NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
7310 |
1k8m   |
5078 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI {11856}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA ))
3.300 1.300 1.300 peak 11856 weight 0.10000E+01 volume 0.11491E-02 ppm1 8.676 ppm2 4.548 CV 1
ASSI { 1618}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB ))
3.800 1.800 1.800 peak 1618 weight 0.10000E+01 volume 0.80616E-03 ppm1 8.676 ppm2 1.899 CV 1
ASSI { 1920}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 4 and name HG1%)
3.900 1.900 1.900 peak 1920 weight 0.10000E+01 volume 0.53677E-03 ppm1 8.671 ppm2 0.845 CV 1
OR { 1920}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 4 and name HG2%)
ASSI { 1217}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
2.100 0.600 0.600 peak 1217 weight 0.10000E+01 volume 0.11620E-01 ppm1 9.136 ppm2 4.431 CV 1
ASSI { 1917}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 4 and name HG2%)
3.800 1.800 1.800 peak 1917 weight 0.10000E+01 volume 0.96726E-03 ppm1 9.136 ppm2 0.845 CV 1
OR { 1917}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 4 and name HG1%)
ASSI { 1273}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
3.000 1.100 1.100 peak 1273 weight 0.10000E+01 volume 0.17857E-02 ppm1 9.136 ppm2 4.243 CV 1
ASSI { 1675}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB ))
3.100 1.200 1.200 peak 1675 weight 0.10000E+01 volume 0.28672E-02 ppm1 9.136 ppm2 1.712 CV 1
ASSI { 819}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 77 and name HA ))
4.600 2.600 1.400 peak 819 weight 0.10000E+01 volume 0.50722E-03 ppm1 9.146 ppm2 5.884 CV 1
ASSI { 1765}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 78 and name HB ))
3.700 1.700 1.700 peak 1765 weight 0.10000E+01 volume 0.57121E-03 ppm1 9.136 ppm2 1.337 CV 1
ASSI { 5077}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 78 and name HN ))
2.800 1.000 1.000 peak 5077 weight 0.10000E+01 volume 0.22805E-02 ppm1 9.151 ppm2 9.212 CV 1
ASSI { 950}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 79 and name HA ))
3.100 1.200 1.200 peak 950 weight 0.10000E+01 volume 0.16009E-02 ppm1 9.141 ppm2 4.852 CV 1
ASSI { 235}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 80 and name HN ))
3.700 1.700 1.700 peak 235 weight 0.10000E+01 volume 0.96491E-03 ppm1 9.136 ppm2 8.860 CV 1
ASSI { 1915}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 4 and name HG2%)
3.700 1.700 1.700 peak 1915 weight 0.10000E+01 volume 0.11434E-02 ppm1 8.383 ppm2 0.868 CV 1
OR { 1915}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 4 and name HG1%)
ASSI { 1270}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HA ))
2.100 0.600 0.600 peak 1270 weight 0.10000E+01 volume 0.14014E-01 ppm1 8.378 ppm2 4.243 CV 1
ASSI { 1679}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HB ))
3.600 1.600 1.600 peak 1679 weight 0.10000E+01 volume 0.17180E-02 ppm1 8.378 ppm2 1.712 CV 1
ASSI { 2039}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 5 and name HG1%)
4.100 2.100 1.900 peak 2039 weight 0.10000E+01 volume 0.14624E-02 ppm1 8.378 ppm2 0.517 CV 1
ASSI { 2065}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 5 and name HG2%)
3.800 1.800 1.800 peak 2065 weight 0.10000E+01 volume 0.10969E-02 ppm1 8.378 ppm2 0.423 CV 1
ASSI { 915}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HA ))
2.900 1.000 1.000 peak 915 weight 0.10000E+01 volume 0.22650E-02 ppm1 8.378 ppm2 4.946 CV 1
ASSI { 1744}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB1 ))
3.400 1.400 1.400 peak 1744 weight 0.10000E+01 volume 0.19792E-02 ppm1 8.383 ppm2 1.431 CV 1
ASSI { 1737}
(( segid " " and resid 6 and name HE22))
(( segid " " and resid 6 and name HB1 ))
4.300 2.400 1.700 peak 1737 weight 0.10000E+01 volume 0.12171E-02 ppm1 6.755 ppm2 1.477 CV 1
ASSI { 1577}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB2 ))
2.600 0.800 0.800 peak 1577 weight 0.10000E+01 volume 0.38189E-02 ppm1 8.383 ppm2 2.110 CV 1
ASSI { 1541}
(( segid " " and resid 6 and name HE21))
(( segid " " and resid 6 and name HG1 ))
3.100 1.200 1.200 peak 1541 weight 0.10000E+01 volume 0.18293E-02 ppm1 7.752 ppm2 2.415 CV 1
OR { 1541}
(( segid " " and resid 6 and name HE21))
(( segid " " and resid 6 and name HG2 ))
ASSI { 1538}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HG1 ))
3.300 1.300 1.300 peak 1538 weight 0.10000E+01 volume 0.16611E-02 ppm1 8.383 ppm2 2.415 CV 1
OR { 1538}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HG2 ))
ASSI { 918}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
2.000 0.500 0.500 peak 918 weight 0.10000E+01 volume 0.11725E-01 ppm1 9.043 ppm2 4.946 CV 1
ASSI { 1749}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB1 ))
3.200 1.300 1.300 peak 1749 weight 0.10000E+01 volume 0.11180E-02 ppm1 9.038 ppm2 1.431 CV 1
ASSI { 1578}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB2 ))
4.400 2.400 1.600 peak 1578 weight 0.10000E+01 volume 0.45362E-03 ppm1 9.048 ppm2 2.110 CV 1
ASSI { 603}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HE21))
4.700 2.700 1.300 peak 603 weight 0.10000E+01 volume 0.37973E-03 ppm1 9.038 ppm2 7.735 CV 1
ASSI { 1548}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HG2 ))
4.300 2.300 1.700 peak 1548 weight 0.10000E+01 volume 0.63579E-03 ppm1 9.043 ppm2 2.392 CV 1
OR { 1548}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HG1 ))
ASSI { 895}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA ))
3.000 1.100 1.100 peak 895 weight 0.10000E+01 volume 0.16702E-02 ppm1 9.043 ppm2 5.040 CV 1
ASSI { 1400}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HB1 ))
2.400 0.700 0.700 peak 1400 weight 0.10000E+01 volume 0.47359E-02 ppm1 9.043 ppm2 3.493 CV 1
OR { 1400}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HB2 ))
ASSI { 687}
(( segid " " and resid 7 and name HN ))
( segid " " and resid 7 and name HE% )
4.900 3.000 1.100 peak 687 weight 0.10000E+01 volume 0.69025E-03 ppm1 9.043 ppm2 7.360 CV 1
ASSI { 1847}
(( segid " " and resid 7 and name HN ))
( segid " " and resid 76 and name HG1%)
3.100 1.200 1.200 peak 1847 weight 0.10000E+01 volume 0.10471E-02 ppm1 9.043 ppm2 1.056 CV 1
ASSI { 1782}
(( segid " " and resid 7 and name HN ))
( segid " " and resid 76 and name HG2%)
5.200 3.300 0.800 peak 1782 weight 0.10000E+01 volume 0.38658E-03 ppm1 9.038 ppm2 1.290 CV 1
ASSI { 641}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 76 and name HN ))
3.000 1.100 1.100 peak 641 weight 0.10000E+01 volume 0.14235E-02 ppm1 9.043 ppm2 7.595 CV 1
ASSI { 821}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 77 and name HA ))
3.500 1.500 1.500 peak 821 weight 0.10000E+01 volume 0.20278E-02 ppm1 9.043 ppm2 5.884 CV 1
ASSI { 2038}
(( segid " " and resid 7 and name HN ))
( segid " " and resid 78 and name HD1%)
3.700 1.700 1.700 peak 2038 weight 0.10000E+01 volume 0.66402E-03 ppm1 9.043 ppm2 0.517 CV 1
ASSI { 897}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA ))
3.100 1.200 1.200 peak 897 weight 0.10000E+01 volume 0.12937E-02 ppm1 8.652 ppm2 5.017 CV 1
ASSI { 1286}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HA ))
3.700 1.700 1.700 peak 1286 weight 0.10000E+01 volume 0.42862E-03 ppm1 8.657 ppm2 4.196 CV 1
ASSI { 1736}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB1 ))
3.500 1.500 1.500 peak 1736 weight 0.10000E+01 volume 0.66064E-03 ppm1 8.652 ppm2 1.477 CV 1
OR { 1736}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB2 ))
ASSI { 1284}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA ))
2.100 0.600 0.600 peak 1284 weight 0.10000E+01 volume 0.91286E-02 ppm1 7.366 ppm2 4.196 CV 1
ASSI { 1837}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB2 ))
3.300 1.400 1.400 peak 1837 weight 0.10000E+01 volume 0.30519E-02 ppm1 7.366 ppm2 1.102 CV 1
OR { 1837}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB1 ))
ASSI { 1601}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB1 ))
2.400 0.700 0.700 peak 1601 weight 0.10000E+01 volume 0.58003E-02 ppm1 7.366 ppm2 1.970 CV 1
OR { 1601}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB2 ))
ASSI { 1947}
(( segid " " and resid 9 and name HN ))
( segid " " and resid 9 and name HD2%)
4.100 2.100 1.900 peak 1947 weight 0.10000E+01 volume 0.12554E-02 ppm1 7.366 ppm2 0.798 CV 1
ASSI { 1699}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HG ))
4.400 2.400 1.600 peak 1699 weight 0.10000E+01 volume 0.11335E-02 ppm1 7.366 ppm2 1.618 CV 1
ASSI { 1365}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 74 and name HA ))
3.900 1.900 1.900 peak 1365 weight 0.10000E+01 volume 0.18249E-02 ppm1 7.366 ppm2 3.727 CV 1
ASSI { 1304}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA ))
2.700 0.900 0.900 peak 1304 weight 0.10000E+01 volume 0.31496E-02 ppm1 8.466 ppm2 4.126 CV 1
ASSI { 1935}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 9 and name HD2%)
3.200 1.300 1.300 peak 1935 weight 0.10000E+01 volume 0.20623E-02 ppm1 8.466 ppm2 0.798 CV 1
ASSI { 1631}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB ))
3.000 1.100 1.100 peak 1631 weight 0.10000E+01 volume 0.24743E-02 ppm1 8.148 ppm2 1.852 CV 1
ASSI { 1866}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HG11))
2.800 1.000 1.000 peak 1866 weight 0.10000E+01 volume 0.33773E-02 ppm1 8.143 ppm2 1.009 CV 1
OR { 1866}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HG12))
ASSI { 1962}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 12 and name HG2%)
3.600 1.600 1.600 peak 1962 weight 0.10000E+01 volume 0.16736E-02 ppm1 8.148 ppm2 0.727 CV 1
ASSI { 525}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HN ))
3.500 1.500 1.500 peak 525 weight 0.10000E+01 volume 0.17232E-02 ppm1 7.997 ppm2 8.134 CV 1
ASSI { 1355}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HA1 ))
3.200 1.300 1.300 peak 1355 weight 0.10000E+01 volume 0.15537E-02 ppm1 7.997 ppm2 3.751 CV 1
OR { 1355}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HA2 ))
ASSI { 1320}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA1 ))
2.800 1.000 1.000 peak 1320 weight 0.10000E+01 volume 0.41048E-02 ppm1 7.410 ppm2 4.056 CV 1
OR { 1320}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA2 ))
ASSI { 1660}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB ))
2.800 1.000 1.000 peak 1660 weight 0.10000E+01 volume 0.83329E-02 ppm1 7.410 ppm2 1.759 CV 1
ASSI { 1964}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 16 and name HD1%)
3.400 1.400 1.400 peak 1964 weight 0.10000E+01 volume 0.26066E-02 ppm1 7.405 ppm2 0.727 CV 1
ASSI { 1773}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HG11))
2.900 1.000 1.000 peak 1773 weight 0.10000E+01 volume 0.35321E-02 ppm1 7.410 ppm2 1.313 CV 1
OR { 1773}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HG12))
ASSI { 901}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA ))
2.700 0.900 0.900 peak 901 weight 0.10000E+01 volume 0.34201E-02 ppm1 7.737 ppm2 4.993 CV 1
ASSI { 1641}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB2 ))
2.900 1.100 1.100 peak 1641 weight 0.10000E+01 volume 0.23381E-02 ppm1 7.737 ppm2 1.829 CV 1
OR { 1641}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB1 ))
ASSI { 1585}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HG1 ))
3.200 1.200 1.200 peak 1585 weight 0.10000E+01 volume 0.18412E-02 ppm1 7.737 ppm2 2.040 CV 1
OR { 1585}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HG2 ))
ASSI { 1684}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB1 ))
3.200 1.300 1.300 peak 1684 weight 0.10000E+01 volume 0.11300E-02 ppm1 8.334 ppm2 1.688 CV 1
OR { 1684}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB2 ))
ASSI { 999}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA ))
3.000 1.100 1.100 peak 999 weight 0.10000E+01 volume 0.19725E-02 ppm1 8.329 ppm2 4.688 CV 1
ASSI { 1638}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB ))
3.100 1.200 1.200 peak 1638 weight 0.10000E+01 volume 0.15749E-02 ppm1 8.329 ppm2 1.829 CV 1
ASSI { 2071}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 19 and name HG1%)
2.400 0.700 0.700 peak 2071 weight 0.10000E+01 volume 0.66364E-02 ppm1 8.334 ppm2 0.306 CV 1
ASSI { 2030}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 19 and name HG2%)
3.900 1.900 1.900 peak 2030 weight 0.10000E+01 volume 0.14456E-02 ppm1 8.329 ppm2 0.563 CV 1
ASSI { 1001}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA ))
2.300 0.600 0.600 peak 1001 weight 0.10000E+01 volume 0.10070E-01 ppm1 8.486 ppm2 4.688 CV 1
ASSI { 2075}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 19 and name HG1%)
3.500 1.500 1.500 peak 2075 weight 0.10000E+01 volume 0.22540E-02 ppm1 8.486 ppm2 0.306 CV 1
ASSI { 2029}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 19 and name HG2%)
2.900 1.000 1.000 peak 2029 weight 0.10000E+01 volume 0.25332E-02 ppm1 8.490 ppm2 0.563 CV 1
ASSI { 960}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
2.700 0.900 0.900 peak 960 weight 0.10000E+01 volume 0.36587E-02 ppm1 8.490 ppm2 4.806 CV 1
ASSI { 1360}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB ))
2.500 0.800 0.800 peak 1360 weight 0.10000E+01 volume 0.61962E-02 ppm1 8.486 ppm2 3.727 CV 1
ASSI { 1889}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 20 and name HG2%)
4.100 2.100 1.900 peak 1889 weight 0.10000E+01 volume 0.11342E-02 ppm1 8.490 ppm2 0.915 CV 1
ASSI { 1674}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 41 and name HB ))
3.300 1.400 1.400 peak 1674 weight 0.10000E+01 volume 0.24545E-02 ppm1 8.486 ppm2 1.712 CV 1
ASSI { 954}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA ))
2.100 0.500 0.500 peak 954 weight 0.10000E+01 volume 0.17468E-01 ppm1 8.495 ppm2 4.829 CV 1
ASSI { 1372}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB ))
3.200 1.300 1.300 peak 1372 weight 0.10000E+01 volume 0.14855E-02 ppm1 8.500 ppm2 3.704 CV 1
ASSI { 1895}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 20 and name HG2%)
2.400 0.700 0.700 peak 1895 weight 0.10000E+01 volume 0.45433E-02 ppm1 8.495 ppm2 0.915 CV 1
ASSI { 1407}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HA ))
2.600 0.900 0.900 peak 1407 weight 0.10000E+01 volume 0.24901E-02 ppm1 8.495 ppm2 3.470 CV 1
ASSI { 2117}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 21 and name HG2%)
3.300 1.300 1.300 peak 2117 weight 0.10000E+01 volume 0.14415E-02 ppm1 8.495 ppm2 -0.093 CV 1
ASSI { 2084}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 21 and name HG1%)
2.300 0.700 0.700 peak 2084 weight 0.10000E+01 volume 0.84126E-02 ppm1 8.495 ppm2 0.282 CV 1
ASSI { 212}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 42 and name HN ))
4.200 2.200 1.800 peak 212 weight 0.10000E+01 volume 0.88839E-03 ppm1 8.500 ppm2 9.001 CV 1
ASSI { 625}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 67 and name HN ))
4.200 2.300 1.800 peak 625 weight 0.10000E+01 volume 0.71037E-03 ppm1 8.495 ppm2 7.642 CV 1
