NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
20713 |
2gcz   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1}
(( segid " " and resid 11 and name HD21))
(( segid " " and resid 10 and name HB ))
4.500 2.500 1.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.26099E-03 ppm1 6.959 ppm2 0.948 CV 1
OR { 1}
(( segid " " and resid 11 and name HD22))
(( segid " " and resid 10 and name HB ))
ASSI { 1}
(( segid " " and resid 11 and name HD21))
(( segid " " and resid 11 and name HB2 ))
3.500 1.600 1.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.92923E-03 ppm1 6.956 ppm2 2.739 CV 1
OR { 1}
(( segid " " and resid 11 and name HD21))
(( segid " " and resid 11 and name HB1 ))
OR { 1}
(( segid " " and resid 11 and name HD22))
(( segid " " and resid 11 and name HB2 ))
OR { 1}
(( segid " " and resid 11 and name HD22))
(( segid " " and resid 11 and name HB1 ))
ASSI { 3}
(( segid " " and resid 9 and name HD21))
(( segid " " and resid 9 and name HB1 ))
3.500 1.500 1.500 peak 3 spectrum 1 weight 0.10000E+01 volume 0.13833E-02 ppm1 7.033 ppm2 2.778 CV 1
OR { 3}
(( segid " " and resid 9 and name HD21))
(( segid " " and resid 9 and name HB2 ))
OR { 3}
(( segid " " and resid 9 and name HD22))
(( segid " " and resid 9 and name HB1 ))
OR { 3}
(( segid " " and resid 9 and name HD22))
(( segid " " and resid 9 and name HB2 ))
ASSI { 6}
(( segid " " and resid 9 and name HD22))
(( segid " " and resid 3 and name HA ))
3.200 1.300 1.300 peak 6 spectrum 1 weight 0.10000E+01 volume 0.32374E-03 ppm1 7.031 ppm2 4.438 CV 1
OR { 6}
(( segid " " and resid 9 and name HD21))
(( segid " " and resid 3 and name HA ))
ASSI { 7}
(( segid " " and resid 12 and name HD21))
(( segid " " and resid 12 and name HB2 ))
3.400 1.500 1.500 peak 7 spectrum 1 weight 0.10000E+01 volume 0.64038E-03 ppm1 7.282 ppm2 2.666 CV 1
OR { 7}
(( segid " " and resid 12 and name HD21))
(( segid " " and resid 12 and name HB1 ))
OR { 7}
(( segid " " and resid 12 and name HD22))
(( segid " " and resid 12 and name HB2 ))
OR { 7}
(( segid " " and resid 12 and name HD22))
(( segid " " and resid 12 and name HB1 ))
ASSI { 11}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 14 and name HB2 ))
4.200 2.200 1.800 peak 11 spectrum 1 weight 0.10000E+01 volume 0.13757E-02 ppm1 7.310 ppm2 3.293 CV 1
OR { 11}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 14 and name HB1 ))
ASSI { 14}
(( segid " " and resid 5 and name HE1 ))
(( segid " " and resid 4 and name HB2 ))
3.500 1.600 1.600 peak 14 spectrum 1 weight 0.10000E+01 volume 0.64598E-03 ppm1 7.373 ppm2 3.837 CV 1
OR { 14}
(( segid " " and resid 5 and name HE1 ))
(( segid " " and resid 4 and name HB1 ))
ASSI { 16}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 15 and name HD11))
3.700 1.700 1.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.71418E-03 ppm1 7.311 ppm2 0.911 CV 1
OR { 16}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 15 and name HD13))
OR { 16}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 15 and name HD12))
ASSI { 17}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 15 and name HG23))
4.500 2.500 1.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.42318E-03 ppm1 7.311 ppm2 1.169 CV 1
OR { 17}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 15 and name HG21))
OR { 17}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 15 and name HG22))
ASSI { 18}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 15 and name HG12))
5.300 3.400 0.700 peak 18 spectrum 1 weight 0.10000E+01 volume 0.16608E-03 ppm1 7.312 ppm2 1.567 CV 1
OR { 18}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 15 and name HG11))
ASSI { 20}
(( segid " " and resid 12 and name HD21))
(( segid " " and resid 8 and name HA ))
5.000 3.200 1.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.87442E-04 ppm1 7.282 ppm2 4.428 CV 1
OR { 20}
(( segid " " and resid 12 and name HD22))
(( segid " " and resid 8 and name HA ))
ASSI { 22}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HD13))
3.500 1.500 1.500 peak 22 spectrum 1 weight 0.10000E+01 volume 0.45069E-03 ppm1 7.524 ppm2 0.912 CV 1
OR { 22}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HD12))
OR { 22}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HD11))
ASSI { 23}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HG23))
3.400 1.500 1.500 peak 23 spectrum 1 weight 0.10000E+01 volume 0.19110E-02 ppm1 7.525 ppm2 1.178 CV 1
OR { 23}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HG21))
OR { 23}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HG22))
