { 715} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 32 and name HG1 )) OR { 715} (( segid "A " and resid 1 and name HG2 )) (( segid "A " and resid 8 and name HD1 )) ASSI { 720} (( segid "B " and resid 27 and name HG2 )) (( segid "B " and resid 30 and name HB1 )) 3.900 1.900 1.900 peak 720 weight 0.10000E+01 volume 0.72613E-03 ppm1 2.284 ppm2 1.757 CV 1 OR { 720} (( segid "B " and resid 27 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) OR { 720} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) OR { 720} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 30 and name HB1 )) ASSI { 721} (( segid "B " and resid 22 and name HG1 )) (( segid "A " and resid 8 and name HB1 )) 3.000 1.100 1.100 peak 721 weight 0.10000E+01 volume 0.79096E-03 ppm1 2.277 ppm2 1.825 CV 1 OR { 721} (( segid "B " and resid 27 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) ASSI { 722} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 32 and name HB2 )) 3.800 1.800 1.800 peak 722 weight 0.10000E+01 volume 0.71316E-03 ppm1 2.288 ppm2 1.811 CV 1 OR { 722} (( segid "B " and resid 27 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) OR { 722} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) ASSI { 725} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) 4.000 2.000 2.000 peak 725 weight 0.10000E+01 volume 0.75206E-03 ppm1 2.371 ppm2 1.822 CV 1 OR { 725} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 32 and name HB1 )) OR { 725} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 30 and name HB2 )) OR { 725} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) OR { 725} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 32 and name HB1 )) ASSI { 726} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 32 and name HB2 )) 4.000 2.000 2.000 peak 726 weight 0.10000E+01 volume 0.70019E-03 ppm1 2.403 ppm2 1.813 CV 1 OR { 726} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 30 and name HB2 )) OR { 726} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) OR { 726} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 32 and name HB1 )) ASSI { 727} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 30 and name HB1 )) 4.100 2.100 1.900 peak 727 weight 0.10000E+01 volume 0.73909E-03 ppm1 2.412 ppm2 1.768 CV 1 OR { 727} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 32 and name HB2 )) OR { 727} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 30 and name HB2 )) OR { 727} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 30 and name HB1 )) OR { 727} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) ASSI { 728} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 32 and name HB2 )) 3.900 1.900 1.900 peak 728 weight 0.10000E+01 volume 0.88172E-03 ppm1 2.357 ppm2 1.770 CV 1 OR { 728} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) OR { 728} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 30 and name HB1 )) OR { 728} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 32 and name HB2 )) OR { 728} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 30 and name HB1 )) OR { 728} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 30 and name HB2 )) ASSI { 737} (( segid "B " and resid 19 and name HB2 )) (( segid "A " and resid 11 and name HG1 )) 4.200 2.200 1.800 peak 737 weight 0.10000E+01 volume 0.54460E-03 ppm1 2.762 ppm2 1.673 CV 1 OR { 737} (( segid "B " and resid 19 and name HB2 )) (( segid "B " and resid 20 and name HG1 )) OR { 737} (( segid "A " and resid 10 and name HB2 )) (( segid "A " and resid 11 and name HG1 )) ASSI { 738} (( segid "A " and resid 10 and name HB2 )) (( segid "A " and resid 9 and name HG1 )) 3.900 1.900 1.900 peak 738 weight 0.10000E+01 volume 0.53161E-03 ppm1 2.785 ppm2 1.645 CV 1 OR { 738} (( segid "B " and resid 19 and name HB2 )) (( segid "A " and resid 11 and name HG1 )) ASSI { 740} (( segid "B " and resid 19 and name HB1 )) (( segid "A " and resid 11 and name HG1 )) 3.900 1.900 1.900 peak 740 weight 0.10000E+01 volume 0.49271E-03 ppm1 2.715 ppm2 1.641 CV 1 OR { 740} (( segid "B " and resid 19 and name HB1 )) (( segid "B " and resid 20 and name HG1 )) ASSI { 748} (( segid "B " and resid 22 and name HG1 )) (( segid "B " and resid 22 and name HB2 )) 3.100 1.200 1.200 peak 748 weight 0.10000E+01 volume 0.93358E-03 ppm1 2.208 ppm2 1.934 CV 1 OR { 748} (( segid "B " and resid 22 and name HG2 )) (( segid "B " and resid 22 and name HB2 )) OR { 748} (( segid "B " and resid 27 and name HG2 )) (( segid "B " and resid 27 and name HB1 )) ASSI { 750} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 28 and name HB1 )) 3.100 1.200 1.200 peak 750 weight 0.10000E+01 volume 0.22432E-02 ppm1 2.366 ppm2 2.102 CV 1 OR { 750} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 29 and name HB2 )) OR { 750} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 28 and name HB1 )) ASSI { 751} (( segid "A " and resid 1 and name HG2 )) (( segid "A " and resid 1 and name HE1 )) 3.400 1.500 1.500 peak 751 weight 0.10000E+01 volume 0.19579E-02 ppm1 2.423 ppm2 2.087 CV 1 OR { 751} (( segid "A " and resid 1 and name HG2 )) (( segid "A " and resid 4 and name HB )) ASSI { 755} (( segid "A " and resid 8 and name HD1 )) ( segid "A " and resid 4 and name HG2%) 3.200 1.300 1.300 peak 755 weight 0.10000E+01 volume 0.26841E-02 ppm1 1.694 ppm2 0.977 CV 1 OR { 755} (( segid "A " and resid 8 and name HD1 )) ( segid "A " and resid 4 and name HG1%) OR { 755} (( segid "A " and resid 3 and name HB2 )) ( segid "A " and resid 4 and name HG2%) ASSI { 756} (( segid "A " and resid 8 and name HD1 )) ( segid "A " and resid 4 and name HG2%) 3.100 1.200 1.200 peak 756 weight 0.10000E+01 volume 0.30731E-02 ppm1 1.693 ppm2 0.944 CV 1 OR { 756} (( segid "B " and resid 12 and name HD2 )) (( segid "B " and resid 13 and name HD11)) OR { 756} (( segid "A " and resid 8 and name HD1 )) ( segid "A " and resid 4 and name HG1%) ASSI { 758} (( segid "B " and resid 14 and name HB2 )) (( segid "B " and resid 14 and name HD11)) 2.300 0.700 0.700 peak 758 weight 0.10000E+01 volume 0.65998E-02 ppm1 1.619 ppm2 0.955 CV 1 OR { 758} (( segid "B " and resid 14 and name HG )) (( segid "B " and resid 14 and name HD21)) OR { 758} (( segid "B " and resid 14 and name HG )) (( segid "B " and resid 14 and name HD11)) OR { 758} (( segid "B " and resid 13 and name HG )) (( segid "B " and resid 13 and name HD11)) OR { 758} (( segid "B " and resid 13 and name HB2 )) (( segid "B " and resid 13 and name HD11)) OR { 758} (( segid "B " and resid 14 and name HB2 )) (( segid "B " and resid 14 and name HD21)) ASSI { 759} (( segid "B " and resid 14 and name HB2 )) (( segid "B " and resid 14 and name HD11)) 2.300 0.700 0.700 peak 759 weight 0.10000E+01 volume 0.59127E-02 ppm1 1.619 ppm2 0.917 CV 1 OR { 759} (( segid "B " and resid 14 and name HG )) (( segid "B " and resid 14 and name HD21)) OR { 759} (( segid "B " and resid 14 and name HG )) (( segid "B " and resid 14 and name HD11)) OR { 759} (( segid "B " and resid 13 and name HG )) (( segid "B " and resid 13 and name HD11)) OR { 759} (( segid "B " and resid 14 and name HB2 )) (( segid "B " and resid 14 and name HD21)) ASSI { 761} (( segid "B " and resid 15 and name HB )) (( segid "B " and resid 15 and name HG21)) 2.800 1.000 1.000 peak 761 weight 0.10000E+01 volume 0.32805E-02 ppm1 1.828 ppm2 0.865 CV 1 OR { 761} (( segid "B " and resid 17 and name HB )) (( segid "B " and resid 17 and name HG21)) ASSI { 762} (( segid "A " and resid 1 and name HB2 )) ( segid "A " and resid 4 and name HG1%) 2.500 0.800 0.800 peak 762 weight 0.10000E+01 volume 0.24506E-02 ppm1 1.880 ppm2 0.908 CV 1 OR { 762} (( segid "B " and resid 17 and name HB )) (( segid "B " and resid 17 and name HG21)) ASSI { 764} (( segid "A " and resid 8 and name HB1 )) ( segid "A " and resid 4 and name HG2%) 4.100 2.100 1.900 peak 764 weight 0.10000E+01 volume 0.97248E-03 ppm1 1.804 ppm2 0.944 CV 1 OR { 764} (( segid "A " and resid 8 and name HB1 )) ( segid "A " and resid 4 and name HG1%) OR { 764} (( segid "B " and resid 15 and name HB )) ( segid "A " and resid 4 and name HG2%) ASSI { 765} (( segid "B " and resid 21 and name HD2 )) (( segid "B " and resid 17 and name HG21)) 3.200 1.300 1.300 peak 765 weight 0.10000E+01 volume 0.13355E-02 ppm1 1.698 ppm2 0.912 CV 1 OR { 765} (( segid "B " and resid 12 and name HD2 )) (( segid "B " and resid 13 and name HD11)) OR { 765} (( segid "A " and resid 8 and name HD1 )) ( segid "A " and resid 4 and name HG1%) OR { 765} (( segid "A " and resid 3 and name HB2 )) ( segid "A " and resid 4 and name HG1%) ASSI { 766} (( segid "B " and resid 21 and name HD2 )) (( segid "B " and resid 17 and name HG21)) 3.300 1.400 1.400 peak 766 weight 0.10000E+01 volume 0.11151E-02 ppm1 1.726 ppm2 0.899 CV 1 OR { 766} (( segid "B " and resid 12 and name HD2 )) (( segid "B " and resid 13 and name HD11)) ASSI { 767} (( segid "B " and resid 21 and name HD2 )) (( segid "B " and resid 17 and name HG21)) 3.200 1.300 1.300 peak 767 weight 0.10000E+01 volume 0.15171E-02 ppm1 1.694 ppm2 0.869 CV 1 OR { 767} (( segid "B " and resid 12 and name HD2 )) (( segid "B " and resid 13 and name HD11)) OR { 767} (( segid "A " and resid 11 and name HG1 )) (( segid "B " and resid 15 and name HG21)) ASSI { 768} (( segid "B " and resid 21 and name HD2 )) (( segid "B " and resid 17 and name HG21)) 3.200 1.300 1.300 peak 768 weight 0.10000E+01 volume 0.10762E-02 ppm1 1.712 ppm2 0.831 CV 1 OR { 768} (( segid "B " and resid 21 and name HD2 )) (( segid "B " and resid 17 and name HD11)) OR { 768} (( segid "B " and resid 20 and name HG1 )) (( segid "B " and resid 17 and name HD11)) OR { 768} (( segid "A " and resid 3 and name HB2 )) (( segid "B " and resid 15 and name HD11)) OR { 768} (( segid "A " and resid 3 and name HB2 )) (( segid "B " and resid 15 and name HG21)) ASSI { 769} (( segid "B " and resid 14 and name HG )) (( segid "B " and resid 15 and name HD11)) 3.600 1.600 1.600 peak 769 weight 0.10000E+01 volume 0.18023E-02 ppm1 1.625 ppm2 0.845 CV 1 OR { 769} (( segid "B " and resid 14 and name HG )) (( segid "B " and resid 15 and name HG21)) OR { 769} (( segid "B " and resid 14 and name HB2 )) (( segid "B " and resid 15 and name HD11)) OR { 769} (( segid "A " and resid 11 and name HG1 )) (( segid "B " and resid 15 and name HG21)) ASSI { 771} (( segid "B " and resid 12 and name HG2 )) (( segid "B " and resid 13 and name HD11)) 2.600 0.800 0.800 peak 771 weight 0.10000E+01 volume 0.21654E-02 ppm1 1.392 ppm2 0.862 CV 1 OR { 771} (( segid "B " and resid 21 and name HG1 )) (( segid "B " and resid 17 and name HG21)) OR { 771} (( segid "A " and resid 8 and name HG1 )) (( segid "B " and resid 15 and name HG21)) ASSI { 772} (( segid "B " and resid 21 and name HG1 )) (( segid "B " and resid 17 and name HG21)) 2.900 1.100 1.100 peak 772 weight 0.10000E+01 volume 0.19968E-02 ppm1 1.399 ppm2 0.839 CV 1 OR { 772} (( segid "B " and resid 21 and name HG1 )) (( segid "B " and resid 17 and name HD11)) OR { 772} (( segid "A " and resid 8 and name HG1 )) (( segid "B " and resid 15 and name HD11)) OR { 772} (( segid "B " and resid 12 and name HG2 )) (( segid "B " and resid 15 and name HD11)) ASSI { 777} (( segid "B " and resid 12 and name HG2 )) (( segid "B " and resid 13 and name HD11)) 2.900 1.000 1.000 peak 777 weight 0.10000E+01 volume 0.12059E-02 ppm1 1.442 ppm2 0.955 CV 1 OR { 777} (( segid "B " and resid 12 and name HG2 )) (( segid "B " and resid 14 and name HD21)) ASSI { 779} (( segid "B " and resid 21 and name HG1 )) (( segid "B " and resid 17 and name HD11)) 3.200 1.300 1.300 peak 779 weight 0.10000E+01 volume 0.68723E-03 ppm1 1.414 ppm2 0.796 CV 1 OR { 779} (( segid "B " and resid 12 and name HG2 )) (( segid "B " and resid 15 and name HD11)) ASSI { 784} ( segid "B " and resid 15 and name HG1%) (( segid "B " and resid 15 and name HD11)) 2.700 0.900 0.900 peak 784 weight 0.10000E+01 volume 0.18801E-02 ppm1 1.143 ppm2 0.842 CV 1 OR { 784} ( segid "B " and resid 15 and name HG1%) (( segid "B " and resid 15 and name HG21)) OR { 784} ( segid "B " and resid 17 and name HG1%) (( segid "B " and resid 17 and name HG21)) ASSI { 785} ( segid "B " and resid 15 and name HG1%) (( segid "B " and resid 15 and name HG21)) 2.800 1.000 1.000 peak 785 weight 0.10000E+01 volume 0.23599E-02 ppm1 1.148 ppm2 0.864 CV 1 OR { 785} ( segid "B " and resid 17 and name HG1%) (( segid "B " and resid 17 and name HG21)) ASSI { 789} (( segid "B " and resid 17 and name HB )) ( segid "B " and resid 17 and name HG1%) 2.900 1.100 1.100 peak 789 weight 0.10000E+01 volume 0.10632E-02 ppm1 1.823 ppm2 1.142 CV 1 OR { 789} (( segid "B " and resid 15 and name HB )) ( segid "B " and resid 15 and name HG1%) ASSI { 793} (( segid "B " and resid 21 and name HD2 )) (( segid "B " and resid 21 and name HG1 )) 2.100 0.500 0.500 peak 793 weight 0.10000E+01 volume 0.11190E-01 ppm1 1.686 ppm2 1.356 CV 1 OR { 793} (( segid "A " and resid 8 and name HD1 )) (( segid "A " and resid 8 and name HG1 )) OR { 793} (( segid "B " and resid 34 and name HB2 )) (( segid "B " and resid 34 and name HG2 )) ASSI { 794} (( segid "B " and resid 21 and name HD2 )) (( segid "B " and resid 21 and name HG1 )) 2.000 0.500 0.500 peak 794 weight 0.10000E+01 volume 0.14535E-01 ppm1 1.686 ppm2 1.394 CV 1 OR { 794} (( segid "A " and resid 8 and name HD1 )) (( segid "A " and resid 8 and name HG1 )) OR { 794} (( segid "B " and resid 12 and name HD2 )) (( segid "B " and resid 12 and name HG2 )) ASSI { 795} (( segid "A " and resid 8 and name HB1 )) (( segid "A " and resid 8 and name HG1 )) 2.300 0.600 0.600 peak 795 weight 0.10000E+01 volume 0.68204E-02 ppm1 1.801 ppm2 1.395 CV 1 OR { 795} (( segid "B " and resid 25 and name HB1 )) (( segid "B " and resid 25 and name HG2 )) OR { 795} (( segid "B " and resid 21 and name HB2 )) (( segid "B " and resid 21 and name HG1 )) ASSI { 796} (( segid "A " and resid 8 and name HB1 )) (( segid "A " and resid 8 and name HG1 )) 2.300 0.600 0.600 peak 796 weight 0.10000E+01 volume 0.61591E-02 ppm1 1.797 ppm2 1.348 CV 1 OR { 796} (( segid "B " and resid 21 and name HB2 )) (( segid "B " and resid 21 and name HG1 )) ASSI { 803} (( segid "A " and resid 4 and name HB )) (( segid "A " and resid 8 and name HG1 )) 4.100 2.100 1.900 peak 803 weight 0.10000E+01 volume 0.98545E-03 ppm1 2.093 ppm2 1.400 CV 1 OR { 803} (( segid "A " and resid 4 and name HB )) (( segid "B " and resid 12 and name HG2 )) ASSI { 804} (( segid "B " and resid 27 and name HB2 )) (( segid "B " and resid 24 and name HB1 )) 3.500 1.600 1.600 peak 804 weight 0.10000E+01 volume 0.72613E-03 ppm1 1.996 ppm2 1.396 CV 1 OR { 804} (( segid "B " and resid 22 and name HB2 )) (( segid "A " and resid 8 and name HG1 )) ASSI { 805} (( segid "A " and resid 4 and name HB )) (( segid "B " and resid 14 and name HG )) 3.500 1.500 1.500 peak 805 weight 0.10000E+01 volume 0.15041E-02 ppm1 2.084 ppm2 1.666 CV 1 OR { 805} (( segid "A " and resid 4 and name HB )) (( segid "A " and resid 3 and name HB2 )) OR { 805} (( segid "A " and resid 4 and name HB )) (( segid "A " and resid 8 and name HD1 )) OR { 805} (( segid "A " and resid 1 and name HE1 )) (( segid "B " and resid 14 and name HG )) OR { 805} (( segid "B " and resid 28 and name HB1 )) (( segid "B " and resid 32 and name HG1 )) ASSI { 806} (( segid "B " and resid 29 and name HB2 )) (( segid "B " and resid 30 and name HB1 )) 3.800 1.800 1.800 peak 806 weight 0.10000E+01 volume 0.10114E-02 ppm1 2.092 ppm2 1.712 CV 1 OR { 806} (( segid "A " and resid 4 and name HB )) (( segid "A " and resid 3 and name HB2 )) OR { 806} (( segid "A " and resid 4 and name HB )) (( segid "A " and resid 8 and name HD1 )) ASSI { 807} (( segid "B " and resid 29 and name HB2 )) (( segid "B " and resid 30 and name HB2 )) 3.800 1.800 1.800 peak 807 weight 0.10000E+01 volume 0.73909E-03 ppm1 2.106 ppm2 1.763 CV 1 OR { 807} (( segid "A " and resid 4 and name HB )) (( segid "A " and resid 8 and name HB1 )) OR { 807} (( segid "B " and resid 29 and name HB2 )) (( segid "B " and resid 30 and name HB1 )) OR { 807} (( segid "B " and resid 28 and name HB1 )) (( segid "B " and resid 32 and name HB2 )) OR { 807} (( segid "B " and resid 29 and name HB2 )) (( segid "B " and resid 32 and name HB2 )) ASSI { 809} (( segid "A " and resid 4 and name HB )) (( segid "A " and resid 1 and name HB2 )) 2.800 1.000 1.000 peak 809 weight 0.10000E+01 volume 0.10892E-02 ppm1 2.086 ppm2 1.886 CV 1 OR { 809} (( segid "A " and resid 1 and name HE1 )) (( segid "A " and resid 1 and name HB2 )) ASSI { 812} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 27 and name HB2 )) 3.300 1.400 1.400 peak 812 weight 0.10000E+01 volume 0.71316E-03 ppm1 2.427 ppm2 2.008 CV 1 OR { 812} (( segid "A " and resid 1 and name HG2 )) (( segid "A " and resid 1 and name HE1 )) ASSI { 813} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 22 and name HG1 )) 3.700 1.700 1.700 peak 813 weight 0.10000E+01 volume 0.92062E-03 ppm1 3.199 ppm2 2.278 CV 1 OR { 813} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 27 and name HG2 )) OR { 813} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 27 and name HG2 )) ASSI { 814} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 22 and name HG1 )) 3.800 1.800 1.800 peak 814 weight 0.10000E+01 volume 0.71316E-03 ppm1 3.190 ppm2 2.206 CV 1 OR { 814} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 27 and name HG2 )) OR { 814} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 27 and name HG2 )) OR { 814} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 22 and name HG2 )) ASSI { 815} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 27 and name HG1 )) 4.000 2.000 2.000 peak 815 weight 0.10000E+01 volume 0.79096E-03 ppm1 3.171 ppm2 2.355 CV 1 OR { 815} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 29 and name HG2 )) OR { 815} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 28 and name HG2 )) ASSI { 819} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 27 and name HG1 )) 3.900 1.900 1.900 peak 819 weight 0.10000E+01 volume 0.76503E-03 ppm1 3.209 ppm2 2.422 CV 1 OR { 819} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 28 and name HG2 )) OR { 819} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 27 and name HG1 )) ASSI { 821} (( segid "B " and resid 26 and name HB2 )) (( segid "B " and resid 28 and name HG2 )) 4.400 2.400 1.600 peak 821 weight 0.10000E+01 volume 0.57053E-03 ppm1 3.114 ppm2 2.411 CV 1 OR { 821} (( segid "B " and resid 23 and name HB2 )) (( segid "B " and resid 27 and name HG1 )) OR { 821} (( segid "B " and resid 26 and name HB2 )) (( segid "B " and resid 27 and name HG1 )) ASSI { 825} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 29 and name HB2 )) 3.700 1.700 1.700 peak 825 weight 0.10000E+01 volume 0.99842E-03 ppm1 3.178 ppm2 2.082 CV 1 OR { 825} (( segid "A " and resid 11 and name HE )) (( segid "A " and resid 4 and name HB )) ASSI { 826} (( segid "B " and resid 26 and name HB2 )) (( segid "B " and resid 29 and name HB2 )) 3.700 1.700 1.700 peak 826 weight 0.10000E+01 volume 0.77799E-03 ppm1 3.111 ppm2 2.083 CV 1 OR { 826} (( segid "A " and resid 7 and name HB1 )) (( segid "A " and resid 4 and name HB )) ASSI { 827} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 29 and name HB2 )) 3.800 1.800 1.800 peak 827 weight 0.10000E+01 volume 0.11151E-02 ppm1 3.179 ppm2 2.050 CV 1 OR { 827} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 27 and name HB2 )) OR { 827} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 27 and name HB2 )) ASSI { 828} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 22 and name HB2 )) 4.100 2.100 1.900 peak 828 weight 0.10000E+01 volume 0.59647E-03 ppm1 3.210 ppm2 2.001 CV 1 OR { 828} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 27 and name HB2 )) OR { 828} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 22 and name HB2 )) OR { 828} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 27 and name HB2 )) ASSI { 829} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 22 and name HB2 )) 4.200 2.200 1.800 peak 829 weight 0.10000E+01 volume 0.57053E-03 ppm1 3.180 ppm2 1.995 CV 1 OR { 829} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 27 and name HB2 )) OR { 829} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 22 and name HB2 )) OR { 829} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 27 and name HB2 )) OR { 829} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 27 and