ASSI { 1259}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 68 and name HA ))
3.900 1.900 1.900 peak 1259 weight 0.10000E+01 volume 0.13666E-02 ppm1 8.500 ppm2 4.290 CV 1
ASSI { 1401}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
2.200 0.600 0.600 peak 1401 weight 0.10000E+01 volume 0.67323E-02 ppm1 8.437 ppm2 3.470 CV 1
ASSI { 2110}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 21 and name HG2%)
3.600 1.600 1.600 peak 2110 weight 0.10000E+01 volume 0.13245E-02 ppm1 8.432 ppm2 -0.069 CV 1
ASSI { 2081}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 21 and name HG1%)
4.200 2.200 1.800 peak 2081 weight 0.10000E+01 volume 0.61442E-03 ppm1 8.437 ppm2 0.282 CV 1
ASSI { 373}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HN ))
3.700 1.700 1.700 peak 373 weight 0.10000E+01 volume 0.14535E-02 ppm1 8.432 ppm2 8.509 CV 1
ASSI { 1243}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HA ))
3.100 1.200 1.200 peak 1243 weight 0.10000E+01 volume 0.15384E-02 ppm1 8.437 ppm2 4.360 CV 1
ASSI { 1701}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB2 ))
3.500 1.500 1.500 peak 1701 weight 0.10000E+01 volume 0.14001E-02 ppm1 8.437 ppm2 1.595 CV 1
ASSI { 1764}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB1 ))
2.500 0.800 0.800 peak 1764 weight 0.10000E+01 volume 0.29252E-02 ppm1 8.437 ppm2 1.360 CV 1
ASSI { 1279}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HA ))
4.900 3.000 1.100 peak 1279 weight 0.10000E+01 volume 0.36730E-03 ppm1 8.427 ppm2 4.220 CV 1
ASSI { 1799}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HB2 ))
4.200 2.200 1.800 peak 1799 weight 0.10000E+01 volume 0.99547E-03 ppm1 8.427 ppm2 1.267 CV 1
OR { 1799}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HB1 ))
ASSI { 276}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 40 and name HN ))
4.200 2.200 1.800 peak 276 weight 0.10000E+01 volume 0.41493E-03 ppm1 8.432 ppm2 8.720 CV 1
ASSI { 842}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 41 and name HA ))
2.500 0.800 0.800 peak 842 weight 0.10000E+01 volume 0.32821E-02 ppm1 8.437 ppm2 5.274 CV 1
ASSI { 2016}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 41 and name HG2%)
4.500 2.500 1.500 peak 2016 weight 0.10000E+01 volume 0.98742E-03 ppm1 8.432 ppm2 0.563 CV 1
ASSI { 1403}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 21 and name HA ))
3.800 1.800 1.800 peak 1403 weight 0.10000E+01 volume 0.17685E-02 ppm1 7.204 ppm2 3.470 CV 1
ASSI { 2113}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 21 and name HG2%)
2.900 1.100 1.100 peak 2113 weight 0.10000E+01 volume 0.37099E-02 ppm1 7.204 ppm2 -0.093 CV 1
ASSI { 1244}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HA ))
3.100 1.200 1.200 peak 1244 weight 0.10000E+01 volume 0.23257E-02 ppm1 7.200 ppm2 4.360 CV 1
ASSI { 1763}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB1 ))
3.100 1.200 1.200 peak 1763 weight 0.10000E+01 volume 0.38646E-02 ppm1 7.204 ppm2 1.360 CV 1
ASSI { 449}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HN ))
2.200 0.600 0.600 peak 449 weight 0.10000E+01 volume 0.89949E-02 ppm1 7.204 ppm2 8.415 CV 1
ASSI { 1287}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HA ))
2.600 0.900 0.900 peak 1287 weight 0.10000E+01 volume 0.41145E-02 ppm1 7.204 ppm2 4.196 CV 1
ASSI { 1704}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB2 ))
2.700 0.900 0.900 peak 1704 weight 0.10000E+01 volume 0.38606E-02 ppm1 7.204 ppm2 1.595 CV 1
OR { 1704}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB1 ))
ASSI { 938}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HA ))
3.500 1.600 1.600 peak 938 weight 0.10000E+01 volume 0.10993E-02 ppm1 7.200 ppm2 4.876 CV 1
ASSI { 1666}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 40 and name HB1 ))
2.700 0.900 0.900 peak 1666 weight 0.10000E+01 volume 0.54593E-02 ppm1 7.204 ppm2 1.735 CV 1
ASSI { 274}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 40 and name HN ))
2.600 0.900 0.900 peak 274 weight 0.10000E+01 volume 0.45458E-02 ppm1 7.204 ppm2 8.720 CV 1
ASSI { 838}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 41 and name HA ))
4.400 2.400 1.600 peak 838 weight 0.10000E+01 volume 0.96124E-03 ppm1 7.200 ppm2 5.274 CV 1
ASSI { 1927}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 65 and name HD2%)
3.400 1.400 1.400 peak 1927 weight 0.10000E+01 volume 0.12935E-02 ppm1 7.200 ppm2 0.821 CV 1
ASSI { 2119}
(( segid " " and resid 24 and name HE1 ))
( segid " " and resid 21 and name HG2%)
3.100 1.200 1.200 peak 2119 weight 0.10000E+01 volume 0.17105E-02 ppm1 9.136 ppm2 -0.093 CV 1
ASSI { 1282}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HA ))
2.200 0.600 0.600 peak 1282 weight 0.10000E+01 volume 0.12754E-01 ppm1 8.593 ppm2 4.196 CV 1
ASSI { 1702}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB1 ))
3.700 1.700 1.700 peak 1702 weight 0.10000E+01 volume 0.11014E-02 ppm1 8.598 ppm2 1.595 CV 1
OR { 1702}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB2 ))
ASSI { 933}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA ))
3.000 1.200 1.200 peak 933 weight 0.10000E+01 volume 0.18442E-02 ppm1 8.593 ppm2 4.876 CV 1
ASSI { 1375}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HB1 ))
3.800 1.800 1.800 peak 1375 weight 0.10000E+01 volume 0.18567E-02 ppm1 8.593 ppm2 3.657 CV 1
ASSI { 1442}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HB2 ))
2.600 0.800 0.800 peak 1442 weight 0.10000E+01 volume 0.40275E-02 ppm1 8.593 ppm2 3.095 CV 1
ASSI { 629}
(( segid " " and resid 24 and name HE1 ))
(( segid " " and resid 24 and name HZ2 ))
2.800 1.000 1.000 peak 629 weight 0.10000E+01 volume 0.28054E-02 ppm1 9.136 ppm2 7.618 CV 1
ASSI { 885}
(( segid " " and resid 24 and name HE1 ))
(( segid " " and resid 64 and name HA ))
2.600 0.900 0.900 peak 885 weight 0.10000E+01 volume 0.23379E-02 ppm1 9.136 ppm2 5.110 CV 1
ASSI { 1384}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HB1 ))
3.200 1.300 1.300 peak 1384 weight 0.10000E+01 volume 0.17181E-02 ppm1 8.530 ppm2 3.634 CV 1
ASSI { 586}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HE3 ))
3.000 1.100 1.100 peak 586 weight 0.10000E+01 volume 0.21724E-02 ppm1 8.520 ppm2 7.829 CV 1
ASSI { 768}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HZ3 ))
3.700 1.700 1.700 peak 768 weight 0.10000E+01 volume 0.22551E-02 ppm1 8.520 ppm2 6.821 CV 1
ASSI { 976}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HA ))
2.900 1.100 1.100 peak 976 weight 0.10000E+01 volume 0.23733E-02 ppm1 8.515 ppm2 4.782 CV 1
ASSI { 1547}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB2 ))
2.600 0.900 0.900 peak 1547 weight 0.10000E+01 volume 0.38442E-02 ppm1 8.520 ppm2 2.392 CV 1
OR { 1547}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB1 ))
ASSI { 688}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HN ))
2.200 0.600 0.600 peak 688 weight 0.10000E+01 volume 0.78443E-02 ppm1 8.525 ppm2 7.360 CV 1
ASSI { 1821}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 38 and name HG12))
4.500 2.500 1.500 peak 1821 weight 0.10000E+01 volume 0.78018E-03 ppm1 8.530 ppm2 1.173 CV 1
OR { 1821}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 38 and name HG11))
ASSI { 1383}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 24 and name HB1 ))
2.800 1.000 1.000 peak 1383 weight 0.10000E+01 volume 0.29591E-02 ppm1 7.376 ppm2 3.634 CV 1
ASSI { 1443}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 24 and name HB2 ))
4.500 2.600 1.500 peak 1443 weight 0.10000E+01 volume 0.12128E-02 ppm1 7.376 ppm2 3.095 CV 1
ASSI { 588}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 24 and name HE3 ))
3.200 1.300 1.300 peak 588 weight 0.10000E+01 volume 0.11325E-02 ppm1 7.381 ppm2 7.829 CV 1
ASSI { 928}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HA ))
2.700 0.900 0.900 peak 928 weight 0.10000E+01 volume 0.30194E-02 ppm1 7.376 ppm2 4.923 CV 1
ASSI { 1855}
(( segid " " and resid 26 and name HN ))
( segid " " and resid 26 and name HG2%)
2.600 0.800 0.800 peak 1855 weight 0.10000E+01 volume 0.67724E-02 ppm1 7.390 ppm2 1.032 CV 1
ASSI { 1818}
(( segid " " and resid 26 and name HN ))
( segid " " and resid 26 and name HG1%)
2.900 1.000 1.000 peak 1818 weight 0.10000E+01 volume 0.15280E-02 ppm1 7.376 ppm2 1.173 CV 1
ASSI { 914}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA ))
2.000 0.500 0.500 peak 914 weight 0.10000E+01 volume 0.17417E-01 ppm1 8.578 ppm2 4.946 CV 1
ASSI { 1557}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB ))
2.100 0.500 0.500 peak 1557 weight 0.10000E+01 volume 0.87714E-02 ppm1 8.578 ppm2 2.298 CV 1
ASSI { 1857}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 26 and name HG2%)
3.700 1.700 1.700 peak 1857 weight 0.10000E+01 volume 0.23189E-02 ppm1 8.574 ppm2 1.032 CV 1
ASSI { 1826}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 26 and name HG1%)
3.100 1.200 1.200 peak 1826 weight 0.10000E+01 volume 0.31046E-02 ppm1 8.578 ppm2 1.149 CV 1
ASSI { 1232}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HA ))
2.500 0.800 0.800 peak 1232 weight 0.10000E+01 volume 0.37502E-02 ppm1 8.578 ppm2 4.384 CV 1
ASSI { 1682}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB2 ))
2.600 0.900 0.900 peak 1682 weight 0.10000E+01 volume 0.35663E-02 ppm1 8.578 ppm2 1.688 CV 1
OR { 1682}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB1 ))
ASSI { 1476}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 30 and name HB1 ))
2.600 0.900 0.900 peak 1476 weight 0.10000E+01 volume 0.32888E-02 ppm1 8.578 ppm2 2.860 CV 1
OR { 1476}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 30 and name HB2 ))
ASSI { 1540}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 58 and name HB ))
3.700 1.700 1.700 peak 1540 weight 0.10000E+01 volume 0.11197E-02 ppm1 8.574 ppm2 2.415 CV 1
ASSI { 1229}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HA ))
1.900 0.500 0.500 peak 1229 weight 0.10000E+01 volume 0.19876E-01 ppm1 8.740 ppm2 4.407 CV 1
ASSI { 1686}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB1 ))
2.100 0.600 0.600 peak 1686 weight 0.10000E+01 volume 0.13791E-01 ppm1 8.740 ppm2 1.688 CV 1
OR { 1686}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB2 ))
ASSI { 1415}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HA ))
2.300 0.700 0.700 peak 1415 weight 0.10000E+01 volume 0.63543E-02 ppm1 8.740 ppm2 3.399 CV 1
ASSI { 1658}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HB2 ))
2.400 0.700 0.700 peak 1658 weight 0.10000E+01 volume 0.11309E-01 ppm1 8.745 ppm2 1.759 CV 1
OR { 1658}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HB1 ))
ASSI { 1602}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HG1 ))
2.300 0.600 0.600 peak 1602 weight 0.10000E+01 volume 0.67772E-02 ppm1 8.740 ppm2 1.970 CV 1
OR { 1602}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HG2 ))
ASSI { 2026}
(( segid " " and resid 28 and name HN ))
( segid " " and resid 58 and name HG2%)
3.800 1.800 1.800 peak 2026 weight 0.10000E+01 volume 0.11164E-02 ppm1 8.740 ppm2 0.563 CV 1
ASSI { 1200}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 61 and name HA ))
4.200 2.200 1.800 peak 1200 weight 0.10000E+01 volume 0.14108E-02 ppm1 8.740 ppm2 4.501 CV 1
ASSI { 2104}
(( segid " " and resid 28 and name HN ))
( segid " " and resid 61 and name HD1%)
2.800 1.000 1.000 peak 2104 weight 0.10000E+01 volume 0.29332E-02 ppm1 8.740 ppm2 0.024 CV 1
ASSI { 247}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 61 and name HN ))
3.500 1.500 1.500 peak 247 weight 0.10000E+01 volume 0.37523E-02 ppm1 8.745 ppm2 8.813 CV 1
ASSI { 1414}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HA ))
2.100 0.600 0.600 peak 1414 weight 0.10000E+01 volume 0.94217E-02 ppm1 9.175 ppm2 3.399 CV 1
ASSI { 1237}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HA2 ))
2.900 1.100 1.100 peak 1237 weight 0.10000E+01 volume 0.21551E-02 ppm1 9.175 ppm2 4.384 CV 1
OR { 1237}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HA1 ))
ASSI { 549}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 30 and name HN ))
2.900 1.000 1.000 peak 549 weight 0.10000E+01 volume 0.19861E-02 ppm1 9.175 ppm2 7.946 CV 1
ASSI { 1539}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 58 and name HB ))
3.400 1.400 1.400 peak 1539 weight 0.10000E+01 volume 0.11369E-02 ppm1 9.175 ppm2 2.415 CV 1
ASSI { 2015}
(( segid " " and resid 29 and name HN ))
( segid " " and resid 58 and name HG2%)
3.500 1.600 1.600 peak 2015 weight 0.10000E+01 volume 0.11369E-02 ppm1 9.180 ppm2 0.563 CV 1
ASSI { 1561}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 26 and name HB ))
4.100 2.100 1.900 peak 1561 weight 0.10000E+01 volume 0.11040E-02 ppm1 7.953 ppm2 2.274 CV 1
ASSI { 334}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 27 and name HN ))
3.900 1.900 1.900 peak 334 weight 0.10000E+01 volume 0.14213E-02 ppm1 7.953 ppm2 8.579 CV 1
ASSI { 1238}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HA2 ))
3.000 1.100 1.100 peak 1238 weight 0.10000E+01 volume 0.29487E-02 ppm1 7.953 ppm2 4.384 CV 1
OR { 1238}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HA1 ))
ASSI { 1004}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HA ))
2.600 0.800 0.800 peak 1004 weight 0.10000E+01 volume 0.60830E-02 ppm1 7.953 ppm2 4.688 CV 1
ASSI { 1477}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HB2 ))
2.300 0.600 0.600 peak 1477 weight 0.10000E+01 volume 0.10433E-01 ppm1 7.953 ppm2 2.860 CV 1
OR { 1477}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HB1 ))
ASSI { 1542}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 58 and name HB ))
2.400 0.700 0.700 peak 1542 weight 0.10000E+01 volume 0.54953E-02 ppm1 7.953 ppm2 2.415 CV 1
ASSI { 1970}
(( segid " " and resid 30 and name HN ))
( segid " " and resid 58 and name HD1%)
3.700 1.700 1.700 peak 1970 weight 0.10000E+01 volume 0.14690E-02 ppm1 7.953 ppm2 0.704 CV 1
ASSI { 2023}
(( segid " " and resid 30 and name HN ))
( segid " " and resid 58 and name HG2%)
3.600 1.600 1.600 peak 2023 weight 0.10000E+01 volume 0.15783E-02 ppm1 7.953 ppm2 0.563 CV 1
ASSI { 1006}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HA ))
2.200 0.600 0.600 peak 1006 weight 0.10000E+01 volume 0.12207E-01 ppm1 8.486 ppm2 4.688 CV 1
ASSI { 1495}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HB1 ))
3.000 1.100 1.100 peak 1495 weight 0.10000E+01 volume 0.38611E-02 ppm1 8.486 ppm2 2.720 CV 1
OR { 1495}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HB2 ))
ASSI { 942}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HA ))
2.800 1.000 1.000 peak 942 weight 0.10000E+01 volume 0.23428E-02 ppm1 8.486 ppm2 4.852 CV 1
ASSI { 1322}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HB ))
2.700 0.900 0.900 peak 1322 weight 0.10000E+01 volume 0.46120E-02 ppm1 8.486 ppm2 4.056 CV 1
ASSI { 1822}
(( segid " " and resid 31 and name HN ))
( segid " " and resid 31 and name HG2%)
3.900 1.900 1.900 peak 1822 weight 0.10000E+01 volume 0.17554E-02 ppm1 8.486 ppm2 1.173 CV 1