ASSI { 24}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HG12))
3.500 1.500 1.500 peak 24 spectrum 1 weight 0.10000E+01 volume 0.51809E-03 ppm1 7.524 ppm2 1.570 CV 1
OR { 24}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HG11))
ASSI { 25}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB ))
3.000 1.100 1.100 peak 25 spectrum 1 weight 0.10000E+01 volume 0.12120E-02 ppm1 7.524 ppm2 1.922 CV 1
ASSI { 26}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HB1 ))
5.300 3.500 0.700 peak 26 spectrum 1 weight 0.10000E+01 volume 0.30175E-03 ppm1 7.524 ppm2 2.772 CV 1
OR { 26}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HB2 ))
ASSI { 27}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB2 ))
4.000 2.000 2.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.54796E-03 ppm1 7.524 ppm2 3.294 CV 1
OR { 27}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB1 ))
ASSI { 28}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA ))
3.400 1.400 1.400 peak 28 spectrum 1 weight 0.10000E+01 volume 0.61874E-03 ppm1 7.524 ppm2 4.203 CV 1
ASSI { 29}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA ))
3.700 1.700 1.700 peak 29 spectrum 1 weight 0.10000E+01 volume 0.55761E-03 ppm1 7.524 ppm2 4.601 CV 1
ASSI { 30}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 13 and name HA ))
5.600 3.900 0.400 peak 30 spectrum 1 weight 0.10000E+01 volume 0.10944E-03 ppm1 7.523 ppm2 4.458 CV 1
ASSI { 31}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB ))
2.900 1.100 1.100 peak 31 spectrum 1 weight 0.10000E+01 volume 0.60803E-03 ppm1 7.645 ppm2 0.963 CV 1
ASSI { 34}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB2 ))
2.500 2.500 3.500 peak 34 spectrum 1 weight 0.10000E+01 volume 0.36899E-02 ppm1 7.645 ppm2 2.738 CV 1
OR { 34}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB1 ))
ASSI { 38}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB2 ))
3.000 1.100 1.100 peak 38 spectrum 1 weight 0.10000E+01 volume 0.10082E-02 ppm1 7.699 ppm2 3.221 CV 1
OR { 38}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB1 ))
ASSI { 39}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 5 and name HB2 ))
2.800 1.000 1.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.12490E-02 ppm1 7.704 ppm2 3.348 CV 1
OR { 39}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 5 and name HB1 ))
ASSI { 40}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA ))
3.600 1.600 1.600 peak 40 spectrum 1 weight 0.10000E+01 volume 0.93080E-03 ppm1 7.658 ppm2 3.894 CV 1
ASSI { 42}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 6 and name HD2 ))
4.600 2.600 1.400 peak 42 spectrum 1 weight 0.10000E+01 volume 0.80003E-03 ppm1 7.705 ppm2 3.887 CV 1
OR { 42}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 6 and name HD1 ))
ASSI { 43}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 7 and name HA ))
6.000 5.000 0.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.38809E-04 ppm1 7.646 ppm2 4.195 CV 1
ASSI { 45}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA ))
3.700 1.700 1.700 peak 45 spectrum 1 weight 0.10000E+01 volume 0.82238E-03 ppm1 7.704 ppm2 4.189 CV 1
ASSI { 46}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 8 and name HA ))
4.300 2.300 1.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.19439E-03 ppm1 7.642 ppm2 4.425 CV 1
ASSI { 47}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HA ))
3.600 1.600 1.600 peak 47 spectrum 1 weight 0.10000E+01 volume 0.49167E-03 ppm1 7.696 ppm2 4.428 CV 1
ASSI { 48}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 10 and name HB ))
5.100 3.200 0.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.30560E-03 ppm1 7.792 ppm2 0.966 CV 1
ASSI { 49}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB2 ))
2.700 2.700 3.300 peak 49 spectrum 1 weight 0.10000E+01 volume 0.26679E-02 ppm1 7.794 ppm2 2.665 CV 1
OR { 49}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB1 ))
ASSI { 55}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 13 and name HD1 ))
3.600 1.600 1.600 peak 55 spectrum 1 weight 0.10000E+01 volume 0.62032E-03 ppm1 7.782 ppm2 3.512 CV 1
OR { 55}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 13 and name HD2 ))
ASSI { 57}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 10 and name HA ))
4.200 2.200 1.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.31436E-03 ppm1 7.783 ppm2 3.894 CV 1
ASSI { 59}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 9 and name HA ))