name HB1 )) OR { 829} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 27 and name HB1 )) ASSI { 830} (( segid "B " and resid 26 and name HB2 )) (( segid "B " and resid 29 and name HB2 )) 3.800 1.800 1.800 peak 830 weight 0.10000E+01 volume 0.80392E-03 ppm1 3.136 ppm2 2.051 CV 1 OR { 830} (( segid "A " and resid 7 and name HB1 )) (( segid "A " and resid 4 and name HB )) OR { 830} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 29 and name HB2 )) OR { 830} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 27 and name HB2 )) ASSI { 839} (( segid "B " and resid 12 and name HE2 )) (( segid "B " and resid 12 and name HB2 )) 4.300 2.300 1.700 peak 839 weight 0.10000E+01 volume 0.60943E-03 ppm1 2.960 ppm2 1.947 CV 1 OR { 839} (( segid "A " and resid 8 and name HE2 )) (( segid "B " and resid 22 and name HB2 )) ASSI { 842} (( segid "A " and resid 8 and name HE2 )) (( segid "A " and resid 9 and name HB1 )) 4.300 2.400 1.700 peak 842 weight 0.10000E+01 volume 0.59647E-03 ppm1 2.961 ppm2 1.868 CV 1 OR { 842} (( segid "B " and resid 12 and name HE2 )) (( segid "B " and resid 12 and name HB2 )) ASSI { 843} (( segid "A " and resid 8 and name HE2 )) (( segid "A " and resid 9 and name HB1 )) 3.200 1.300 1.300 peak 843 weight 0.10000E+01 volume 0.32415E-02 ppm1 2.998 ppm2 1.800 CV 1 OR { 843} (( segid "A " and resid 8 and name HE2 )) (( segid "A " and resid 8 and name HB1 )) ASSI { 844} (( segid "A " and resid 11 and name HE )) (( segid "A " and resid 11 and name HB2 )) 2.400 0.700 0.700 peak 844 weight 0.10000E+01 volume 0.49271E-02 ppm1 3.191 ppm2 1.839 CV 1 OR { 844} (( segid "A " and resid 9 and name HD2 )) (( segid "A " and resid 9 and name HB1 )) OR { 844} (( segid "A " and resid 11 and name HD1 )) (( segid "A " and resid 11 and name HB2 )) OR { 844} (( segid "A " and resid 9 and name HD1 )) (( segid "A " and resid 9 and name HB1 )) OR { 844} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 32 and name HB1 )) ASSI { 845} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 32 and name HB2 )) 2.300 0.700 0.700 peak 845 weight 0.10000E+01 volume 0.57183E-02 ppm1 3.194 ppm2 1.761 CV 1 OR { 845} (( segid "A " and resid 9 and name HD1 )) (( segid "A " and resid 9 and name HB2 )) OR { 845} (( segid "A " and resid 9 and name HD2 )) (( segid "A " and resid 9 and name HB2 )) ASSI { 846} (( segid "A " and resid 8 and name HE2 )) (( segid "A " and resid 8 and name HD1 )) 1.700 0.400 0.500 peak 846 weight 0.10000E+01 volume 0.21135E-01 ppm1 2.995 ppm2 1.689 CV 1 OR { 846} (( segid "B " and resid 12 and name HE2 )) (( segid "B " and resid 12 and name HD2 )) OR { 846} (( segid "A " and resid 8 and name HE2 )) (( segid "A " and resid 9 and name HB2 )) ASSI { 847} (( segid "A " and resid 8 and name HE2 )) (( segid "A " and resid 8 and name HD1 )) 2.200 0.600 0.600 peak 847 weight 0.10000E+01 volume 0.73648E-02 ppm1 2.958 ppm2 1.656 CV 1 OR { 847} (( segid "A " and resid 8 and name HE2 )) (( segid "A " and resid 9 and name HG1 )) ASSI { 849} (( segid "A " and resid 2 and name HB2 )) (( segid "A " and resid 3 and name HB2 )) 4.700 2.700 1.300 peak 849 weight 0.10000E+01 volume 0.58350E-03 ppm1 3.301 ppm2 1.746 CV 1 OR { 849} (( segid "B " and resid 35 and name HB2 )) (( segid "B " and resid 34 and name HB2 )) ASSI { 852} (( segid "B " and resid 18 and name HB1 )) ( segid "B " and resid 15 and name HG1%) 4.800 2.900 1.200 peak 852 weight 0.10000E+01 volume 0.50568E-03 ppm1 3.259 ppm2 1.146 CV 1 OR { 852} (( segid "B " and resid 18 and name HB1 )) ( segid "B " and resid 17 and name HG1%) OR { 852} (( segid "A " and resid 2 and name HB2 )) ( segid "B " and resid 15 and name HG1%) OR { 852} (( segid "B " and resid 18 and name HB2 )) ( segid "B " and resid 17 and name HG1%) ASSI { 857} (( segid "B " and resid 15 and name HB )) (( segid "A " and resid 3 and name HG2 )) 4.800 2.800 1.200 peak 857 weight 0.10000E+01 volume 0.51864E-03 ppm1 1.802 ppm2 1.091 CV 1 OR { 857} (( segid "A " and resid 8 and name HB1 )) (( segid "A " and resid 3 and name HG2 )) ASSI { 858} (( segid "B " and resid 12 and name HD2 )) ( segid "B " and resid 15 and name HG1%) 4.000 2.000 2.000 peak 858 weight 0.10000E+01 volume 0.10243E-02 ppm1 1.693 ppm2 1.205 CV 1 OR { 858} (( segid "B " and resid 20 and name HG1 )) ( segid "B " and resid 17 and name HG1%) OR { 858} (( segid "A " and resid 3 and name HB2 )) ( segid "B " and resid 15 and name HG1%) ASSI { 860} (( segid "A " and resid 8 and name HG1 )) (( segid "A " and resid 3 and name HG2 )) 4.600 2.700 1.400 peak 860 weight 0.10000E+01 volume 0.77799E-03 ppm1 1.388 ppm2 1.092 CV 1 OR { 860} (( segid "B " and resid 12 and name HG2 )) (( segid "A " and resid 3 and name HG2 )) ASSI { 872} (( segid "B " and resid 17 and name HA )) (( segid "B " and resid 17 and name HD11)) 3.400 1.500 1.500 peak 872 weight 0.10000E+01 volume 0.53161E-03 ppm1 4.042 ppm2 0.788 CV 1 OR { 872} (( segid "A " and resid 4 and name HA )) (( segid "B " and resid 15 and name HD11)) ASSI { 873} (( segid "B " and resid 22 and name HG1 )) (( segid "B " and resid 15 and name HG21)) 2.700 2.700 3.300 peak 873 weight 0.10000E+01 volume 0.55757E-03 ppm1 2.269 ppm2 0.878 CV 1 OR { 873} (( segid "B " and resid 22 and name HG1 )) (( segid "B " and resid 17 and name HG21)) ASSI { 883} (( segid "B " and resid 17 and name HB )) (( segid "B " and resid 17 and name HG21)) 3.400 1.400 1.400 peak 883 weight 0.10000E+01 volume 0.11410E-02 ppm1 1.871 ppm2 0.835 CV 1 OR { 883} (( segid "B " and resid 20 and name HB2 )) (( segid "B " and resid 17 and name HD11)) OR { 883} (( segid "B " and resid 17 and name HB )) (( segid "B " and resid 17 and name HD11)) ASSI { 884} (( segid "B " and resid 17 and name HB )) (( segid "B " and resid 17 and name HD11)) 3.900 1.900 1.900 peak 884 weight 0.10000E+01 volume 0.75206E-03 ppm1 1.827 ppm2 0.804 CV 1 OR { 884} (( segid "B " and resid 15 and name HB )) (( segid "B " and resid 15 and name HD11)) ASSI { 885} (( segid "A " and resid 8 and name HB1 )) (( segid "B " and resid 15 and name HD11)) 4.300 2.300 1.700 peak 885 weight 0.10000E+01 volume 0.38898E-03 ppm1 1.772 ppm2 0.818 CV 1 OR { 885} (( segid "B " and resid 15 and name HB )) (( segid "B " and resid 15 and name HD11)) ASSI { 887} (( segid "B " and resid 14 and name HG )) (( segid "B " and resid 15 and name HD11)) 4.100 2.100 1.900 peak 887 weight 0.10000E+01 volume 0.71316E-03 ppm1 1.621 ppm2 0.806 CV 1 OR { 887} (( segid "B " and resid 20 and name HG1 )) (( segid "B " and resid 17 and name HD11)) ASSI { 888} (( segid "B " and resid 21 and name HD2 )) (( segid "B " and resid 17 and name HD11)) 3.700 1.700 1.700 peak 888 weight 0.10000E+01 volume 0.60943E-03 ppm1 1.727 ppm2 0.806 CV 1 OR { 888} (( segid "A " and resid 3 and name HB2 )) (( segid "B " and resid 15 and name HD11)) OR { 888} (( segid "B " and resid 12 and name HD2 )) (( segid "B " and resid 15 and name HD11)) ASSI { 894} (( segid "A " and resid 8 and name HD1 )) (( segid "A " and resid 8 and name HG1 )) 2.400 0.700 0.700 peak 894 weight 0.10000E+01 volume 0.31248E-02 ppm1 1.641 ppm2 1.307 CV 1 OR { 894} (( segid "B " and resid 34 and name HD1 )) (( segid "B " and resid 34 and name HG2 )) ASSI { 900} (( segid "A " and resid 3 and name HD1 )) (( segid "B " and resid 12 and name HG2 )) 3.600 1.600 1.600 peak 900 weight 0.10000E+01 volume 0.18542E-02 ppm1 1.558 ppm2 1.413 CV 1 OR { 900} (( segid "B " and resid 30 and name HG1 )) (( segid "B " and resid 31 and name HB1 )) OR { 900} (( segid "B " and resid 13 and name HG )) (( segid "B " and resid 12 and name HG2 )) ASSI { 901} (( segid "B " and resid 14 and name HG )) (( segid "B " and resid 12 and name HG2 )) 3.700 1.700 1.700 peak 901 weight 0.10000E+01 volume 0.10243E-02 ppm1 1.627 ppm2 1.463 CV 1 OR { 901} (( segid "B " and resid 13 and name HG )) (( segid "B " and resid 12 and name HG2 )) OR { 901} (( segid "B " and resid 13 and name HB2 )) (( segid "B " and resid 12 and name HG2 )) OR { 901} (( segid "B " and resid 32 and name HG1 )) (( segid "B " and resid 33 and name HB1 )) OR { 901} (( segid "B " and resid 25 and name HD2 )) (( segid "B " and resid 24 and name HB1 )) ASSI { 904} (( segid "B " and resid 32 and name HB1 )) (( segid "B " and resid 32 and name HG1 )) 2.200 0.600 0.600 peak 904 weight 0.10000E+01 volume 0.11034E-01 ppm1 1.839 ppm2 1.647 CV 1 OR { 904} (( segid "A " and resid 11 and name HB2 )) (( segid "A " and resid 11 and name HG1 )) OR { 904} (( segid "A " and resid 9 and name HB1 )) (( segid "A " and resid 9 and name HG1 )) OR { 904} (( segid "B " and resid 21 and name HB2 )) (( segid "B " and resid 21 and name HD2 )) ASSI { 905} (( segid "B " and resid 34 and name HB2 )) (( segid "B " and resid 34 and name HD1 )) 2.000 0.500 0.500 peak 905 weight 0.10000E+01 volume 0.14068E-01 ppm1 1.756 ppm2 1.631 CV 1 OR { 905} (( segid "A " and resid 9 and name HB2 )) (( segid "A " and resid 9 and name HG1 )) OR { 905} (( segid "B " and resid 32 and name HB2 )) (( segid "B " and resid 32 and name HG1 )) OR { 905} (( segid "B " and resid 25 and name HB1 )) (( segid "B " and resid 25 and name HD2 )) ASSI { 908} (( segid "B " and resid 27 and name HB2 )) (( segid "B " and resid 25 and name HD2 )) 4.000 2.000 2.000 peak 908 weight 0.10000E+01 volume 0.49271E-03 ppm1 1.999 ppm2 1.661 CV 1 OR { 908} (( segid "B " and resid 22 and name HB2 )) (( segid "B " and resid 25 and name HD2 )) ASSI { 909} (( segid "B " and resid 27 and name HB1 )) (( segid "B " and resid 30 and name HG1 )) 4.100 2.100 1.900 peak 909 weight 0.10000E+01 volume 0.55757E-03 ppm1 1.965 ppm2 1.599 CV 1 OR { 909} (( segid "B " and resid 22 and name HB2 )) (( segid "B " and resid 25 and name HD2 )) OR { 909} (( segid "B " and resid 27 and name HB1 )) (( segid "B " and resid 25 and name HD2 )) ASSI { 912} (( segid "A " and resid 4 and name HB )) (( segid "A " and resid 3 and name HD1 )) 4.300 2.300 1.700 peak 912 weight 0.10000E+01 volume 0.73909E-03 ppm1 2.079 ppm2 1.540 CV 1 OR { 912} (( segid "B " and resid 29 and name HB2 )) (( segid "B " and resid 33 and name HB1 )) ASSI { 913} (( segid "A " and resid 4 and name HB )) (( segid "A " and resid 3 and name HD1 )) 4.400 2.500 1.600 peak 913 weight 0.10000E+01 volume 0.75206E-03 ppm1 2.084 ppm2 1.585 CV 1 OR { 913} (( segid "A " and resid 4 and name HB )) (( segid "B " and resid 14 and name HG )) OR { 913} (( segid "B " and resid 29 and name HB2 )) (( segid "B " and resid 30 and name HG1 )) ASSI { 916} (( segid "B " and resid 27 and name HB1 )) (( segid "B " and resid 31 and name HB1 )) 3.600 1.600 1.600 peak 916 weight 0.10000E+01 volume 0.46678E-03 ppm1 1.958 ppm2 1.340 CV 1 OR { 916} (( segid "B " and resid 20 and name HB2 )) (( segid "B " and resid 21 and name HG1 )) OR { 916} (( segid "B " and resid 22 and name HB2 )) (( segid "A " and resid 8 and name HG1 )) ASSI { 920} (( segid "B " and resid 21 and name HD2 )) (( segid "B " and resid 17 and name HD11)) 4.100 2.100 1.900 peak 920 weight 0.10000E+01 volume 0.45381E-03 ppm1 1.680 ppm2 0.767 CV 1 OR { 920} (( segid "B " and resid 14 and name HB2 )) (( segid "B " and resid 15 and name HD11)) OR { 920} (( segid "B " and resid 20 and name HG1 )) (( segid "B " and resid 17 and name HD11)) OR { 920} (( segid "A " and resid 3 and name HB2 )) (( segid "B " and resid 15 and name HD11)) ASSI { 922} (( segid "A " and resid 7 and name HB2 )) (( segid "B " and resid 15 and name HD11)) 4.300 2.300 1.700 peak 922 weight 0.10000E+01 volume 0.53161E-03 ppm1 2.999 ppm2 0.814 CV 1 OR { 922} (( segid "B " and resid 12 and name HE2 )) (( segid "B " and resid 15 and name HD11)) ASSI { 927} (( segid "B " and resid 19 and name HB2 )) (( segid "B " and resid 21 and name HG1 )) 4.800 2.900 1.200 peak 927 weight 0.10000E+01 volume 0.38898E-03 ppm1 2.813 ppm2 1.403 CV 1 OR { 927} (( segid "A " and resid 10 and name HB1 )) (( segid "B " and resid 12 and name HG2 )) ASSI { 928} (( segid "B " and resid 19 and name HB1 )) (( segid "B " and resid 21 and name HG1 )) 4.300 2.300 1.700 peak 928 weight 0.10000E+01 volume 0.63536E-03 ppm1 2.737 ppm2 1.398 CV 1 OR { 928} (( segid "B " and resid 19 and name HB2 )) (( segid "B " and resid 21 and name HG1 )) OR { 928} (( segid "B " and resid 19 and name HB2 )) (( segid "A " and resid 8 and name HG1 )) ASSI { 934} (( segid "A " and resid 3 and name HE1 )) (( segid "B " and resid 15 and name HB )) 4.500 2.600 1.500 peak 934 weight 0.10000E+01 volume 0.44085E-03 ppm1 2.840 ppm2 1.831 CV 1 OR { 934} (( segid "A " and resid 10 and name HB1 )) (( segid "A " and resid 11 and name HB2 )) ASSI { 935} (( segid "B " and resid 23 and name HB2 )) (( segid "B " and resid 22 and name HB2 )) 3.900 1.900 1.900 peak 935 weight 0.10000E+01 volume 0.44085E-03 ppm1 3.090 ppm2 1.946 CV 1 OR { 935} (( segid "A " and resid 7 and name HB1 )) (( segid "A " and resid 11 and name HB1 )) OR { 935} (( segid "B " and resid 26 and name HB2 )) (( segid "B " and resid 27 and name HB1 )) OR { 935} (( segid "B " and resid 23 and name HB2 )) (( segid "B " and resid 27 and name HB1 )) ASSI { 936} (( segid "A " and resid 7 and name HB1 )) (( segid "A " and resid 11 and name HB1 )) 4.300 2.300 1.700 peak 936 weight 0.10000E+01 volume 0.53161E-03 ppm1 3.122 ppm2 1.911 CV 1 OR { 936} (( segid "B " and resid 26 and name HB2 )) (( segid "B " and resid 27 and name HB1 )) OR { 936} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 27 and name HB1 )) ASSI { 938} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 21 and name HB2 )) 4.300 2.300 1.700 peak 938 weight 0.10000E+01 volume 0.59647E-03 ppm1 3.302 ppm2 1.829 CV 1 OR { 938} (( segid "B " and resid 18 and name HB2 )) (( segid "A " and resid 8 and name HB1 )) OR { 938} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 15 and name HB )) OR { 938} (( segid "A " and resid 2 and name HB2 )) (( segid "B " and resid 15 and name HB )) ASSI { 941} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 22 and name HB2 )) 4.500 2.500 1.500 peak 941 weight 0.10000E+01 volume 0.41492E-03 ppm1 3.295 ppm2 1.958 CV 1 OR { 941} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 20 and name HB2 )) ASSI { 945} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 15 and name HB )) 3.700 1.700 1.700 peak 945 weight 0.10000E+01 volume 0.60943E-03 ppm1 4.365 ppm2 1.816 CV 1 OR { 945} (( segid "B " and resid 16 and name HA )) (( segid "B " and resid 15 and name HB )) OR { 945} (( segid "B " and resid 16 and name HA )) (( segid "B " and resid 17 and name HB )) ASSI { 956} (( segid "B " and resid 19 and name HA )) (( segid "A " and resid 8 and name HA )) 4.000 2.000 2.000 peak 956 weight 0.10000E+01 volume 0.47975E-03 ppm1 4.616 ppm2 4.237 CV 1 OR { 956} (( segid "A " and resid 2 and name HA )) (( segid "A " and resid 1 and name HA )) OR { 956} (( segid "B " and resid 19 and name HA )) (( segid "B " and resid 20 and name HA )) OR { 956} (( segid "B " and resid 19 and name HA )) (( segid "B " and resid 22 and name HA )) OR { 956} (( segid "B " and resid 18 and name HA )) (( segid "B " and resid 21 and name HA )) ASSI { 958} (( segid "B " and resid 18 and name HA )) (( segid "B " and resid 14 and name HB2 )) 4.600 2.700 1.400 peak 958 weight 0.10000E+01 volume 0.37602E-03 ppm1 4.620 ppm2 1.640 CV 1 OR { 958} (( segid "B " and resid 19 and name HA )) (( segid "B " and resid 20 and name HG1 )) OR { 958} (( segid "B " and resid 19 and name HA )) (( segid "A " and resid 11 and name HG1 )) ASSI { 959} (( segid "A " and resid 2 and name HA )) (( segid "A " and resid 4 and name HB )) 4.300 2.300 1.700 peak 959 weight 0.10000E+01 volume 0.72613E-03 ppm1 4.623 ppm2 2.048 CV 1 OR { 959} (( segid "A " and resid 2 and name HA )) (( segid "A " and resid 1 and name HE1 )) ASSI { 3} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 7 and name HA )) 3.300 1.400 1.400 peak 3 weight 0.10000E+01 volume 0.26710E-02 ppm1 7.362 ppm2 4.550 CV 1 OR { 3} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 23 and name HA )) ASSI { 30} (( segid "A " and resid 3 and name HN )) (( segid "A " and resid 2 and name HB2 )) 2.300 0.600 0.600 peak 30 weight 0.10000E+01 volume 0.75206E-03 ppm1 7.668 ppm2 3.300 CV 1 OR { 30} (( segid "B " and resid 35 and name HE3 )) (( segid "B " and resid 35 and name HB2 )) ASSI { 49} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 7 and name HB1 )) 3.500 1.500 1.500 peak 49 weight 0.10000E+01 volume 0.26061E-02 ppm1 7.361 ppm2 3.112 CV 1 OR { 49} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 26 and name HB2 )) ASSI { 73} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 23 and name HB1 )) 3.800 1.800 1.800 peak 73 weight 0.10000E+01 volume 0.19320E-02 ppm1 7.356 ppm2 3.201 CV 1 OR { 73} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 26 and name HB1 )) ASSI { 80} (( segid "A " and resid 7 and name HZ )) (( segid "A " and resid 10 and name HB1 )) 4.300 2.300 1.700 peak 80 weight 0.10000E+01 volume 0.66130E-03 ppm1 7.330 ppm2 2.893 CV 1 OR { 80} (( segid "A " and resid 7 and name HZ )) (( segid "A " and resid 3 and name HE1 )) ASSI { 82} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 27 and name HG2 )) 3.300 1.400 1.400 peak 82 weight 0.10000E+01 volume 0.67426E-03 ppm1 7.332 ppm2 2.276 CV 1 OR { 82} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 22 and name HG1 )) ASSI { 104} ( segid "A " and resid 6 and name HE% ) ( segid "A " and resid 4 and name HG1%) 2.000 2.000 4.000 peak 104 weight 0.10000E+01 volume 0.31248E-02 ppm1 7.323 ppm2 0.946 CV 1 OR { 104} (( segid "B " and resid 18 and name HD1 )) ( segid "A " and resid 4 and name HG1%) ASSI { 114} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD13)) 3.000 1.100 1.100 peak 114 weight 0.10000E+01 volume 0.15171E-02 ppm1 7.315 ppm2 0.868 CV 1 OR { 114} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD13)) OR { 114} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HD12)) OR { 114} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD11)) OR { 114} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD11)) OR { 114} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HD11)) OR { 114} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD12)) OR { 114} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD12)) ASSI { 123} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 26 and name HB2 )) 3.000 1.100 1.100 peak 123 weight 0.10000E+01 volume 0.15560E-02 ppm1 7.262 ppm2 3.081 CV 1 OR { 123} ( segid "B " and resid 23 and name HD% ) (( segid "B " and resid 23 and name HB2 )) ASSI { 127} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 4 and name HB )) 3.500 3.500 2.500 peak 127 weight 0.10000E+01 volume 0.31896E-02 ppm1 7.263 ppm2 2.049 CV 1 OR { 127} (( segid "A " and resid 2 and name HD1 )) (( segid "A " and resid 4 and name HB )) ASSI { 155} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 8 and name HG1 )) 3.900 1.900 1.900 peak 155 weight 0.10000E+01 volume 0.11670E-02 ppm1 7.251 ppm2 1.357 CV 1 OR { 155} (( segid "B " and resid 35 and name HD1 )) (( segid "B " and resid 33 and name HB2 )) ASSI { 156} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 7 and name HB1 )) 2.100 0.600 0.600 peak 156 weight 0.10000E+01 volume 0.62240E-02 ppm1 7.242 ppm2 3.118 CV 1 OR { 156} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 26 and name HB2 )) ASSI { 189} (( segid "B " and resid 23 and name HA )) (( segid "B " and resid 22 and name HB2 )) 3.900 1.900 1.900 peak 189 weight 0.10000E+01 volume 0.76503E-03 ppm1 4.560 ppm2 1.886 CV 1 OR { 189} (( segid "A " and resid 7 and name HA )) (( segid "A " and resid 11 and name HB1 )) ASSI { 191} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 25 and name HB1 )) 3.400 1.500 1.500 peak 191 weight 0.10000E+01 volume 0.82986E-03 ppm1 4.562 ppm2 1.767 CV 1 OR { 191} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 30 and name HB1 )) ASSI { 205} (( segid "B " and resid 23 and name HA )) (( segid "B " and resid 25 and name HB1 )) 3.400 1.400 1.400 peak 205 weight 0.10000E+01 volume 0.10762E-02 ppm1 4.550 ppm2 1.792 CV 1 OR { 205} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 25 and name HB1 )) ASSI { 208} (( segid "B " and resid 23 and name HA )) (( segid "B " and resid 25 and name HD2 )) 3.000 1.100 1.100 peak 208 weight 0.10000E+01 volume 0.11670E-02 ppm1 4.552 ppm2 1.636 CV 1 OR { 208} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 25 and name HD2 )) ASSI { 209} (( segid "B " and resid 23 and name HA )) (( segid "B " and resid 25 and name HG2 )) 3.800 1.800 1.800 peak 209 weight 0.10000E+01 volume 0.98545E-03 ppm1 4.550 ppm2 1.399 CV 1 OR { 209} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 25 and name HG2 )) ASSI { 238} (( segid "A " and resid 11 and name HA )) (( segid "A " and resid 11 and name HG1 )) 2.600 0.800 0.800 peak 238 weight 0.10000E+01 volume 0.96339E-02 ppm1 4.285 ppm2 1.634 CV 1 OR { 238} (( segid "A " and resid 9 and name HA )) (( segid "A " and resid 9 and name HG1 )) ASSI { 244} (( segid "B " and resid 21 and name HA )) (( segid "B " and resid 22 and name HB2 )) 3.500 1.500 1.500 peak 244 weight 0.10000E+01 volume 0.18412E-02 ppm1 4.257 ppm2 1.996 CV 1 OR { 244} (( segid "B " and resid 20 and name HA )) (( segid "B " and resid 22 and name HB2 )) ASSI { 262} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 8 and name HB1 )) 2.200 0.600 0.600 peak 262 weight 0.10000E+01 volume 0.10697E-01 ppm1 4.233 ppm2 1.796 CV 1 OR { 262} (( segid "B " and resid 21 and name HA )) (( segid "B " and resid 21 and name HB2 )) ASSI { 265} (( segid "B " and resid 21 and name HA )) (( segid "B " and resid 24 and name HB3 )) 2.400 0.700 0.700 peak 265 weight 0.10000E+01 volume 0.79354E-02 ppm1 4.234 ppm2 1.394 CV 1 OR { 265} (( segid "B " and resid 21 and name HA )) (( segid "B " and resid 21 and name HG1 )) OR { 265} (( segid "B " and resid 21 and name HA )) (( segid "B " and resid 24 and name HB2 )) ASSI { 291} (( segid "B " and resid 30 and name HA )) (( segid "B " and resid 30 and name HG1 )) 2.300 0.700 0.700 peak 291 weight 0.10000E+01 volume 0.10827E-01 ppm1 4.182 ppm2 1.545 CV 1 OR { 291} (( segid "A " and resid 3 and name HA )) (( segid "A " and resid 3 and name HD1 )) ASSI { 343} (( segid "B " and resid 20 and name HD2 )) (( segid "B " and resid 20 and name HB2 )) 2.200 0.600 0.600 peak 343 weight 0.10000E+01 volume 0.49271E-02 ppm1 3.204 ppm2 1.911 CV 1 OR { 343} (( segid "A " and resid 11 and name HE )) (( segid "A " and resid 11 and name HB1 )) ASSI { 369} (( segid "B " and resid 12 and name HA )) (( segid "B " and resid 15 and name HD12)) 4.100 2.100 1.900 peak 369 weight 0.10000E+01 volume 0.80392E-03 ppm1 4.031 ppm2 0.847 CV 1 OR { 369} (( segid "B " and resid 12 and name HA )) (( segid "B " and resid 14 and name HD13)) OR { 369} (( segid "B " and resid 12 and name HA )) (( segid "B " and resid 14 and name HD12)) OR { 369} (( segid "B " and resid 12 and name HA )) (( segid "B " and resid 15 and name HD13)) OR { 369} (( segid "B " and resid 12 and name HA )) (( segid "B " and resid 15 and name HD11)) ASSI { 429} (( segid "A " and resid 6 and name HA )) (( segid "A " and resid 3 and name HA )) 3.900 3.900 2.100 peak 429 weight 0.10000E+01 volume 0.95952E-03 ppm1 4.509 ppm2 4.178 CV 1 OR { 429} (( segid "A " and resid 6 and name HA )) (( segid "A " and resid 8 and name HA )) ASSI { 446} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 27 and name HA )) 4.100 2.100 1.900 peak 446 weight 0.10000E+01 volume 0.54460E-03 ppm1 7.264 ppm2 4.132 CV 1 OR { 446} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 25 and name HA )) ASSI { 626} (( segid "B " and resid 20 and name HA )) (( segid "B " and resid 19 and name HB2 )) 4.300 2.300 1.700 peak 626 weight 0.10000E+01 volume 0.55757E-03 ppm1 4.238 ppm2 2.777 CV 1 OR { 626} (( segid "A " and resid 9 and name HA )) (( segid "A " and resid 10 and name HB2 )) ASSI { 640} (( segid "A " and resid 11 and name HA )) ( segid "B " and resid 15 and name HG1%) 4.600 2.600 1.400 peak 640 weight 0.10000E+01 volume 0.66130E-03 ppm1 4.297 ppm2 1.146 CV 1 OR { 640} (( segid "B " and resid 20 and name HA )) ( segid "B " and resid 17 and name HG1%) ASSI { 716} (( segid "B " and resid 27 and name HG2 )) (( segid "B " and resid 25 and name HD2 )) 3.700 1.700 1.700 peak 716 weight 0.10000E+01 volume 0.76503E-03 ppm1 2.280 ppm2 1.624 CV 1 OR { 716} (( segid "B " and resid 27 and name HG2 )) (( segid "B " and resid 30 and name HG1 )) ASSI { 729} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 32 and name HB2 )) 3.900 1.900 1.900 peak 729 weight 0.10000E+01 volume 0.72613E-03 ppm1 2.359 ppm2 1.725 CV 1 OR { 729} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 30 and name HB1 )) ASSI { 743} (( segid "B " and resid 19 and name HB1 )) (( segid "B " and resid 20 and name HB2 )) 4.500 2.500 1.500 peak 743 weight 0.10000E+01 volume 0.41492E-03 ppm1 2.728 ppm2 1.934 CV 1 OR { 743} (( segid "B " and resid 19 and name HB1 )) (( segid "B " and resid 22 and name HB2 )) ASSI { 808} (( segid "B " and resid 22 and name HG2 )) (( segid "B " and resid 21 and name HB2 )) 3.300 1.400 1.400 peak 808 weight 0.10000E+01 volume 0.71316E-03 ppm1 2.123 ppm2 1.832 CV 1 OR { 808} (( segid "B " and resid 28 and name HB1 )) (( segid "B " and resid 32 and name HB1 )) ASSI { 868} (( segid "A " and resid 9 and name HA )) (( segid "B " and resid 22 and name HG1 )) 4.100 2.100 1.900 peak 868 weight 0.10000E+01 volume 0.71316E-03 ppm1 4.298 ppm2 2.256 CV 1 OR { 868} (( segid "B " and resid 20 and name HA )) (( segid "B " and resid 22 and name HG1 )) ASSI { 268} (( segid "B " and resid 14 and name HN )) (( segid "B " and resid 14 and name HA )) 2.500 0.800 0.800 peak 268 weight 0.10000E+01 volume 0.33980E-02 ppm1 8.389 ppm2 4.404 CV 1 OR { 268} (( segid "B " and resid 14 and name HN )) (( segid "B " and resid 13 and name HA )) ASSI { 12} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 19 and name HA )) 2.700 0.900 0.900 peak 12 weight 0.10000E+01 volume 0.29395E-02 ppm1 8.236 ppm2 4.626 CV 1 OR { 12} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 18 and name HA )) ASSI { 14} (( segid "B " and resid 19 and name HN )) (( segid "B " and resid 19 and name HA )) 2.700 0.900 0.900 peak 14 weight 0.10000E+01 volume 0.26700E-02 ppm1 8.137 ppm2 4.622 CV 1 OR { 14} (( segid "B " and resid 19 and name HN )) (( segid "B " and resid 18 and name HA )) ASSI { 29} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 29 and name HA )) 2.400 0.700 0.700 peak 29 weight 0.10000E+01 volume 0.56365E-02 ppm1 8.228 ppm2 4.170 CV 1 OR { 29} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 28 and name HA )) ASSI { 33} (( segid "B " and resid 19 and name HN )) (( segid "B " and resid 15 and name HA )) 2.300 0.600 0.600 peak 33 weight 0.10000E+01 volume 0.90884E-02 ppm1 8.130 ppm2 4.207 CV 1 OR { 33} (( segid "A " and resid 9 and name HN )) (( segid "A " and resid 8 and name HA )) ASSI { 34} (( segid "B " and resid 23 and name HN )) (( segid "B " and resid 22 and name HA )) 2.400 0.700 0.700 peak 34 weight 0.10000E+01 volume 0.60141E-02 ppm1 8.085 ppm2 4.214 CV 1 OR { 34} (( segid "B " and resid 23 and name HN )) (( segid "B " and resid 21 and name HA )) ASSI { 37} (( segid "B " and resid 33 and name HN )) (( segid "B " and resid 30 and name HA )) 2.500 2.500 3.500 peak 37 weight 0.10000E+01 volume 0.50970E-02 ppm1 8.016 ppm2 4.175 CV 1 OR { 37} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 30 and name HA )) ASSI { 39} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 32 and name HA )) 2.400 0.700 0.700 peak 39 weight 0.10000E+01 volume 0.48273E-02 ppm1 7.938 ppm2 4.213 CV 1 OR { 39} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 31 and name HA )) ASSI { 40} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 31 and name HA )) 2.500 0.800 0.800 peak 40 weight 0.10000E+01 volume 0.42880E-02 ppm1 7.939 ppm2 4.176 CV 1 OR { 40} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 30 and name HA )) ASSI { 89} (( segid "B " and resid 14 and name HN )) (( segid "B " and resid 14 and name HB2 )) 2.800 0.900 0.900 peak 89 weight 0.10000E+01 volume 0.42070E-02 ppm1 8.390 ppm2 1.596 CV 1 OR { 89} (( segid "B " and resid 14 and name HN )) (( segid "B " and resid 13 and name HB2 )) ASSI { 103} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 30 and name HB2 )) 2.500 0.800 0.800 peak 103 weight 0.10000E+01 volume 0.25890E-02 ppm1 8.067 ppm2 1.803 CV 1 OR { 103} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 30 and name HB2 )) ASSI { 104} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 30 and name HB1 )) 2.700 0.900 0.900 peak 104 weight 0.10000E+01 volume 0.34790E-02 ppm1 8.066 ppm2 1.739 CV 1 OR { 104} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 30 and name HB1 )) ASSI { 106} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 25 and name HG2 )) 3.100 1.200 1.200 peak 106 weight 0.10000E+01 volume 0.37217E-02 ppm1 8.061 ppm2 1.413 CV 1 OR { 106} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 24 and name HB2 )) OR { 106} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 24 and name HB1 )) ASSI { 142} ( segid "B " and resid 23 and name HD% ) (( segid "B " and resid 25 and name HD1 )) 3.200 3.200 2.800 peak 142 weight 0.10000E+01 volume 0.18608E-02 ppm1 7.247 ppm2 1.613 CV 1 OR { 142} (( segid "B " and resid 35 and name HD1 )) (( segid "B " and resid 34 and name HD2 )) ASSI { 148} (( segid "B " and resid 22 and name HN )) (( segid "B " and resid 22 and name HA )) 2.400 0.700 0.700 peak 148 weight 0.10000E+01 volume 0.66343E-02 ppm1 8.265 ppm2 4.214 CV 1 OR { 148} (( segid "B " and resid 22 and name HN )) (( segid "B " and resid 21 and name HA )) ASSI { 174} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 23 and name HA )) 3.300 3.300 2.700 peak 174 weight 0.10000E+01 volume 0.23463E-02 ppm1 7.344 ppm2 4.540 CV 1 OR { 174} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 26 and name HA )) ASSI { 178} ( segid "B " and resid 23 and name HD% ) (( segid "B " and resid 23 and name HA )) 2.700 0.900 0.900 peak 178 weight 0.10000E+01 volume 0.55017E-02 ppm1 7.243 ppm2 4.540 CV 1 OR { 178} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 26 and name HA )) ASSI { 187} ( segid "A " and resid 7 and name HE% ) ( segid "A " and resid 7 and name HD% ) 1.400 0.300 0.800 peak 187 weight 0.10000E+01 volume 0.93768E-01 ppm1 7.344 ppm2 7.222 CV 1 OR { 187} ( segid "B " and resid 26 and name HE% ) ( segid "B " and resid 26 and name HD% ) ASSI { 206} (( segid "B " and resid 27 and name HN )) (( segid "B " and resid 26 and name HN )) 2.400 0.700 0.700 peak 206 weight 0.10000E+01 volume 0.18878E-02 ppm1 8.196 ppm2 8.056 CV 1 OR { 206} (( segid "B " and resid 25 and name HN )) (( segid "B " and resid 26 and name HN )) ASSI { 209} (( segid "A " and resid 9 and name HN )) (( segid "A " and resid 8 and name HN )) 2.400 0.700 0.700 peak 209 weight 0.10000E+01 volume 0.33709E-02 ppm1 8.126 ppm2 7.991 CV 1 OR { 209} (( segid "A " and resid 9 and name HN )) (( segid "A " and resid 7 and name HN )) ASSI { 212} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 36 and name HN )) 2.300 0.700 0.700 peak 212 weight 0.10000E+01 volume 0.52048E-02 ppm1 7.979 ppm2 8.023 CV 1 OR { 212} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 34 and name HN )) ASSI { 214} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 31 and name HN )) 2.500 0.800 0.800 peak 214 weight 0.10000E+01 volume 0.30205E-02 ppm1 7.939 ppm2 8.059 CV 1 OR { 214} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 30 and name HN )) ASSI { 383} (( segid "A " and resid 6 and name HB1 )) (( segid "A " and resid 10 and name HB2 )) 3.200 1.300 1.300 peak 383 weight 0.10000E+01 volume 0.15642E-02 ppm1 2.966 ppm2 2.736 CV 1 OR { 383} (( segid "A " and resid 7 and name HB2 )) (( segid "A " and resid 10 and name HB2 )) ASSI { 403} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 26 and name HB2 )) 3.800 1.800 1.800 peak 403 weight 0.10000E+01 volume 0.12405E-02 ppm1 2.386 ppm2 3.130 CV 1 OR { 403} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 26 and name HB2 )) ASSI { 433} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 27 and name HG1 )) 2.400 2.400 3.600 peak 433 weight 0.10000E+01 volume 0.10518E-02 ppm1 8.060 ppm2 2.386 CV 1 OR { 433} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 27 and name HG1 )) ASSI { 458} (( segid "B " and resid 17 and name HN )) ( segid "B " and resid 17 and name HG1%) 4.000 2.000 2.000 peak 458 weight 0.10000E+01 volume 0.86299E-03 ppm1 8.020 ppm2 1.112 CV 1 OR { 458} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 16 and name HG21)) OR { 458} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 16 and name HG22)) ASSI { 7} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 7 and name HA )) 2.100 0.600 0.600 peak 7 weight 0.10000E+01 volume 0.12810E-01 ppm1 7.991 ppm2 4.531 CV 1 OR { 7} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 36 and name HA )) OR { 7} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 6 and name HA )) OR { 7} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 23 and name HA )) ASSI { 31} (( segid "B " and resid 27 and name HN )) (( segid "B " and resid 27 and name HA )) 2.700 0.900 0.900 peak 31 weight 0.10000E+01 volume 0.33709E-02 ppm1 8.187 ppm2 4.142 CV 1 OR { 31} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 28 and name HA )) OR { 31} (( segid "B " and resid 25 and name HN )) (( segid "B " and resid 25 and name HA )) OR { 31} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 29 and name HA )) OR { 31} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 28 and name HA )) OR { 31} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 27 and name HA )) OR { 31} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 27 and name HA )) ASSI { 35} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 31 and name HA )) 2.500 0.800 0.800 peak 35 weight 0.10000E+01 volume 0.60409E-02 ppm1 8.066 ppm2 4.221 CV 1 OR { 35} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 30 and name HA )) OR { 35} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 33 and name HA )) OR { 35} (( segid "B " and resid 23 and name HN )) (( segid "B " and resid 22 and name HA )) OR { 35} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 29 and name HA )) OR { 35} (( segid "B " and resid 23 and name HN )) (( segid "B " and resid 21 and name HA )) OR { 35} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 24 and name HA )) OR { 35} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 30 and name HA )) OR { 35} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 34 and name HA )) OR { 35} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 28 and name HA )) ASSI { 36} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 16 and name HB )) 2.500 0.800 0.800 peak 36 weight 0.10000E+01 volume 0.56634E-02 ppm1 8.063 ppm2 4.172 CV 1 OR { 36} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 34 and name HA )) OR { 36} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 31 and name HA )) OR { 36} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 30 and name HA )) OR { 36} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 27 and name HA )) OR { 36} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 27 and name HA )) OR { 36} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 33 and name HA )) OR { 36} (( segid "B " and resid 23 and name HN )) (( segid "B " and resid 22 and name HA )) OR { 36} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 29 and name HA )) OR { 36} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 33 and name HA )) OR { 36} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 24 and name HA )) OR { 36} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 25 and name HA )) OR { 36} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 30 and name HA )) OR { 36} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 31 and name HA )) ASSI { 38} (( segid "B " and resid 33 and name HN )) (( segid "B " and resid 33 and name HA )) 2.100 0.500 0.500 peak 38 weight 0.10000E+01 volume 0.12864E-01 ppm1 8.001 ppm2 4.212 CV 1 OR { 38} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 16 and name HB )) OR { 38} (( segid "A " and resid 8 and name HN )) (( segid "A " and resid 8 and name HA )) OR { 38} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 34 and name HA )) OR { 38} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 24 and name HA )) OR { 38} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 21 and name HA )) OR { 38} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 33 and name HA )) OR { 38} (( segid "B " and resid 33 and name HN )) (( segid "B " and resid 29 and name HA )) OR { 38} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 33 and name HA )) OR { 38} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 34 and name HA )) OR { 38} (( segid "B " and resid 33 and name HN )) (( segid "B " and resid 32 and name HA )) OR { 38} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 31 and name HA )) ASSI { 48} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 32 and name HA )) 2.600 0.800 0.800 peak 48 weight 0.10000E+01 volume 0.40183E-02 ppm1 7.940 ppm2 4.240 CV 1 OR { 48} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 31 and name HA )) OR { 48} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 34 and name HA )) OR { 48} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 32 and name HA )) ASSI { 56} (( segid "A " and resid 8 and name HN )) (( segid "A " and resid 7 and name HB1 )) 2.900 1.000 1.000 peak 56 weight 0.10000E+01 volume 0.26429E-02 ppm1 8.026 ppm2 3.085 CV 1 OR { 56} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 7 and name HB1 )) OR { 56} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 26 and name HB2 )) OR { 56} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 23 and name HB2 )) ASSI { 58} (( segid "A " and resid 8 and name HN )) (( segid "A " and resid 7 and name HB1 )) 2.700 0.900 0.900 peak 58 weight 0.10000E+01 volume 0.29127E-02 ppm1 8.023 ppm2 3.155 CV 1 OR { 58} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 26 and name HB1 )) OR { 58} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 23 and name HB1 )) OR { 58} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 7 and name HB1 )) OR { 58} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 26 and name HB2 )) ASSI { 76} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 20 and name HB2 )) 2.200 0.600 0.600 peak 76 weight 0.10000E+01 volume 0.49621E-02 ppm1 8.202 ppm2 1.900 CV 1 OR { 76} (( segid "B " and resid 27 and name HN )) (( segid "B " and resid 27 and name HB1 )) ASSI { 77} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 32 and name HB2 )) 3.300 1.300 1.300 peak 77 weight 0.10000E+01 volume 0.15911E-02 ppm1 8.203 ppm2 1.870 CV 1 OR { 77} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 32 and name HB2 )) ASSI { 83} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 32 and name HB2 )) 3.700 1.700 1.700 peak 83 weight 0.10000E+01 volume 0.16451E-02 ppm1 8.077 ppm2 1.861 CV 1 OR { 83} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 32 and name HB2 )) ASSI { 85} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 32 and name HB2 )) 3.400 1.500 1.500 peak 85 weight 0.10000E+01 volume 0.18608E-02 ppm1 8.067 ppm2 1.837 CV 1 OR { 85} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 32 and name HB2 )) OR { 85} (( segid "B " and resid 23 and name HN )) (( segid "B " and resid 21 and name HB2 )) ASSI { 105} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 25 and name HD1 )) 3.400 1.400 1.400 peak 105 weight 0.10000E+01 volume 0.15642E-02 ppm1 8.064 ppm2 1.662 CV 1 OR { 105} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 34 and name HD2 )) OR { 105} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 14 and name HB2 )) OR { 105} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 34 and name HD2 )) ASSI { 111} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 34 and name HD2 )) 3.700 1.700 1.700 peak 111 weight 0.10000E+01 volume 0.17799E-02 ppm1 8.012 ppm2 1.596 CV 1 OR { 111} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 34 and name HD2 )) OR { 111} (( segid "B " and resid 33 and name HN )) (( segid "B " and resid 32 and name HG2 )) OR { 111} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 14 and name HB2 )) OR { 111} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 25 and name HD1 )) ASSI { 119} (( segid "B " and resid 33 and name HN )) (( segid "B " and resid 32 and name HB1 )) 2.900 1.000 1.000 peak 119 weight 0.10000E+01 volume 0.15642E-02 ppm1 7.987 ppm2 1.815 CV 1 OR { 119} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 32 and name HB2 )) OR { 119} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 17 and name HB )) OR { 119} (( segid "B " and resid 33 and name HN )) (( segid "B " and resid 32 and name HB2 )) OR { 119} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 32 and name HB1 )) ASSI { 126} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 31 and name HB1 )) 2.700 0.900 0.900 peak 126 weight 0.10000E+01 volume 0.39644E-02 ppm1 7.939 ppm2 1.417 CV 1 OR { 126} (( segid "B " and resid 15 and name HN )) (( segid "B " and resid 12 and name HG2 )) ASSI { 139} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 30 and name HG2 )) 3.300 1.300 1.300 peak 139 weight 0.10000E+01 volume 0.15642E-02 ppm1 7.340 ppm2 1.609 CV 1 OR { 139} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 25 and name HD1 )) ASSI { 155} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 30 and name HB2 )) 3.000 1.100 1.100 peak 155 weight 0.10000E+01 volume 0.18069E-02 ppm1 7.245 ppm2 1.748 CV 1 OR { 155} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 30 and name HB1 )) OR { 155} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 3 and name HB1 )) OR { 155} (( segid "B " and resid 30 and name HH21)) (( segid "B " and resid 30 and name HB1 )) OR { 155} (( segid "B " and resid 35 and name HD1 )) (( segid "B " and resid 32 and name HB1 )) OR { 155} (( segid "B " and resid 30 and name HH21)) (( segid "B " and resid 30 and name HB2 )) ASSI { 166} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 7 and name HB1 )) 2.300 0.700 0.700 peak 166 weight 0.10000E+01 volume 0.60141E-02 ppm1 7.243 ppm2 3.170 CV 1 OR { 166} ( segid "B " and resid 23 and name HD% ) (( segid "B " and resid 23 and name HB1 )) OR { 166} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 26 and name HB1 )) OR { 166} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 11 and name HE )) ASSI { 169} ( segid "B " and resid 23 and name HD% ) (( segid "B " and resid 23 and name HB1 )) 2.700 0.900 0.900 peak 169 weight 0.10000E+01 volume 0.32902E-02 ppm1 7.206 ppm2 3.185 CV 1 OR { 169} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 26 and name HB1 )) OR { 169} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 11 and name HE )) ASSI { 170} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 7 and name HB1 )) 2.400 0.700 0.700 peak 170 weight 0.10000E+01 volume 0.29666E-02 ppm1 7.194 ppm2 3.128 CV 1 OR { 170} (( segid "B " and resid 30 and name HH21)) (( segid "B " and resid 30 and name HD2 )) ASSI { 171} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 7 and name HB1 )) 3.400 1.400 1.400 peak 171 weight 0.10000E+01 volume 0.19417E-02 ppm1 7.187 ppm2 3.158 CV 1 OR { 171} (( segid "B " and resid 35 and name HZ3 )) (( segid "B " and resid 32 and name HD2 )) OR { 171} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 11 and name HE )) ASSI { 175} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HA )) 2.700 0.900 0.900 peak 175 weight 0.10000E+01 volume 0.16181E-02 ppm1 7.338 ppm2 4.220 CV 1 OR { 175} ( segid "A " and resid 6 and name HE% ) (( segid "A " and resid 3 and name HA )) ASSI { 179} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HA )) 2.700 0.900 0.900 peak 179 weight 0.10000E+01 volume 0.19957E-02 ppm1 7.243 ppm2 4.167 CV 1 OR { 179} (( segid "B " and resid 35 and name HD1 )) (( segid "B " and resid 32 and name HA )) OR { 179} ( segid "B " and resid 23 and name HD% ) (( segid "B " and resid 24 and name HA )) OR { 179} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 27 and name HA )) OR { 179} (( segid "B " and resid 18 and name HD1 )) (( segid "A " and resid 8 and name HA )) OR { 179} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 24 and name HA )) OR { 179} (( segid "B " and resid 35 and name HH2 )) (( segid "B " and resid 32 and name HA )) OR { 179} ( segid "A " and resid 7 and name HD% ) (( segid "B " and resid 15 and name HA )) OR { 179} (( segid "B " and resid 32 and name HH21)) (( segid "B " and resid 32 and name HA )) ASSI { 181} (( segid "B " and resid 35 and name HD1 )) (( segid "B " and resid 35 and name HA )) 3.200 1.200 1.200 peak 181 weight 0.10000E+01 volume 0.27239E-02 ppm1 7.254 ppm2 4.693 CV 1 OR { 181} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 10 and name HA )) ASSI { 190} ( segid "B " and resid 23 and name HE% ) ( segid "B " and resid 23 and name HD% ) 1.700 0.400 0.500 peak 190 weight 0.10000E+01 volume 0.45928E-01 ppm1 7.344 ppm2 7.244 CV 1 OR { 190} ( segid "B " and resid 26 and name HE% ) ( segid "B " and resid 26 and name HD% ) OR { 190} ( segid "A " and resid 6 and name HE% ) (( segid "A " and resid 6 and name HZ )) ASSI { 218} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 29 and name HN )) 2.500 0.800 0.800 peak 218 weight 0.10000E+01 volume 0.24541E-02 ppm1 8.076 ppm2 8.243 CV 1 OR { 218} (( segid "B " and resid 23 and name HN )) (( segid "B " and resid 22 and name HN )) ASSI { 264} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 32 and name HN )) 3.800 1.800 1.800 peak 264 weight 0.10000E+01 volume 0.10518E-02 ppm1 8.196 ppm2 7.932 CV 1 OR { 264} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 32 and name HN )) ASSI { 265} (( segid "A " and resid 5 and name HN )) (( segid "A " and resid 4 and name HN )) 3.100 1.200 1.200 peak 265 weight 0.10000E+01 volume 0.88997E-03 ppm1 8.245 ppm2 7.826 CV 1 OR { 265} (( segid "A " and resid 5 and name HN )) (( segid "A " and resid 2 and name HN )) ASSI { 277} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD11)) 3.800 1.800 1.800 peak 277 weight 0.10000E+01 volume 0.11596E-02 ppm1 7.325 ppm2 0.822 CV 1 OR { 277} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 15 and name HD11)) ASSI { 286} ( segid "A " and resid 7 and name HD% ) (( segid "B " and resid 15 and name HG21)) 3.400 1.500 1.500 peak 286 weight 0.10000E+01 volume 0.11596E-02 ppm1 7.248 ppm2 0.829 CV 1 OR { 286} ( segid "A " and resid 7 and name HD% ) (( segid "B " and resid 15 and name HD11)) OR { 286} (( segid "A " and resid 2 and name HH2 )) (( segid "B " and resid 15 and name HD11)) OR { 286} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD11)) ASSI { 288} ( segid "A " and resid 7 and name HD% ) (( segid "B " and resid 15 and name HG21)) 3.300 1.300 1.300 peak 288 weight 0.10000E+01 volume 0.13754E-02 ppm1 7.245 ppm2 0.868 CV 1 OR { 288} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HG21)) ASSI { 290} ( segid "A " and resid 7 and name HD% ) (( segid "B " and resid 15 and name HD11)) 3.500 1.600 1.600 peak 290 weight 0.10000E+01 volume 0.14024E-02 ppm1 7.245 ppm2 0.810 CV 1 OR { 290} (( segid "A " and resid 2 and name HH2 )) (( segid "B " and resid 15 and name HD11)) OR { 290} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD11)) ASSI { 291} ( segid "A " and resid 7 and name HD% ) (( segid "B " and resid 15 and name HG21)) 3.600 1.600 1.600 peak 291 weight 0.10000E+01 volume 0.78209E-03 ppm1 7.236 ppm2 0.892 CV 1 OR { 291} (( segid "A " and resid 2 and name HH2 )) (( segid "B " and resid 14 and name HD11)) ASSI { 301} (( segid "B " and resid 35 and name HD1 )) (( segid "B " and resid 32 and name HA )) 3.800 1.800 1.800 peak 301 weight 0.10000E+01 volume 0.83602E-03 ppm1 7.300 ppm2 4.257 CV 1 OR { 301} (( segid "A " and resid 7 and name HZ )) (( segid "A " and resid 11 and name HA )) OR { 301} (( segid "B " and resid 18 and name HD1 )) (( segid "A " and resid 8 and name HA )) OR { 301} (( segid "B " and resid 35 and name HH2 )) (( segid "B " and resid 32 and name HA )) OR { 301} (( segid "B " and resid 32 and name HH21)) (( segid "B " and resid 32 and name HA )) ASSI { 302} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HA )) 2.900 1.100 1.100 peak 302 weight 0.10000E+01 volume 0.11327E-02 ppm1 7.295 ppm2 4.216 CV 1 OR { 302} ( segid "A " and resid 6 and name HE% ) (( segid "A " and resid 3 and name HA )) OR { 302} (( segid "B " and resid 35 and name HD1 )) (( segid "B " and resid 32 and name HA )) OR { 302} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 24 and name HA )) OR { 302} (( segid "B " and resid 32 and name HH21)) (( segid "B " and resid 32 and name HA )) ASSI { 303} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HA )) 3.100 1.200 1.200 peak 303 weight 0.10000E+01 volume 0.70119E-03 ppm1 7.292 ppm2 4.146 CV 1 OR { 303} ( segid "A " and resid 6 and name HE% ) (( segid "A " and resid 3 and name HA )) OR { 303} ( segid "A " and resid 7 and name HD% ) (( segid "B " and resid 15 and name HA )) ASSI { 309} ( segid "B " and resid 15 and name HG1%) ( segid "A " and resid 7 and name HE% ) 4.500 2.600 1.500 peak 309 weight 0.10000E+01 volume 0.56634E-03 ppm1 1.122 ppm2 7.351 CV 1 OR { 309} (( segid "A " and resid 3 and name HG2 )) ( segid "A " and resid 7 and name HE% ) ASSI { 311} ( segid "B " and resid 15 and name HG1%) (( segid "B " and resid 15 and name HD11)) 2.800 1.000 1.000 peak 311 weight 0.10000E+01 volume 0.18339E-02 ppm1 1.125 ppm2 0.787 CV 1 OR { 311} ( segid "B " and resid 17 and name HG1%) (( segid "B " and resid 17 and name HD11)) ASSI { 314} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 6 and name HA )) 3.900 1.900 1.900 peak 314 weight 0.10000E+01 volume 0.10248E-02 ppm1 7.236 ppm2 4.467 CV 1 OR { 314} (( segid "A " and resid 2 and name HH2 )) (( segid "B " and resid 14 and name HA )) ASSI { 316} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 13 and name HA )) 4.400 2.400 1.600 peak 316 weight 0.10000E+01 volume 0.80907E-03 ppm1 7.131 ppm2 4.427 CV 1 OR { 316} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 14 and name HA )) ASSI { 318} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 7 and name HB1 )) 4.000 2.000 2.000 peak 318 weight 0.10000E+01 volume 0.70119E-03 ppm1 7.103 ppm2 3.119 CV 1 OR { 318} ( segid "A " and resid 6 and name HD% ) (( segid "A " and resid 9 and name HD1 )) OR { 318} ( segid "A " and resid 6 and name HD% ) (( segid "A " and resid 7 and name HB1 )) ASSI { 335} (( segid "A " and resid 3 and name HG2 )) (( segid "B " and resid 15 and name HB )) 4.500 2.600 1.500 peak 335 weight 0.10000E+01 volume 0.78209E-03 ppm1 1.051 ppm2 1.800 CV 1 OR { 335} (( segid "A " and resid 3 and name HG2 )) (( segid "A " and resid 8 and name HB2 )) ASSI { 343} ( segid "A " and resid 4 and name HG2%) (( segid "B " and resid 19 and name HA )) 3.700 1.700 1.700 peak 343 weight 0.10000E+01 volume 0.97087E-03 ppm1 0.957 ppm2 4.603 CV 1 OR { 343} (( segid "B " and resid 14 and name HD11)) (( segid "B " and resid 18 and name HA )) OR { 343} (( segid "B " and resid 14 and name HD11)) (( segid "B " and resid 19 and name HA )) OR { 343} ( segid "A " and resid 4 and name HG1%) (( segid "B " and resid 19 and name HA )) ASSI { 344} (( segid "B " and resid 14 and name HD11)) (( segid "B " and resid 18 and name HB2 )) 4.000 2.000 2.000 peak 344 weight 0.10000E+01 volume 0.78209E-03 ppm1 0.963 ppm2 3.269 CV 1 OR { 344} ( segid "A " and resid 4 and name HG2%) (( segid "A " and resid 2 and name HB2 )) OR { 344} (( segid "B " and resid 14 and name HD21)) (( segid "B " and resid 18 and name HB2 )) ASSI { 358} (( segid "B " and resid 15 and name HN )) (( segid "B 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ppm2 4.251 CV 1 OR { 413} (( segid "B " and resid 21 and name HG2 )) (( segid "B " and resid 21 and name HA )) OR { 413} (( segid "B " and resid 24 and name HB1 )) (( segid "B " and resid 21 and name HA )) ASSI { 414} (( segid "B " and resid 24 and name HB1 )) (( segid "B " and resid 24 and name HA )) 2.400 0.700 0.700 peak 414 weight 0.10000E+01 volume 0.69038E-02 ppm1 1.419 ppm2 4.174 CV 1 OR { 414} (( segid "B " and resid 31 and name HB1 )) (( segid "B " and resid 31 and name HA )) OR { 414} (( segid "B " and resid 25 and name HG2 )) (( segid "B " and resid 25 and name HA )) ASSI { 415} (( segid "B " and resid 24 and name HB1 )) (( segid "B " and resid 24 and name HA )) 2.500 0.800 0.800 peak 415 weight 0.10000E+01 volume 0.51509E-02 ppm1 1.419 ppm2 4.210 CV 1 OR { 415} (( segid "B " and resid 31 and name HB1 )) (( segid "B " and resid 31 and name HA )) OR { 415} (( segid "B " and resid 21 and name HG2 )) (( segid "B " and resid 21 and name HA )) OR { 415} (( segid "B " and resid 25 and name HG2 )) (( segid "B " and resid 25 and name HA )) ASSI { 418} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 26 and name HB1 )) 3.200 1.300 1.300 peak 418 weight 0.10000E+01 volume 0.13215E-02 ppm1 7.293 ppm2 3.183 CV 1 OR { 418} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 18 and name HB1 )) OR { 418} (( segid "B " and resid 35 and name HH2 )) (( segid "B " and resid 32 and name HD2 )) OR { 418} (( segid "B " and resid 32 and name HH21)) (( segid "B " and resid 32 and name HD2 )) ASSI { 424} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 27 and name HB1 )) 4.000 2.000 2.000 peak 424 weight 0.10000E+01 volume 0.97087E-03 ppm1 7.335 ppm2 1.907 CV 1 OR { 424} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 11 and name HB2 )) OR { 424} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 27 and name HB1 )) OR { 424} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 20 and name 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HN )) (( segid "B " and resid 23 and name HB2 )) 4.000 2.000 2.000 peak 447 weight 0.10000E+01 volume 0.83602E-03 ppm1 7.994 ppm2 3.048 CV 1 OR { 447} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 6 and name HB1 )) ASSI { 450} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 11 and name HE )) 4.100 2.100 1.900 peak 450 weight 0.10000E+01 volume 0.70119E-03 ppm1 8.258 ppm2 3.252 CV 1 OR { 450} (( segid "B " and resid 16 and name HN )) (( segid "B " and resid 18 and name HB1 )) OR { 450} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 11 and name HD2 )) OR { 450} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 18 and name HB1 )) OR { 450} (( segid "B " and resid 16 and name HN )) (( segid "B " and resid 18 and name HB2 )) ASSI { 451} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 23 and name HB1 )) 3.600 1.600 1.600 peak 451 weight 0.10000E+01 volume 0.83602E-03 ppm1 8.019 ppm2 3.227 CV 1 OR { 451} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 18 and name HB1 )) ASSI { 452} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 32 and name HD2 )) 3.600 1.600 1.600 peak 452 weight 0.10000E+01 volume 0.14833E-02 ppm1 7.938 ppm2 3.158 CV 1 OR { 452} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 7 and name HB1 )) OR { 452} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 32 and name HD2 )) OR { 452} (( segid "B " and resid 15 and name HN )) (( segid "A " and resid 11 and name HE )) ASSI { 457} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 17 and name HG21)) 3.600 1.600 1.600 peak 457 weight 0.10000E+01 volume 0.12675E-02 ppm1 8.017 ppm2 0.863 CV 1 OR { 457} (( segid "A " and resid 8 and name HN )) (( segid "B " and resid 15 and name HG21)) ASSI { 459} (( segid "B " and resid 17 and name HN )) ( segid "B " and resid 17 and name HG1%) 4.400 2.400 1.600 peak 459 weight 0.10000E+01 volume 0.59331E-03 ppm1 8.017 ppm2 1.188 CV 1 OR { 459} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 16 and name HG21)) OR { 459} (( segid "A " and resid 8 and name HN )) ( segid "B " and resid 15 and name HG1%) ASSI { 18} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 7 and name HA )) 2.200 0.600 0.600 peak 18 weight 0.10000E+01 volume 0.77022E-02 ppm1 7.243 ppm2 4.549 CV 1 OR { 18} ( segid "B " and resid 23 and name HD% ) (( segid "B " and resid 23 and name HA )) OR { 18} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 26 and name HA )) ASSI { 20} (( segid "B " and resid 35 and name HD1 )) (( segid "B " and resid 36 and name HA )) 3.700 1.700 1.700 peak 20 weight 0.10000E+01 volume 0.64833E-03 ppm1 7.243 ppm2 4.486 CV 1 OR { 20} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HA )) ASSI { 53} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 27 and name HG1 )) 3.300 1.400 1.400 peak 53 weight 0.10000E+01 volume 0.88172E-03 ppm1 7.361 ppm2 2.425 CV 1 OR { 53} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 27 and name HG1 )) ASSI { 58} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 27 and name HB1 )) 4.200 2.200 1.800 peak 58 weight 0.10000E+01 volume 0.63536E-03 ppm1 7.360 ppm2 1.973 CV 1 OR { 58} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 27 and name HB1 )) ASSI { 61} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 30 and name HB2 )) 3.800 1.800 1.800 peak 61 weight 0.10000E+01 volume 0.11670E-02 ppm1 7.358 ppm2 1.819 CV 1 OR { 61} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 15 and name HB )) ASSI { 68} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 24 and name HB1 )) 3.600 1.600 1.600 peak 68 weight 0.10000E+01 volume 0.14522E-02 ppm1 7.359 ppm2 1.394 CV 1 OR { 68} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 12 and name HG2 )) OR { 68} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 31 and name HB1 )) OR { 68} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 24 and name HB1 )) ASSI { 85} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 18 and name HB1 )) 3.200 1.300 1.300 peak 85 weight 0.10000E+01 volume 0.18153E-02 ppm1 7.321 ppm2 3.192 CV 1 OR { 85} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 11 and name HE )) OR { 85} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 23 and name HB1 )) OR { 85} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 26 and name HB1 )) OR { 85} (( segid "B " and resid 32 and name HH21)) (( segid "B " and resid 32 and name HD2 )) ASSI { 86} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 7 and name HB1 )) 3.900 1.900 1.900 peak 86 weight 0.10000E+01 volume 0.11670E-02 ppm1 7.323 ppm2 3.128 CV 1 OR { 86} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 26 and name HB2 )) OR { 86} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 26 and name HB1 )) OR { 86} (( segid "B " and resid 32 and name HH21)) (( segid "B " and resid 32 and name HD2 )) ASSI { 92} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 27 and name HB2 )) 3.500 1.500 1.500 peak 92 weight 0.10000E+01 volume 0.20228E-02 ppm1 7.324 ppm2 2.049 CV 1 OR { 92} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 27 and name HB2 )) OR { 92} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 4 and name HB )) ASSI { 93} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 22 and name HB2 )) 4.100 2.100 1.900 peak 93 weight 0.10000E+01 volume 0.66130E-03 ppm1 7.324 ppm2 1.982 CV 1 OR { 93} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 27 and name HB1 )) OR { 93} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 27 and name HB2 )) OR { 93} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 27 and name HB2 )) ASSI { 94} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 27 and name HB1 )) 3.700 1.700 1.700 peak 94 weight 0.10000E+01 volume 0.15430E-02 ppm1 7.326 ppm2 1.917 CV 1 OR { 94} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 27 and name HB1 )) OR { 94} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 11 and name HB1 )) OR { 94} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 20 and name HB2 )) ASSI { 95} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 30 and name HB2 )) 3.300 1.300 1.300 peak 95 weight 0.10000E+01 volume 0.11670E-02 ppm1 7.324 ppm2 1.742 CV 1 OR { 95} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 30 and name HB1 )) OR { 95} ( segid "A " and resid 6 and name HE% ) (( segid "A " and resid 3 and name HB2 )) ASSI { 96} ( segid "A " and resid 6 and name HE% ) (( segid "A " and resid 3 and name HB2 )) 3.000 1.100 1.100 peak 96 weight 0.10000E+01 volume 0.16078E-02 ppm1 7.322 ppm2 1.695 CV 1 OR { 96} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 21 and name HD2 )) OR { 96} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 12 and name HD2 )) ASSI { 97} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HB2 )) 3.200 1.300 1.300 peak 97 weight 0.10000E+01 volume 0.18153E-02 ppm1 7.324 ppm2 1.638 CV 1 OR { 97} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 25 and name HD2 )) OR { 97} (( segid "B " and resid 32 and name HH21)) (( segid "B " and resid 32 and name HG1 )) OR { 97} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HG )) OR { 97} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 11 and name HG1 )) ASSI { 98} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 