ASSI { 1958}
(( segid " " and resid 31 and name HN ))
( segid " " and resid 32 and name HG2%)
3.900 1.900 1.900 peak 1958 weight 0.10000E+01 volume 0.12779E-02 ppm1 8.481 ppm2 0.751 CV 1
ASSI { 947}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HA ))
2.000 0.500 0.500 peak 947 weight 0.10000E+01 volume 0.12834E-01 ppm1 9.287 ppm2 4.852 CV 1
ASSI { 1823}
(( segid " " and resid 32 and name HN ))
( segid " " and resid 31 and name HG2%)
2.800 1.000 1.000 peak 1823 weight 0.10000E+01 volume 0.22909E-02 ppm1 9.287 ppm2 1.173 CV 1
ASSI { 1932}
(( segid " " and resid 32 and name HN ))
( segid " " and resid 32 and name HG2%)
3.300 1.300 1.300 peak 1932 weight 0.10000E+01 volume 0.37626E-02 ppm1 9.292 ppm2 0.821 CV 1
ASSI { 1903}
(( segid " " and resid 32 and name HN ))
( segid " " and resid 32 and name HG1%)
2.600 0.900 0.900 peak 1903 weight 0.10000E+01 volume 0.19143E-02 ppm1 9.292 ppm2 0.915 CV 1
ASSI { 944}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HA ))
2.100 0.500 0.500 peak 944 weight 0.10000E+01 volume 0.12224E-01 ppm1 8.970 ppm2 4.852 CV 1
ASSI { 1570}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HB ))
2.500 0.800 0.800 peak 1570 weight 0.10000E+01 volume 0.40132E-02 ppm1 8.970 ppm2 2.181 CV 1
ASSI { 1938}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 32 and name HG2%)
3.200 1.300 1.300 peak 1938 weight 0.10000E+01 volume 0.12200E-02 ppm1 8.979 ppm2 0.798 CV 1
ASSI { 839}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HA ))
2.900 1.000 1.000 peak 839 weight 0.10000E+01 volume 0.20180E-02 ppm1 8.970 ppm2 5.274 CV 1
ASSI { 1343}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HB1 ))
3.300 1.400 1.400 peak 1343 weight 0.10000E+01 volume 0.13767E-02 ppm1 8.970 ppm2 3.845 CV 1
ASSI { 1388}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HB2 ))
2.900 1.000 1.000 peak 1388 weight 0.10000E+01 volume 0.27405E-02 ppm1 8.970 ppm2 3.610 CV 1
ASSI { 1465}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 36 and name HB2 ))
2.900 1.000 1.000 peak 1465 weight 0.10000E+01 volume 0.22064E-02 ppm1 8.970 ppm2 2.931 CV 1
OR { 1465}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 36 and name HB1 ))
ASSI { 837}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HA ))
2.100 0.500 0.500 peak 837 weight 0.10000E+01 volume 0.14158E-01 ppm1 8.412 ppm2 5.298 CV 1
ASSI { 1347}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HB1 ))
2.600 0.800 0.800 peak 1347 weight 0.10000E+01 volume 0.58244E-02 ppm1 8.412 ppm2 3.845 CV 1
ASSI { 1449}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HA ))
2.500 0.800 0.800 peak 1449 weight 0.10000E+01 volume 0.56298E-02 ppm1 8.412 ppm2 3.071 CV 1
ASSI { 1752}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB2 ))
2.400 0.700 0.700 peak 1752 weight 0.10000E+01 volume 0.70663E-02 ppm1 8.412 ppm2 1.407 CV 1
OR { 1752}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB1 ))
ASSI { 1654}
(( segid " " and resid 34 and name HE22))
(( segid " " and resid 34 and name HG2 ))
3.200 1.300 1.300 peak 1654 weight 0.10000E+01 volume 0.11295E-02 ppm1 7.165 ppm2 1.782 CV 1
OR { 1654}
(( segid " " and resid 34 and name HE22))
(( segid " " and resid 34 and name HG1 ))
ASSI { 875}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 55 and name HA ))
3.300 1.400 1.400 peak 875 weight 0.10000E+01 volume 0.32053E-02 ppm1 8.412 ppm2 5.134 CV 1
ASSI { 1326}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HA ))
2.500 0.800 0.800 peak 1326 weight 0.10000E+01 volume 0.77981E-02 ppm1 8.647 ppm2 4.032 CV 1
ASSI { 1458}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HB2 ))
3.300 1.300 1.300 peak 1458 weight 0.10000E+01 volume 0.12087E-02 ppm1 8.647 ppm2 2.977 CV 1
OR { 1458}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HB1 ))
ASSI { 268}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 37 and name HN ))
4.200 2.200 1.800 peak 268 weight 0.10000E+01 volume 0.12665E-02 ppm1 8.642 ppm2 8.720 CV 1
ASSI { 1446}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 34 and name HA ))
3.100 1.200 1.200 peak 1446 weight 0.10000E+01 volume 0.23593E-02 ppm1 8.148 ppm2 3.071 CV 1
ASSI { 1323}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HA ))
3.400 1.400 1.400 peak 1323 weight 0.10000E+01 volume 0.15231E-02 ppm1 8.148 ppm2 4.032 CV 1
ASSI { 312}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HN ))
2.500 0.800 0.800 peak 312 weight 0.10000E+01 volume 0.45330E-02 ppm1 8.143 ppm2 8.626 CV 1
ASSI { 1003}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HA ))
2.600 0.800 0.800 peak 1003 weight 0.10000E+01 volume 0.52688E-02 ppm1 8.143 ppm2 4.688 CV 1
ASSI { 1468}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB2 ))
2.300 0.700 0.700 peak 1468 weight 0.10000E+01 volume 0.93365E-02 ppm1 8.143 ppm2 2.931 CV 1
OR { 1468}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB1 ))
ASSI { 1394}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 52 and name HB2 ))
3.300 1.400 1.400 peak 1394 weight 0.10000E+01 volume 0.14187E-02 ppm1 8.143 ppm2 3.517 CV 1
OR { 1394}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 52 and name HB1 ))
ASSI { 1499}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HB1 ))
4.000 2.000 2.000 peak 1499 weight 0.10000E+01 volume 0.13610E-02 ppm1 8.750 ppm2 2.696 CV 1
OR { 1499}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HB2 ))
ASSI { 1424}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HB1 ))
3.000 1.100 1.100 peak 1424 weight 0.10000E+01 volume 0.26834E-02 ppm1 8.750 ppm2 3.352 CV 1
OR { 1424}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HB2 ))
ASSI { 1302}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HA ))
2.400 0.700 0.700 peak 1302 weight 0.10000E+01 volume 0.54143E-02 ppm1 9.410 ppm2 4.149 CV 1
ASSI { 1614}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB ))
2.700 0.900 0.900 peak 1614 weight 0.10000E+01 volume 0.23364E-02 ppm1 9.415 ppm2 1.923 CV 1
ASSI { 884}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 51 and name HA ))
3.200 1.200 1.200 peak 884 weight 0.10000E+01 volume 0.20367E-02 ppm1 9.410 ppm2 5.110 CV 1
ASSI { 1298}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 37 and name HA ))
4.100 2.100 1.900 peak 1298 weight 0.10000E+01 volume 0.16942E-02 ppm1 7.913 ppm2 4.149 CV 1
ASSI { 1000}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HA ))
3.100 1.200 1.200 peak 1000 weight 0.10000E+01 volume 0.18920E-02 ppm1 7.918 ppm2 4.688 CV 1
ASSI { 1616}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HB ))
2.000 0.500 0.500 peak 1616 weight 0.10000E+01 volume 0.82125E-02 ppm1 7.913 ppm2 1.923 CV 1
ASSI { 1805}
(( segid " " and resid 39 and name HN ))
( segid " " and resid 38 and name HG2%)
3.000 1.200 1.200 peak 1805 weight 0.10000E+01 volume 0.24121E-02 ppm1 7.913 ppm2 1.220 CV 1
ASSI { 29}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HN ))
2.300 0.700 0.700 peak 29 weight 0.10000E+01 volume 0.10307E-01 ppm1 7.918 ppm2 9.423 CV 1
ASSI { 932}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HA ))
2.500 0.800 0.800 peak 932 weight 0.10000E+01 volume 0.43453E-02 ppm1 7.918 ppm2 4.876 CV 1
ASSI { 1473}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HB1 ))
3.200 1.300 1.300 peak 1473 weight 0.10000E+01 volume 0.12023E-02 ppm1 7.913 ppm2 2.884 CV 1
OR { 1473}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HB2 ))
ASSI { 1550}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 50 and name HB ))
2.300 0.700 0.700 peak 1550 weight 0.10000E+01 volume 0.49295E-02 ppm1 7.918 ppm2 2.368 CV 1
ASSI { 1719}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 50 and name HG11))
3.700 1.700 1.700 peak 1719 weight 0.10000E+01 volume 0.15895E-02 ppm1 7.918 ppm2 1.548 CV 1
OR { 1719}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 50 and name HG12))
ASSI { 1863}
(( segid " " and resid 39 and name HN ))
( segid " " and resid 50 and name HG2%)
3.700 1.700 1.700 peak 1863 weight 0.10000E+01 volume 0.19566E-02 ppm1 7.913 ppm2 1.009 CV 1
ASSI { 86}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 50 and name HN ))
3.300 1.300 1.300 peak 86 weight 0.10000E+01 volume 0.25580E-02 ppm1 7.918 ppm2 9.188 CV 1
ASSI { 881}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 51 and name HA ))
4.000 2.000 2.000 peak 881 weight 0.10000E+01 volume 0.96249E-03 ppm1 7.918 ppm2 5.110 CV 1
ASSI { 1788}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 23 and name HB1 ))
3.700 1.700 1.700 peak 1788 weight 0.10000E+01 volume 0.11745E-02 ppm1 8.735 ppm2 1.267 CV 1
OR { 1788}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 23 and name HB2 ))
ASSI { 1519}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HB2 ))
2.800 1.000 1.000 peak 1519 weight 0.10000E+01 volume 0.56335E-02 ppm1 8.730 ppm2 2.556 CV 1
OR { 1519}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HB1 ))
ASSI { 852}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HA ))
3.000 1.100 1.100 peak 852 weight 0.10000E+01 volume 0.16652E-02 ppm1 8.725 ppm2 5.251 CV 1
ASSI { 1592}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HB2 ))
3.200 1.300 1.300 peak 1592 weight 0.10000E+01 volume 0.23553E-02 ppm1 8.730 ppm2 1.993 CV 1
ASSI { 1667}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HB1 ))
2.600 0.900 0.900 peak 1667 weight 0.10000E+01 volume 0.36645E-02 ppm1 8.725 ppm2 1.735 CV 1
ASSI { 851}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HA ))
2.000 0.500 0.500 peak 851 weight 0.10000E+01 volume 0.14722E-01 ppm1 9.180 ppm2 5.251 CV 1
ASSI { 1587}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HB2 ))
3.300 1.400 1.400 peak 1587 weight 0.10000E+01 volume 0.21470E-02 ppm1 9.180 ppm2 2.017 CV 1
ASSI { 1982}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 41 and name HG1%)
2.700 0.900 0.900 peak 1982 weight 0.10000E+01 volume 0.68518E-02 ppm1 9.180 ppm2 0.681 CV 1
ASSI { 2028}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 41 and name HG2%)
2.800 1.000 1.000 peak 2028 weight 0.10000E+01 volume 0.30963E-02 ppm1 9.175 ppm2 0.563 CV 1
ASSI { 1670}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 48 and name HB ))
3.200 1.300 1.300 peak 1670 weight 0.10000E+01 volume 0.13040E-02 ppm1 9.180 ppm2 1.735 CV 1
ASSI { 1924}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 48 and name HG1%)
4.100 2.100 1.900 peak 1924 weight 0.10000E+01 volume 0.54837E-03 ppm1 9.185 ppm2 0.821 CV 1
ASSI { 957}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 49 and name HA ))
3.500 1.500 1.500 peak 957 weight 0.10000E+01 volume 0.12371E-02 ppm1 9.175 ppm2 4.829 CV 1
ASSI { 1396}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 21 and name HA ))
4.600 2.700 1.400 peak 1396 weight 0.10000E+01 volume 0.64292E-03 ppm1 9.014 ppm2 3.493 CV 1
ASSI { 427}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 22 and name HN ))
3.600 1.600 1.600 peak 427 weight 0.10000E+01 volume 0.21560E-02 ppm1 9.014 ppm2 8.462 CV 1
ASSI { 844}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HA ))
2.200 0.600 0.600 peak 844 weight 0.10000E+01 volume 0.85361E-02 ppm1 9.014 ppm2 5.274 CV 1
ASSI { 1677}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HB ))
2.800 1.000 1.000 peak 1677 weight 0.10000E+01 volume 0.44716E-02 ppm1 9.014 ppm2 1.712 CV 1
ASSI { 2034}
(( segid " " and resid 42 and name HN ))
( segid " " and resid 41 and name HG2%)
3.800 1.800 1.800 peak 2034 weight 0.10000E+01 volume 0.16165E-02 ppm1 9.023 ppm2 0.563 CV 1
ASSI { 887}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HA ))
3.200 1.300 1.300 peak 887 weight 0.10000E+01 volume 0.11478E-02 ppm1 9.009 ppm2 5.087 CV 1
ASSI { 1650}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HB2 ))
2.700 0.900 0.900 peak 1650 weight 0.10000E+01 volume 0.38646E-02 ppm1 9.009 ppm2 1.806 CV 1
OR { 1650}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HB1 ))
ASSI { 1623}
(( segid " " and resid 42 and name HE22))
(( segid " " and resid 42 and name HB1 ))
4.000 2.000 2.000 peak 1623 weight 0.10000E+01 volume 0.11160E-02 ppm1 7.371 ppm2 1.876 CV 1
OR { 1623}
(( segid " " and resid 42 and name HE22))
(( segid " " and resid 42 and name HB2 ))
ASSI { 1368}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 43 and name HB2 ))
3.700 1.700 1.700 peak 1368 weight 0.10000E+01 volume 0.11375E-02 ppm1 9.019 ppm2 3.727 CV 1
OR { 1368}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 43 and name HB1 ))
ASSI { 891}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HA ))
2.300 0.700 0.700 peak 891 weight 0.10000E+01 volume 0.70236E-02 ppm1 8.813 ppm2 5.087 CV 1
ASSI { 907}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HA ))
3.300 1.300 1.300 peak 907 weight 0.10000E+01 volume 0.12150E-02 ppm1 8.813 ppm2 4.970 CV 1
ASSI { 1354}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HB1 ))
3.300 1.400 1.400 peak 1354 weight 0.10000E+01 volume 0.11234E-02 ppm1 8.813 ppm2 3.751 CV 1
OR { 1354}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HB2 ))
ASSI { 858}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 47 and name HA ))
3.600 1.600 1.600 peak 858 weight 0.10000E+01 volume 0.87198E-03 ppm1 8.818 ppm2 5.204 CV 1
ASSI { 1251}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HA ))
3.800 1.800 1.800 peak 1251 weight 0.10000E+01 volume 0.77962E-03 ppm1 7.708 ppm2 4.337 CV 1
ASSI { 1693}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HB1 ))
3.800 1.800 1.800 peak 1693 weight 0.10000E+01 volume 0.72013E-03 ppm1 7.708 ppm2 1.665 CV 1
OR { 1693}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HB2 ))
ASSI { 1178}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HA ))
3.300 1.400 1.400 peak 1178 weight 0.10000E+01 volume 0.11919E-02 ppm1 8.285 ppm2 4.548 CV 1
ASSI { 1377}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB2 ))
3.900 1.900 1.900 peak 1377 weight 0.10000E+01 volume 0.64735E-03 ppm1 8.285 ppm2 3.657 CV 1
OR { 1377}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB1 ))
ASSI { 1989}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 41 and name HG1%)
2.700 0.900 0.900 peak 1989 weight 0.10000E+01 volume 0.16896E-02 ppm1 9.170 ppm2 0.681 CV 1
ASSI { 2013}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 41 and name HG2%)
4.000 2.000 2.000 peak 2013 weight 0.10000E+01 volume 0.45670E-03 ppm1 9.165 ppm2 0.563 CV 1
ASSI { 202}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 41 and name HN ))
3.800 1.800 1.800 peak 202 weight 0.10000E+01 volume 0.53128E-03 ppm1 9.165 ppm2 9.024 CV 1
ASSI { 892}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 42 and name HA ))
3.600 1.600 1.600 peak 892 weight 0.10000E+01 volume 0.86455E-03 ppm1 9.170 ppm2 5.087 CV 1
ASSI { 863}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HA ))
2.200 0.600 0.600 peak 863 weight 0.10000E+01 volume 0.10041E-01 ppm1 9.170 ppm2 5.181 CV 1
ASSI { 1246}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HA ))