3.900 1.900 1.900 peak 59 spectrum 1 weight 0.10000E+01 volume 0.25723E-03 ppm1 7.792 ppm2 4.515 CV 1
ASSI { 60}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA ))
3.800 1.800 1.800 peak 60 spectrum 1 weight 0.10000E+01 volume 0.59040E-03 ppm1 7.795 ppm2 4.725 CV 1
ASSI { 61}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HA ))
2.900 1.100 1.100 peak 61 spectrum 1 weight 0.10000E+01 volume 0.19393E-02 ppm1 7.781 ppm2 5.206 CV 1
ASSI { 62}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB ))
2.200 0.600 0.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.52045E-02 ppm1 7.955 ppm2 0.969 CV 1
ASSI { 63}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HG11))
3.800 1.800 1.800 peak 63 spectrum 1 weight 0.10000E+01 volume 0.36450E-02 ppm1 7.955 ppm2 2.139 CV 1
OR { 63}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HG13))
OR { 63}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HG12))
ASSI { 64}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HB2 ))
3.100 1.200 1.200 peak 64 spectrum 1 weight 0.10000E+01 volume 0.14510E-02 ppm1 7.954 ppm2 2.783 CV 1
OR { 64}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HB1 ))
ASSI { 66}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA ))
2.700 0.900 0.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.32474E-02 ppm1 7.955 ppm2 3.892 CV 1
ASSI { 67}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 7 and name HA ))
4.200 2.200 1.800 peak 67 spectrum 1 weight 0.10000E+01 volume 0.26115E-03 ppm1 7.954 ppm2 4.188 CV 1
ASSI { 68}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 6 and name HA ))
4.900 3.000 1.100 peak 68 spectrum 1 weight 0.10000E+01 volume 0.15132E-03 ppm1 7.958 ppm2 4.282 CV 1
ASSI { 69}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA ))
2.900 1.100 1.100 peak 69 spectrum 1 weight 0.10000E+01 volume 0.22183E-02 ppm1 7.955 ppm2 4.518 CV 1
ASSI { 70}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB2 ))
4.700 2.800 1.300 peak 70 spectrum 1 weight 0.10000E+01 volume 0.23743E-03 ppm1 8.047 ppm2 2.863 CV 1
OR { 70}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB1 ))
ASSI { 72}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB2 ))
2.700 0.900 0.900 peak 72 spectrum 1 weight 0.10000E+01 volume 0.31016E-02 ppm1 8.044 ppm2 3.837 CV 1
OR { 72}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB1 ))
ASSI { 73}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
2.800 1.000 1.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.23926E-02 ppm1 8.041 ppm2 4.339 CV 1
ASSI { 74}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA ))
3.300 1.400 1.400 peak 74 spectrum 1 weight 0.10000E+01 volume 0.47339E-03 ppm1 8.046 ppm2 4.434 CV 1
ASSI { 75}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 9 and name HB2 ))
6.000 4.400 0.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.13443E-03 ppm1 8.187 ppm2 2.776 CV 1
OR { 75}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 9 and name HB1 ))
ASSI { 76}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB2 ))
2.600 2.600 3.400 peak 76 spectrum 1 weight 0.10000E+01 volume 0.29982E-02 ppm1 8.177 ppm2 3.348 CV 1
OR { 76}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB1 ))
ASSI { 77}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB2 ))
4.400 2.400 1.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.76580E-03 ppm1 8.185 ppm2 3.842 CV 1
OR { 77}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB1 ))
ASSI { 78}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
3.700 1.700 1.700 peak 78 spectrum 1 weight 0.10000E+01 volume 0.51428E-03 ppm1 8.180 ppm2 4.337 CV 1
ASSI { 79}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 3 and name HA ))
4.300 2.300 1.700 peak 79 spectrum 1 weight 0.10000E+01 volume 0.29042E-03 ppm1 8.186 ppm2 4.436 CV 1
ASSI { 80}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
2.800 1.000 1.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.15528E-02 ppm1 8.188 ppm2 5.198 CV 1
ASSI { 82}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB1 ))
3.800 1.800 1.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.70331E-03 ppm1 8.225 ppm2 2.765 CV 1
OR { 82}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB2 ))
ASSI { 83}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA1 ))
2.300 0.700 0.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.58965E-02 ppm1 8.220 ppm2 3.951 CV 1
OR { 83}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA2 ))
ASSI { 84}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA ))