30 and name HG1 )) 3.400 1.400 1.400 peak 98 weight 0.10000E+01 volume 0.11929E-02 ppm1 7.323 ppm2 1.602 CV 1 OR { 98} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HB2 )) OR { 98} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 25 and name HD2 )) OR { 98} (( segid "B " and resid 32 and name HH21)) (( segid "B " and resid 32 and name HG1 )) OR { 98} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HG )) ASSI { 99} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 30 and name HG1 )) 3.500 1.500 1.500 peak 99 weight 0.10000E+01 volume 0.94655E-03 ppm1 7.322 ppm2 1.542 CV 1 OR { 99} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 3 and name HD1 )) ASSI { 100} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 24 and name HB1 )) 3.600 1.600 1.600 peak 100 weight 0.10000E+01 volume 0.13096E-02 ppm1 7.324 ppm2 1.439 CV 1 OR { 100} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 12 and name HG2 )) OR { 100} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 24 and name HB1 )) ASSI { 101} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 21 and name HG1 )) 3.800 1.800 1.800 peak 101 weight 0.10000E+01 volume 0.11929E-02 ppm1 7.320 ppm2 1.399 CV 1 OR { 101} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 24 and name HB1 )) OR { 101} (( segid "B " and resid 18 and name HD1 )) (( segid "A " and resid 8 and name HG1 )) OR { 101} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 12 and name HG2 )) OR { 101} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 31 and name HB1 )) OR { 101} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 24 and name HB1 )) ASSI { 102} (( segid "B " and resid 18 and name HD1 )) (( segid "A " and resid 8 and name HG1 )) 4.400 2.400 1.600 peak 102 weight 0.10000E+01 volume 0.88172E-03 ppm1 7.325 ppm2 1.316 CV 1 OR { 102} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 8 and name HG1 )) ASSI { 105} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HG21)) 3.700 1.800 1.800 peak 105 weight 0.10000E+01 volume 0.14782E-02 ppm1 7.322 ppm2 0.885 CV 1 OR { 105} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HD11)) OR { 105} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 15 and name HG21)) ASSI { 107} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 18 and name HB1 )) 3.500 1.500 1.500 peak 107 weight 0.10000E+01 volume 0.11021E-02 ppm1 7.316 ppm2 3.215 CV 1 OR { 107} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 11 and name HE )) OR { 107} (( segid "B " and resid 35 and name HH2 )) (( segid "B " and resid 32 and name HD2 )) OR { 107} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 23 and name HB1 )) OR { 107} (( segid "B " and resid 32 and name HH21)) (( segid "B " and resid 32 and name HD2 )) ASSI { 109} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 30 and name HB2 )) 3.500 1.600 1.600 peak 109 weight 0.10000E+01 volume 0.12318E-02 ppm1 7.319 ppm2 1.768 CV 1 OR { 109} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 30 and name HB1 )) OR { 109} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 15 and name HB )) OR { 109} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HB )) ASSI { 115} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HG21)) 3.900 1.900 1.900 peak 115 weight 0.10000E+01 volume 0.13355E-02 ppm1 7.318 ppm2 0.846 CV 1 OR { 115} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD11)) OR { 115} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 15 and name HG21)) ASSI { 118} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 30 and name HB2 )) 3.700 1.700 1.700 peak 118 weight 0.10000E+01 volume 0.11151E-02 ppm1 7.312 ppm2 1.829 CV 1 OR { 118} (( segid "B " and resid 18 and name HD1 )) (( segid "A " and resid 8 and name HB1 )) OR { 118} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HB )) OR { 118} (( segid "A " and resid 7 and name HZ )) (( segid "B " and resid 15 and name HB )) ASSI { 122} ( segid "B " and resid 23 and name HD% ) (( segid "B " and resid 23 and name HB1 )) 2.700 0.900 0.900 peak 122 weight 0.10000E+01 volume 0.33064E-02 ppm1 7.261 ppm2 3.190 CV 1 OR { 122} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 26 and name HB1 )) OR { 122} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 18 and name HB1 )) OR { 122} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 11 and name HE )) ASSI { 137} (( segid "A " and resid 2 and name HH2 )) ( segid "B " and resid 15 and name HG1%) 3.500 1.500 1.500 peak 137 weight 0.10000E+01 volume 0.72613E-03 ppm1 7.265 ppm2 1.142 CV 1 OR { 137} ( segid "A " and resid 7 and name HD% ) ( segid "B " and resid 15 and name HG1%) ASSI { 139} ( segid "B " and resid 23 and name HD% ) (( segid "B " and resid 23 and name HB2 )) 3.300 1.300 1.300 peak 139 weight 0.10000E+01 volume 0.10762E-02 ppm1 7.261 ppm2 3.036 CV 1 OR { 139} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 7 and name HB2 )) ASSI { 200} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 26 and name HB2 )) 1.900 0.500 0.500 peak 200 weight 0.10000E+01 volume 0.18127E-01 ppm1 4.549 ppm2 3.119 CV 1 OR { 200} (( segid "B " and resid 23 and name HA )) (( segid "B " and resid 23 and name HB2 )) OR { 200} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 26 and name HB1 )) ASSI { 211} (( segid "A " and resid 6 and name HA )) (( segid "A " and resid 6 and name HB1 )) 2.200 0.600 0.600 peak 211 weight 0.10000E+01 volume 0.10710E-01 ppm1 4.542 ppm2 2.987 CV 1 OR { 211} (( segid "A " and resid 7 and name HA )) (( segid "A " and resid 7 and name HB2 )) ASSI { 221} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 12 and name HB2 )) 4.200 2.200 1.800 peak 221 weight 0.10000E+01 volume 0.73909E-03 ppm1 4.443 ppm2 1.918 CV 1 OR { 221} (( segid "B " and resid 16 and name HA )) (( segid "A " and resid 11 and name HB1 )) ASSI { 222} (( segid "B " and resid 14 and name HA )) (( segid "B " and resid 14 and name HB2 )) 2.800 1.000 1.000 peak 222 weight 0.10000E+01 volume 0.28655E-02 ppm1 4.439 ppm2 1.617 CV 1 OR { 222} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 13 and name HB2 )) OR { 222} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 13 and name HG )) ASSI { 225} (( segid "B " and resid 14 and name HA )) (( segid "B " and resid 14 and name HB2 )) 3.400 1.400 1.400 peak 225 weight 0.10000E+01 volume 0.93358E-03 ppm1 4.402 ppm2 1.640 CV 1 OR { 225} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 13 and name HB2 )) ASSI { 270} (( segid "A " and resid 9 and name HA )) (( segid "A " and resid 8 and name HE2 )) 2.900 1.100 1.100 peak 270 weight 0.10000E+01 volume 0.40975E-02 ppm1 4.228 ppm2 2.996 CV 1 OR { 270} (( segid "A " and resid 3 and name HA )) (( segid "A " and resid 7 and name HB2 )) OR { 270} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 8 and name HE2 )) OR { 270} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 7 and name HB2 )) ASSI { 271} (( segid "B " and resid 20 and name HA )) (( segid "B " and resid 20 and name HG1 )) 2.000 0.500 0.500 peak 271 weight 0.10000E+01 volume 0.23832E-01 ppm1 4.226 ppm2 1.693 CV 1 OR { 271} (( segid "A " and resid 3 and name HA )) (( segid "A " and resid 3 and name HB2 )) OR { 271} (( segid "A " and resid 9 and name HA )) (( segid "A " and resid 9 and name HB2 )) OR { 271} (( segid "B " and resid 34 and name HA )) (( segid "B " and resid 34 and name HB2 )) ASSI { 273} (( segid "B " and resid 16 and name HB )) (( segid "B " and resid 16 and name HG21)) 3.500 1.500 1.500 peak 273 weight 0.10000E+01 volume 0.71316E-03 ppm1 4.224 ppm2 1.158 CV 1 OR { 273} (( segid "B " and resid 15 and name HA )) ( segid "B " and resid 15 and name HG1%) ASSI { 275} (( segid "B " and resid 15 and name HA )) (( segid "A " and resid 3 and name HE1 )) 4.500 2.600 1.500 peak 275 weight 0.10000E+01 volume 0.67426E-03 ppm1 4.216 ppm2 2.890 CV 1 OR { 275} (( segid "A " and resid 3 and name HA )) (( segid "A " and resid 3 and name HE1 )) OR { 275} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 10 and name HB1 )) ASSI { 276} (( segid "B " and resid 30 and name HA )) (( segid "B " and resid 30 and name HG1 )) 3.100 1.200 1.200 peak 276 weight 0.10000E+01 volume 0.17505E-02 ppm1 4.221 ppm2 1.564 CV 1 OR { 276} (( segid "A " and resid 9 and name HA )) (( segid "A " and resid 9 and name HG1 )) OR { 276} (( segid "A " and resid 3 and name HA )) (( segid "A " and resid 3 and name HD1 )) ASSI { 285} (( segid "B " and resid 27 and name HA )) (( segid "B " and resid 27 and name HB1 )) 3.500 1.500 1.500 peak 285 weight 0.10000E+01 volume 0.10373E-02 ppm1 4.192 ppm2 1.973 CV 1 OR { 285} (( segid "B " and resid 22 and name HA )) (( segid "B " and resid 22 and name HB2 )) OR { 285} (( segid "B " and resid 24 and name HA )) (( segid "B " and resid 27 and name HB1 )) ASSI { 287} (( segid "A " and resid 3 and name HA )) (( segid "A " and resid 7 and name HB2 )) 2.800 1.000 1.000 peak 287 weight 0.10000E+01 volume 0.49661E-02 ppm1 4.182 ppm2 2.993 CV 1 OR { 287} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 8 and name HE2 )) OR { 287} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 7 and name HB2 )) OR { 287} (( segid "A " and resid 3 and name HA )) (( segid "A " and resid 6 and name HB1 )) ASSI { 294} (( segid "B " and resid 27 and name HA )) (( segid "B " and resid 27 and name HB1 )) 3.500 1.500 1.500 peak 294 weight 0.10000E+01 volume 0.10503E-02 ppm1 4.162 ppm2 1.971 CV 1 OR { 294} (( segid "B " and resid 24 and name HA )) (( segid "B " and resid 27 and name HB1 )) ASSI { 295} (( segid "B " and resid 28 and name HA )) (( segid "B " and resid 28 and name HB1 )) 3.500 1.500 1.500 peak 295 weight 0.10000E+01 volume 0.79096E-03 ppm1 4.155 ppm2 2.105 CV 1 OR { 295} (( segid "B " and resid 29 and name HA )) (( segid "B " and resid 29 and name HB2 )) ASSI { 309} (( segid "B " and resid 17 and name HA )) (( segid "B " and resid 17 and name HB )) 3.500 1.500 1.500 peak 309 weight 0.10000E+01 volume 0.66130E-03 ppm1 4.031 ppm2 1.836 CV 1 OR { 309} (( segid "A " and resid 4 and name HA )) (( segid "A " and resid 8 and name HB1 )) ASSI { 311} (( segid "A " and resid 4 and name HA )) (( segid "A " and resid 8 and name HB1 )) 4.500 2.600 1.500 peak 311 weight 0.10000E+01 volume 0.71316E-03 ppm1 4.027 ppm2 1.782 CV 1 OR { 311} (( segid "B " and resid 12 and name HA )) (( segid "B " and resid 15 and name HB )) OR { 311} (( segid "A " and resid 4 and name HA )) (( segid "B " and resid 15 and name HB )) ASSI { 336} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 21 and name HD2 )) 3.700 1.700 1.700 peak 336 weight 0.10000E+01 volume 0.90765E-03 ppm1 3.303 ppm2 1.686 CV 1 OR { 336} (( segid "A " and resid 2 and name HB2 )) (( segid "A " and resid 3 and name HB2 )) ASSI { 344} (( segid "B " and resid 12 and name HE2 )) ( segid "B " and resid 15 and name HG1%) 4.100 2.100 1.900 peak 344 weight 0.10000E+01 volume 0.75206E-03 ppm1 3.008 ppm2 1.147 CV 1 OR { 344} (( segid "A " and resid 7 and name HB2 )) ( segid "B " and resid 15 and name HG1%) ASSI { 347} (( segid "A " and resid 10 and name HB1 )) (( segid "A " and resid 11 and name HB1 )) 3.500 1.500 1.500 peak 347 weight 0.10000E+01 volume 0.24117E-02 ppm1 2.881 ppm2 1.917 CV 1 OR { 347} (( segid "A " and resid 3 and name HE1 )) (( segid "B " and resid 12 and name HB2 )) ASSI { 357} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 13 and name HD11)) 2.500 0.800 0.800 peak 357 weight 0.10000E+01 volume 0.24766E-02 ppm1 4.433 ppm2 0.916 CV 1 OR { 357} (( segid "B " and resid 14 and name HA )) (( segid "B " and resid 14 and name HD11)) ASSI { 359} (( segid "B " and resid 14 and name HA )) (( segid "B " and resid 17 and name HG21)) 4.300 2.300 1.700 peak 359 weight 0.10000E+01 volume 0.68723E-03 ppm1 4.414 ppm2 0.840 CV 1 OR { 359} (( segid "B " and resid 16 and name HA )) (( segid "B " and resid 15 and name HG21)) OR { 359} (( segid "B " and resid 14 and name HA )) (( segid "B " and resid 15 and name HD11)) OR { 359} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 15 and name HD11)) OR { 359} (( segid "B " and resid 16 and name HA )) (( segid "B " and resid 17 and name HG21)) OR { 359} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 15 and name HG21)) OR { 359} (( segid "B " and resid 14 and name HA )) (( segid "B " and resid 15 and name HG21)) ASSI { 363} (( segid "B " and resid 16 and name HA )) (( segid "B " and resid 15 and name HG21)) 4.100 2.100 1.900 peak 363 weight 0.10000E+01 volume 0.86875E-03 ppm1 4.371 ppm2 0.839 CV 1 OR { 363} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 15 and name HD11)) OR { 363} (( segid "B " and resid 16 and name HA )) (( segid "B " and resid 17 and name HG21)) OR { 363} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 15 and name HG21)) OR { 363} (( segid "B " and resid 16 and name HA )) (( segid "B " and resid 15 and name HD11)) ASSI { 366} (( segid "A " and resid 4 and name HA )) ( segid "A " and resid 4 and name HG2%) 1.600 1.600 4.400 peak 366 weight 0.10000E+01 volume 0.29253E-01 ppm1 4.028 ppm2 0.946 CV 1 OR { 366} (( segid "B " and resid 12 and name HA )) (( segid "B " and resid 14 and name HD21)) OR { 366} (( segid "A " and resid 4 and name HA )) ( segid "A " and resid 4 and name HG1%) ASSI { 387} (( segid "A " and resid 11 and name HE )) (( segid "B " and resid 15 and name HG21)) 3.600 1.600 1.600 peak 387 weight 0.10000E+01 volume 0.10632E-02 ppm1 3.176 ppm2 0.915 CV 1 OR { 387} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 17 and name HG21)) OR { 387} (( segid "A " and resid 11 and name HD1 )) (( segid "B " and resid 15 and name HG21)) ASSI { 395} (( segid "B " and resid 12 and name HE2 )) (( segid "B " and resid 13 and name HD11)) 3.700 1.700 1.700 peak 395 weight 0.10000E+01 volume 0.10762E-02 ppm1 3.013 ppm2 0.882 CV 1 OR { 395} (( segid "A " and resid 7 and name HB2 )) (( segid "B " and resid 15 and name HG21)) ASSI { 396} (( segid "B " and resid 12 and name HE2 )) (( segid "B " and resid 13 and name HD11)) 3.800 1.800 1.800 peak 396 weight 0.10000E+01 volume 0.10373E-02 ppm1 3.004 ppm2 0.917 CV 1 OR { 396} (( segid "A " and resid 7 and name HB2 )) (( segid "B " and resid 15 and name HG21)) OR { 396} (( segid "A " and resid 7 and name HB2 )) ( segid "A " and resid 4 and name HG1%) ASSI { 405} (( segid "B " and resid 35 and name HA )) (( segid "B " and resid 34 and name HD1 )) 3.800 1.800 1.800 peak 405 weight 0.10000E+01 volume 0.15171E-02 ppm1 4.706 ppm2 1.668 CV 1 OR { 405} (( segid "A " and resid 10 and name HA )) (( segid "A " and resid 11 and name HG1 )) ASSI { 430} (( segid "B " and resid 16 and name HA )) (( segid "B " and resid 16 and name HB )) 3.100 1.200 1.200 peak 430 weight 0.10000E+01 volume 0.17634E-02 ppm1 4.407 ppm2 4.177 CV 1 OR { 430} (( segid "B " and resid 14 and name HA )) (( segid "B " and resid 16 and name HB )) ASSI { 436} (( segid "A " and resid 10 and name HA )) (( segid "A " and resid 6 and name HB1 )) 4.000 2.000 2.000 peak 436 weight 0.10000E+01 volume 0.82986E-03 ppm1 4.706 ppm2 2.999 CV 1 OR { 436} (( segid "A " and resid 10 and name HA )) (( segid "A " and resid 7 and name HB2 )) ASSI { 445} ( segid "A " and resid 6 and name HD% ) (( segid "A " and resid 3 and name HA )) 3.800 1.800 1.800 peak 445 weight 0.10000E+01 volume 0.60943E-03 ppm1 7.106 ppm2 4.229 CV 1 OR { 445} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 3 and name HA )) ASSI { 473} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 15 and name HG21)) 4.500 2.500 1.500 peak 473 weight 0.10000E+01 volume 0.47975E-03 ppm1 7.112 ppm2 0.887 CV 1 OR { 473} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 14 and name HD11)) ASSI { 507} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 4 and name HA )) 4.400 2.400 1.600 peak 507 weight 0.10000E+01 volume 0.62240E-03 ppm1 7.326 ppm2 4.028 CV 1 OR { 507} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 17 and name HA )) OR { 507} (( segid "B " and resid 18 and name HD1 )) (( segid "A " and resid 4 and name HA )) ASSI { 516} (( segid "A " and resid 11 and name HE )) ( segid "B " and resid 15 and name HG1%) 3.900 1.900 1.900 peak 516 weight 0.10000E+01 volume 0.75206E-03 ppm1 3.208 ppm2 1.144 CV 1 OR { 516} (( segid "B " and resid 18 and name HB1 )) ( segid "B " and resid 17 and name HG1%) OR { 516} (( segid "A " and resid 11 and name HD1 )) ( segid "B " and resid 15 and name HG1%) ASSI { 525} ( segid "A " and resid 7 and name HD% ) ( segid "B " and resid 15 and name HG1%) 3.900 1.900 1.900 peak 525 weight 0.10000E+01 volume 0.40195E-03 ppm1 7.195 ppm2 1.121 CV 1 OR { 525} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 3 and name HG2 )) ASSI { 527} (( segid "A " and resid 2 and name HH2 )) ( segid "B " and resid 15 and name HG1%) 3.900 1.900 1.900 peak 527 weight 0.10000E+01 volume 0.37602E-03 ppm1 7.307 ppm2 1.187 CV 1 OR { 527} (( segid "B " and resid 18 and name HD1 )) ( segid "B " and resid 15 and name HG1%) ASSI { 528} (( segid "B " and resid 18 and name HD1 )) ( segid "B " and resid 15 and name HG1%) 4.800 2.900 1.200 peak 528 weight 0.10000E+01 volume 0.36305E-03 ppm1 7.337 ppm2 1.190 CV 1 OR { 528} ( segid "A " and resid 7 and name HE% ) ( segid "B " and resid 15 and name HG1%) ASSI { 536} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 8 and name HG1 )) 4.600 2.700 1.400 peak 536 weight 0.10000E+01 volume 0.36305E-03 ppm1 7.143 ppm2 1.339 CV 1 OR { 536} (( segid "B " and resid 35 and name HZ3 )) (( segid "B " and resid 31 and name HB1 )) ASSI { 541} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 12 and name HG2 )) 4.500 2.500 1.500 peak 541 weight 0.10000E+01 volume 0.31119E-03 ppm1 7.142 ppm2 1.396 CV 1 OR { 541} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 8 and name HG1 )) ASSI { 543} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 15 and name HB )) 4.800 2.800 1.200 peak 543 weight 0.10000E+01 volume 0.47975E-03 ppm1 7.143 ppm2 1.773 CV 1 OR { 543} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 8 and name HB1 )) ASSI { 546} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 1 and name HB2 )) 4.400 2.500 1.600 peak 546 weight 0.10000E+01 volume 0.37602E-03 ppm1 7.143 ppm2 1.862 CV 1 OR { 546} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 15 and name HB )) OR { 546} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 12 and name HB2 )) ASSI { 547} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 1 and name HB2 )) 3.900 1.900 1.900 peak 547 weight 0.10000E+01 volume 0.55757E-03 ppm1 7.111 ppm2 1.887 CV 1 OR { 547} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 12 and name HB2 )) ASSI { 548} (( segid "A " and resid 2 and name HZ2 )) (( segid "B " and resid 15 and name HB )) 4.000 2.000 2.000 peak 548 weight 0.10000E+01 volume 0.38898E-03 ppm1 7.509 ppm2 1.828 CV 1 OR { 548} (( segid "A " and resid 2 and name HZ2 )) (( segid "A " and resid 8 and name HB1 )) ASSI { 551} (( segid "A " and resid 2 and name HE3 )) (( segid "B " and resid 14 and name HG )) 4.900 3.000 1.100 peak 551 weight 0.10000E+01 volume 0.36305E-03 ppm1 7.595 ppm2 1.644 CV 1 OR { 551} (( segid "A " and resid 2 and name HE3 )) (( segid "A " and resid 8 and name HD1 )) ASSI { 554} (( segid "A " and resid 4 and name HN )) (( segid "A " and resid 3 and name HB2 )) 4.500 2.600 1.500 peak 554 weight 0.10000E+01 volume 0.38898E-03 ppm1 7.832 ppm2 1.693 CV 1 OR { 554} (( segid "A " and resid 2 and name HN )) (( segid "A " and resid 3 and name HB2 )) ASSI { 555} (( segid "A " and resid 2 and name HE3 )) (( segid "B " and resid 12 and name HG2 )) 4.600 2.700 1.400 peak 555 weight 0.10000E+01 volume 0.38898E-03 ppm1 7.601 ppm2 1.400 CV 1 OR { 555} (( segid "A " and resid 2 and name HE3 )) (( segid "A " and resid 8 and name HG1 )) ASSI { 557} (( segid "A " and resid 2 and name HE3 )) (( segid "A " and resid 3 and name HG2 )) 3.600 1.700 1.700 peak 557 weight 0.10000E+01 volume 0.27229E-03 ppm1 7.600 ppm2 1.115 CV 1 OR { 557} (( segid "A " and resid 2 and name HE3 )) ( segid "B " and resid 15 and name HG1%) ASSI { 558} (( segid "A " and resid 2 and name HE3 )) (( segid "B " and resid 15 and name HB )) 5.300 3.600 0.700 peak 558 weight 0.10000E+01 volume 0.33712E-03 ppm1 7.594 ppm2 1.822 CV 1 OR { 558} (( segid "A " and resid 2 and name HE3 )) (( segid "A " and resid 8 and name HB1 )) ASSI { 565} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 27 and name HG2 )) 3.800 1.800 