3.100 1.200 1.200 peak 1246 weight 0.10000E+01 volume 0.15472E-02 ppm1 9.170 ppm2 4.360 CV 1
ASSI { 1655}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HB ))
2.900 1.100 1.100 peak 1655 weight 0.10000E+01 volume 0.29976E-02 ppm1 9.165 ppm2 1.782 CV 1
ASSI { 1942}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 48 and name HG2%)
3.000 1.200 1.200 peak 1942 weight 0.10000E+01 volume 0.20656E-02 ppm1 9.170 ppm2 0.798 CV 1
ASSI { 1248}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HA ))
2.400 0.700 0.700 peak 1248 weight 0.10000E+01 volume 0.77598E-02 ppm1 8.583 ppm2 4.337 CV 1
ASSI { 1923}
(( segid " " and resid 49 and name HN ))
( segid " " and resid 48 and name HG1%)
2.800 1.000 1.000 peak 1923 weight 0.10000E+01 volume 0.53800E-02 ppm1 8.588 ppm2 0.821 CV 1
ASSI { 1338}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HB ))
3.200 1.300 1.300 peak 1338 weight 0.10000E+01 volume 0.29466E-02 ppm1 8.583 ppm2 3.938 CV 1
ASSI { 853}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 40 and name HA ))
3.400 1.400 1.400 peak 853 weight 0.10000E+01 volume 0.94115E-03 ppm1 9.190 ppm2 5.251 CV 1
ASSI { 951}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HA ))
2.400 0.700 0.700 peak 951 weight 0.10000E+01 volume 0.54347E-02 ppm1 9.185 ppm2 4.829 CV 1
ASSI { 345}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HN ))
4.500 2.500 1.500 peak 345 weight 0.10000E+01 volume 0.38263E-03 ppm1 9.195 ppm2 8.579 CV 1
ASSI { 1220}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HA ))
3.300 1.300 1.300 peak 1220 weight 0.10000E+01 volume 0.95608E-03 ppm1 9.185 ppm2 4.431 CV 1
ASSI { 1552}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HB ))
2.700 0.900 0.900 peak 1552 weight 0.10000E+01 volume 0.27094E-02 ppm1 9.185 ppm2 2.345 CV 1
ASSI { 2000}
(( segid " " and resid 50 and name HN ))
( segid " " and resid 50 and name HD1%)
4.400 2.400 1.600 peak 2000 weight 0.10000E+01 volume 0.64470E-03 ppm1 9.185 ppm2 0.610 CV 1
ASSI { 1723}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HG12))
3.100 1.200 1.200 peak 1723 weight 0.10000E+01 volume 0.13914E-02 ppm1 9.185 ppm2 1.548 CV 1
OR { 1723}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HG11))
ASSI { 1864}
(( segid " " and resid 50 and name HN ))
( segid " " and resid 50 and name HG2%)
4.100 2.100 1.900 peak 1864 weight 0.10000E+01 volume 0.16410E-02 ppm1 9.185 ppm2 1.009 CV 1
ASSI { 1215}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HA ))
2.400 0.700 0.700 peak 1215 weight 0.10000E+01 volume 0.52370E-02 ppm1 8.539 ppm2 4.431 CV 1
ASSI { 1860}
(( segid " " and resid 51 and name HN ))
( segid " " and resid 51 and name HG2%)
3.500 1.500 1.500 peak 1860 weight 0.10000E+01 volume 0.15535E-02 ppm1 8.549 ppm2 1.032 CV 1
ASSI { 1775}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 34 and name HB1 ))
4.100 2.100 1.900 peak 1775 weight 0.10000E+01 volume 0.14866E-02 ppm1 8.911 ppm2 1.313 CV 1
OR { 1775}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 34 and name HB2 ))
ASSI { 1843}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 34 and name HG2 ))
4.000 2.000 2.000 peak 1843 weight 0.10000E+01 volume 0.18891E-02 ppm1 8.911 ppm2 1.079 CV 1
OR { 1843}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 34 and name HG1 ))
ASSI { 1724}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 38 and name HG11))
3.600 1.600 1.600 peak 1724 weight 0.10000E+01 volume 0.11045E-02 ppm1 8.906 ppm2 1.524 CV 1
OR { 1724}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 38 and name HG12))
ASSI { 882}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HA ))
2.100 0.600 0.600 peak 882 weight 0.10000E+01 volume 0.12411E-01 ppm1 8.911 ppm2 5.110 CV 1
ASSI { 1346}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HB ))
2.500 0.800 0.800 peak 1346 weight 0.10000E+01 volume 0.54042E-02 ppm1 8.911 ppm2 3.845 CV 1
ASSI { 1300}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HA ))
2.500 0.800 0.800 peak 1300 weight 0.10000E+01 volume 0.64941E-02 ppm1 8.911 ppm2 4.149 CV 1
ASSI { 1393}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HB2 ))
2.400 0.700 0.700 peak 1393 weight 0.10000E+01 volume 0.70201E-02 ppm1 8.911 ppm2 3.517 CV 1
OR { 1393}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HB1 ))
ASSI { 1374}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HB2 ))
2.700 0.900 0.900 peak 1374 weight 0.10000E+01 volume 0.39962E-02 ppm1 6.036 ppm2 3.704 CV 1
OR { 1374}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HB1 ))
ASSI { 1810}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 53 and name HB1 ))
3.500 1.600 1.600 peak 1810 weight 0.10000E+01 volume 0.14485E-02 ppm1 6.041 ppm2 1.196 CV 1
OR { 1810}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 53 and name HB2 ))
ASSI { 666}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 54 and name HN ))
2.900 1.000 1.000 peak 666 weight 0.10000E+01 volume 0.23214E-02 ppm1 6.036 ppm2 7.501 CV 1
ASSI { 1371}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 52 and name HB1 ))
3.200 1.300 1.300 peak 1371 weight 0.10000E+01 volume 0.12933E-02 ppm1 7.513 ppm2 3.704 CV 1
OR { 1371}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 52 and name HB2 ))
ASSI { 1294}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HA ))
3.300 1.400 1.400 peak 1294 weight 0.10000E+01 volume 0.15228E-02 ppm1 7.517 ppm2 4.173 CV 1
ASSI { 1448}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HD1 ))
3.400 1.400 1.400 peak 1448 weight 0.10000E+01 volume 0.11633E-02 ppm1 7.513 ppm2 3.071 CV 1
OR { 1448}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HD2 ))
ASSI { 1011}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HA ))
2.600 0.900 0.900 peak 1011 weight 0.10000E+01 volume 0.39375E-02 ppm1 7.513 ppm2 4.642 CV 1
ASSI { 1464}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HB1 ))
3.500 1.500 1.500 peak 1464 weight 0.10000E+01 volume 0.14385E-02 ppm1 7.517 ppm2 2.931 CV 1
ASSI { 1597}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HB2 ))
2.800 1.000 1.000 peak 1597 weight 0.10000E+01 volume 0.27523E-02 ppm1 7.517 ppm2 1.970 CV 1
ASSI { 1014}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HA ))
2.100 0.600 0.600 peak 1014 weight 0.10000E+01 volume 0.16220E-01 ppm1 8.500 ppm2 4.642 CV 1
ASSI { 1462}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HB1 ))
2.700 0.900 0.900 peak 1462 weight 0.10000E+01 volume 0.37357E-02 ppm1 8.500 ppm2 2.931 CV 1
ASSI { 1594}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HB2 ))
3.900 1.900 1.900 peak 1594 weight 0.10000E+01 volume 0.16296E-02 ppm1 8.505 ppm2 1.993 CV 1
ASSI { 872}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HA ))
2.900 1.000 1.000 peak 872 weight 0.10000E+01 volume 0.25775E-02 ppm1 8.500 ppm2 5.134 CV 1
ASSI { 1491}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HB2 ))
3.000 1.100 1.100 peak 1491 weight 0.10000E+01 volume 0.19100E-02 ppm1 8.505 ppm2 2.767 CV 1
ASSI { 1512}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HB1 ))
3.000 1.100 1.100 peak 1512 weight 0.10000E+01 volume 0.53263E-02 ppm1 8.500 ppm2 2.579 CV 1
ASSI { 1824}
(( segid " " and resid 56 and name HN ))
( segid " " and resid 31 and name HG2%)
3.400 1.500 1.500 peak 1824 weight 0.10000E+01 volume 0.11776E-02 ppm1 8.828 ppm2 1.173 CV 1
ASSI { 949}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 32 and name HA ))
3.600 1.700 1.700 peak 949 weight 0.10000E+01 volume 0.12651E-02 ppm1 8.823 ppm2 4.852 CV 1
ASSI { 1944}
(( segid " " and resid 56 and name HN ))
( segid " " and resid 32 and name HG2%)
3.200 1.300 1.300 peak 1944 weight 0.10000E+01 volume 0.59008E-02 ppm1 8.823 ppm2 0.798 CV 1
ASSI { 49}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 32 and name HN ))
2.500 0.800 0.800 peak 49 weight 0.10000E+01 volume 0.36973E-02 ppm1 8.823 ppm2 9.282 CV 1
ASSI { 847}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 33 and name HA ))
4.000 2.000 2.000 peak 847 weight 0.10000E+01 volume 0.14884E-02 ppm1 8.823 ppm2 5.251 CV 1
ASSI { 870}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HA ))
2.000 0.500 0.500 peak 870 weight 0.10000E+01 volume 0.14345E-01 ppm1 8.823 ppm2 5.134 CV 1
ASSI { 1494}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HB2 ))
3.900 1.900 1.900 peak 1494 weight 0.10000E+01 volume 0.25121E-02 ppm1 8.828 ppm2 2.767 CV 1
ASSI { 1513}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HB1 ))
3.800 1.800 1.800 peak 1513 weight 0.10000E+01 volume 0.12229E-02 ppm1 8.823 ppm2 2.579 CV 1
ASSI { 1207}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HA1 ))
2.700 0.900 0.900 peak 1207 weight 0.10000E+01 volume 0.33686E-02 ppm1 8.823 ppm2 4.477 CV 1
OR { 1207}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HA2 ))
ASSI { 2054}
(( segid " " and resid 56 and name HN ))
( segid " " and resid 78 and name HG2%)
3.900 1.900 1.900 peak 2054 weight 0.10000E+01 volume 0.11801E-02 ppm1 8.828 ppm2 0.446 CV 1
ASSI { 1206}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HA2 ))
2.500 0.800 0.800 peak 1206 weight 0.10000E+01 volume 0.51209E-02 ppm1 8.319 ppm2 4.477 CV 1
OR { 1206}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HA1 ))
ASSI { 979}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HA ))
2.700 0.900 0.900 peak 979 weight 0.10000E+01 volume 0.25601E-02 ppm1 8.329 ppm2 4.782 CV 1
ASSI { 1953}
(( segid " " and resid 57 and name HN ))
( segid " " and resid 57 and name HG2%)
4.400 2.400 1.600 peak 1953 weight 0.10000E+01 volume 0.53424E-03 ppm1 8.319 ppm2 0.774 CV 1
ASSI { 1902}
(( segid " " and resid 57 and name HN ))
( segid " " and resid 57 and name HG1%)
2.900 1.100 1.100 peak 1902 weight 0.10000E+01 volume 0.33435E-02 ppm1 8.319 ppm2 0.915 CV 1
ASSI { 1978}
(( segid " " and resid 57 and name HN ))
( segid " " and resid 58 and name HD1%)
4.300 2.300 1.700 peak 1978 weight 0.10000E+01 volume 0.11946E-02 ppm1 8.319 ppm2 0.681 CV 1
ASSI { 2056}
(( segid " " and resid 57 and name HN ))
( segid " " and resid 78 and name HG2%)
3.100 1.200 1.200 peak 2056 weight 0.10000E+01 volume 0.22155E-02 ppm1 8.329 ppm2 0.446 CV 1
ASSI { 1588}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 79 and name HB2 ))
3.300 1.300 1.300 peak 1588 weight 0.10000E+01 volume 0.11704E-02 ppm1 8.329 ppm2 2.017 CV 1
OR { 1588}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 79 and name HB1 ))
ASSI { 24}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 79 and name HN ))
2.700 0.900 0.900 peak 24 weight 0.10000E+01 volume 0.25760E-02 ppm1 8.324 ppm2 9.517 CV 1
ASSI { 333}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 80 and name HA ))
3.600 1.600 1.600 peak 333 weight 0.10000E+01 volume 0.13592E-02 ppm1 8.329 ppm2 4.923 CV 1
ASSI { 544}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 30 and name HN ))
3.500 1.500 1.500 peak 544 weight 0.10000E+01 volume 0.10374E-02 ppm1 9.190 ppm2 7.946 CV 1
ASSI { 335}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 31 and name HA ))
2.900 1.100 1.100 peak 335 weight 0.10000E+01 volume 0.17197E-02 ppm1 9.185 ppm2 4.876 CV 1
ASSI { 972}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HA ))
1.900 0.500 0.500 peak 972 weight 0.10000E+01 volume 0.15048E-01 ppm1 9.190 ppm2 4.806 CV 1
ASSI { 1899}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 57 and name HG1%)
3.900 1.900 1.900 peak 1899 weight 0.10000E+01 volume 0.17365E-02 ppm1 9.190 ppm2 0.915 CV 1
ASSI { 1318}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HA ))
2.700 0.900 0.900 peak 1318 weight 0.10000E+01 volume 0.23732E-02 ppm1 9.185 ppm2 4.079 CV 1
ASSI { 1537}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HB ))
2.200 0.600 0.600 peak 1537 weight 0.10000E+01 volume 0.82180E-02 ppm1 9.190 ppm2 2.415 CV 1
ASSI { 1971}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 58 and name HD1%)
3.100 1.200 1.200 peak 1971 weight 0.10000E+01 volume 0.58159E-02 ppm1 9.190 ppm2 0.704 CV 1
ASSI { 1803}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HG11))
2.400 0.700 0.700 peak 1803 weight 0.10000E+01 volume 0.34062E-02 ppm1 9.190 ppm2 1.243 CV 1
OR { 1803}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HG12))
ASSI { 2009}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 58 and name HG2%)
3.700 1.700 1.700 peak 2009 weight 0.10000E+01 volume 0.23102E-02 ppm1 9.190 ppm2 0.587 CV 1
ASSI { 1313}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HA ))
1.900 0.500 0.500 peak 1313 weight 0.10000E+01 volume 0.13595E-01 ppm1 8.882 ppm2 4.079 CV 1
ASSI { 1174}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HA ))
2.800 1.000 1.000 peak 1174 weight 0.10000E+01 volume 0.25788E-02 ppm1 8.882 ppm2 4.571 CV 1
ASSI { 1625}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HB2 ))
3.000 1.100 1.100 peak 1625 weight 0.10000E+01 volume 0.17387E-02 ppm1 8.887 ppm2 1.876 CV 1
ASSI { 1747}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HB1 ))
2.500 0.800 0.800 peak 1747 weight 0.10000E+01 volume 0.34131E-02 ppm1 8.882 ppm2 1.431 CV 1
ASSI { 1720}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HD2 ))
3.800 1.900 1.900 peak 1720 weight 0.10000E+01 volume 0.24323E-02 ppm1 8.882 ppm2 1.548 CV 1
OR { 1720}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HD1 ))
ASSI { 741}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 60 and name HN ))
2.200 0.600 0.600 peak 741 weight 0.10000E+01 volume 0.85939E-02 ppm1 8.882 ppm2 7.102 CV 1
ASSI { 1851}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 76 and name HG1%)
5.000 3.100 1.000 peak 1851 weight 0.10000E+01 volume 0.37376E-03 ppm1 8.887 ppm2 1.056 CV 1
ASSI { 1781}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 76 and name HG2%)
4.000 2.000 2.000 peak 1781 weight 0.10000E+01 volume 0.56420E-03 ppm1 8.887 ppm2 1.290 CV 1
ASSI { 1566}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 77 and name HB1 ))
4.400 2.500 1.600 peak 1566 weight 0.10000E+01 volume 0.46790E-03 ppm1 8.882 ppm2 2.251 CV 1
ASSI { 1533}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 77 and name HB2 ))
3.300 1.400 1.400 peak 1533 weight 0.10000E+01 volume 0.10795E-02 ppm1 8.882 ppm2 2.438 CV 1
ASSI { 353}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 77 and name HN ))
3.500 1.500 1.500 peak 353 weight 0.10000E+01 volume 0.10041E-02 ppm1 8.887 ppm2 8.392 CV 1
ASSI { 968}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 78 and name HA ))
3.000 1.100 1.100 peak 968 weight 0.10000E+01 volume 0.34777E-02 ppm1 8.882 ppm2 4.806 CV 1
ASSI { 2032}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 78 and name HD1%)
3.600 1.700 1.700 peak 2032 weight 0.10000E+01 volume 0.29365E-02 ppm1 8.887 ppm2 0.563 CV 1
ASSI { 1981}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 78 and name HG11))
3.500 1.500 1.500 peak 1981 weight 0.10000E+01 volume 0.15247E-02 ppm1 8.882 ppm2 0.681 CV 1
OR { 1981}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 78 and name HG12))