3.700 1.700 1.700 peak 84 spectrum 1 weight 0.10000E+01 volume 0.76686E-03 ppm1 8.220 ppm2 4.465 CV 1
ASSI { 85}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HD13))
3.800 1.800 1.800 peak 85 spectrum 1 weight 0.10000E+01 volume 0.12245E-02 ppm1 8.251 ppm2 0.910 CV 1
OR { 85}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HD12))
OR { 85}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HD11))
ASSI { 86}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB ))
2.700 0.900 0.900 peak 86 spectrum 1 weight 0.10000E+01 volume 0.21840E-02 ppm1 8.255 ppm2 1.923 CV 1
ASSI { 87}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB1 ))
2.300 0.700 0.700 peak 87 spectrum 1 weight 0.10000E+01 volume 0.46837E-02 ppm1 8.255 ppm2 2.767 CV 1
OR { 87}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB2 ))
ASSI { 89}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA ))
3.000 1.100 1.100 peak 89 spectrum 1 weight 0.10000E+01 volume 0.25765E-02 ppm1 8.256 ppm2 4.204 CV 1
ASSI { 91}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HG2 ))
3.200 3.200 2.800 peak 91 spectrum 1 weight 0.10000E+01 volume 0.22904E-02 ppm1 8.476 ppm2 1.978 CV 1
OR { 91}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HG1 ))
ASSI { 92}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB2 ))
4.500 2.500 1.500 peak 92 spectrum 1 weight 0.10000E+01 volume 0.19257E-03 ppm1 8.475 ppm2 2.159 CV 1
OR { 92}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB1 ))
ASSI { 94}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 5 and name HB1 ))
3.100 1.200 1.200 peak 94 spectrum 1 weight 0.10000E+01 volume 0.10862E-02 ppm1 8.476 ppm2 3.351 CV 1
OR { 94}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 5 and name HB2 ))
ASSI { 95}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HD2 ))
3.000 1.100 1.100 peak 95 spectrum 1 weight 0.10000E+01 volume 0.13048E-02 ppm1 8.476 ppm2 3.881 CV 1
OR { 95}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HD1 ))
ASSI { 96}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA ))
2.700 0.900 0.900 peak 96 spectrum 1 weight 0.10000E+01 volume 0.30640E-02 ppm1 8.476 ppm2 4.189 CV 1
ASSI { 97}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
3.000 1.100 1.100 peak 97 spectrum 1 weight 0.10000E+01 volume 0.16165E-02 ppm1 8.477 ppm2 4.283 CV 1
ASSI { 98}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HB ))
5.000 3.100 1.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.39951E-03 ppm1 8.572 ppm2 0.967 CV 1
ASSI { 100}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB2 ))
2.300 2.300 3.700 peak 100 spectrum 1 weight 0.10000E+01 volume 0.56949E-02 ppm1 8.571 ppm2 2.783 CV 1
OR { 100}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB1 ))
ASSI { 102}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB1 ))
3.000 1.100 1.100 peak 102 spectrum 1 weight 0.10000E+01 volume 0.13779E-02 ppm1 8.570 ppm2 3.219 CV 1
OR { 102}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB2 ))
ASSI { 103}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 5 and name HB2 ))
4.200 2.200 1.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.54964E-03 ppm1 8.571 ppm2 3.350 CV 1
OR { 103}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 5 and name HB1 ))
ASSI { 105}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 7 and name HA ))
5.600 3.900 0.400 peak 105 spectrum 1 weight 0.10000E+01 volume 0.69272E-04 ppm1 8.569 ppm2 4.195 CV 1
ASSI { 106}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 6 and name HA ))
3.600 1.600 1.600 peak 106 spectrum 1 weight 0.10000E+01 volume 0.60053E-03 ppm1 8.569 ppm2 4.281 CV 1
ASSI { 107}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA ))
2.800 1.000 1.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.36134E-02 ppm1 8.571 ppm2 4.426 CV 1
ASSI { 108}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA ))
2.700 0.900 0.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.27363E-02 ppm1 8.570 ppm2 4.519 CV 1
ASSI { 109}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB2 ))
2.400 2.400 3.600 peak 109 spectrum 1 weight 0.10000E+01 volume 0.55993E-02 ppm1 8.747 ppm2 2.862 CV 1
OR { 109}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB1 ))
ASSI { 112}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HA ))
2.600 0.800 0.800 peak 112 spectrum 1 weight 0.10000E+01 volume 0.30620E-02 ppm1 8.747 ppm2 4.437 CV 1
ASSI { 113}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HG2 ))
3.300 1.300 1.300 peak 113 spectrum 1 weight 0.10000E+01 volume 0.10687E-02 ppm1 8.781 ppm2 1.722 CV 1