1.800 peak 565 weight 0.10000E+01 volume 0.42788E-03 ppm1 7.327 ppm2 2.220 CV 1 OR { 565} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 27 and name HG2 )) ASSI { 573} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 27 and name HG1 )) 4.500 2.500 1.500 peak 573 weight 0.10000E+01 volume 0.42788E-03 ppm1 7.310 ppm2 2.360 CV 1 OR { 573} (( segid "A " and resid 2 and name HH2 )) (( segid "A " and resid 1 and name HG2 )) ASSI { 580} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 19 and name HB2 )) 4.100 2.100 1.900 peak 580 weight 0.10000E+01 volume 0.45381E-03 ppm1 7.273 ppm2 2.738 CV 1 OR { 580} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 10 and name HB2 )) OR { 580} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 19 and name HB1 )) ASSI { 583} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 7 and name HB1 )) 4.400 2.500 1.600 peak 583 weight 0.10000E+01 volume 0.41492E-03 ppm1 7.151 ppm2 3.166 CV 1 OR { 583} ( segid "A " and resid 6 and name HD% ) (( segid "A " and resid 9 and name HD2 )) OR { 583} ( segid "A " and resid 6 and name HD% ) (( segid "A " and resid 9 and name HD1 )) OR { 583} ( segid "A " and resid 6 and name HD% ) (( segid "A " and resid 7 and name HB1 )) OR { 583} (( segid "B " and resid 35 and name HZ3 )) (( segid "B " and resid 32 and name HD2 )) ASSI { 585} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 2 and name HB2 )) 4.900 3.000 1.100 peak 585 weight 0.10000E+01 volume 0.44085E-03 ppm1 7.147 ppm2 3.233 CV 1 OR { 585} ( segid "A " and resid 6 and name HD% ) (( segid "A " and resid 9 and name HD2 )) OR { 585} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 11 and name HE )) ASSI { 588} (( segid "B " and resid 35 and name HZ3 )) (( segid "B " and resid 35 and name HB2 )) 3.400 3.400 2.600 peak 588 weight 0.10000E+01 volume 0.45381E-03 ppm1 7.180 ppm2 3.345 CV 1 OR { 588} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 18 and name HB2 )) ASSI { 599} (( segid "A " and resid 2 and name HZ3 )) (( segid "A " and resid 3 and name HB2 )) 4.400 2.400 1.600 peak 599 weight 0.10000E+01 volume 0.50568E-03 ppm1 7.177 ppm2 1.732 CV 1 OR { 599} (( segid "A " and resid 2 and name HZ3 )) (( segid "B " and resid 12 and name HD2 )) ASSI { 612} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HA )) 4.300 2.300 1.700 peak 612 weight 0.10000E+01 volume 0.49271E-03 ppm1 7.267 ppm2 4.428 CV 1 OR { 612} (( segid "A " and resid 2 and name HH2 )) (( segid "B " and resid 13 and name HA )) OR { 612} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 16 and name HA )) OR { 612} (( segid "A " and resid 2 and name HH2 )) (( segid "B " and resid 14 and name HA )) ASSI { 613} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 16 and name HA )) 4.700 2.700 1.300 peak 613 weight 0.10000E+01 volume 0.37602E-03 ppm1 7.265 ppm2 4.362 CV 1 OR { 613} ( segid "A " and resid 7 and name HD% ) (( segid "B " and resid 16 and name HA )) ASSI { 614} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HA )) 4.200 2.200 1.800 peak 614 weight 0.10000E+01 volume 0.36305E-03 ppm1 7.314 ppm2 4.461 CV 1 OR { 614} ( segid "A " and resid 7 and name HE% ) (( segid "B " and resid 13 and name HA )) ASSI { 615} ( segid "A " and resid 6 and name HE% ) (( segid "A " and resid 6 and name HA )) 3.300 3.300 2.700 peak 615 weight 0.10000E+01 volume 0.33712E-03 ppm1 7.367 ppm2 4.491 CV 1 OR { 615} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 6 and name HA )) ASSI { 618} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 19 and name HA )) 4.000 2.000 2.000 peak 618 weight 0.10000E+01 volume 0.42788E-03 ppm1 7.258 ppm2 4.642 CV 1 OR { 618} (( segid "A " and resid 2 and name HD1 )) (( segid "A " and resid 2 and name HA )) OR { 618} (( segid "B " and resid 35 and name HD1 )) (( segid "B " and resid 35 and name HA )) ASSI { 621} (( segid "A " and resid 2 and name HE3 )) (( segid "A " and resid 3 and name HA )) 4.600 2.700 1.400 peak 621 weight 0.10000E+01 volume 0.40195E-03 ppm1 7.596 ppm2 4.212 CV 1 OR { 621} (( segid "A " and resid 2 and name HE3 )) (( segid "A " and resid 1 and name HA )) ASSI { 623} (( segid "A " and resid 9 and name HA )) (( segid "A " and resid 10 and name HB1 )) 4.300 2.300 1.700 peak 623 weight 0.10000E+01 volume 0.58350E-03 ppm1 4.223 ppm2 2.831 CV 1 OR { 623} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 10 and name HB1 )) ASSI { 624} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 10 and name HB1 )) 4.500 2.500 1.500 peak 624 weight 0.10000E+01 volume 0.40195E-03 ppm1 4.180 ppm2 2.832 CV 1 OR { 624} (( segid "A " and resid 3 and name HA )) (( segid "A " and resid 10 and name HB1 )) ASSI { 635} (( segid "B " and resid 15 and name HA )) (( segid "B " and resid 15 and name HG21)) 2.700 0.900 0.900 peak 635 weight 0.10000E+01 volume 0.13744E-02 ppm1 4.190 ppm2 0.867 CV 1 OR { 635} (( segid "A " and resid 8 and name HA )) (( segid "B " and resid 15 and name HG21)) ASSI { 636} (( segid "B " and resid 15 and name HA )) (( segid "B " and resid 15 and name HD11)) 3.700 1.700 1.700 peak 636 weight 0.10000E+01 volume 0.57053E-03 ppm1 4.204 ppm2 0.808 CV 1 OR { 636} (( segid "A " and resid 8 and name HA )) (( segid "B " and resid 15 and name HD11)) ASSI { 656} (( segid "A " and resid 4 and name HA )) (( segid "A " and resid 7 and name HB1 )) 3.100 1.200 1.200 peak 656 weight 0.10000E+01 volume 0.41492E-03 ppm1 4.029 ppm2 3.165 CV 1 OR { 656} (( segid "B " and resid 17 and name HA )) (( segid "B " and resid 20 and name HD2 )) ASSI { 657} (( segid "B " and resid 17 and name HA )) (( segid "B " and resid 20 and name HD2 )) 3.700 1.700 1.700 peak 657 weight 0.10000E+01 volume 0.44085E-03 ppm1 4.033 ppm2 3.198 CV 1 OR { 657} (( segid "B " and resid 17 and name HA )) (( segid "B " and resid 18 and name HB1 )) ASSI { 659} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 26 and name HB1 )) 3.000 1.100 1.100 peak 659 weight 0.10000E+01 volume 0.19839E-02 ppm1 4.560 ppm2 3.193 CV 1 OR { 659} (( segid "B " and resid 23 and name HA )) (( segid "B " and resid 23 and name HB1 )) OR { 659} (( segid "A " and resid 6 and name HA )) (( segid "A " and resid 9 and name HD1 )) ASSI { 660} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 26 and name HB2 )) 3.000 1.100 1.100 peak 660 weight 0.10000E+01 volume 0.11540E-02 ppm1 4.563 ppm2 3.072 CV 1 OR { 660} (( segid "B " and resid 23 and name HA )) (( segid "B " and resid 23 and name HB2 )) ASSI { 665} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 17 and name HG21)) 4.500 2.500 1.500 peak 665 weight 0.10000E+01 volume 0.37602E-03 ppm1 3.330 ppm2 0.835 CV 1 OR { 665} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 17 and name HD11)) OR { 665} (( segid "A " and resid 2 and name HB2 )) (( segid "B " and resid 15 and name HD11)) ASSI { 666} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 14 and name HD11)) 4.400 2.500 1.600 peak 666 weight 0.10000E+01 volume 0.51864E-03 ppm1 3.311 ppm2 0.920 CV 1 OR { 666} (( segid "A " and resid 2 and name HB2 )) ( segid "A " and resid 4 and name HG1%) ASSI { 667} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 17 and name HG21)) 4.200 2.200 1.800 peak 667 weight 0.10000E+01 volume 0.44085E-03 ppm1 3.311 ppm2 0.897 CV 1 OR { 667} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 14 and name HD11)) ASSI { 668} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 17 and name HG21)) 4.200 2.200 1.800 peak 668 weight 0.10000E+01 volume 0.44085E-03 ppm1 3.263 ppm2 0.903 CV 1 OR { 668} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 14 and name HD11)) OR { 668} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 17 and name HG21)) OR { 668} (( segid "A " and resid 2 and name HB2 )) ( segid "A " and resid 4 and name HG1%) ASSI { 671} (( segid "A " and resid 7 and name HB1 )) (( segid "B " and resid 15 and name HG21)) 3.300 1.400 1.400 peak 671 weight 0.10000E+01 volume 0.50568E-03 ppm1 3.091 ppm2 0.909 CV 1 OR { 671} (( segid "A " and resid 7 and name HB1 )) ( segid "A " and resid 4 and name HG1%) ASSI { 672} (( segid "A " and resid 3 and name HE1 )) (( segid "B " and resid 15 and name HG21)) 5.000 3.100 1.000 peak 672 weight 0.10000E+01 volume 0.45381E-03 ppm1 2.891 ppm2 0.857 CV 1 OR { 672} (( segid "A " and resid 10 and name HB1 )) (( segid "B " and resid 15 and name HG21)) ASSI { 676} (( segid "B " and resid 12 and name HE2 )) (( segid "B " and resid 12 and name HG2 )) 2.300 0.600 0.600 peak 676 weight 0.10000E+01 volume 0.56663E-02 ppm1 2.998 ppm2 1.393 CV 1 OR { 676} (( segid "A " and resid 8 and name HE2 )) (( segid "A " and resid 8 and name HG1 )) ASSI { 680} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 25 and name HG2 )) 3.300 1.400 1.400 peak 680 weight 0.10000E+01 volume 0.16078E-02 ppm1 3.170 ppm2 1.437 CV 1 OR { 680} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 24 and name HB1 )) OR { 680} (( segid "A " and resid 7 and name HB1 )) (( segid "B " and resid 12 and name HG2 )) ASSI { 682} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 34 and name HG2 )) 3.500 1.500 1.500 peak 682 weight 0.10000E+01 volume 0.12966E-02 ppm1 3.173 ppm2 1.312 CV 1 OR { 682} (( segid "A " and resid 11 and name HE )) (( segid "A " and resid 8 and name HG1 )) ASSI { 683} (( segid "A " and resid 7 and name HB1 )) (( segid "A " and resid 8 and name HG1 )) 3.800 1.800 1.800 peak 683 weight 0.10000E+01 volume 0.63536E-03 ppm1 3.148 ppm2 1.341 CV 1 OR { 683} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 31 and name HB1 )) OR { 683} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 34 and name HG2 )) OR { 683} (( segid "B " and resid 30 and name HD2 )) (( segid "B " and resid 31 and name HB1 )) ASSI { 684} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 31 and name HB1 )) 3.200 1.300 1.300 peak 684 weight 0.10000E+01 volume 0.16986E-02 ppm1 3.202 ppm2 1.392 CV 1 OR { 684} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 25 and name HG2 )) OR { 684} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 24 and name HB1 )) OR { 684} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 21 and name HG1 )) ASSI { 686} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 31 and name HB1 )) 3.500 1.500 1.500 peak 686 weight 0.10000E+01 volume 0.10114E-02 ppm1 3.206 ppm2 1.352 CV 1 OR { 686} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 21 and name HG1 )) OR { 686} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 34 and name HG2 )) ASSI { 687} (( segid "B " and resid 26 and name HB2 )) (( segid "B " and resid 25 and name HG2 )) 4.700 2.700 1.300 peak 687 weight 0.10000E+01 volume 0.47975E-03 ppm1 3.081 ppm2 1.456 CV 1 OR { 687} (( segid "B " and resid 23 and name HB2 )) (( segid "B " and resid 24 and name HB1 )) OR { 687} (( segid "B " and resid 23 and name HB2 )) (( segid "B " and resid 25 and name HG2 )) OR { 687} (( segid "A " and resid 7 and name HB1 )) (( segid "B " and resid 12 and name HG2 )) ASSI { 688} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 14 and name HB2 )) 2.000 0.500 0.500 peak 688 weight 0.10000E+01 volume 0.14380E-01 ppm1 3.192 ppm2 1.624 CV 1 OR { 688} (( segid "A " and resid 9 and name HD1 )) (( segid "A " and resid 9 and name HG1 )) OR { 688} (( segid "A " and resid 11 and name HD1 )) (( segid "A " and resid 11 and name HG1 )) OR { 688} (( segid "B " and resid 20 and name HD2 )) (( segid "B " and resid 20 and name HG1 )) OR { 688} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 32 and name HG1 )) OR { 688} (( segid "A " and resid 9 and name HD2 )) (( segid "A " and resid 9 and name HG1 )) ASSI { 689} (( segid "A " and resid 7 and name HB1 )) (( segid "A " and resid 8 and name HD1 )) 4.200 2.200 1.800 peak 689 weight 0.10000E+01 volume 0.10892E-02 ppm1 3.107 ppm2 1.654 CV 1 OR { 689} (( segid "B " and resid 23 and name HB2 )) (( segid "B " and resid 25 and name HD2 )) OR { 689} (( segid "B " and resid 26 and name HB2 )) (( segid "B " and resid 25 and name HD2 )) ASSI { 690} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 30 and name HG1 )) 4.200 2.200 1.800 peak 690 weight 0.10000E+01 volume 0.90765E-03 ppm1 3.191 ppm2 1.538 CV 1 OR { 690} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 33 and name HB1 )) OR { 690} (( segid "A " and resid 11 and name HE )) (( segid "A " and resid 3 and name HD1 )) ASSI { 691} (( segid "B " and resid 12 and name HE2 )) (( segid "A " and resid 3 and name HD1 )) 3.600 1.700 1.700 peak 691 weight 0.10000E+01 volume 0.71316E-03 ppm1 2.957 ppm2 1.566 CV 1 OR { 691} (( segid "A " and resid 8 and name HE2 )) (( segid "A " and resid 9 and name HG1 )) OR { 691} (( segid "A " and resid 7 and name HB2 )) (( segid "A " and resid 3 and name HD1 )) ASSI { 692} (( segid "B " and resid 12 and name HE2 )) (( segid "A " and resid 3 and name HD1 )) 3.000 1.200 1.200 peak 692 weight 0.10000E+01 volume 0.17505E-02 ppm1 2.995 ppm2 1.556 CV 1 OR { 692} (( segid "A " and resid 7 and name HB2 )) (( segid "A " and resid 3 and name HD1 )) ASSI { 693} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 21 and name HG1 )) 4.700 2.800 1.300 peak 693 weight 0.10000E+01 volume 0.58350E-03 ppm1 3.303 ppm2 1.404 CV 1 OR { 693} (( segid "A " and resid 2 and name HB2 )) (( segid "B " and resid 12 and name HG2 )) ASSI { 707} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 24 and name HB1 )) 3.700 1.700 1.700 peak 707 weight 0.10000E+01 volume 0.79096E-03 ppm1 2.404 ppm2 1.386 CV 1 OR { 707} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 31 and name HB1 )) ASSI { 713} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 25 and name HD2 )) 4.000 2.000 2.000 peak 713 weight 0.10000E+01 volume 0.82986E-03 ppm1 2.422 ppm2 1.652 CV 1 OR { 713} (( segid "A " and resid 1 and name HG2 )) (( segid "B " and resid 14 and name HG )) OR { 713} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 32 and name HG1 )) OR { 713} (( segid "A " and resid 1 and name HG2 )) (( segid "A " and resid 8 and name HD1 )) ASSI { 714} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 25 and name HD2 )) 3.900 1.900 1.900 peak 714 weight 0.10000E+01 volume 0.89469E-03 ppm1 2.360 ppm2 1.659 CV 1 OR { 714} (( segid "A " and resid 1 and name HG2 )) (( segid "B " and resid 14 and name HG )) OR { 714} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 32 and name HG1 )) OR { 714} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 32 and name HG1 )) OR { 714} (( segid "A " and resid 1 and name HG2 )) (( segid "A " and resid 8 and name HD1 )) ASSI { 715} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 25 and name HD2 )) 4.000 2.000 2.000 peak 715 weight 0.10000E+01 volume 0.82986E-03 ppm1 2.365 ppm2 1.621 CV 1 OR { 715} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 30 and name HG1 )) OR { 715} (( segid "A " and resid 1 and name HG2 )) (( segid "B " and resid 14 and name HG )) OR { 715} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 30 and name HG1 )) OR { 715} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 32 and name HG1 )) OR { 715} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 32 and name HG1 )) OR { 715} (( segid "A " and resid 1 and name HG2 )) (( segid "A " and resid 8 and name HD1 )) ASSI { 720} (( segid "B " and resid 27 and name HG2 )) (( segid "B " and resid 30 and name HB1 )) 3.900 1.900 1.900 peak 720 weight 0.10000E+01 volume 0.72613E-03 ppm1 2.284 ppm2 1.757 CV 1 OR { 720} (( segid "B " and resid 27 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) OR { 720} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) OR { 720} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 30 and name HB1 )) ASSI { 721} (( segid "B " and resid 22 and name HG1 )) (( segid "A " and resid 8 and name HB1 )) 3.000 1.100 1.100 peak 721 weight 0.10000E+01 volume 0.79096E-03 ppm1 2.277 ppm2 1.825 CV 1 OR { 721} (( segid "B " and resid 27 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) ASSI { 722} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 32 and name HB2 )) 3.800 1.800 1.800 peak 722 weight 0.10000E+01 volume 0.71316E-03 ppm1 2.288 ppm2 1.811 CV 1 OR { 722} (( segid "B " and resid 27 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) OR { 722} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) ASSI { 725} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) 4.000 2.000 2.000 peak 725 weight 0.10000E+01 volume 0.75206E-03 ppm1 2.371 ppm2 1.822 CV 1 OR { 725} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 32 and name HB1 )) OR { 725} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 30 and name HB2 )) OR { 725} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) OR { 725} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 32 and name HB1 )) ASSI { 726} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 32 and name HB2 )) 4.000 2.000 2.000 peak 726 weight 0.10000E+01 volume 0.70019E-03 ppm1 2.403 ppm2 1.813 CV 1 OR { 726} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 30 and name HB2 )) OR { 726} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) OR { 726} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 32 and name HB1 )) ASSI { 727} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 30 and name HB1 )) 4.100 2.100 1.900 peak 727 weight 0.10000E+01 volume 0.73909E-03 ppm1 2.412 ppm2 1.768 CV 1 OR { 727} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 32 and name HB2 )) OR { 727} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 30 and name HB2 )) OR { 727} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 30 and name HB1 )) OR { 727} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) ASSI { 728} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 32 and name HB2 )) 3.900 1.900 1.900 peak 728 weight 0.10000E+01 volume 0.88172E-03 ppm1 2.357 ppm2 1.770 CV 1 OR { 728} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 30 and name HB2 )) OR { 728} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 30 and name HB1 )) OR { 728} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 32 and name HB2 )) OR { 728} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 30 and name HB1 )) OR { 728} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 30 and name HB2 )) ASSI { 737} (( segid "B " and resid 19 and name HB2 )) (( segid "A " and resid 11 and name HG1 )) 4.200 2.200 1.800 peak 737 weight 0.10000E+01 volume 0.54460E-03 ppm1 2.762 ppm2 1.673 CV 1 OR { 737} (( segid "B " and resid 19 and name HB2 )) (( segid "B " and resid 20 and name HG1 )) OR { 737} (( segid "A " and resid 10 and name HB2 )) (( segid "A " and resid 11 and name HG1 )) ASSI { 738} (( segid "A " and resid 10 and name HB2 )) (( segid "A " and resid 9 and name HG1 )) 3.900 1.900 1.900 peak 738 weight 0.10000E+01 volume 0.53161E-03 ppm1 2.785 ppm2 1.645 CV 1 OR { 738} (( segid "B " and resid 19 and name HB2 )) (( segid "A " and resid 11 and name HG1 )) ASSI { 740} (( segid "B " and resid 19 and name HB1 )) (( segid "A " and resid 11 and name HG1 )) 3.900 1.900 1.900 peak 740 weight 0.10000E+01 volume 0.49271E-03 ppm1 2.715 ppm2 1.641 CV 1 OR { 740} (( segid "B " and resid 19 and name HB1 )) (( segid "B " and resid 20 and name HG1 )) ASSI { 748} (( segid "B " and resid 22 and name HG1 )) (( segid "B " and resid 22 and name HB2 )) 3.100 1.200 1.200 peak 748 weight 0.10000E+01 volume 0.93358E-03 ppm1 2.208 ppm2 1.934 CV 1 OR { 748} (( segid "B " and resid 22 and name HG2 )) (( segid "B " and resid 22 and name HB2 )) OR { 748} (( segid "B " and resid 27 and name HG2 )) (( segid "B " and resid 27 and name HB1 )) ASSI { 750} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 28 and name HB1 )) 3.100 1.200 1.200 peak 750 weight 0.10000E+01 volume 0.22432E-02 ppm1 2.366 ppm2 2.102 CV 1 OR { 750} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 29 and name HB2 )) OR { 750} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 28 and name HB1 )) ASSI { 751} (( segid "A " and resid 1 and name HG2 )) (( segid "A " and resid 1 and name HE1 )) 3.400 1.500 1.500 peak 751 weight 0.10000E+01 volume 0.19579E-02 ppm1 2.423 ppm2 2.087 CV 1 OR { 751} (( segid "A " and resid 1 and name HG2 )) (( segid "A " and resid 4 and name HB )) ASSI { 755} (( segid "A " and resid 8 and name HD1 )) ( segid "A " and resid 4 and name HG2%) 3.200 1.300 1.300 peak 755 weight 0.10000E+01 volume 0.26841E-02 ppm1 1.694 ppm2 0.977 CV 1 OR { 755} (( segid "A " and resid 