ASSI { 2052}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 78 and name HG2%)
4.600 2.700 1.400 peak 2052 weight 0.10000E+01 volume 0.87026E-03 ppm1 8.877 ppm2 0.446 CV 1
ASSI { 1315}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 58 and name HA ))
4.000 2.000 2.000 peak 1315 weight 0.10000E+01 volume 0.15222E-02 ppm1 7.112 ppm2 4.079 CV 1
ASSI { 2021}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 58 and name HG2%)
2.700 0.900 0.900 peak 2021 weight 0.10000E+01 volume 0.38299E-02 ppm1 7.107 ppm2 0.563 CV 1
ASSI { 1173}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HA ))
3.400 1.400 1.400 peak 1173 weight 0.10000E+01 volume 0.12396E-02 ppm1 7.112 ppm2 4.571 CV 1
ASSI { 1621}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HB2 ))
3.000 1.100 1.100 peak 1621 weight 0.10000E+01 volume 0.11791E-02 ppm1 7.112 ppm2 1.876 CV 1
ASSI { 1742}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HB1 ))
3.700 1.700 1.700 peak 1742 weight 0.10000E+01 volume 0.19702E-02 ppm1 7.112 ppm2 1.431 CV 1
ASSI { 1255}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HA ))
2.500 0.800 0.800 peak 1255 weight 0.10000E+01 volume 0.33146E-02 ppm1 7.112 ppm2 4.313 CV 1
ASSI { 1676}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HB2 ))
3.300 1.300 1.300 peak 1676 weight 0.10000E+01 volume 0.14911E-02 ppm1 7.112 ppm2 1.712 CV 1
ASSI { 1792}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HB1 ))
3.500 1.500 1.500 peak 1792 weight 0.10000E+01 volume 0.21008E-02 ppm1 7.112 ppm2 1.267 CV 1
ASSI { 1563}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 77 and name HB1 ))
4.400 2.400 1.600 peak 1563 weight 0.10000E+01 volume 0.12387E-02 ppm1 7.107 ppm2 2.274 CV 1
ASSI { 1531}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 77 and name HB2 ))
3.000 1.100 1.100 peak 1531 weight 0.10000E+01 volume 0.29852E-02 ppm1 7.112 ppm2 2.462 CV 1
ASSI { 1256}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HA ))
1.800 0.400 0.400 peak 1256 weight 0.10000E+01 volume 0.19216E-01 ppm1 8.808 ppm2 4.313 CV 1
ASSI { 1665}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HB2 ))
4.300 2.300 1.700 peak 1665 weight 0.10000E+01 volume 0.11598E-02 ppm1 8.808 ppm2 1.735 CV 1
ASSI { 1898}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HG2 ))
3.400 1.500 1.500 peak 1898 weight 0.10000E+01 volume 0.22343E-02 ppm1 8.808 ppm2 0.915 CV 1
OR { 1898}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HG1 ))
ASSI { 1193}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HA ))
2.900 1.000 1.000 peak 1193 weight 0.10000E+01 volume 0.16723E-02 ppm1 8.813 ppm2 4.524 CV 1
ASSI { 1933}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HB1 ))
3.400 1.500 1.500 peak 1933 weight 0.10000E+01 volume 0.21219E-02 ppm1 8.808 ppm2 0.798 CV 1
ASSI { 1780}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HB2 ))
2.300 0.700 0.700 peak 1780 weight 0.10000E+01 volume 0.55938E-02 ppm1 8.808 ppm2 1.290 CV 1
ASSI { 2105}
(( segid " " and resid 61 and name HN ))
( segid " " and resid 61 and name HD1%)
3.600 1.600 1.600 peak 2105 weight 0.10000E+01 volume 0.11016E-02 ppm1 8.808 ppm2 0.024 CV 1
ASSI { 1993}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HG ))
2.700 0.900 0.900 peak 1993 weight 0.10000E+01 volume 0.22074E-02 ppm1 8.808 ppm2 0.657 CV 1
ASSI { 1190}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HA ))
2.200 0.600 0.600 peak 1190 weight 0.10000E+01 volume 0.88034E-02 ppm1 8.055 ppm2 4.524 CV 1
ASSI { 1936}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HB1 ))
3.600 1.600 1.600 peak 1936 weight 0.10000E+01 volume 0.12641E-02 ppm1 8.055 ppm2 0.798 CV 1
ASSI { 1791}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HB2 ))
3.800 1.800 1.800 peak 1791 weight 0.10000E+01 volume 0.15822E-02 ppm1 8.055 ppm2 1.267 CV 1
ASSI { 1349}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HA ))
3.000 1.100 1.100 peak 1349 weight 0.10000E+01 volume 0.23463E-02 ppm1 8.055 ppm2 3.821 CV 1
ASSI { 1544}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HB1 ))
3.400 1.400 1.400 peak 1544 weight 0.10000E+01 volume 0.20564E-02 ppm1 8.055 ppm2 2.392 CV 1
ASSI { 1508}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HB2 ))
2.400 0.700 0.700 peak 1508 weight 0.10000E+01 volume 0.49606E-02 ppm1 8.055 ppm2 2.649 CV 1
ASSI { 825}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 76 and name HA ))
3.500 1.500 1.500 peak 825 weight 0.10000E+01 volume 0.15605E-02 ppm1 8.055 ppm2 5.602 CV 1
ASSI { 1941}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 61 and name HB1 ))
3.100 1.200 1.200 peak 1941 weight 0.10000E+01 volume 0.17565E-02 ppm1 7.028 ppm2 0.798 CV 1
ASSI { 530}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HN ))
3.000 1.100 1.100 peak 530 weight 0.10000E+01 volume 0.20167E-02 ppm1 7.028 ppm2 8.040 CV 1
ASSI { 876}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HA ))
3.000 1.200 1.200 peak 876 weight 0.10000E+01 volume 0.17689E-02 ppm1 7.038 ppm2 5.110 CV 1
ASSI { 1509}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HB2 ))
2.900 1.000 1.000 peak 1509 weight 0.10000E+01 volume 0.23030E-02 ppm1 7.028 ppm2 2.649 CV 1
ASSI { 874}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HA ))
2.300 0.600 0.600 peak 874 weight 0.10000E+01 volume 0.72583E-02 ppm1 9.654 ppm2 5.134 CV 1
ASSI { 1382}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HB1 ))
3.300 1.300 1.300 peak 1382 weight 0.10000E+01 volume 0.15594E-02 ppm1 9.649 ppm2 3.657 CV 1
ASSI { 1490}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HB2 ))
2.600 0.900 0.900 peak 1490 weight 0.10000E+01 volume 0.27799E-02 ppm1 9.654 ppm2 2.790 CV 1
ASSI { 873}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HA ))
2.300 0.700 0.700 peak 873 weight 0.10000E+01 volume 0.10294E-01 ppm1 8.388 ppm2 5.134 CV 1
ASSI { 1466}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HB1 ))
2.200 0.600 0.600 peak 1466 weight 0.10000E+01 volume 0.58550E-02 ppm1 8.388 ppm2 2.931 CV 1
ASSI { 1489}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HB2 ))
2.900 1.000 1.000 peak 1489 weight 0.10000E+01 volume 0.21970E-02 ppm1 8.383 ppm2 2.790 CV 1
ASSI { 1356}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HA ))
2.600 0.900 0.900 peak 1356 weight 0.10000E+01 volume 0.32040E-02 ppm1 8.383 ppm2 3.751 CV 1
ASSI { 1743}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HB2 ))
3.200 1.300 1.300 peak 1743 weight 0.10000E+01 volume 0.29286E-02 ppm1 8.383 ppm2 1.431 CV 1
ASSI { 1680}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HB1 ))
2.200 0.600 0.600 peak 1680 weight 0.10000E+01 volume 0.82453E-02 ppm1 8.383 ppm2 1.688 CV 1
ASSI { 1868}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 65 and name HD1%)
3.200 1.300 1.300 peak 1868 weight 0.10000E+01 volume 0.11655E-02 ppm1 8.388 ppm2 0.985 CV 1
ASSI { 1919}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 65 and name HD2%)
4.000 2.000 2.000 peak 1919 weight 0.10000E+01 volume 0.21876E-02 ppm1 8.383 ppm2 0.845 CV 1
ASSI { 1640}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HG ))
2.200 0.600 0.600 peak 1640 weight 0.10000E+01 volume 0.67195E-02 ppm1 8.383 ppm2 1.829 CV 1
ASSI { 1751}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HB2 ))
3.600 1.700 1.700 peak 1751 weight 0.10000E+01 volume 0.13856E-02 ppm1 9.028 ppm2 1.407 CV 1
ASSI { 1303}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 66 and name HA ))
2.300 0.700 0.700 peak 1303 weight 0.10000E+01 volume 0.11032E-01 ppm1 9.033 ppm2 4.126 CV 1
ASSI { 633}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 67 and name HN ))
2.800 0.900 0.900 peak 633 weight 0.10000E+01 volume 0.24562E-02 ppm1 9.033 ppm2 7.618 CV 1
ASSI { 1363}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 20 and name HB ))
4.100 2.100 1.900 peak 1363 weight 0.10000E+01 volume 0.12436E-02 ppm1 7.640 ppm2 3.727 CV 1
ASSI { 1311}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HA ))
3.300 1.400 1.400 peak 1311 weight 0.10000E+01 volume 0.18441E-02 ppm1 7.645 ppm2 4.102 CV 1
ASSI { 997}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HA ))
2.800 1.000 1.000 peak 997 weight 0.10000E+01 volume 0.28957E-02 ppm1 7.645 ppm2 4.688 CV 1
ASSI { 1482}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HB1 ))
3.600 1.600 1.600 peak 1482 weight 0.10000E+01 volume 0.24399E-02 ppm1 7.640 ppm2 2.837 CV 1
ASSI { 1432}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HB2 ))
2.300 0.700 0.700 peak 1432 weight 0.10000E+01 volume 0.49434E-02 ppm1 7.645 ppm2 3.165 CV 1
ASSI { 991}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HA ))
2.100 0.500 0.500 peak 991 weight 0.10000E+01 volume 0.17928E-01 ppm1 7.874 ppm2 4.712 CV 1
ASSI { 1479}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HB1 ))
2.400 0.700 0.700 peak 1479 weight 0.10000E+01 volume 0.60675E-02 ppm1 7.874 ppm2 2.837 CV 1
ASSI { 1434}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HB2 ))
3.800 1.800 1.800 peak 1434 weight 0.10000E+01 volume 0.19314E-02 ppm1 7.874 ppm2 3.142 CV 1
ASSI { 1261}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HA ))
2.700 0.900 0.900 peak 1261 weight 0.10000E+01 volume 0.31797E-02 ppm1 7.879 ppm2 4.290 CV 1
ASSI { 1717}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HB ))
2.300 0.600 0.600 peak 1717 weight 0.10000E+01 volume 0.10314E-01 ppm1 7.874 ppm2 1.571 CV 1
ASSI { 1979}
(( segid " " and resid 68 and name HN ))
( segid " " and resid 68 and name HD1%)
3.700 1.700 1.700 peak 1979 weight 0.10000E+01 volume 0.15341E-02 ppm1 7.874 ppm2 0.681 CV 1
ASSI { 1741}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HG12))
2.600 0.900 0.900 peak 1741 weight 0.10000E+01 volume 0.46828E-02 ppm1 7.874 ppm2 1.454 CV 1
OR { 1741}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HG11))
ASSI { 2069}
(( segid " " and resid 68 and name HN ))
( segid " " and resid 68 and name HG2%)
3.900 1.900 1.900 peak 2069 weight 0.10000E+01 volume 0.17819E-02 ppm1 7.879 ppm2 0.329 CV 1
ASSI { 955}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 20 and name HA ))
3.200 1.300 1.300 peak 955 weight 0.10000E+01 volume 0.24073E-02 ppm1 8.662 ppm2 4.829 CV 1
ASSI { 1262}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HA ))
1.900 0.500 0.500 peak 1262 weight 0.10000E+01 volume 0.21645E-01 ppm1 8.652 ppm2 4.290 CV 1
ASSI { 1715}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HB ))
4.100 2.100 1.900 peak 1715 weight 0.10000E+01 volume 0.81765E-03 ppm1 8.652 ppm2 1.571 CV 1
ASSI { 1988}
(( segid " " and resid 69 and name HN ))
( segid " " and resid 68 and name HD1%)
3.000 1.100 1.100 peak 1988 weight 0.10000E+01 volume 0.10080E-02 ppm1 8.652 ppm2 0.681 CV 1
ASSI { 1324}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HA ))
2.900 1.100 1.100 peak 1324 weight 0.10000E+01 volume 0.23762E-02 ppm1 8.657 ppm2 4.032 CV 1
ASSI { 1325}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HA ))
2.600 0.800 0.800 peak 1325 weight 0.10000E+01 volume 0.39174E-02 ppm1 6.476 ppm2 4.032 CV 1
ASSI { 1535}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HB1 ))
2.800 1.000 1.000 peak 1535 weight 0.10000E+01 volume 0.21034E-02 ppm1 6.476 ppm2 2.438 CV 1
ASSI { 917}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HA ))
2.300 0.600 0.600 peak 917 weight 0.10000E+01 volume 0.94404E-02 ppm1 8.354 ppm2 4.946 CV 1
ASSI { 1439}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HB2 ))
3.500 1.600 1.600 peak 1439 weight 0.10000E+01 volume 0.11760E-02 ppm1 8.354 ppm2 3.118 CV 1
ASSI { 1421}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HA ))
3.000 1.100 1.100 peak 1421 weight 0.10000E+01 volume 0.19489E-02 ppm1 8.349 ppm2 3.376 CV 1
ASSI { 1617}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HB ))
2.500 0.800 0.800 peak 1617 weight 0.10000E+01 volume 0.60845E-02 ppm1 8.349 ppm2 1.923 CV 1
ASSI { 1931}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 71 and name HG1%)
2.900 1.000 1.000 peak 1931 weight 0.10000E+01 volume 0.44108E-02 ppm1 8.349 ppm2 0.821 CV 1
ASSI { 1418}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HA ))
2.300 0.700 0.700 peak 1418 weight 0.10000E+01 volume 0.65972E-02 ppm1 9.239 ppm2 3.376 CV 1
ASSI { 1874}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 71 and name HG2%)
3.300 1.300 1.300 peak 1874 weight 0.10000E+01 volume 0.21745E-02 ppm1 9.239 ppm2 0.938 CV 1
ASSI { 1239}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HA2 ))
3.000 1.100 1.100 peak 1239 weight 0.10000E+01 volume 0.20908E-02 ppm1 9.243 ppm2 4.384 CV 1
OR { 1239}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HA1 ))
ASSI { 1762}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 8 and name HG1 ))
3.100 1.200 1.200 peak 1762 weight 0.10000E+01 volume 0.19394E-02 ppm1 7.508 ppm2 1.360 CV 1
OR { 1762}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 8 and name HG2 ))
ASSI { 1419}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 71 and name HA ))
3.500 1.600 1.600 peak 1419 weight 0.10000E+01 volume 0.17654E-02 ppm1 7.508 ppm2 3.376 CV 1
ASSI { 1240}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HA2 ))
3.400 1.400 1.400 peak 1240 weight 0.10000E+01 volume 0.17133E-02 ppm1 7.513 ppm2 4.384 CV 1
OR { 1240}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HA1 ))
ASSI { 71}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HN ))
2.700 0.900 0.900 peak 71 weight 0.10000E+01 volume 0.40937E-02 ppm1 7.513 ppm2 9.235 CV 1
ASSI { 936}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HA ))
2.700 0.900 0.900 peak 936 weight 0.10000E+01 volume 0.32201E-02 ppm1 7.508 ppm2 4.876 CV 1
ASSI { 1595}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HB2 ))
2.600 0.900 0.900 peak 1595 weight 0.10000E+01 volume 0.55084E-02 ppm1 7.517 ppm2 1.993 CV 1
OR { 1595}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HB1 ))
ASSI { 1288}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 8 and name HA ))
2.600 0.900 0.900 peak 1288 weight 0.10000E+01 volume 0.29234E-02 ppm1 9.180 ppm2 4.196 CV 1
ASSI { 1369}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HA ))
2.000 0.500 0.500 peak 1369 weight 0.10000E+01 volume 0.10380E-01 ppm1 9.185 ppm2 3.727 CV 1
ASSI { 935}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HA ))
3.100 1.200 1.200 peak 935 weight 0.10000E+01 volume 0.16820E-02 ppm1 9.180 ppm2 4.876 CV 1
ASSI { 1608}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HB1 ))
2.800 1.000 1.000 peak 1608 weight 0.10000E+01 volume 0.27223E-02 ppm1 9.180 ppm2 1.946 CV 1
OR { 1608}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HB2 ))
ASSI { 639}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 76 and name HN ))
2.100 0.600 0.600 peak 639 weight 0.10000E+01 volume 0.82195E-02 ppm1 9.180 ppm2 7.595 CV 1
ASSI { 1395}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 7 and name HB1 ))
3.400 1.400 1.400 peak 1395 weight 0.10000E+01 volume 0.18283E-02 ppm1 7.605 ppm2 3.493 CV 1