OR { 113}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HG1 ))
ASSI { 114}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB1 ))
2.500 0.800 0.800 peak 114 spectrum 1 weight 0.10000E+01 volume 0.55843E-02 ppm1 8.781 ppm2 3.283 CV 1
OR { 114}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB2 ))
ASSI { 116}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HA ))
2.800 1.000 1.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.21482E-02 ppm1 8.780 ppm2 4.465 CV 1
ASSI { 117}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA ))
3.000 1.100 1.100 peak 117 spectrum 1 weight 0.10000E+01 volume 0.16045E-02 ppm1 8.779 ppm2 4.600 CV 1
ASSI { 118}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HB1 ))
3.700 1.700 1.700 peak 118 spectrum 1 weight 0.10000E+01 volume 0.64222E-03 ppm1 8.938 ppm2 2.843 CV 1
OR { 118}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HB2 ))
ASSI { 120}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HA1 ))
3.000 1.100 1.100 peak 120 spectrum 1 weight 0.10000E+01 volume 0.16266E-02 ppm1 8.936 ppm2 3.932 CV 1
OR { 120}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HA2 ))
ASSI { 121}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HA ))
4.500 2.500 1.500 peak 121 spectrum 1 weight 0.10000E+01 volume 0.15703E-03 ppm1 8.929 ppm2 4.682 CV 1
ASSI { 122}
(( segid " " and resid 11 and name HD21))
(( segid " " and resid 11 and name HN ))
1.400 0.200 0.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.10803E+00 ppm1 6.957 ppm2 7.639 CV 1
OR { 122}
(( segid " " and resid 11 and name HD22))
(( segid " " and resid 11 and name HN ))
ASSI { 124}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HN ))
2.400 0.700 0.700 peak 124 spectrum 1 weight 0.10000E+01 volume 0.17683E-02 ppm1 7.519 ppm2 8.775 CV 1
ASSI { 125}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HN ))
3.100 1.200 1.200 peak 125 spectrum 1 weight 0.10000E+01 volume 0.82942E-03 ppm1 8.038 ppm2 8.743 CV 1
ASSI { 126}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HN ))
2.000 0.500 0.500 peak 126 spectrum 1 weight 0.10000E+01 volume 0.38229E-02 ppm1 8.255 ppm2 7.518 CV 1
ASSI { 127}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 8 and name HN ))
2.500 0.800 0.800 peak 127 spectrum 1 weight 0.10000E+01 volume 0.16381E-02 ppm1 8.478 ppm2 7.695 CV 1
ASSI { 128}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HN ))
2.200 0.600 0.600 peak 128 spectrum 1 weight 0.10000E+01 volume 0.39207E-02 ppm1 8.571 ppm2 7.694 CV 1
ASSI { 129}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HN ))
2.500 0.800 0.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.20682E-02 ppm1 8.571 ppm2 7.951 CV 1
ASSI { 130}
(( segid " " and resid 15 and name HD13))
(( segid " " and resid 16 and name HB2 ))
4.200 2.200 1.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.12387E-02 ppm1 0.909 ppm2 2.768 CV 1
OR { 130}
(( segid " " and resid 15 and name HD12))
(( segid " " and resid 16 and name HB2 ))
OR { 130}
(( segid " " and resid 15 and name HD13))
(( segid " " and resid 16 and name HB1 ))
OR { 130}
(( segid " " and resid 15 and name HD11))
(( segid " " and resid 16 and name HB2 ))
OR { 130}
(( segid " " and resid 15 and name HD12))
(( segid " " and resid 16 and name HB1 ))
OR { 130}
(( segid " " and resid 15 and name HD11))
(( segid " " and resid 16 and name HB1 ))
ASSI { 132}
(( segid " " and resid 15 and name HG22))
(( segid " " and resid 15 and name HG12))
2.000 2.000 4.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.20370E-01 ppm1 1.181 ppm2 1.566 CV 1
OR { 132}
(( segid " " and resid 15 and name HG22))
(( segid " " and resid 15 and name HG11))
OR { 132}
(( segid " " and resid 15 and name HG23))
(( segid " " and resid 15 and name HG12))
OR { 132}
(( segid " " and resid 15 and name HG21))
(( segid " " and resid 15 and name HG12))
OR { 132}
(( segid " " and resid 15 and name HG23))
(( segid " " and resid 15 and name HG11))
OR { 132}
(( segid " " and resid 15 and name HG21))
(( segid " " and resid 15 and name HG11))
ASSI { 133}
(( segid " " and resid 15 and name HG21))
(( segid " " and resid 15 and name HB ))
2.700 0.900 0.900 peak 133 spectrum 1 weight 0.10000E+01 volume 0.27307E-02 ppm1 1.186 ppm2 1.915 CV 1
OR { 133}
(( segid " " and resid 15 and name HG22))
(( segid " " and resid 15 and name HB ))
OR { 133}
(( segid " " and resid 15 and name HG23))
(( segid " " and resid 15 and name HB ))
ASSI { 138}
(( segid " " and resid 15 and name HB ))
(( segid " " and resid 16 and name HB2 ))