8 and name HD1 )) ( segid "A " and resid 4 and name HG1%) OR { 755} (( segid "A " and resid 3 and name HB2 )) ( segid "A " and resid 4 and name HG2%) ASSI { 756} (( segid "A " and resid 8 and name HD1 )) ( segid "A " and resid 4 and name HG2%) 3.100 1.200 1.200 peak 756 weight 0.10000E+01 volume 0.30731E-02 ppm1 1.693 ppm2 0.944 CV 1 OR { 756} (( segid "B " and resid 12 and name HD2 )) (( segid "B " and resid 13 and name HD11)) OR { 756} (( segid "A " and resid 8 and name HD1 )) ( segid "A " and resid 4 and name HG1%) ASSI { 758} (( segid "B " and resid 14 and name HB2 )) (( segid "B " and resid 14 and name HD11)) 2.300 0.700 0.700 peak 758 weight 0.10000E+01 volume 0.65998E-02 ppm1 1.619 ppm2 0.955 CV 1 OR { 758} (( segid "B " and resid 14 and name HG )) (( segid "B " and resid 14 and name HD21)) OR { 758} (( segid "B " and resid 14 and name HG )) (( segid "B " and resid 14 and name HD11)) OR { 758} (( segid "B " and resid 13 and name HG )) (( segid "B " and resid 13 and name HD11)) OR { 758} (( segid "B " and resid 13 and name HB2 )) (( segid "B " and resid 13 and name HD11)) OR { 758} (( segid "B " and resid 14 and name HB2 )) (( segid "B " and resid 14 and name HD21)) ASSI { 759} (( segid "B " and resid 14 and name HB2 )) (( segid "B " and resid 14 and name HD11)) 2.300 0.700 0.700 peak 759 weight 0.10000E+01 volume 0.59127E-02 ppm1 1.619 ppm2 0.917 CV 1 OR { 759} (( segid "B " and resid 14 and name HG )) (( segid "B " and resid 14 and name HD21)) OR { 759} (( segid "B " and resid 14 and name HG )) (( segid "B " and resid 14 and name HD11)) OR { 759} (( segid "B " and resid 13 and name HG )) (( segid "B " and resid 13 and name HD11)) OR { 759} (( segid "B " and resid 14 and name HB2 )) (( segid "B " and resid 14 and name HD21)) ASSI { 761} (( segid "B " and resid 15 and name HB )) (( segid "B " and resid 15 and name HG21)) 2.800 1.000 1.000 peak 761 weight 0.10000E+01 volume 0.32805E-02 ppm1 1.828 ppm2 0.865 CV 1 OR { 761} (( segid "B " and resid 17 and name HB )) (( segid "B " and resid 17 and name HG21)) ASSI { 762} (( segid "A " and resid 1 and name HB2 )) ( segid "A " and resid 4 and name HG1%) 2.500 0.800 0.800 peak 762 weight 0.10000E+01 volume 0.24506E-02 ppm1 1.880 ppm2 0.908 CV 1 OR { 762} (( segid "B " and resid 17 and name HB )) (( segid "B " and resid 17 and name HG21)) ASSI { 764} (( segid "A " and resid 8 and name HB1 )) ( segid "A " and resid 4 and name HG2%) 4.100 2.100 1.900 peak 764 weight 0.10000E+01 volume 0.97248E-03 ppm1 1.804 ppm2 0.944 CV 1 OR { 764} (( segid "A " and resid 8 and name HB1 )) ( segid "A " and resid 4 and name HG1%) OR { 764} (( segid "B " and resid 15 and name HB )) ( segid "A " and resid 4 and name HG2%) ASSI { 765} (( segid "B " and resid 21 and name HD2 )) (( segid "B " and resid 17 and name HG21)) 3.200 1.300 1.300 peak 765 weight 0.10000E+01 volume 0.13355E-02 ppm1 1.698 ppm2 0.912 CV 1 OR { 765} (( segid "B " and resid 12 and name HD2 )) (( segid "B " and resid 13 and name HD11)) OR { 765} (( segid "A " and resid 8 and name HD1 )) ( segid "A " and resid 4 and name HG1%) OR { 765} (( segid "A " and resid 3 and name HB2 )) ( segid "A " and resid 4 and name HG1%) ASSI { 766} (( segid "B " and resid 21 and name HD2 )) (( segid "B " and resid 17 and name HG21)) 3.300 1.400 1.400 peak 766 weight 0.10000E+01 volume 0.11151E-02 ppm1 1.726 ppm2 0.899 CV 1 OR { 766} (( segid "B " and resid 12 and name HD2 )) (( segid "B " and resid 13 and name HD11)) ASSI { 767} (( segid "B " and resid 21 and name HD2 )) (( segid "B " and resid 17 and name HG21)) 3.200 1.300 1.300 peak 767 weight 0.10000E+01 volume 0.15171E-02 ppm1 1.694 ppm2 0.869 CV 1 OR { 767} (( segid "B " and resid 12 and name HD2 )) (( segid "B " and resid 13 and name HD11)) OR { 767} (( segid "A " and resid 11 and name HG1 )) (( segid "B " and resid 15 and name HG21)) ASSI { 768} (( segid "B " and resid 21 and name HD2 )) (( segid "B " and resid 17 and name HG21)) 3.200 1.300 1.300 peak 768 weight 0.10000E+01 volume 0.10762E-02 ppm1 1.712 ppm2 0.831 CV 1 OR { 768} (( segid "B " and resid 21 and name HD2 )) (( segid "B " and resid 17 and name HD11)) OR { 768} (( segid "B " and resid 20 and name HG1 )) (( segid "B " and resid 17 and name HD11)) OR { 768} (( segid "A " and resid 3 and name HB2 )) (( segid "B " and resid 15 and name HD11)) OR { 768} (( segid "A " and resid 3 and name HB2 )) (( segid "B " and resid 15 and name HG21)) ASSI { 769} (( segid "B " and resid 14 and name HG )) (( segid "B " and resid 15 and name HD11)) 3.600 1.600 1.600 peak 769 weight 0.10000E+01 volume 0.18023E-02 ppm1 1.625 ppm2 0.845 CV 1 OR { 769} (( segid "B " and resid 14 and name HG )) (( segid "B " and resid 15 and name HG21)) OR { 769} (( segid "B " and resid 14 and name HB2 )) (( segid "B " and resid 15 and name HD11)) OR { 769} (( segid "A " and resid 11 and name HG1 )) (( segid "B " and resid 15 and name HG21)) ASSI { 771} (( segid "B " and resid 12 and name HG2 )) (( segid "B " and resid 13 and name HD11)) 2.600 0.800 0.800 peak 771 weight 0.10000E+01 volume 0.21654E-02 ppm1 1.392 ppm2 0.862 CV 1 OR { 771} (( segid "B " and resid 21 and name HG1 )) (( segid "B " and resid 17 and name HG21)) OR { 771} (( segid "A " and resid 8 and name HG1 )) (( segid "B " and resid 15 and name HG21)) ASSI { 772} (( segid "B " and resid 21 and name HG1 )) (( segid "B " and resid 17 and name HG21)) 2.900 1.100 1.100 peak 772 weight 0.10000E+01 volume 0.19968E-02 ppm1 1.399 ppm2 0.839 CV 1 OR { 772} (( segid "B " and resid 21 and name HG1 )) (( segid "B " and resid 17 and name HD11)) OR { 772} (( segid "A " and resid 8 and name HG1 )) (( segid "B " and resid 15 and name HD11)) OR { 772} (( segid "B " and resid 12 and name HG2 )) (( segid "B " and resid 15 and name HD11)) ASSI { 777} (( segid "B " and resid 12 and name HG2 )) (( segid "B " and resid 13 and name HD11)) 2.900 1.000 1.000 peak 777 weight 0.10000E+01 volume 0.12059E-02 ppm1 1.442 ppm2 0.955 CV 1 OR { 777} (( segid "B " and resid 12 and name HG2 )) (( segid "B " and resid 14 and name HD21)) ASSI { 779} (( segid "B " and resid 21 and name HG1 )) (( segid "B " and resid 17 and name HD11)) 3.200 1.300 1.300 peak 779 weight 0.10000E+01 volume 0.68723E-03 ppm1 1.414 ppm2 0.796 CV 1 OR { 779} (( segid "B " and resid 12 and name HG2 )) (( segid "B " and resid 15 and name HD11)) ASSI { 784} ( segid "B " and resid 15 and name HG1%) (( segid "B " and resid 15 and name HD11)) 2.700 0.900 0.900 peak 784 weight 0.10000E+01 volume 0.18801E-02 ppm1 1.143 ppm2 0.842 CV 1 OR { 784} ( segid "B " and resid 15 and name HG1%) (( segid "B " and resid 15 and name HG21)) OR { 784} ( segid "B " and resid 17 and name HG1%) (( segid "B " and resid 17 and name HG21)) ASSI { 785} ( segid "B " and resid 15 and name HG1%) (( segid "B " and resid 15 and name HG21)) 2.800 1.000 1.000 peak 785 weight 0.10000E+01 volume 0.23599E-02 ppm1 1.148 ppm2 0.864 CV 1 OR { 785} ( segid "B " and resid 17 and name HG1%) (( segid "B " and resid 17 and name HG21)) ASSI { 789} (( segid "B " and resid 17 and name HB )) ( segid "B " and resid 17 and name HG1%) 2.900 1.100 1.100 peak 789 weight 0.10000E+01 volume 0.10632E-02 ppm1 1.823 ppm2 1.142 CV 1 OR { 789} (( segid "B " and resid 15 and name HB )) ( segid "B " and resid 15 and name HG1%) ASSI { 793} (( segid "B " and resid 21 and name HD2 )) (( segid "B " and resid 21 and name HG1 )) 2.100 0.500 0.500 peak 793 weight 0.10000E+01 volume 0.11190E-01 ppm1 1.686 ppm2 1.356 CV 1 OR { 793} (( segid "A " and resid 8 and name HD1 )) (( segid "A " and resid 8 and name HG1 )) OR { 793} (( segid "B " and resid 34 and name HB2 )) (( segid "B " and resid 34 and name HG2 )) ASSI { 794} (( segid "B " and resid 21 and name HD2 )) (( segid "B " and resid 21 and name HG1 )) 2.000 0.500 0.500 peak 794 weight 0.10000E+01 volume 0.14535E-01 ppm1 1.686 ppm2 1.394 CV 1 OR { 794} (( segid "A " and resid 8 and name HD1 )) (( segid "A " and resid 8 and name HG1 )) OR { 794} (( segid "B " and resid 12 and name HD2 )) (( segid "B " and resid 12 and name HG2 )) ASSI { 795} (( segid "A " and resid 8 and name HB1 )) (( segid "A " and resid 8 and name HG1 )) 2.300 0.600 0.600 peak 795 weight 0.10000E+01 volume 0.68204E-02 ppm1 1.801 ppm2 1.395 CV 1 OR { 795} (( segid "B " and resid 25 and name HB1 )) (( segid "B " and resid 25 and name HG2 )) OR { 795} (( segid "B " and resid 21 and name HB2 )) (( segid "B " and resid 21 and name HG1 )) ASSI { 796} (( segid "A " and resid 8 and name HB1 )) (( segid "A " and resid 8 and name HG1 )) 2.300 0.600 0.600 peak 796 weight 0.10000E+01 volume 0.61591E-02 ppm1 1.797 ppm2 1.348 CV 1 OR { 796} (( segid "B " and resid 21 and name HB2 )) (( segid "B " and resid 21 and name HG1 )) ASSI { 803} (( segid "A " and resid 4 and name HB )) (( segid "A " and resid 8 and name HG1 )) 4.100 2.100 1.900 peak 803 weight 0.10000E+01 volume 0.98545E-03 ppm1 2.093 ppm2 1.400 CV 1 OR { 803} (( segid "A " and resid 4 and name HB )) (( segid "B " and resid 12 and name HG2 )) ASSI { 804} (( segid "B " and resid 27 and name HB2 )) (( segid "B " and resid 24 and name HB1 )) 3.500 1.600 1.600 peak 804 weight 0.10000E+01 volume 0.72613E-03 ppm1 1.996 ppm2 1.396 CV 1 OR { 804} (( segid "B " and resid 22 and name HB2 )) (( segid "A " and resid 8 and name HG1 )) ASSI { 805} (( segid "A " and resid 4 and name HB )) (( segid "B " and resid 14 and name HG )) 3.500 1.500 1.500 peak 805 weight 0.10000E+01 volume 0.15041E-02 ppm1 2.084 ppm2 1.666 CV 1 OR { 805} (( segid "A " and resid 4 and name HB )) (( segid "A " and resid 3 and name HB2 )) OR { 805} (( segid "A " and resid 4 and name HB )) (( segid "A " and resid 8 and name HD1 )) OR { 805} (( segid "A " and resid 1 and name HE1 )) (( segid "B " and resid 14 and name HG )) OR { 805} (( segid "B " and resid 28 and name HB1 )) (( segid "B " and resid 32 and name HG1 )) ASSI { 806} (( segid "B " and resid 29 and name HB2 )) (( segid "B " and resid 30 and name HB1 )) 3.800 1.800 1.800 peak 806 weight 0.10000E+01 volume 0.10114E-02 ppm1 2.092 ppm2 1.712 CV 1 OR { 806} (( segid "A " and resid 4 and name HB )) (( segid "A " and resid 3 and name HB2 )) OR { 806} (( segid "A " and resid 4 and name HB )) (( segid "A " and resid 8 and name HD1 )) ASSI { 807} (( segid "B " and resid 29 and name HB2 )) (( segid "B " and resid 30 and name HB2 )) 3.800 1.800 1.800 peak 807 weight 0.10000E+01 volume 0.73909E-03 ppm1 2.106 ppm2 1.763 CV 1 OR { 807} (( segid "A " and resid 4 and name HB )) (( segid "A " and resid 8 and name HB1 )) OR { 807} (( segid "B " and resid 29 and name HB2 )) (( segid "B " and resid 30 and name HB1 )) OR { 807} (( segid "B " and resid 28 and name HB1 )) (( segid "B " and resid 32 and name HB2 )) OR { 807} (( segid "B " and resid 29 and name HB2 )) (( segid "B " and resid 32 and name HB2 )) ASSI { 809} (( segid "A " and resid 4 and name HB )) (( segid "A " and resid 1 and name HB2 )) 2.800 1.000 1.000 peak 809 weight 0.10000E+01 volume 0.10892E-02 ppm1 2.086 ppm2 1.886 CV 1 OR { 809} (( segid "A " and resid 1 and name HE1 )) (( segid "A " and resid 1 and name HB2 )) ASSI { 812} (( segid "B " and resid 27 and name HG1 )) (( segid "B " and resid 27 and name HB2 )) 3.300 1.400 1.400 peak 812 weight 0.10000E+01 volume 0.71316E-03 ppm1 2.427 ppm2 2.008 CV 1 OR { 812} (( segid "A " and resid 1 and name HG2 )) (( segid "A " and resid 1 and name HE1 )) ASSI { 813} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 22 and name HG1 )) 3.700 1.700 1.700 peak 813 weight 0.10000E+01 volume 0.92062E-03 ppm1 3.199 ppm2 2.278 CV 1 OR { 813} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 27 and name HG2 )) OR { 813} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 27 and name HG2 )) ASSI { 814} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 22 and name HG1 )) 3.800 1.800 1.800 peak 814 weight 0.10000E+01 volume 0.71316E-03 ppm1 3.190 ppm2 2.206 CV 1 OR { 814} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 27 and name HG2 )) OR { 814} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 27 and name HG2 )) OR { 814} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 22 and name HG2 )) ASSI { 815} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 27 and name HG1 )) 4.000 2.000 2.000 peak 815 weight 0.10000E+01 volume 0.79096E-03 ppm1 3.171 ppm2 2.355 CV 1 OR { 815} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 29 and name HG2 )) OR { 815} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 28 and name HG2 )) ASSI { 819} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 27 and name HG1 )) 3.900 1.900 1.900 peak 819 weight 0.10000E+01 volume 0.76503E-03 ppm1 3.209 ppm2 2.422 CV 1 OR { 819} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 28 and name HG2 )) OR { 819} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 27 and name HG1 )) ASSI { 821} (( segid "B " and resid 26 and name HB2 )) (( segid "B " and resid 28 and name HG2 )) 4.400 2.400 1.600 peak 821 weight 0.10000E+01 volume 0.57053E-03 ppm1 3.114 ppm2 2.411 CV 1 OR { 821} (( segid "B " and resid 23 and name HB2 )) (( segid "B " and resid 27 and name HG1 )) OR { 821} (( segid "B " and resid 26 and name HB2 )) (( segid "B " and resid 27 and name HG1 )) ASSI { 825} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 29 and name HB2 )) 3.700 1.700 1.700 peak 825 weight 0.10000E+01 volume 0.99842E-03 ppm1 3.178 ppm2 2.082 CV 1 OR { 825} (( segid "A " and resid 11 and name HE )) (( segid "A " and resid 4 and name HB )) ASSI { 826} (( segid "B " and resid 26 and name HB2 )) (( segid "B " and resid 29 and name HB2 )) 3.700 1.700 1.700 peak 826 weight 0.10000E+01 volume 0.77799E-03 ppm1 3.111 ppm2 2.083 CV 1 OR { 826} (( segid "A " and resid 7 and name HB1 )) (( segid "A " and resid 4 and name HB )) ASSI { 827} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 29 and name HB2 )) 3.800 1.800 1.800 peak 827 weight 0.10000E+01 volume 0.11151E-02 ppm1 3.179 ppm2 2.050 CV 1 OR { 827} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 27 and name HB2 )) OR { 827} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 27 and name HB2 )) ASSI { 828} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 22 and name HB2 )) 4.100 2.100 1.900 peak 828 weight 0.10000E+01 volume 0.59647E-03 ppm1 3.210 ppm2 2.001 CV 1 OR { 828} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 27 and name HB2 )) OR { 828} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 22 and name HB2 )) OR { 828} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 27 and name HB2 )) ASSI { 829} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 22 and name HB2 )) 4.200 2.200 1.800 peak 829 weight 0.10000E+01 volume 0.57053E-03 ppm1 3.180 ppm2 1.995 CV 1 OR { 829} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 27 and name HB2 )) OR { 829} (( segid "B " and resid 18 and name HB1 )) (( segid "B " and resid 22 and name HB2 )) OR { 829} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 27 and name HB2 )) OR { 829} (( segid "B " and resid 23 and name HB1 )) (( segid "B " and resid 27 and name HB1 )) OR { 829} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 27 and name HB1 )) ASSI { 830} (( segid "B " and resid 26 and name HB2 )) (( segid "B " and resid 29 and name HB2 )) 3.800 1.800 1.800 peak 830 weight 0.10000E+01 volume 0.80392E-03 ppm1 3.136 ppm2 2.051 CV 1 OR { 830} (( segid "A " and resid 7 and name HB1 )) (( segid "A " and resid 4 and name HB )) OR { 830} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 29 and name HB2 )) OR { 830} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 27 and name HB2 )) ASSI { 839} (( segid "B " and resid 12 and name HE2 )) (( segid "B " and resid 12 and name HB2 )) 4.300 2.300 1.700 peak 839 weight 0.10000E+01 volume 0.60943E-03 ppm1 2.960 ppm2 1.947 CV 1 OR { 839} (( segid "A " and resid 8 and name HE2 )) (( segid "B " and resid 22 and name HB2 )) ASSI { 842} (( segid "A " and resid 8 and name HE2 )) (( segid "A " and resid 9 and name HB1 )) 4.300 2.400 1.700 peak 842 weight 0.10000E+01 volume 0.59647E-03 ppm1 2.961 ppm2 1.868 CV 1 OR { 842} (( segid "B " and resid 12 and name HE2 )) (( segid "B " and resid 12 and name HB2 )) ASSI { 843} (( segid "A " and resid 8 and name HE2 )) (( segid "A " and resid 9 and name HB1 )) 3.200 1.300 1.300 peak 843 weight 0.10000E+01 volume 0.32415E-02 ppm1 2.998 ppm2 1.800 CV 1 OR { 843} (( segid "A " and resid 8 and name HE2 )) (( segid "A " and resid 8 and name HB1 )) ASSI { 844} (( segid "A " and resid 11 and name HE )) (( segid "A " and resid 11 and name HB2 )) 2.400 0.700 0.700 peak 844 weight 0.10000E+01 volume 0.49271E-02 ppm1 3.191 ppm2 1.839 CV 1 OR { 844} (( segid "A " and resid 9 and name HD2 )) (( segid "A " and resid 9 and name HB1 )) OR { 844} (( segid "A " and resid 11 and name HD1 )) (( segid "A " and resid 11 and name HB2 )) OR { 844} (( segid "A " and resid 9 and name HD1 )) (( segid "A " and resid 9 and name HB1 )) OR { 844} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 32 and name HB1 )) ASSI { 845} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 32 and name HB2 )) 2.300 0.700 0.700 peak 845 weight 0.10000E+01 volume 0.57183E-02 ppm1 3.194 ppm2 1.761 CV 1 OR { 845} (( segid "A " and resid 9 and name HD1 )) (( segid "A " and resid 9 and name HB2 )) OR { 845} (( segid "A " and resid 9 and name HD2 )) (( segid "A " and resid 9 and name HB2 )) ASSI { 846} (( segid "A " and resid 8 and name HE2 )) (( segid "A " and resid 8 and name HD1 )) 1.700 0.400 0.500 peak 846 weight 0.10000E+01 volume 0.21135E-01 ppm1 2.995 ppm2 1.689 CV 1 OR { 846} (( segid "B " and resid 12 and name HE2 )) (( segid "B " and resid 12 and name HD2 )) OR { 846} (( segid "A " and resid 8 and name HE2 )) (( segid "A " and resid 9 and name HB2 )) ASSI { 847} (( segid "A " and resid 8 and name HE2 )) (( segid "A " and resid 8 and name HD1 )) 2.200 0.600 0.600 peak 847 weight 0.10000E+01 volume 0.73648E-02 ppm1 2.958 ppm2 1.656 CV 1 OR { 847} (( segid "A " and resid 8 and name HE2 )) (( segid "A " and resid 9 and name HG1 )) ASSI { 849} (( segid "A " and resid 2 and name HB2 )) (( segid "A " and resid 3 and name HB2 )) 4.700 2.700 1.300 peak 849 weight 0.10000E+01 volume 0.58350E-03 ppm1 3.301 ppm2 1.746 CV 1 OR { 849} (( segid "B " and resid 35 and name HB2 )) (( segid "B " and resid 34 and name HB2 )) ASSI { 852} (( segid "B " and resid 18 and name HB1 )) ( segid "B " and resid 15 and name HG1%) 4.800 2.900 1.200 peak 852 weight 0.10000E+01 volume 0.50568E-03 ppm1 3.259 ppm2 1.146 CV 1 OR { 852} (( segid "B " and resid 18 and name HB1 )) ( segid "B " and resid 17 and name HG1%) OR { 852} (( segid "A " and resid 2 and name HB2 )) ( segid "B " and resid 15 and name HG1%) OR { 852} (( segid "B " and resid 18 and name HB2 )) ( segid "B " and resid 17 and name HG1%) ASSI { 857} (( segid "B " and resid 15 and name HB )) (( segid "A " and resid 3 and name HG2 )) 4.800 2.800 1.200 peak 857 weight 0.10000E+01 volume 0.51864E-03 ppm1 1.802 ppm2 1.091 CV 1 OR { 857} (( segid "A " and resid 8 and name HB1 )) (( segid "A " and resid 3 and name HG2 )) ASSI { 858} (( segid "B " and resid 12 and name HD2 )) ( segid "B " and resid 15 and name HG1%) 4.000 2.000 2.000 peak 858 weight 0.10000E+01 volume 0.10243E-02 ppm1 1.693 ppm2 1.205 CV 1 OR { 858} (( segid "B " and resid 20 and name HG1 )) ( segid "B " and resid 17 and name HG1%) OR { 858} (( segid "A " and resid 3 and name HB2 )) ( segid "B " and resid 15 and name HG1%) ASSI { 860} (( segid "A " and resid 8 and name HG1 )) (( segid "A " and resid 3 and name HG2 )) 4.600 2.700 1.400 peak 860 weight 0.10000E+01 volume 0.77799E-03 ppm1 1.388 ppm2 1.092 CV 1 OR { 860} (( segid "B " and resid 12 and name HG2 )) (( segid "A " and resid 3 and name HG2 )) ASSI { 872} (( segid "B " and resid 17 and name HA )) (( segid "B " and resid 17 and name HD11)) 3.400 1.500 1.500 peak 872 weight 0.10000E+01 volume 0.53161E-03 ppm1 4.042 ppm2 0.788 CV 1 OR { 872} (( segid "A " and resid 4 and name HA )) (( segid "B " and resid 15 and name HD11)) ASSI { 873} (( segid "B " and resid 22 and name HG1 )) (( segid "B " and resid 15 and name HG21)) 2.700 2.700 3.300 peak 873 weight 0.10000E+01 volume 0.55757E-03 ppm1 2.269 ppm2 0.878 CV 1 OR { 873} (( segid "B " and resid 22 and name HG1 )) (( segid "B " and resid 17 and name HG21)) ASSI { 883} (( segid "B " and resid 17 and