OR { 1395}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 7 and name HB2 ))
ASSI { 1292}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 8 and name HA ))
4.800 2.800 1.200 peak 1292 weight 0.10000E+01 volume 0.64236E-03 ppm1 7.605 ppm2 4.173 CV 1
ASSI { 1362}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 74 and name HA ))
4.000 2.000 2.000 peak 1362 weight 0.10000E+01 volume 0.17752E-02 ppm1 7.601 ppm2 3.727 CV 1
ASSI { 930}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HA ))
3.500 1.500 1.500 peak 930 weight 0.10000E+01 volume 0.13223E-02 ppm1 7.605 ppm2 4.899 CV 1
ASSI { 1607}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HB1 ))
3.000 1.200 1.200 peak 1607 weight 0.10000E+01 volume 0.36539E-02 ppm1 7.605 ppm2 1.946 CV 1
OR { 1607}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HB2 ))
ASSI { 1888}
(( segid " " and resid 76 and name HN ))
( segid " " and resid 75 and name HD2%)
3.800 1.800 1.800 peak 1888 weight 0.10000E+01 volume 0.11683E-02 ppm1 7.601 ppm2 0.938 CV 1
ASSI { 827}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HA ))
2.800 1.000 1.000 peak 827 weight 0.10000E+01 volume 0.24697E-02 ppm1 7.601 ppm2 5.602 CV 1
ASSI { 1850}
(( segid " " and resid 76 and name HN ))
( segid " " and resid 76 and name HG1%)
2.600 0.800 0.800 peak 1850 weight 0.10000E+01 volume 0.34427E-02 ppm1 7.605 ppm2 1.056 CV 1
ASSI { 1795}
(( segid " " and resid 76 and name HN ))
( segid " " and resid 76 and name HG2%)
3.800 1.800 1.800 peak 1795 weight 0.10000E+01 volume 0.15548E-02 ppm1 7.605 ppm2 1.267 CV 1
ASSI { 1317}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 58 and name HA ))
4.400 2.400 1.600 peak 1317 weight 0.10000E+01 volume 0.47369E-03 ppm1 8.412 ppm2 4.079 CV 1
ASSI { 463}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 60 and name HN ))
2.700 0.900 0.900 peak 463 weight 0.10000E+01 volume 0.39801E-02 ppm1 8.407 ppm2 7.102 CV 1
ASSI { 828}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HA ))
2.200 0.600 0.600 peak 828 weight 0.10000E+01 volume 0.70241E-02 ppm1 8.398 ppm2 5.602 CV 1
ASSI { 1800}
(( segid " " and resid 77 and name HN ))
( segid " " and resid 76 and name HG2%)
2.600 0.800 0.800 peak 1800 weight 0.10000E+01 volume 0.20405E-02 ppm1 8.407 ppm2 1.267 CV 1
ASSI { 818}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 77 and name HA ))
3.000 1.100 1.100 peak 818 weight 0.10000E+01 volume 0.12314E-02 ppm1 8.398 ppm2 5.884 CV 1
ASSI { 467}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 77 and name HB1 ))
3.400 1.500 1.500 peak 467 weight 0.10000E+01 volume 0.23882E-02 ppm1 8.393 ppm2 2.274 CV 1
ASSI { 1529}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 77 and name HB2 ))
2.200 0.600 0.600 peak 1529 weight 0.10000E+01 volume 0.62448E-02 ppm1 8.398 ppm2 2.462 CV 1
ASSI { 2040}
(( segid " " and resid 78 and name HN ))
( segid " " and resid 5 and name HG1%)
4.200 2.200 1.800 peak 2040 weight 0.10000E+01 volume 0.64912E-03 ppm1 9.278 ppm2 0.517 CV 1
ASSI { 2063}
(( segid " " and resid 78 and name HN ))
( segid " " and resid 5 and name HG2%)
3.500 1.500 1.500 peak 2063 weight 0.10000E+01 volume 0.12930E-02 ppm1 9.278 ppm2 0.423 CV 1
ASSI { 472}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 6 and name HA ))
3.100 1.200 1.200 peak 472 weight 0.10000E+01 volume 0.15679E-02 ppm1 9.292 ppm2 4.946 CV 1
ASSI { 822}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HA ))
2.100 0.600 0.600 peak 822 weight 0.10000E+01 volume 0.89214E-02 ppm1 9.278 ppm2 5.884 CV 1
ASSI { 1564}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HB1 ))
3.700 1.700 1.700 peak 1564 weight 0.10000E+01 volume 0.10351E-02 ppm1 9.278 ppm2 2.274 CV 1
ASSI { 475}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HB2 ))
4.300 2.300 1.700 peak 475 weight 0.10000E+01 volume 0.92028E-03 ppm1 9.292 ppm2 2.462 CV 1
ASSI { 476}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HA ))
2.700 0.900 0.900 peak 476 weight 0.10000E+01 volume 0.27877E-02 ppm1 9.287 ppm2 4.806 CV 1
ASSI { 1770}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HB ))
2.900 1.100 1.100 peak 1770 weight 0.10000E+01 volume 0.20553E-02 ppm1 9.283 ppm2 1.337 CV 1
ASSI { 1992}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HG11))
3.200 1.200 1.200 peak 1992 weight 0.10000E+01 volume 0.14569E-02 ppm1 9.283 ppm2 0.657 CV 1
OR { 1992}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HG12))
ASSI { 233}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 56 and name HN ))
4.200 2.200 1.800 peak 233 weight 0.10000E+01 volume 0.11520E-02 ppm1 9.542 ppm2 8.860 CV 1
ASSI { 1647}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 57 and name HB ))
3.200 1.300 1.300 peak 1647 weight 0.10000E+01 volume 0.19278E-02 ppm1 9.537 ppm2 1.806 CV 1
ASSI { 1316}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 58 and name HA ))
4.000 2.000 2.000 peak 1316 weight 0.10000E+01 volume 0.91489E-03 ppm1 9.537 ppm2 4.079 CV 1
ASSI { 970}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HA ))
2.000 0.500 0.500 peak 970 weight 0.10000E+01 volume 0.15304E-01 ppm1 9.537 ppm2 4.806 CV 1
ASSI { 1768}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HB ))
3.700 1.700 1.700 peak 1768 weight 0.10000E+01 volume 0.78373E-03 ppm1 9.537 ppm2 1.337 CV 1
ASSI { 1986}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HG11))
3.800 1.800 1.800 peak 1986 weight 0.10000E+01 volume 0.11949E-02 ppm1 9.542 ppm2 0.681 CV 1
ASSI { 2050}
(( segid " " and resid 79 and name HN ))
( segid " " and resid 78 and name HG2%)
2.700 0.900 0.900 peak 2050 weight 0.10000E+01 volume 0.31166E-02 ppm1 9.537 ppm2 0.446 CV 1
ASSI { 940}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HA ))
3.100 1.200 1.200 peak 940 weight 0.10000E+01 volume 0.12224E-02 ppm1 9.532 ppm2 4.876 CV 1
ASSI { 1586}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HB2 ))
2.700 0.900 0.900 peak 1586 weight 0.10000E+01 volume 0.40082E-02 ppm1 9.542 ppm2 2.017 CV 1
OR { 1586}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HB1 ))
ASSI { 1222}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 4 and name HA ))
3.900 1.900 1.900 peak 1222 weight 0.10000E+01 volume 0.13839E-02 ppm1 8.887 ppm2 4.407 CV 1
ASSI { 948}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HA ))
2.200 0.600 0.600 peak 948 weight 0.10000E+01 volume 0.83102E-02 ppm1 8.877 ppm2 4.852 CV 1
ASSI { 1645}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HG2 ))
4.100 2.100 1.900 peak 1645 weight 0.10000E+01 volume 0.11330E-02 ppm1 8.891 ppm2 1.806 CV 1
ASSI { 2122}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HN ))
4.100 2.100 1.900 peak 2122 weight 0.10000E+01 volume 0.82313E-03 ppm1 8.887 ppm2 9.517 CV 1
ASSI { 495}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 80 and name HA ))
3.000 1.100 1.100 peak 495 weight 0.10000E+01 volume 0.20165E-02 ppm1 8.891 ppm2 4.946 CV 1
ASSI { 1299}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 80 and name HB ))
3.700 1.700 1.700 peak 1299 weight 0.10000E+01 volume 0.82586E-03 ppm1 8.887 ppm2 4.149 CV 1
ASSI { 1867}
(( segid " " and resid 80 and name HN ))
( segid " " and resid 80 and name HG2%)
2.900 1.000 1.000 peak 1867 weight 0.10000E+01 volume 0.37992E-02 ppm1 8.882 ppm2 0.985 CV 1
ASSI { 926}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HA ))
3.900 1.900 1.900 peak 926 weight 0.10000E+01 volume 0.41520E-03 ppm1 8.613 ppm2 4.923 CV 1
ASSI { 2}
( segid " " and resid 5 and name HG2%)
( segid " " and resid 4 and name HG1%)
3.400 1.400 1.400 peak 2 weight 0.10000E+01 volume 0.40205E-02 ppm1 0.435 ppm2 0.858 CV 1
ASSI { 3}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 4 and name HB ))
3.800 1.800 1.800 peak 3 weight 0.10000E+01 volume 0.15733E-02 ppm1 0.435 ppm2 1.889 CV 1
ASSI { 4}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 5 and name HB ))
2.400 0.700 0.700 peak 4 weight 0.10000E+01 volume 0.81672E-02 ppm1 0.423 ppm2 1.725 CV 1
ASSI { 5}
( segid " " and resid 5 and name HG1%)
(( segid " " and resid 5 and name HB ))
2.400 0.700 0.700 peak 5 weight 0.10000E+01 volume 0.73334E-02 ppm1 0.529 ppm2 1.725 CV 1
ASSI { 6}
( segid " " and resid 5 and name HG1%)
(( segid " " and resid 5 and name HA ))
2.600 0.900 0.900 peak 6 weight 0.10000E+01 volume 0.60185E-02 ppm1 0.529 ppm2 4.256 CV 1
ASSI { 7}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 5 and name HA ))
2.800 1.000 1.000 peak 7 weight 0.10000E+01 volume 0.57538E-02 ppm1 0.423 ppm2 4.256 CV 1
ASSI { 10}
(( segid " " and resid 9 and name HB2 ))
( segid " " and resid 9 and name HD2%)
2.900 1.100 1.100 peak 10 weight 0.10000E+01 volume 0.34411E-02 ppm1 1.976 ppm2 0.460 CV 1
OR { 10}
(( segid " " and resid 9 and name HB1 ))
( segid " " and resid 9 and name HD2%)
ASSI { 14}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 9 and name HB1 ))
2.400 0.700 0.700 peak 14 weight 0.10000E+01 volume 0.95100E-02 ppm1 0.811 ppm2 1.233 CV 1
OR { 14}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 9 and name HB2 ))
ASSI { 15}
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 9 and name HG ))
2.900 1.000 1.000 peak 15 weight 0.10000E+01 volume 0.20286E-02 ppm1 1.964 ppm2 1.585 CV 1
OR { 15}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HG ))
ASSI { 18}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HA ))
2.900 1.000 1.000 peak 18 weight 0.10000E+01 volume 0.21942E-02 ppm1 1.247 ppm2 4.116 CV 1
OR { 18}
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 9 and name HA ))
ASSI { 20}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 9 and name HA ))
2.300 0.600 0.600 peak 20 weight 0.10000E+01 volume 0.15801E-01 ppm1 0.811 ppm2 4.116 CV 1
ASSI { 23}
(( segid " " and resid 10 and name HB1 ))
(( segid " " and resid 10 and name HA ))
2.500 0.800 0.800 peak 23 weight 0.10000E+01 volume 0.72785E-02 ppm1 3.776 ppm2 4.397 CV 1
OR { 23}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HA ))
ASSI { 25}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 12 and name HG12))
2.600 0.800 0.800 peak 25 weight 0.10000E+01 volume 0.37833E-02 ppm1 0.588 ppm2 1.022 CV 1
OR { 25}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 12 and name HG11))
ASSI { 27}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 12 and name HG12))
2.800 1.000 1.000 peak 27 weight 0.10000E+01 volume 0.34944E-02 ppm1 0.753 ppm2 1.210 CV 1
OR { 27}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 12 and name HG11))
ASSI { 28}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 12 and name HB ))
2.300 0.600 0.600 peak 28 weight 0.10000E+01 volume 0.93380E-02 ppm1 0.753 ppm2 1.866 CV 1
ASSI { 29}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 12 and name HB ))
2.900 1.100 1.100 peak 29 weight 0.10000E+01 volume 0.22879E-02 ppm1 0.588 ppm2 1.866 CV 1
ASSI { 30}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 12 and name HA ))
2.400 0.700 0.700 peak 30 weight 0.10000E+01 volume 0.81945E-02 ppm1 0.753 ppm2 4.256 CV 1
ASSI { 31}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 12 and name HA ))
3.500 1.500 1.500 peak 31 weight 0.10000E+01 volume 0.23100E-02 ppm1 0.588 ppm2 4.256 CV 1
ASSI { 32}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 16 and name HD1%)
3.600 1.600 1.600 peak 32 weight 0.10000E+01 volume 0.25650E-02 ppm1 4.034 ppm2 0.717 CV 1
ASSI { 33}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 17 and name HG2 ))
2.500 0.800 0.800 peak 33 weight 0.10000E+01 volume 0.52447E-02 ppm1 3.199 ppm2 1.608 CV 1
OR { 33}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HG1 ))
OR { 33}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HG2 ))
OR { 33}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 34}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HB1 ))
2.800 1.000 1.000 peak 34 weight 0.10000E+01 volume 0.37610E-02 ppm1 3.199 ppm2 1.796 CV 1
OR { 34}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HB2 ))
OR { 34}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 17 and name HB1 ))
OR { 34}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 17 and name HB2 ))
ASSI { 38}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HA ))
3.600 1.600 1.600 peak 38 weight 0.10000E+01 volume 0.25580E-02 ppm1 3.199 ppm2 4.491 CV 1
OR { 38}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 17 and name HA ))
ASSI { 39}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HA ))
3.100 1.200 1.200 peak 39 weight 0.10000E+01 volume 0.20033E-02 ppm1 1.611 ppm2 4.491 CV 1
OR { 39}
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 17 and name HA ))
ASSI { 40}
(( segid " " and resid 18 and name HG1 ))
(( segid " " and resid 18 and name HA ))
3.300 1.300 1.300 peak 40 weight 0.10000E+01 volume 0.14430E-02 ppm1 2.070 ppm2 4.983 CV 1
OR { 40}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HA ))
ASSI { 41}
(( segid " " and resid 19 and name HB ))
( segid " " and resid 19 and name HG1%)
2.500 0.800 0.800 peak 41 weight 0.10000E+01 volume 0.53249E-02 ppm1 1.823 ppm2 0.296 CV 1
ASSI { 42}
(( segid " " and resid 19 and name HB ))
( segid " " and resid 19 and name HG2%)
2.300 0.600 0.600 peak 42 weight 0.10000E+01 volume 0.92200E-02 ppm1 1.811 ppm2 0.577 CV 1
ASSI { 43}
(( segid " " and resid 19 and name HB ))
(( segid " " and resid 19 and name HA ))
2.400 0.700 0.700 peak 43 weight 0.10000E+01 volume 0.69225E-02 ppm1 1.811 ppm2 4.678 CV 1
ASSI { 44}
(( segid " " and resid 19 and name HB ))
(( segid " " and resid 43 and name HA ))
3.500 1.600 1.600 peak 44 weight 0.10000E+01 volume 0.12933E-02 ppm1 1.823 ppm2 4.983 CV 1
ASSI { 46}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 20 and name HB ))
2.100 0.500 0.500 peak 46 weight 0.10000E+01 volume 0.15713E-01 ppm1 0.929 ppm2 3.717 CV 1
ASSI { 47}
(( segid " " and resid 20 and name HB ))
(( segid " " and resid 20 and name HA ))
3.100 1.200 1.200 peak 47 weight 0.10000E+01 volume 0.19539E-02 ppm1 3.717 ppm2 4.842 CV 1
ASSI { 49}
( segid " " and resid 21 and name HG2%)
( segid " " and resid 20 and name HG2%)
3.700 1.700 1.700 peak 49 weight 0.10000E+01 volume 0.22402E-02 ppm1 -0.071 ppm2 0.952 CV 1
ASSI { 50}
( segid " " and resid 21 and name HG1%)
(( segid " " and resid 20 and name HA ))
3.700 1.700 1.700 peak 50 weight 0.10000E+01 volume 0.16263E-02 ppm1 0.294 ppm2 4.819 CV 1
ASSI { 51}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 21 and name HG2%)
2.600 0.800 0.800 peak 51 weight 0.10000E+01 volume 0.40540E-02 ppm1 3.482 ppm2 -0.079 CV 1
ASSI { 53}
(( segid " " and resid 21 and name HB ))
( segid " " and resid 21 and name HG1%)
2.400 0.700 0.700 peak 53 weight 0.10000E+01 volume 0.58104E-02 ppm1 1.964 ppm2 0.296 CV 1
ASSI { 55}
( segid " " and resid 21 and name HG2%)
(( segid " " and resid 21 and name HB ))
2.200 0.600 0.600 peak 55 weight 0.10000E+01 volume 0.12034E-01 ppm1 -0.071 ppm2 1.960 CV 1
ASSI { 56}
( segid " " and resid 21 and name HG1%)
(( segid " " and resid 21 and name HA ))