2.900 2.900 3.100 peak 138 spectrum 1 weight 0.10000E+01 volume 0.33618E-02 ppm1 1.930 ppm2 2.769 CV 1
OR { 138}
(( segid " " and resid 15 and name HB ))
(( segid " " and resid 16 and name HB1 ))
ASSI { 139}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HD2 ))
2.600 2.600 3.400 peak 139 spectrum 1 weight 0.10000E+01 volume 0.95891E-02 ppm1 2.151 ppm2 3.889 CV 1
OR { 139}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 6 and name HD1 ))
OR { 139}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 6 and name HD2 ))
OR { 139}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HD1 ))
ASSI { 142}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 6 and name HA ))
3.300 3.300 2.700 peak 142 spectrum 1 weight 0.10000E+01 volume 0.97424E-03 ppm1 2.793 ppm2 4.279 CV 1
OR { 142}
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 6 and name HA ))
ASSI { 150}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 10 and name HB ))
3.200 1.300 1.300 peak 150 spectrum 1 weight 0.10000E+01 volume 0.10284E-02 ppm1 4.192 ppm2 0.973 CV 1
ASSI { 155}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB1 ))
2.300 0.600 0.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.88186E-02 ppm1 4.343 ppm2 3.838 CV 1
OR { 155}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB2 ))
ASSI { 157}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HB1 ))
6.000 4.600 0.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.24583E-03 ppm1 5.220 ppm2 2.018 CV 1
OR { 157}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HB2 ))
ASSI { 158}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HB1 ))
6.000 5.500 0.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.19610E-03 ppm1 5.188 ppm2 2.152 CV 1
OR { 158}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HB2 ))
ASSI { 159}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB1 ))
2.600 0.800 0.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.26548E-02 ppm1 5.213 ppm2 2.661 CV 1
OR { 159}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB2 ))
ASSI { 161}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HB1 ))
2.100 0.500 0.500 peak 161 spectrum 1 weight 0.10000E+01 volume 0.83721E-02 ppm1 5.186 ppm2 3.351 CV 1
OR { 161}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HB2 ))
ASSI { 167}
(( segid " " and resid 13 and name HB1 ))
(( segid " " and resid 13 and name HD1 ))
3.300 1.400 1.400 peak 167 spectrum 1 weight 0.10000E+01 volume 0.24395E-02 ppm1 2.014 ppm2 3.513 CV 1
OR { 167}
(( segid " " and resid 13 and name HB1 ))
(( segid " " and resid 13 and name HD2 ))
OR { 167}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HD2 ))
OR { 167}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HD1 ))
ASSI { 170}
(( segid " " and resid 15 and name HB ))
(( segid " " and resid 15 and name HD13))
2.700 0.900 0.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.34784E-02 ppm1 1.923 ppm2 0.912 CV 1
OR { 170}
(( segid " " and resid 15 and name HB ))
(( segid " " and resid 15 and name HD12))
OR { 170}
(( segid " " and resid 15 and name HB ))
(( segid " " and resid 15 and name HD11))
ASSI { 173}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 13 and name HB2 ))
1.700 1.700 4.300 peak 173 spectrum 1 weight 0.10000E+01 volume 0.34996E-01 ppm1 1.734 ppm2 2.008 CV 1
OR { 173}
(( segid " " and resid 13 and name HG1 ))
(( segid " " and resid 13 and name HB1 ))
OR { 173}
(( segid " " and resid 13 and name HG1 ))
(( segid " " and resid 13 and name HB2 ))
OR { 173}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 13 and name HB1 ))
ASSI { 181}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HB1 ))
2.900 1.100 1.100 peak 181 spectrum 1 weight 0.10000E+01 volume 0.12358E-02 ppm1 1.973 ppm2 2.156 CV 1
OR { 181}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HB2 ))
OR { 181}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HB1 ))
OR { 181}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HB2 ))
ASSI { 186}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 13 and name HD2 ))
3.100 1.200 1.200 peak 186 spectrum 1 weight 0.10000E+01 volume 0.74934E-03 ppm1 1.723 ppm2 3.507 CV 1
OR { 186}
(( segid " " and resid 13 and name HG1 ))
(( segid " " and resid 13 and name HD1 ))
OR { 186}
(( segid " " and resid 13 and name HG1 ))
(( segid " " and resid 13 and name HD2 ))
OR { 186}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 13 and name HD1 ))
ASSI { 190}
(( segid " " and resid 10 and name HB ))
(( segid " " and resid 10 and name HA ))
3.000 1.100 1.100 peak 190 spectrum 1 weight 0.10000E+01 volume 0.25553E-02 ppm1 0.955 ppm2 3.892 CV 1