name HB )) (( segid "B " and resid 17 and name HG21)) 3.400 1.400 1.400 peak 883 weight 0.10000E+01 volume 0.11410E-02 ppm1 1.871 ppm2 0.835 CV 1 OR { 883} (( segid "B " and resid 20 and name HB2 )) (( segid "B " and resid 17 and name HD11)) OR { 883} (( segid "B " and resid 17 and name HB )) (( segid "B " and resid 17 and name HD11)) ASSI { 884} (( segid "B " and resid 17 and name HB )) (( segid "B " and resid 17 and name HD11)) 3.900 1.900 1.900 peak 884 weight 0.10000E+01 volume 0.75206E-03 ppm1 1.827 ppm2 0.804 CV 1 OR { 884} (( segid "B " and resid 15 and name HB )) (( segid "B " and resid 15 and name HD11)) ASSI { 885} (( segid "A " and resid 8 and name HB1 )) (( segid "B " and resid 15 and name HD11)) 4.300 2.300 1.700 peak 885 weight 0.10000E+01 volume 0.38898E-03 ppm1 1.772 ppm2 0.818 CV 1 OR { 885} (( segid "B " and resid 15 and name HB )) (( segid "B " and resid 15 and name HD11)) ASSI { 887} (( segid "B " and resid 14 and name HG )) (( segid "B " and resid 15 and name HD11)) 4.100 2.100 1.900 peak 887 weight 0.10000E+01 volume 0.71316E-03 ppm1 1.621 ppm2 0.806 CV 1 OR { 887} (( segid "B " and resid 20 and name HG1 )) (( segid "B " and resid 17 and name HD11)) ASSI { 888} (( segid "B " and resid 21 and name HD2 )) (( segid "B " and resid 17 and name HD11)) 3.700 1.700 1.700 peak 888 weight 0.10000E+01 volume 0.60943E-03 ppm1 1.727 ppm2 0.806 CV 1 OR { 888} (( segid "A " and resid 3 and name HB2 )) (( segid "B " and resid 15 and name HD11)) OR { 888} (( segid "B " and resid 12 and name HD2 )) (( segid "B " and resid 15 and name HD11)) ASSI { 894} (( segid "A " and resid 8 and name HD1 )) (( segid "A " and resid 8 and name HG1 )) 2.400 0.700 0.700 peak 894 weight 0.10000E+01 volume 0.31248E-02 ppm1 1.641 ppm2 1.307 CV 1 OR { 894} (( segid "B " and resid 34 and name HD1 )) (( segid "B " and resid 34 and name HG2 )) ASSI { 900} (( segid "A " and resid 3 and name HD1 )) (( segid "B " and resid 12 and name HG2 )) 3.600 1.600 1.600 peak 900 weight 0.10000E+01 volume 0.18542E-02 ppm1 1.558 ppm2 1.413 CV 1 OR { 900} (( segid "B " and resid 30 and name HG1 )) (( segid "B " and resid 31 and name HB1 )) OR { 900} (( segid "B " and resid 13 and name HG )) (( segid "B " and resid 12 and name HG2 )) ASSI { 901} (( segid "B " and resid 14 and name HG )) (( segid "B " and resid 12 and name HG2 )) 3.700 1.700 1.700 peak 901 weight 0.10000E+01 volume 0.10243E-02 ppm1 1.627 ppm2 1.463 CV 1 OR { 901} (( segid "B " and resid 13 and name HG )) (( segid "B " and resid 12 and name HG2 )) OR { 901} (( segid "B " and resid 13 and name HB2 )) (( segid "B " and resid 12 and name HG2 )) OR { 901} (( segid "B " and resid 32 and name HG1 )) (( segid "B " and resid 33 and name HB1 )) OR { 901} (( segid "B " and resid 25 and name HD2 )) (( segid "B " and resid 24 and name HB1 )) ASSI { 904} (( segid "B " and resid 32 and name HB1 )) (( segid "B " and resid 32 and name HG1 )) 2.200 0.600 0.600 peak 904 weight 0.10000E+01 volume 0.11034E-01 ppm1 1.839 ppm2 1.647 CV 1 OR { 904} (( segid "A " and resid 11 and name HB2 )) (( segid "A " and resid 11 and name HG1 )) OR { 904} (( segid "A " and resid 9 and name HB1 )) (( segid "A " and resid 9 and name HG1 )) OR { 904} (( segid "B " and resid 21 and name HB2 )) (( segid "B " and resid 21 and name HD2 )) ASSI { 905} (( segid "B " and resid 34 and name HB2 )) (( segid "B " and resid 34 and name HD1 )) 2.000 0.500 0.500 peak 905 weight 0.10000E+01 volume 0.14068E-01 ppm1 1.756 ppm2 1.631 CV 1 OR { 905} (( segid "A " and resid 9 and name HB2 )) (( segid "A " and resid 9 and name HG1 )) OR { 905} (( segid "B " and resid 32 and name HB2 )) (( segid "B " and resid 32 and name HG1 )) OR { 905} (( segid "B " and resid 25 and name HB1 )) (( segid "B " and resid 25 and name HD2 )) ASSI { 908} (( segid "B " and resid 27 and name HB2 )) (( segid "B " and resid 25 and name HD2 )) 4.000 2.000 2.000 peak 908 weight 0.10000E+01 volume 0.49271E-03 ppm1 1.999 ppm2 1.661 CV 1 OR { 908} (( segid "B " and resid 22 and name HB2 )) (( segid "B " and resid 25 and name HD2 )) ASSI { 909} (( segid "B " and resid 27 and name HB1 )) (( segid "B " and resid 30 and name HG1 )) 4.100 2.100 1.900 peak 909 weight 0.10000E+01 volume 0.55757E-03 ppm1 1.965 ppm2 1.599 CV 1 OR { 909} (( segid "B " and resid 22 and name HB2 )) (( segid "B " and resid 25 and name HD2 )) OR { 909} (( segid "B " and resid 27 and name HB1 )) (( segid "B " and resid 25 and name HD2 )) ASSI { 912} (( segid "A " and resid 4 and name HB )) (( segid "A " and resid 3 and name HD1 )) 4.300 2.300 1.700 peak 912 weight 0.10000E+01 volume 0.73909E-03 ppm1 2.079 ppm2 1.540 CV 1 OR { 912} (( segid "B " and resid 29 and name HB2 )) (( segid "B " and resid 33 and name HB1 )) ASSI { 913} (( segid "A " and resid 4 and name HB )) (( segid "A " and resid 3 and name HD1 )) 4.400 2.500 1.600 peak 913 weight 0.10000E+01 volume 0.75206E-03 ppm1 2.084 ppm2 1.585 CV 1 OR { 913} (( segid "A " and resid 4 and name HB )) (( segid "B " and resid 14 and name HG )) OR { 913} (( segid "B " and resid 29 and name HB2 )) (( segid "B " and resid 30 and name HG1 )) ASSI { 916} (( segid "B " and resid 27 and name HB1 )) (( segid "B " and resid 31 and name HB1 )) 3.600 1.600 1.600 peak 916 weight 0.10000E+01 volume 0.46678E-03 ppm1 1.958 ppm2 1.340 CV 1 OR { 916} (( segid "B " and resid 20 and name HB2 )) (( segid "B " and resid 21 and name HG1 )) OR { 916} (( segid "B " and resid 22 and name HB2 )) (( segid "A " and resid 8 and name HG1 )) ASSI { 920} (( segid "B " and resid 21 and name HD2 )) (( segid "B " and resid 17 and name HD11)) 4.100 2.100 1.900 peak 920 weight 0.10000E+01 volume 0.45381E-03 ppm1 1.680 ppm2 0.767 CV 1 OR { 920} (( segid "B " and resid 14 and name HB2 )) (( segid "B " and resid 15 and name HD11)) OR { 920} (( segid "B " and resid 20 and name HG1 )) (( segid "B " and resid 17 and name HD11)) OR { 920} (( segid "A " and resid 3 and name HB2 )) (( segid "B " and resid 15 and name HD11)) ASSI { 922} (( segid "A " and resid 7 and name HB2 )) (( segid "B " and resid 15 and name HD11)) 4.300 2.300 1.700 peak 922 weight 0.10000E+01 volume 0.53161E-03 ppm1 2.999 ppm2 0.814 CV 1 OR { 922} (( segid "B " and resid 12 and name HE2 )) (( segid "B " and resid 15 and name HD11)) ASSI { 927} (( segid "B " and resid 19 and name HB2 )) (( segid "B " and resid 21 and name HG1 )) 4.800 2.900 1.200 peak 927 weight 0.10000E+01 volume 0.38898E-03 ppm1 2.813 ppm2 1.403 CV 1 OR { 927} (( segid "A " and resid 10 and name HB1 )) (( segid "B " and resid 12 and name HG2 )) ASSI { 928} (( segid "B " and resid 19 and name HB1 )) (( segid "B " and resid 21 and name HG1 )) 4.300 2.300 1.700 peak 928 weight 0.10000E+01 volume 0.63536E-03 ppm1 2.737 ppm2 1.398 CV 1 OR { 928} (( segid "B " and resid 19 and name HB2 )) (( segid "B " and resid 21 and name HG1 )) OR { 928} (( segid "B " and resid 19 and name HB2 )) (( segid "A " and resid 8 and name HG1 )) ASSI { 934} (( segid "A " and resid 3 and name HE1 )) (( segid "B " and resid 15 and name HB )) 4.500 2.600 1.500 peak 934 weight 0.10000E+01 volume 0.44085E-03 ppm1 2.840 ppm2 1.831 CV 1 OR { 934} (( segid "A " and resid 10 and name HB1 )) (( segid "A " and resid 11 and name HB2 )) ASSI { 935} (( segid "B " and resid 23 and name HB2 )) (( segid "B " and resid 22 and name HB2 )) 3.900 1.900 1.900 peak 935 weight 0.10000E+01 volume 0.44085E-03 ppm1 3.090 ppm2 1.946 CV 1 OR { 935} (( segid "A " and resid 7 and name HB1 )) (( segid "A " and resid 11 and name HB1 )) OR { 935} (( segid "B " and resid 26 and name HB2 )) (( segid "B " and resid 27 and name HB1 )) OR { 935} (( segid "B " and resid 23 and name HB2 )) (( segid "B " and resid 27 and name HB1 )) ASSI { 936} (( segid "A " and resid 7 and name HB1 )) (( segid "A " and resid 11 and name HB1 )) 4.300 2.300 1.700 peak 936 weight 0.10000E+01 volume 0.53161E-03 ppm1 3.122 ppm2 1.911 CV 1 OR { 936} (( segid "B " and resid 26 and name HB2 )) (( segid "B " and resid 27 and name HB1 )) OR { 936} (( segid "B " and resid 26 and name HB1 )) (( segid "B " and resid 27 and name HB1 )) ASSI { 938} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 21 and name HB2 )) 4.300 2.300 1.700 peak 938 weight 0.10000E+01 volume 0.59647E-03 ppm1 3.302 ppm2 1.829 CV 1 OR { 938} (( segid "B " and resid 18 and name HB2 )) (( segid "A " and resid 8 and name HB1 )) OR { 938} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 15 and name HB )) OR { 938} (( segid "A " and resid 2 and name HB2 )) (( segid "B " and resid 15 and name HB )) ASSI { 941} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 22 and name HB2 )) 4.500 2.500 1.500 peak 941 weight 0.10000E+01 volume 0.41492E-03 ppm1 3.295 ppm2 1.958 CV 1 OR { 941} (( segid "B " and resid 18 and name HB2 )) (( segid "B " and resid 20 and name HB2 )) ASSI { 945} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 15 and name HB )) 3.700 1.700 1.700 peak 945 weight 0.10000E+01 volume 0.60943E-03 ppm1 4.365 ppm2 1.816 CV 1 OR { 945} (( segid "B " and resid 16 and name HA )) (( segid "B " and resid 15 and name HB )) OR { 945} (( segid "B " and resid 16 and name HA )) (( segid "B " and resid 17 and name HB )) ASSI { 956} (( segid "B " and resid 19 and name HA )) (( segid "A " and resid 8 and name HA )) 4.000 2.000 2.000 peak 956 weight 0.10000E+01 volume 0.47975E-03 ppm1 4.616 ppm2 4.237 CV 1 OR { 956} (( segid "A " and resid 2 and name HA )) (( segid "A " and resid 1 and name HA )) OR { 956} (( segid "B " and resid 19 and name HA )) (( segid "B " and resid 20 and name HA )) OR { 956} (( segid "B " and resid 19 and name HA )) (( segid "B " and resid 22 and name HA )) OR { 956} (( segid "B " and resid 18 and name HA )) (( segid "B " and resid 21 and name HA )) ASSI { 958} (( segid "B " and resid 18 and name HA )) (( segid "B " and resid 14 and name HB2 )) 4.600 2.700 1.400 peak 958 weight 0.10000E+01 volume 0.37602E-03 ppm1 4.620 ppm2 1.640 CV 1 OR { 958} (( segid "B " and resid 19 and name HA )) (( segid "B " and resid 20 and name HG1 )) OR { 958} (( segid "B " and resid 19 and name HA )) (( segid "A " and resid 11 and name HG1 )) ASSI { 959} (( segid "A " and resid 2 and name HA )) (( segid "A " and resid 4 and name HB )) 4.300 2.300 1.700 peak 959 weight 0.10000E+01 volume 0.72613E-03 ppm1 4.623 ppm2 2.048 CV 1 OR { 959} (( segid "A " and resid 2 and name HA )) (( segid "A " and resid 1 and name HE1 )) ASSI { 3} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 7 and name HA )) 3.300 1.400 1.400 peak 3 weight 0.10000E+01 volume 0.26710E-02 ppm1 7.362 ppm2 4.550 CV 1 OR { 3} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 23 and name HA )) ASSI { 30} (( segid "A " and resid 3 and name HN )) (( segid "A " and resid 2 and name HB2 )) 2.300 0.600 0.600 peak 30 weight 0.10000E+01 volume 0.75206E-03 ppm1 7.668 ppm2 3.300 CV 1 OR { 30} (( segid "B " and resid 35 and name HE3 )) (( segid "B " and resid 35 and name HB2 )) ASSI { 49} ( segid "A " and resid 7 and name HE% ) (( segid "A " and resid 7 and name HB1 )) 3.500 1.500 1.500 peak 49 weight 0.10000E+01 volume 0.26061E-02 ppm1 7.361 ppm2 3.112 CV 1 OR { 49} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 26 and name HB2 )) ASSI { 73} ( segid "B " and resid 23 and name HE% ) (( segid "B " and resid 23 and name HB1 )) 3.800 1.800 1.800 peak 73 weight 0.10000E+01 volume 0.19320E-02 ppm1 7.356 ppm2 3.201 CV 1 OR { 73} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 26 and name HB1 )) ASSI { 80} (( segid "A " and resid 7 and name HZ )) (( segid "A " and resid 10 and name HB1 )) 4.300 2.300 1.700 peak 80 weight 0.10000E+01 volume 0.66130E-03 ppm1 7.330 ppm2 2.893 CV 1 OR { 80} (( segid "A " and resid 7 and name HZ )) (( segid "A " and resid 3 and name HE1 )) ASSI { 82} ( segid "B " and resid 26 and name HE% ) (( segid "B " and resid 27 and name HG2 )) 3.300 1.400 1.400 peak 82 weight 0.10000E+01 volume 0.67426E-03 ppm1 7.332 ppm2 2.276 CV 1 OR { 82} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 22 and name HG1 )) ASSI { 104} ( segid "A " and resid 6 and name HE% ) ( segid "A " and resid 4 and name HG1%) 2.000 2.000 4.000 peak 104 weight 0.10000E+01 volume 0.31248E-02 ppm1 7.323 ppm2 0.946 CV 1 OR { 104} (( segid "B " and resid 18 and name HD1 )) ( segid "A " and resid 4 and name HG1%) ASSI { 114} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD13)) 3.000 1.100 1.100 peak 114 weight 0.10000E+01 volume 0.15171E-02 ppm1 7.315 ppm2 0.868 CV 1 OR { 114} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD13)) OR { 114} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HD12)) OR { 114} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD11)) OR { 114} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD11)) OR { 114} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 14 and name HD11)) OR { 114} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD12)) OR { 114} (( segid "B " and resid 18 and name HD1 )) (( segid "B " and resid 15 and name HD12)) ASSI { 123} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 26 and name HB2 )) 3.000 1.100 1.100 peak 123 weight 0.10000E+01 volume 0.15560E-02 ppm1 7.262 ppm2 3.081 CV 1 OR { 123} ( segid "B " and resid 23 and name HD% ) (( segid "B " and resid 23 and name HB2 )) ASSI { 127} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 4 and name HB )) 3.500 3.500 2.500 peak 127 weight 0.10000E+01 volume 0.31896E-02 ppm1 7.263 ppm2 2.049 CV 1 OR { 127} (( segid "A " and resid 2 and name HD1 )) (( segid "A " and resid 4 and name HB )) ASSI { 155} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 8 and name HG1 )) 3.900 1.900 1.900 peak 155 weight 0.10000E+01 volume 0.11670E-02 ppm1 7.251 ppm2 1.357 CV 1 OR { 155} (( segid "B " and resid 35 and name HD1 )) (( segid "B " and resid 33 and name HB2 )) ASSI { 156} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 7 and name HB1 )) 2.100 0.600 0.600 peak 156 weight 0.10000E+01 volume 0.62240E-02 ppm1 7.242 ppm2 3.118 CV 1 OR { 156} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 26 and name HB2 )) ASSI { 189} (( segid "B " and resid 23 and name HA )) (( segid "B " and resid 22 and name HB2 )) 3.900 1.900 1.900 peak 189 weight 0.10000E+01 volume 0.76503E-03 ppm1 4.560 ppm2 1.886 CV 1 OR { 189} (( segid "A " and resid 7 and name HA )) (( segid "A " and resid 11 and name HB1 )) ASSI { 191} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 25 and name HB1 )) 3.400 1.500 1.500 peak 191 weight 0.10000E+01 volume 0.82986E-03 ppm1 4.562 ppm2 1.767 CV 1 OR { 191} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 30 and name HB1 )) ASSI { 205} (( segid "B " and resid 23 and name HA )) (( segid "B " and resid 25 and name HB1 )) 3.400 1.400 1.400 peak 205 weight 0.10000E+01 volume 0.10762E-02 ppm1 4.550 ppm2 1.792 CV 1 OR { 205} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 25 and name HB1 )) ASSI { 208} (( segid "B " and resid 23 and name HA )) (( segid "B " and resid 25 and name HD2 )) 3.000 1.100 1.100 peak 208 weight 0.10000E+01 volume 0.11670E-02 ppm1 4.552 ppm2 1.636 CV 1 OR { 208} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 25 and name HD2 )) ASSI { 209} (( segid "B " and resid 23 and name HA )) (( segid "B " and resid 25 and name HG2 )) 3.800 1.800 1.800 peak 209 weight 0.10000E+01 volume 0.98545E-03 ppm1 4.550 ppm2 1.399 CV 1 OR { 209} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 25 and name HG2 )) ASSI { 238} (( segid "A " and resid 11 and name HA )) (( segid "A " and resid 11 and name HG1 )) 2.600 0.800 0.800 peak 238 weight 0.10000E+01 volume 0.96339E-02 ppm1 4.285 ppm2 1.634 CV 1 OR { 238} (( segid "A " and resid 9 and name HA )) (( segid "A " and resid 9 and name HG1 )) ASSI { 244} (( segid "B " and resid 21 and name HA )) (( segid "B " and resid 22 and name HB2 )) 3.500 1.500 1.500 peak 244 weight 0.10000E+01 volume 0.18412E-02 ppm1 4.257 ppm2 1.996 CV 1 OR { 244} (( segid "B " and resid 20 and name HA )) (( segid "B " and resid 22 and name HB2 )) ASSI { 262} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 8 and name HB1 )) 2.200 0.600 0.600 peak 262 weight 0.10000E+01 volume 0.10697E-01 ppm1 4.233 ppm2 1.796 CV 1 OR { 262} (( segid "B " and resid 21 and name HA )) (( segid "B " and resid 21 and name HB2 )) ASSI { 265} (( segid "B " and resid 21 and name HA )) (( segid "B " and resid 24 and name HB3 )) 2.400 0.700 0.700 peak 265 weight 0.10000E+01 volume 0.79354E-02 ppm1 4.234 ppm2 1.394 CV 1 OR { 265} (( segid "B " and resid 21 and name HA )) (( segid "B " and resid 21 and name HG1 )) OR { 265} (( segid "B " and resid 21 and name HA )) (( segid "B " and resid 24 and name HB2 )) ASSI { 291} (( segid "B " and resid 30 and name HA )) (( segid "B " and resid 30 and name HG1 )) 2.300 0.700 0.700 peak 291 weight 0.10000E+01 volume 0.10827E-01 ppm1 4.182 ppm2 1.545 CV 1 OR { 291} (( segid "A " and resid 3 and name HA )) (( segid "A " and resid 3 and name HD1 )) ASSI { 343} (( segid "B " and resid 20 and name HD2 )) (( segid "B " and resid 20 and name HB2 )) 2.200 0.600 0.600 peak 343 weight 0.10000E+01 volume 0.49271E-02 ppm1 3.204 ppm2 1.911 CV 1 OR { 343} (( segid "A " and resid 11 and name HE )) (( segid "A " and resid 11 and name HB1 )) ASSI { 369} (( segid "B " and resid 12 and name HA )) (( segid "B " and resid 15 and name HD12)) 4.100 2.100 1.900 peak 369 weight 0.10000E+01 volume 0.80392E-03 ppm1 4.031 ppm2 0.847 CV 1 OR { 369} (( segid "B " and resid 12 and name HA )) (( segid "B " and resid 14 and name HD13)) OR { 369} (( segid "B " and resid 12 and name HA )) (( segid "B " and resid 14 and name HD12)) OR { 369} (( segid "B " and resid 12 and name HA )) (( segid "B " and resid 15 and name HD13)) OR { 369} (( segid "B " and resid 12 and name HA )) (( segid "B " and resid 15 and name HD11)) ASSI { 429} (( segid "A " and resid 6 and name HA )) (( segid "A " and resid 3 and name HA )) 3.900 3.900 2.100 peak 429 weight 0.10000E+01 volume 0.95952E-03 ppm1 4.509 ppm2 4.178 CV 1 OR { 429} (( segid "A " and resid 6 and name HA )) (( segid "A " and resid 8 and name HA )) ASSI { 446} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 27 and name HA )) 4.100 2.100 1.900 peak 446 weight 0.10000E+01 volume 0.54460E-03 ppm1 7.264 ppm2 4.132 CV 1 OR { 446} ( segid "B " and resid 26 and name HD% ) (( segid "B " and resid 25 and name HA )) ASSI { 626} (( segid "B " and resid 20 and name HA )) (( segid "B " and resid 19 and name HB2 )) 4.300 2.300 1.700 peak 626 weight 0.10000E+01 volume 0.55757E-03 ppm1 4.238 ppm2 2.777 CV 1 OR { 626} (( segid "A " and resid 9 and name HA )) (( segid "A " and resid 10 and name HB2 )) ASSI { 640} (( segid "A " and resid 11 and name HA )) ( segid "B " and resid 15 and name HG1%) 4.600 2.600 1.400 peak 640 weight 0.10000E+01 volume 0.66130E-03 ppm1 4.297 ppm2 1.146 CV 1 OR { 640} (( segid "B " and resid 20 and name HA )) ( segid "B " and resid 17 and name HG1%) ASSI { 716} (( segid "B " and resid 27 and name HG2 )) (( segid "B " and resid 25 and name HD2 )) 3.700 1.700 1.700 peak 716 weight 0.10000E+01 volume 0.76503E-03 ppm1 2.280 ppm2 1.624 CV 1 OR { 716} (( segid "B " and resid 27 and name HG2 )) (( segid "B " and resid 30 and name HG1 )) ASSI { 729} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 32 and name HB2 )) 3.900 1.900 1.900 peak 729 weight 0.10000E+01 volume 0.72613E-03 ppm1 2.359 ppm2 1.725 CV 1 OR { 729} (( segid "B " and resid 29 and name HG2 )) (( segid "B " and resid 30 and name HB1 )) ASSI { 743} (( segid "B " and resid 19 and name HB1 )) (( segid "B " and resid 20 and name HB2 )) 4.500 2.500 1.500 peak 743 weight 0.10000E+01 volume 0.41492E-03 ppm1 2.728 ppm2 1.934 CV 1 OR { 743} (( segid "B " and resid 19 and name HB1 )) (( segid "B " and resid 22 and name HB2 )) ASSI { 808} (( segid "B " and resid 22 and name HG2 )) (( segid "B " and resid 21 and name HB2 )) 3.300 1.400 1.400 peak 808 weight 0.10000E+01 volume 0.71316E-03 ppm1 2.123 ppm2 1.832 CV 1 OR { 808} (( segid "B " and resid 28 and name HB1 )) (( segid "B " and resid 32 and name HB1 )) ASSI { 868} (( segid "A " and resid 9 and name HA )) (( segid "B " and resid 22 and name HG1 )) 4.100 2.100 1.900 peak 868 weight 0.10000E+01 volume 0.71316E-03 ppm1 4.298 ppm2 2.256 CV 1 OR { 868} (( segid "B " and resid 20 and name HA )) (( segid "B " and resid 22 and name HG1 ))
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