2.300 0.700 0.700 peak 56 weight 0.10000E+01 volume 0.96038E-02 ppm1 0.294 ppm2 3.483 CV 1
ASSI { 60}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 41 and name HA ))
2.400 0.700 0.700 peak 60 weight 0.10000E+01 volume 0.34305E-02 ppm1 3.470 ppm2 5.288 CV 1
ASSI { 62}
( segid " " and resid 21 and name HG2%)
( segid " " and resid 65 and name HD1%)
3.000 1.100 1.100 peak 62 weight 0.10000E+01 volume 0.52509E-02 ppm1 -0.071 ppm2 0.811 CV 1
ASSI { 64}
(( segid " " and resid 26 and name HB ))
( segid " " and resid 26 and name HG2%)
2.200 0.600 0.600 peak 64 weight 0.10000E+01 volume 0.68332E-02 ppm1 2.305 ppm2 1.163 CV 1
ASSI { 66}
(( segid " " and resid 26 and name HB ))
(( segid " " and resid 26 and name HA ))
2.300 0.700 0.700 peak 66 weight 0.10000E+01 volume 0.57277E-02 ppm1 2.305 ppm2 4.936 CV 1
ASSI { 67}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 26 and name HA ))
2.600 0.800 0.800 peak 67 weight 0.10000E+01 volume 0.40575E-02 ppm1 1.058 ppm2 4.936 CV 1
ASSI { 69}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HD2 ))
2.500 0.800 0.800 peak 69 weight 0.10000E+01 volume 0.62416E-02 ppm1 1.682 ppm2 1.186 CV 1
OR { 69}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HD1 ))
OR { 69}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 27 and name HD1 ))
OR { 69}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 27 and name HD2 ))
ASSI { 70}
(( segid " " and resid 27 and name HE2 ))
(( segid " " and resid 27 and name HG1 ))
2.800 1.000 1.000 peak 70 weight 0.10000E+01 volume 0.37262E-02 ppm1 2.952 ppm2 1.374 CV 1
OR { 70}
(( segid " " and resid 27 and name HE1 ))
(( segid " " and resid 27 and name HG1 ))
OR { 70}
(( segid " " and resid 27 and name HE2 ))
(( segid " " and resid 27 and name HG2 ))
OR { 70}
(( segid " " and resid 27 and name HE1 ))
(( segid " " and resid 27 and name HG2 ))
ASSI { 71}
(( segid " " and resid 27 and name HD1 ))
(( segid " " and resid 27 and name HG2 ))
1.800 0.400 0.400 peak 71 weight 0.10000E+01 volume 0.35597E-01 ppm1 1.635 ppm2 1.374 CV 1
OR { 71}
(( segid " " and resid 27 and name HD2 ))
(( segid " " and resid 27 and name HG1 ))
OR { 71}
(( segid " " and resid 27 and name HD2 ))
(( segid " " and resid 27 and name HG2 ))
OR { 71}
(( segid " " and resid 27 and name HD1 ))
(( segid " " and resid 27 and name HG1 ))
ASSI { 73}
(( segid " " and resid 27 and name HE1 ))
(( segid " " and resid 27 and name HD2 ))
2.200 0.600 0.600 peak 73 weight 0.10000E+01 volume 0.13978E-01 ppm1 3.023 ppm2 1.631 CV 1
OR { 73}
(( segid " " and resid 27 and name HE2 ))
(( segid " " and resid 27 and name HD2 ))
OR { 73}
(( segid " " and resid 27 and name HE1 ))
(( segid " " and resid 27 and name HD1 ))
OR { 73}
(( segid " " and resid 27 and name HE2 ))
(( segid " " and resid 27 and name HD1 ))
ASSI { 75}
(( segid " " and resid 27 and name HE1 ))
(( segid " " and resid 27 and name HA ))
3.300 1.400 1.400 peak 75 weight 0.10000E+01 volume 0.19146E-02 ppm1 2.964 ppm2 4.374 CV 1
OR { 75}
(( segid " " and resid 27 and name HE2 ))
(( segid " " and resid 27 and name HA ))
ASSI { 76}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 27 and name HA ))
2.200 0.600 0.600 peak 76 weight 0.10000E+01 volume 0.11139E-01 ppm1 1.694 ppm2 4.397 CV 1
OR { 76}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HA ))
ASSI { 77}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB1 ))
2.500 0.800 0.800 peak 77 weight 0.10000E+01 volume 0.40751E-02 ppm1 3.411 ppm2 1.749 CV 1
OR { 77}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB2 ))
ASSI { 78}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 28 and name HB1 ))
2.000 0.500 0.500 peak 78 weight 0.10000E+01 volume 0.18861E-01 ppm1 1.988 ppm2 1.749 CV 1
OR { 78}
(( segid " " and resid 28 and name HG1 ))
(( segid " " and resid 28 and name HB2 ))
OR { 78}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 28 and name HB2 ))
OR { 78}
(( segid " " and resid 28 and name HG1 ))
(( segid " " and resid 28 and name HB1 ))
ASSI { 80}
(( segid " " and resid 28 and name HG1 ))
(( segid " " and resid 28 and name HA ))
2.600 0.800 0.800 peak 80 weight 0.10000E+01 volume 0.64470E-02 ppm1 1.988 ppm2 3.413 CV 1
OR { 80}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 28 and name HA ))
ASSI { 81}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 58 and name HG2%)
2.400 0.700 0.700 peak 81 weight 0.10000E+01 volume 0.55050E-02 ppm1 3.411 ppm2 0.577 CV 1
ASSI { 83}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 58 and name HD1%)
3.600 1.600 1.600 peak 83 weight 0.10000E+01 volume 0.14855E-02 ppm1 3.411 ppm2 0.694 CV 1
ASSI { 86}
(( segid " " and resid 28 and name HG1 ))
( segid " " and resid 61 and name HD1%)
3.200 1.300 1.300 peak 86 weight 0.10000E+01 volume 0.23415E-02 ppm1 1.988 ppm2 0.014 CV 1
OR { 86}
(( segid " " and resid 28 and name HG2 ))
( segid " " and resid 61 and name HD1%)
ASSI { 90}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 55 and name HB2 ))
3.800 1.800 1.800 peak 90 weight 0.10000E+01 volume 0.14226E-02 ppm1 2.199 ppm2 2.592 CV 1
ASSI { 92}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HB2 ))
3.100 1.200 1.200 peak 92 weight 0.10000E+01 volume 0.16726E-02 ppm1 5.281 ppm2 3.835 CV 1
ASSI { 93}
(( segid " " and resid 33 and name HB1 ))
(( segid " " and resid 33 and name HA ))
2.900 1.000 1.000 peak 93 weight 0.10000E+01 volume 0.20973E-02 ppm1 3.599 ppm2 5.288 CV 1
ASSI { 95}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 55 and name HA ))
2.600 0.800 0.800 peak 95 weight 0.10000E+01 volume 0.31637E-02 ppm1 5.293 ppm2 5.147 CV 1
ASSI { 96}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HG1 ))
2.800 1.000 1.000 peak 96 weight 0.10000E+01 volume 0.25350E-02 ppm1 3.082 ppm2 1.069 CV 1
OR { 96}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HG2 ))
ASSI { 97}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB1 ))
2.600 0.900 0.900 peak 97 weight 0.10000E+01 volume 0.42517E-02 ppm1 3.082 ppm2 1.327 CV 1
OR { 97}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB2 ))
ASSI { 99}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HB2 ))
3.700 1.700 1.700 peak 99 weight 0.10000E+01 volume 0.17612E-02 ppm1 3.082 ppm2 2.944 CV 1
OR { 99}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HB1 ))
ASSI { 100}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 52 and name HB2 ))
3.100 1.200 1.200 peak 100 weight 0.10000E+01 volume 0.15430E-02 ppm1 3.082 ppm2 3.506 CV 1
OR { 100}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 52 and name HB1 ))
ASSI { 101}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 52 and name HA ))
3.700 1.800 1.800 peak 101 weight 0.10000E+01 volume 0.25525E-02 ppm1 3.082 ppm2 4.139 CV 1
ASSI { 102}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 53 and name HB1 ))
3.400 1.500 1.500 peak 102 weight 0.10000E+01 volume 0.40922E-02 ppm1 3.082 ppm2 1.397 CV 1
OR { 102}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 53 and name HB2 ))
ASSI { 103}
(( segid " " and resid 37 and name HB1 ))
(( segid " " and resid 37 and name HA ))
2.500 0.800 0.800 peak 103 weight 0.10000E+01 volume 0.47489E-02 ppm1 3.352 ppm2 4.163 CV 1
OR { 103}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HA ))
ASSI { 104}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 38 and name HG11))
3.300 1.300 1.300 peak 104 weight 0.10000E+01 volume 0.45702E-02 ppm1 3.352 ppm2 1.163 CV 1
OR { 104}
(( segid " " and resid 37 and name HB1 ))
(( segid " " and resid 38 and name HG11))
OR { 104}
(( segid " " and resid 37 and name HB1 ))
(( segid " " and resid 38 and name HG12))
ASSI { 107}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 22 and name HB1 ))
3.200 1.200 1.200 peak 107 weight 0.10000E+01 volume 0.67341E-02 ppm1 1.741 ppm2 1.374 CV 1
ASSI { 108}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 23 and name HB2 ))
2.200 0.600 0.600 peak 108 weight 0.10000E+01 volume 0.10249E-01 ppm1 1.741 ppm2 1.256 CV 1
OR { 108}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 23 and name HB1 ))
ASSI { 110}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB2 ))
3.100 1.200 1.200 peak 110 weight 0.10000E+01 volume 0.16785E-02 ppm1 5.258 ppm2 2.006 CV 1
ASSI { 111}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 49 and name HA ))
2.900 1.000 1.000 peak 111 weight 0.10000E+01 volume 0.20019E-02 ppm1 5.258 ppm2 4.819 CV 1
ASSI { 112}
( segid " " and resid 41 and name HG2%)
( segid " " and resid 21 and name HG2%)
2.500 0.800 0.800 peak 112 weight 0.10000E+01 volume 0.24244E-02 ppm1 0.564 ppm2 -0.079 CV 1
ASSI { 113}
( segid " " and resid 41 and name HG2%)
( segid " " and resid 21 and name HG1%)
1.900 0.500 0.500 peak 113 weight 0.10000E+01 volume 0.12871E-01 ppm1 0.564 ppm2 0.296 CV 1
ASSI { 115}
( segid " " and resid 41 and name HG2%)
(( segid " " and resid 21 and name HA ))
2.600 0.900 0.900 peak 115 weight 0.10000E+01 volume 0.11162E-01 ppm1 0.564 ppm2 3.483 CV 1
ASSI { 116}
( segid " " and resid 41 and name HG2%)
(( segid " " and resid 22 and name HB2 ))
3.900 1.900 1.900 peak 116 weight 0.10000E+01 volume 0.22737E-02 ppm1 0.564 ppm2 1.585 CV 1
ASSI { 118}
(( segid " " and resid 41 and name HA ))
( segid " " and resid 41 and name HG1%)
3.200 1.300 1.300 peak 118 weight 0.10000E+01 volume 0.12808E-02 ppm1 5.293 ppm2 0.694 CV 1
ASSI { 119}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HB ))
2.700 0.900 0.900 peak 119 weight 0.10000E+01 volume 0.27252E-02 ppm1 5.281 ppm2 1.702 CV 1
ASSI { 120}
( segid " " and resid 41 and name HG2%)
(( segid " " and resid 41 and name HB ))
2.300 0.600 0.600 peak 120 weight 0.10000E+01 volume 0.98093E-02 ppm1 0.564 ppm2 1.702 CV 1
ASSI { 121}
( segid " " and resid 41 and name HG2%)
(( segid " " and resid 41 and name HA ))
2.300 0.700 0.700 peak 121 weight 0.10000E+01 volume 0.14113E-01 ppm1 0.564 ppm2 5.288 CV 1
ASSI { 124}
(( segid " " and resid 42 and name HG1 ))
(( segid " " and resid 42 and name HB2 ))
2.600 0.800 0.800 peak 124 weight 0.10000E+01 volume 0.50306E-02 ppm1 2.305 ppm2 1.913 CV 1
OR { 124}
(( segid " " and resid 42 and name HG2 ))
(( segid " " and resid 42 and name HB1 ))
OR { 124}
(( segid " " and resid 42 and name HG2 ))
(( segid " " and resid 42 and name HB2 ))
OR { 124}
(( segid " " and resid 42 and name HG1 ))
(( segid " " and resid 42 and name HB1 ))
ASSI { 125}
(( segid " " and resid 42 and name HG2 ))
(( segid " " and resid 42 and name HA ))
2.900 1.100 1.100 peak 125 weight 0.10000E+01 volume 0.21590E-02 ppm1 2.294 ppm2 5.100 CV 1
OR { 125}
(( segid " " and resid 42 and name HG1 ))
(( segid " " and resid 42 and name HA ))
ASSI { 129}
(( segid " " and resid 43 and name HB2 ))
( segid " " and resid 19 and name HG2%)
3.200 1.300 1.300 peak 129 weight 0.10000E+01 volume 0.17486E-02 ppm1 3.740 ppm2 0.577 CV 1
OR { 129}
(( segid " " and resid 43 and name HB1 ))
( segid " " and resid 19 and name HG2%)
ASSI { 131}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 43 and name HA ))
2.900 1.000 1.000 peak 131 weight 0.10000E+01 volume 0.25539E-02 ppm1 3.740 ppm2 5.006 CV 1
OR { 131}
(( segid " " and resid 43 and name HB1 ))
(( segid " " and resid 43 and name HA ))
ASSI { 132}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 42 and name HA ))
2.700 0.900 0.900 peak 132 weight 0.10000E+01 volume 0.32604E-02 ppm1 5.187 ppm2 5.100 CV 1
ASSI { 133}
(( segid " " and resid 47 and name HB1 ))
(( segid " " and resid 47 and name HA ))
2.900 1.000 1.000 peak 133 weight 0.10000E+01 volume 0.26354E-02 ppm1 3.658 ppm2 5.194 CV 1
OR { 133}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 47 and name HA ))
ASSI { 137}
(( segid " " and resid 49 and name HB ))
( segid " " and resid 49 and name HG2%)
2.800 1.000 1.000 peak 137 weight 0.10000E+01 volume 0.33819E-02 ppm1 3.940 ppm2 1.163 CV 1
ASSI { 138}
(( segid " " and resid 50 and name HG11))
(( segid " " and resid 38 and name HB ))
3.300 1.400 1.400 peak 138 weight 0.10000E+01 volume 0.37989E-02 ppm1 1.564 ppm2 1.936 CV 1
OR { 138}
(( segid " " and resid 50 and name HG12))
(( segid " " and resid 38 and name HB ))
ASSI { 141}
( segid " " and resid 50 and name HG2%)
( segid " " and resid 50 and name HD1%)
2.500 0.800 0.800 peak 141 weight 0.10000E+01 volume 0.65439E-02 ppm1 1.023 ppm2 0.624 CV 1
ASSI { 142}
(( segid " " and resid 50 and name HB ))
( segid " " and resid 50 and name HG2%)
2.300 0.600 0.600 peak 142 weight 0.10000E+01 volume 0.76818E-02 ppm1 2.364 ppm2 1.022 CV 1
ASSI { 143}
(( segid " " and resid 50 and name HG11))
( segid " " and resid 50 and name HG2%)
2.500 0.800 0.800 peak 143 weight 0.10000E+01 volume 0.74674E-02 ppm1 1.564 ppm2 1.022 CV 1
OR { 143}
(( segid " " and resid 50 and name HG12))
( segid " " and resid 50 and name HG2%)
ASSI { 145}
(( segid " " and resid 50 and name HB ))
(( segid " " and resid 50 and name HG11))
2.700 0.900 0.900 peak 145 weight 0.10000E+01 volume 0.26207E-02 ppm1 2.364 ppm2 1.561 CV 1
OR { 145}
(( segid " " and resid 50 and name HB ))
(( segid " " and resid 50 and name HG12))
ASSI { 148}
( segid " " and resid 50 and name HG2%)
(( segid " " and resid 50 and name HA ))
2.500 0.800 0.800 peak 148 weight 0.10000E+01 volume 0.57217E-02 ppm1 1.023 ppm2 4.421 CV 1
ASSI { 149}
(( segid " " and resid 50 and name HB ))
(( segid " " and resid 50 and name HA ))
3.100 1.200 1.200 peak 149 weight 0.10000E+01 volume 0.16533E-02 ppm1 2.364 ppm2 4.421 CV 1
ASSI { 151}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 37 and name HA ))
2.900 1.000 1.000 peak 151 weight 0.10000E+01 volume 0.20260E-02 ppm1 5.117 ppm2 4.163 CV 1
ASSI { 152}
(( segid " " and resid 51 and name HB ))
( segid " " and resid 51 and name HG2%)
2.700 0.900 0.900 peak 152 weight 0.10000E+01 volume 0.40725E-02 ppm1 3.846 ppm2 1.069 CV 1
ASSI { 153}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 51 and name HG2%)
2.900 1.100 1.100 peak 153 weight 0.10000E+01 volume 0.21251E-02 ppm1 5.117 ppm2 1.069 CV 1
ASSI { 155}
(( segid " " and resid 51 and name HB ))
(( segid " " and resid 51 and name HA ))
2.800 1.000 1.000 peak 155 weight 0.10000E+01 volume 0.29655E-02 ppm1 3.858 ppm2 5.124 CV 1
ASSI { 156}
(( segid " " and resid 52 and name HB1 ))
( segid " " and resid 38 and name HD1%)
3.200 1.300 1.300 peak 156 weight 0.10000E+01 volume 0.22953E-02 ppm1 3.529 ppm2 0.811 CV 1
OR { 156}
(( segid " " and resid 52 and name HB2 ))
( segid " " and resid 38 and name HD1%)
ASSI { 157}
(( segid " " and resid 52 and name HB1 ))
(( segid " " and resid 52 and name HA ))
2.500 0.800 0.800 peak 157 weight 0.10000E+01 volume 0.66999E-02 ppm1 3.529 ppm2 4.139 CV 1
OR { 157}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 52 and name HA ))
ASSI { 159}
(( segid " " and resid 53 and name HD1 ))
(( segid " " and resid 53 and name HB2 ))
2.500 0.800 0.800 peak 159 weight 0.10000E+01 volume 0.74481E-02 ppm1 3.082 ppm2 1.350 CV 1
OR { 159}
(( segid " " and resid 53 and name HD2 ))
(( segid " " and resid 53 and name HB2 ))