ASSI { 193}
(( segid " " and resid 13 and name HB1 ))
(( segid " " and resid 10 and name HA ))
3.000 1.100 1.100 peak 193 spectrum 1 weight 0.10000E+01 volume 0.14622E-02 ppm1 2.001 ppm2 3.881 CV 1
OR { 193}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 10 and name HA ))
ASSI { 195}
(( segid " " and resid 15 and name HD13))
(( segid " " and resid 15 and name HA ))
3.100 3.100 2.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.52902E-02 ppm1 0.914 ppm2 4.205 CV 1
OR { 195}
(( segid " " and resid 15 and name HD12))
(( segid " " and resid 15 and name HA ))
OR { 195}
(( segid " " and resid 15 and name HD11))
(( segid " " and resid 15 and name HA ))
ASSI { 198}
(( segid " " and resid 15 and name HB ))
(( segid " " and resid 15 and name HA ))
2.600 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.48065E-02 ppm1 1.930 ppm2 4.203 CV 1
ASSI { 211}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB2 ))
2.500 0.800 0.800 peak 211 spectrum 1 weight 0.10000E+01 volume 0.50424E-02 ppm1 4.429 ppm2 3.221 CV 1
OR { 211}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB1 ))
ASSI { 214}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB1 ))
2.300 0.700 0.700 peak 214 spectrum 1 weight 0.10000E+01 volume 0.58723E-02 ppm1 4.520 ppm2 2.781 CV 1
OR { 214}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB2 ))
ASSI { 226}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 5 and name HN ))
2.700 0.900 0.900 peak 226 spectrum 1 weight 0.10000E+01 volume 0.14726E-02 ppm1 8.043 ppm2 8.179 CV 1
ASSI { 230}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 11 and name HN ))
3.300 1.300 1.300 peak 230 spectrum 1 weight 0.10000E+01 volume 0.55077E-03 ppm1 7.955 ppm2 7.661 CV 1
ASSI { 231}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HE1 ))
5.800 4.300 0.200 peak 231 spectrum 1 weight 0.10000E+01 volume 0.33339E-03 ppm1 8.179 ppm2 7.367 CV 1
ASSI { 237}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA ))
5.600 3.900 0.400 peak 237 spectrum 1 weight 0.10000E+01 volume 0.35273E-04 ppm1 7.642 ppm2 4.721 CV 1
ASSI { 1}
(( segid " " and resid 5 and name HE1 ))
(( segid " " and resid 5 and name HB2 ))
3.400 1.400 1.400 peak 1 spectrum 1 weight 0.10000E+01 volume 0.11736E-02 ppm1 7.385 ppm2 3.341 CV 1
OR { 1}
(( segid " " and resid 5 and name HE1 ))
(( segid " " and resid 5 and name HB1 ))
ASSI { 2}
(( segid " " and resid 5 and name HE1 ))
(( segid " " and resid 2 and name HA ))
3.400 1.400 1.400 peak 2 spectrum 1 weight 0.10000E+01 volume 0.31195E-03 ppm1 7.384 ppm2 4.676 CV 1
ASSI { 9}
(( segid " " and resid 13 and name HD2 ))
(( segid " " and resid 12 and name HA ))
2.200 0.600 0.600 peak 9 spectrum 1 weight 0.10000E+01 volume 0.19084E-02 ppm1 3.513 ppm2 5.203 CV 1
OR { 9}
(( segid " " and resid 13 and name HD1 ))
(( segid " " and resid 12 and name HA ))
ASSI { 11}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 12 and name HA ))
2.600 0.800 0.800 peak 11 spectrum 1 weight 0.10000E+01 volume 0.12007E-02 ppm1 2.759 ppm2 5.205 CV 1
OR { 11}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 12 and name HA ))
ASSI { 20}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HA ))
2.600 0.800 0.800 peak 20 spectrum 1 weight 0.10000E+01 volume 0.13934E-02 ppm1 3.295 ppm2 4.584 CV 1
OR { 20}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HA ))
ASSI { 23}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 2 and name HA ))
2.600 0.900 0.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.14679E-02 ppm1 2.859 ppm2 4.691 CV 1
OR { 23}
(( segid " " and resid 2 and name HB1 ))
(( segid " " and resid 2 and name HA ))
ASSI { 24}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 11 and name HA ))
3.000 1.100 1.100 peak 24 spectrum 1 weight 0.10000E+01 volume 0.61173E-03 ppm1 2.755 ppm2 4.716 CV 1
OR { 24}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HA ))
ASSI { 25}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 8 and name HA ))
3.400 1.500 1.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.20138E-02 ppm1 3.352 ppm2 4.416 CV 1
OR { 25}
(( segid " " and resid 5 and name HB1 ))
(( segid " " and resid 8 and name HA ))
ASSI { 32}
(( segid " " and resid 2 and name HB1 ))
(( segid " " and resid 8 and name HA ))
4.200 2.200 1.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.34198E-03 ppm1 2.852 ppm2 4.406 CV 1
OR { 32}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 8 and name HA ))
ASSI { 69}
(( segid " " and resid 10 and name HG11))
(( segid " " and resid 13 and name HB1 ))
2.000 2.000 4.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.19042E-01 ppm1 2.155 ppm2 1.998 CV 1
OR { 69}
(( segid " " and resid 10 and name HG13))
(( segid " " and resid 13 and name HB1 ))
OR { 69}
(( segid " " and resid 10 and name HG12))
(( segid " " and resid 13 and name HB1 ))
OR { 69}
(( segid " " and resid 10 and name HG23))
(( segid " " and resid 13 and name HB1 ))
OR { 69}
(( segid " " and resid 10 and name HG22))
(( segid " " and resid 13 and name HB1 ))
OR { 69}
(( segid " " and resid 10 and name HG21))
(( segid " " and resid 13 and name HB1 ))
OR { 69}
(( segid " " and resid 10 and name HG11))
(( segid " " and resid 13 and name HB2 ))
OR { 69}
(( segid " " and resid 10 and name HG13))
(( segid " " and resid 13 and name HB2 ))
OR { 69}
(( segid " " and resid 10 and name HG12))
(( segid " " and resid 13 and name HB2 ))
OR { 69}
(( segid " " and resid 10 and name HG23))
(( segid " " and resid 13 and name HB2 ))
OR { 69}
(( segid " " and resid 10 and name HG22))
(( segid " " and resid 13 and name HB2 ))
OR { 69}
(( segid " " and resid 10 and name HG21))
(( segid " " and resid 13 and name HB2 ))
ASSI { 71}
(( segid " " and resid 15 and name HG12))
(( segid " " and resid 15 and name HB ))
2.200 0.600 0.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.24931E-02 ppm1 1.574 ppm2 1.912 CV 1
OR { 71}
(( segid " " and resid 15 and name HG11))
(( segid " " and resid 15 and name HB ))
ASSI { 77}
(( segid " " and resid 10 and name HB ))
(( segid " " and resid 10 and name HG12))
2.200 0.600 0.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.24623E-02 ppm1 0.958 ppm2 2.127 CV 1
OR { 77}
(( segid " " and resid 10 and name HB ))
(( segid " " and resid 10 and name HG21))
OR { 77}
(( segid " " and resid 10 and name HB ))
(( segid " " and resid 10 and name HG22))
OR { 77}
(( segid " " and resid 10 and name HB ))
(( segid " " and resid 10 and name HG11))
OR { 77}
(( segid " " and resid 10 and name HB ))
(( segid " " and resid 10 and name HG23))
OR { 77}
(( segid " " and resid 10 and name HB ))
(( segid " " and resid 10 and name HG13))
ASSI { 101}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HG23))
2.900 1.000 1.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.93704E-03 ppm1 4.200 ppm2 1.159 CV 1
OR { 101}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HG21))
OR { 101}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HG22))
ASSI { 109}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HG1 ))
2.900 1.000 1.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.27980E-02 ppm1 4.279 ppm2 1.973 CV 1
OR { 109}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HG2 ))
ASSI { 113}
(( segid " " and resid 6 and name HD1 ))
(( segid " " and resid 6 and name HG1 ))
2.200 0.600 0.600 peak 113 spectrum 1 weight 0.10000E+01 volume 0.17904E-02 ppm1 3.894 ppm2 1.986 CV 1
OR { 113}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HG2 ))
OR { 113}
(( segid " " and resid 6 and name HD1 ))
(( segid " " and resid 6 and name HG2 ))
OR { 113}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HG1 ))
ASSI { 114}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HG23))
2.100 0.600 0.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.64184E-02 ppm1 3.890 ppm2 2.127 CV 1
OR { 114}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HG13))
OR { 114}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HG11))
OR { 114}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HG22))
OR { 114}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HG21))
OR { 114}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HG12))
ASSI { 118}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 16 and name HB1 ))
2.500 0.800 0.800 peak 118 spectrum 1 weight 0.10000E+01 volume 0.14096E-02 ppm1 4.509 ppm2 2.759 CV 1
OR { 118}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 16 and name HB2 ))
ASSI { 125}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 11 and name HB2 ))
2.500 2.500 3.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.27064E-02 ppm1 5.225 ppm2 2.744 CV 1
OR { 125}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 11 and name HB1 ))
ASSI { 129}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HD1 ))
1.800 0.400 0.400 peak 129 spectrum 1 weight 0.10000E+01 volume 0.46832E-02 ppm1 5.190 ppm2 3.877 CV 1
OR { 129}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HD2 ))
Contact the webmaster for help, if required. Friday, May 10, 2024 11:52:47 AM GMT (wattos1)