OR { 159}
(( segid " " and resid 53 and name HD2 ))
(( segid " " and resid 53 and name HB1 ))
ASSI { 160}
(( segid " " and resid 53 and name HD2 ))
(( segid " " and resid 53 and name HG1 ))
2.600 0.800 0.800 peak 160 weight 0.10000E+01 volume 0.44874E-02 ppm1 3.082 ppm2 1.444 CV 1
OR { 160}
(( segid " " and resid 53 and name HD1 ))
(( segid " " and resid 53 and name HG1 ))
OR { 160}
(( segid " " and resid 53 and name HD2 ))
(( segid " " and resid 53 and name HG2 ))
OR { 160}
(( segid " " and resid 53 and name HD1 ))
(( segid " " and resid 53 and name HG2 ))
ASSI { 161}
(( segid " " and resid 53 and name HD1 ))
(( segid " " and resid 53 and name HA ))
3.100 1.200 1.200 peak 161 weight 0.10000E+01 volume 0.37402E-02 ppm1 3.082 ppm2 4.210 CV 1
OR { 161}
(( segid " " and resid 53 and name HD2 ))
(( segid " " and resid 53 and name HA ))
ASSI { 164}
(( segid " " and resid 54 and name HB1 ))
(( segid " " and resid 54 and name HA ))
2.700 0.900 0.900 peak 164 weight 0.10000E+01 volume 0.35851E-02 ppm1 2.929 ppm2 4.655 CV 1
ASSI { 165}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 54 and name HA ))
3.000 1.100 1.100 peak 165 weight 0.10000E+01 volume 0.23510E-02 ppm1 1.988 ppm2 4.655 CV 1
ASSI { 167}
(( segid " " and resid 55 and name HB1 ))
(( segid " " and resid 33 and name HA ))
3.200 1.300 1.300 peak 167 weight 0.10000E+01 volume 0.16451E-02 ppm1 2.788 ppm2 5.288 CV 1
ASSI { 169}
(( segid " " and resid 55 and name HB1 ))
(( segid " " and resid 55 and name HA ))
2.600 0.900 0.900 peak 169 weight 0.10000E+01 volume 0.42419E-02 ppm1 2.776 ppm2 5.147 CV 1
ASSI { 170}
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 55 and name HA ))
2.600 0.800 0.800 peak 170 weight 0.10000E+01 volume 0.39599E-02 ppm1 2.588 ppm2 5.147 CV 1
ASSI { 171}
( segid " " and resid 57 and name HG1%)
(( segid " " and resid 29 and name HA2 ))
2.800 1.000 1.000 peak 171 weight 0.10000E+01 volume 0.39078E-02 ppm1 0.729 ppm2 3.460 CV 1
OR { 171}
( segid " " and resid 57 and name HG1%)
(( segid " " and resid 29 and name HA1 ))
ASSI { 173}
( segid " " and resid 57 and name HG1%)
( segid " " and resid 31 and name HG2%)
3.600 1.600 1.600 peak 173 weight 0.10000E+01 volume 0.27351E-02 ppm1 0.729 ppm2 1.163 CV 1
ASSI { 174}
( segid " " and resid 57 and name HG1%)
(( segid " " and resid 57 and name HB ))
2.100 0.600 0.600 peak 174 weight 0.10000E+01 volume 0.14920E-01 ppm1 0.729 ppm2 1.796 CV 1
ASSI { 175}
( segid " " and resid 57 and name HG1%)
(( segid " " and resid 58 and name HG11))
3.900 1.900 1.900 peak 175 weight 0.10000E+01 volume 0.15114E-02 ppm1 0.729 ppm2 1.256 CV 1
OR { 175}
( segid " " and resid 57 and name HG1%)
(( segid " " and resid 58 and name HG12))
ASSI { 176}
( segid " " and resid 57 and name HG1%)
(( segid " " and resid 59 and name HB2 ))
3.100 1.200 1.200 peak 176 weight 0.10000E+01 volume 0.13857E-02 ppm1 0.729 ppm2 1.421 CV 1
ASSI { 177}
( segid " " and resid 57 and name HG1%)
(( segid " " and resid 79 and name HB2 ))
3.500 1.500 1.500 peak 177 weight 0.10000E+01 volume 0.19974E-02 ppm1 0.729 ppm2 1.983 CV 1
OR { 177}
( segid " " and resid 57 and name HG1%)
(( segid " " and resid 79 and name HB1 ))
ASSI { 181}
( segid " " and resid 58 and name HG2%)
( segid " " and resid 58 and name HD1%)
1.800 0.400 0.400 peak 181 weight 0.10000E+01 volume 0.29000E-01 ppm1 0.576 ppm2 0.694 CV 1
ASSI { 182}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 58 and name HG12))
2.300 0.600 0.600 peak 182 weight 0.10000E+01 volume 0.67326E-02 ppm1 0.576 ppm2 1.256 CV 1
OR { 182}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 58 and name HG11))
ASSI { 183}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 58 and name HB ))
2.100 0.500 0.500 peak 183 weight 0.10000E+01 volume 0.10554E-01 ppm1 0.588 ppm2 2.428 CV 1
ASSI { 184}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 58 and name HA ))
2.300 0.600 0.600 peak 184 weight 0.10000E+01 volume 0.64627E-02 ppm1 0.576 ppm2 4.069 CV 1
ASSI { 185}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 77 and name HB2 ))
3.600 1.600 1.600 peak 185 weight 0.10000E+01 volume 0.23167E-02 ppm1 0.576 ppm2 2.288 CV 1
ASSI { 186}
( segid " " and resid 58 and name HG2%)
( segid " " and resid 78 and name HG2%)
2.500 0.800 0.800 peak 186 weight 0.10000E+01 volume 0.18109E-01 ppm1 0.576 ppm2 0.460 CV 1
ASSI { 188}
(( segid " " and resid 60 and name HE2 ))
(( segid " " and resid 59 and name HB1 ))
3.200 1.300 1.300 peak 188 weight 0.10000E+01 volume 0.18249E-02 ppm1 1.988 ppm2 1.842 CV 1
OR { 188}
(( segid " " and resid 60 and name HE1 ))
(( segid " " and resid 59 and name HB1 ))
ASSI { 190}
(( segid " " and resid 60 and name HD1 ))
(( segid " " and resid 60 and name HG2 ))
2.800 1.000 1.000 peak 190 weight 0.10000E+01 volume 0.21432E-02 ppm1 1.153 ppm2 0.225 CV 1
OR { 190}
(( segid " " and resid 60 and name HD2 ))
(( segid " " and resid 60 and name HG1 ))
OR { 190}
(( segid " " and resid 60 and name HD2 ))
(( segid " " and resid 60 and name HG2 ))
OR { 190}
(( segid " " and resid 60 and name HD1 ))
(( segid " " and resid 60 and name HG1 ))
ASSI { 192}
(( segid " " and resid 60 and name HE2 ))
(( segid " " and resid 60 and name HG1 ))
2.700 0.900 0.900 peak 192 weight 0.10000E+01 volume 0.52616E-02 ppm1 1.976 ppm2 0.952 CV 1
OR { 192}
(( segid " " and resid 60 and name HE1 ))
(( segid " " and resid 60 and name HG1 ))
OR { 192}
(( segid " " and resid 60 and name HE1 ))
(( segid " " and resid 60 and name HG2 ))
OR { 192}
(( segid " " and resid 60 and name HE2 ))
(( segid " " and resid 60 and name HG2 ))
ASSI { 194}
(( segid " " and resid 60 and name HE2 ))
(( segid " " and resid 60 and name HD2 ))
2.500 0.800 0.800 peak 194 weight 0.10000E+01 volume 0.39459E-02 ppm1 2.117 ppm2 1.163 CV 1
OR { 194}
(( segid " " and resid 60 and name HE1 ))
(( segid " " and resid 60 and name HD1 ))
OR { 194}
(( segid " " and resid 60 and name HE2 ))
(( segid " " and resid 60 and name HD1 ))
OR { 194}
(( segid " " and resid 60 and name HE1 ))
(( segid " " and resid 60 and name HD2 ))
ASSI { 195}
(( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 60 and name HA ))
2.500 0.800 0.800 peak 195 weight 0.10000E+01 volume 0.32561E-02 ppm1 1.729 ppm2 4.327 CV 1
ASSI { 196}
(( segid " " and resid 60 and name HB1 ))
(( segid " " and resid 60 and name HA ))
2.700 0.900 0.900 peak 196 weight 0.10000E+01 volume 0.19398E-02 ppm1 1.282 ppm2 4.327 CV 1
ASSI { 199}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 27 and name HA ))
3.400 1.400 1.400 peak 199 weight 0.10000E+01 volume 0.28803E-02 ppm1 -0.306 ppm2 4.397 CV 1
ASSI { 200}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 28 and name HA ))
3.100 1.200 1.200 peak 200 weight 0.10000E+01 volume 0.13987E-02 ppm1 0.035 ppm2 3.413 CV 1
ASSI { 204}
(( segid " " and resid 61 and name HB2 ))
( segid " " and resid 61 and name HD1%)
2.800 1.000 1.000 peak 204 weight 0.10000E+01 volume 0.20254E-02 ppm1 1.305 ppm2 0.014 CV 1
ASSI { 207}
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 61 and name HG ))
2.500 0.800 0.800 peak 207 weight 0.10000E+01 volume 0.51129E-02 ppm1 1.305 ppm2 0.671 CV 1
ASSI { 208}
(( segid " " and resid 61 and name HB1 ))
(( segid " " and resid 61 and name HG ))
2.800 1.000 1.000 peak 208 weight 0.10000E+01 volume 0.31459E-02 ppm1 0.811 ppm2 0.671 CV 1
ASSI { 209}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 61 and name HG ))
2.200 0.600 0.600 peak 209 weight 0.10000E+01 volume 0.82258E-02 ppm1 0.035 ppm2 0.671 CV 1
ASSI { 210}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 61 and name HG ))
2.200 0.600 0.600 peak 210 weight 0.10000E+01 volume 0.66944E-02 ppm1 -0.306 ppm2 0.671 CV 1
ASSI { 211}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 61 and name HB1 ))
3.100 1.200 1.200 peak 211 weight 0.10000E+01 volume 0.34820E-02 ppm1 0.023 ppm2 0.788 CV 1
ASSI { 212}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 61 and name HB1 ))
2.400 0.700 0.700 peak 212 weight 0.10000E+01 volume 0.34384E-02 ppm1 -0.306 ppm2 0.788 CV 1
ASSI { 213}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 61 and name HB2 ))
2.900 1.100 1.100 peak 213 weight 0.10000E+01 volume 0.64078E-02 ppm1 -0.306 ppm2 1.280 CV 1
ASSI { 214}
(( segid " " and resid 61 and name HB1 ))
(( segid " " and resid 61 and name HA ))
2.500 0.800 0.800 peak 214 weight 0.10000E+01 volume 0.28989E-02 ppm1 0.811 ppm2 4.538 CV 1
ASSI { 215}
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 61 and name HA ))
3.100 1.200 1.200 peak 215 weight 0.10000E+01 volume 0.28341E-02 ppm1 1.305 ppm2 4.538 CV 1
ASSI { 216}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 61 and name HA ))
2.700 0.900 0.900 peak 216 weight 0.10000E+01 volume 0.49002E-02 ppm1 -0.306 ppm2 4.538 CV 1
ASSI { 217}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 61 and name HA ))
3.700 1.700 1.700 peak 217 weight 0.10000E+01 volume 0.22811E-02 ppm1 0.023 ppm2 4.538 CV 1
ASSI { 218}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 75 and name HG ))
3.600 1.600 1.600 peak 218 weight 0.10000E+01 volume 0.14007E-02 ppm1 -0.306 ppm2 0.952 CV 1
ASSI { 219}
( segid " " and resid 61 and name HD2%)
( segid " " and resid 76 and name HG1%)
2.700 0.900 0.900 peak 219 weight 0.10000E+01 volume 0.48644E-02 ppm1 -0.306 ppm2 1.069 CV 1
ASSI { 223}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 63 and name HA ))
3.300 1.300 1.300 peak 223 weight 0.10000E+01 volume 0.21942E-02 ppm1 2.658 ppm2 5.124 CV 1
ASSI { 224}
(( segid " " and resid 63 and name HB1 ))
(( segid " " and resid 63 and name HA ))
2.900 1.000 1.000 peak 224 weight 0.10000E+01 volume 0.15574E-02 ppm1 3.670 ppm2 5.124 CV 1
ASSI { 225}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 67 and name HB1 ))
4.300 2.300 1.700 peak 225 weight 0.10000E+01 volume 0.15451E-02 ppm1 2.658 ppm2 3.155 CV 1
ASSI { 226}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 64 and name HB1 ))
3.400 1.500 1.500 peak 226 weight 0.10000E+01 volume 0.15309E-02 ppm1 5.117 ppm2 2.803 CV 1
ASSI { 227}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 64 and name HB2 ))
2.700 0.900 0.900 peak 227 weight 0.10000E+01 volume 0.20356E-02 ppm1 5.128 ppm2 2.921 CV 1
ASSI { 229}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 21 and name HB ))
4.000 2.000 2.000 peak 229 weight 0.10000E+01 volume 0.13277E-02 ppm1 1.694 ppm2 1.960 CV 1
ASSI { 230}
(( segid " " and resid 65 and name HG ))
(( segid " " and resid 21 and name HB ))
2.800 1.000 1.000 peak 230 weight 0.10000E+01 volume 0.33350E-02 ppm1 1.847 ppm2 1.960 CV 1
ASSI { 231}
( segid " " and resid 65 and name HD2%)
(( segid " " and resid 23 and name HA ))
3.000 1.100 1.100 peak 231 weight 0.10000E+01 volume 0.51971E-02 ppm1 1.000 ppm2 4.210 CV 1
ASSI { 232}
(( segid " " and resid 65 and name HA ))
( segid " " and resid 65 and name HD1%)
3.300 1.300 1.300 peak 232 weight 0.10000E+01 volume 0.35592E-02 ppm1 3.752 ppm2 0.835 CV 1
ASSI { 233}
(( segid " " and resid 65 and name HB2 ))
( segid " " and resid 65 and name HD1%)
3.400 1.400 1.400 peak 233 weight 0.10000E+01 volume 0.29873E-02 ppm1 1.694 ppm2 0.835 CV 1
ASSI { 234}
(( segid " " and resid 65 and name HB1 ))
( segid " " and resid 65 and name HD1%)
2.700 0.900 0.900 peak 234 weight 0.10000E+01 volume 0.26631E-02 ppm1 1.435 ppm2 0.835 CV 1
ASSI { 235}
(( segid " " and resid 65 and name HB2 ))
( segid " " and resid 65 and name HD2%)
2.400 0.700 0.700 peak 235 weight 0.10000E+01 volume 0.52818E-02 ppm1 1.694 ppm2 0.999 CV 1
ASSI { 236}
(( segid " " and resid 65 and name HB1 ))
( segid " " and resid 65 and name HD2%)
3.400 1.400 1.400 peak 236 weight 0.10000E+01 volume 0.40674E-02 ppm1 1.423 ppm2 0.999 CV 1
ASSI { 241}
(( segid " " and resid 65 and name HG ))
(( segid " " and resid 65 and name HB2 ))
2.500 0.800 0.800 peak 241 weight 0.10000E+01 volume 0.61374E-02 ppm1 1.835 ppm2 1.702 CV 1
ASSI { 243}
(( segid " " and resid 65 and name HB1 ))
(( segid " " and resid 65 and name HG ))
2.500 0.800 0.800 peak 243 weight 0.10000E+01 volume 0.46733E-02 ppm1 1.423 ppm2 1.842 CV 1
ASSI { 244}
( segid " " and resid 65 and name HD2%)
(( segid " " and resid 65 and name HG ))
2.100 0.600 0.600 peak 244 weight 0.10000E+01 volume 0.12191E-01 ppm1 1.000 ppm2 1.842 CV 1
ASSI { 245}
(( segid " " and resid 65 and name HB1 ))
(( segid " " and resid 65 and name HA ))
2.400 0.700 0.700 peak 245 weight 0.10000E+01 volume 0.49600E-02 ppm1 1.423 ppm2 3.741 CV 1
ASSI { 246}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 65 and name HA ))
2.800 1.000 1.000 peak 246 weight 0.10000E+01 volume 0.46373E-02 ppm1 1.694 ppm2 3.741 CV 1
ASSI { 249}
(( segid " " and resid 67 and name HB1 ))
(( segid " " and resid 63 and name HB1 ))
2.800 1.000 1.000 peak 249 weight 0.10000E+01 volume 0.19025E-02 ppm1 3.164 ppm2 3.671 CV 1
ASSI { 250}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 63 and name HB1 ))
2.900 1.000 1.000 peak 250 weight 0.10000E+01 volume 0.18889E-02 ppm1 2.835 ppm2 3.671 CV 1
ASSI { 251}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 67 and name HA ))
2.700 0.900 0.900 peak 251 weight 0.10000E+01 volume 0.30377E-02 ppm1 2.835 ppm2 4.702 CV 1
ASSI { 252}
(( segid " " and resid 67 and name HB1 ))
(( segid " " and resid 67 and name HA ))
3.000 1.100 1.100 peak 252 weight 0.10000E+01 volume 0.25384E-02 ppm1 3.176 ppm2 4.702 CV 1
ASSI { 256}
( segid " " and resid 68 and name HG2%)
( segid " " and resid 20 and name HG2%)
3.800 1.900 1.900 peak 256 weight 0.10000E+01 volume 0.14654E-02 ppm1 0.341 ppm2 0.928 CV 1
ASSI { 259}
( segid " " and resid 68 and name HG2%)
( segid " " and resid 68 and name HD1%)
2.400 0.700 0.700 peak 259 weight 0.10000E+01 volume 0.84056E-02 ppm1 0.341 ppm2 0.671 CV 1
ASSI { 260}
(( segid " " and resid 68 and name HB ))
( segid " " and resid 68 and name HD1%)
3.300 1.300 1.300 peak 260 weight 0.10000E+01 volume 0.30443E-02 ppm1 1.576 ppm2 0.694 CV 1
ASSI { 263}
( segid " " and resid 68 and name HG2%)
(( segid " " and resid 68 and name HG11))
2.700 0.900 0.900 peak 263 weight 0.10000E+01 volume 0.54173E-02 ppm1 0.329 ppm2 1.421 CV 1
OR { 263}
( segid " " and resid 68 and name HG2%)
(( segid " " and resid 68 and name HG12))
ASSI { 264}
(( segid " " and resid 68 and name HB ))
(( segid " " and resid 68 and name HG11))
2.500 0.800 0.800 peak 264 weight 0.10000E+01 volume 0.56734E-02 ppm1 1.576 ppm2 1.444 CV 1
OR { 264}
(( segid " " and resid 68 and name HB ))
(( segid " " and resid 68 and name HG12))
ASSI { 265}
( segid " " and resid 68 and name HG2%)
(( segid " " and resid 68 and name HB ))
2.100 0.500 0.500 peak 265 weight 0.10000E+01 volume 0.13841E-01 ppm1 0.329 ppm2 1.561 CV 1
ASSI { 266}
( segid " " and resid 68 and name HG2%)
(( segid " " and resid 68 and name HA ))
2.300 0.700 0.700 peak 266 weight 0.10000E+01 volume 0.82328E-02 ppm1 0.341 ppm2 4.303 CV 1
ASSI { 270}
(( segid " " and resid 71 and name HA ))
( segid " " and resid 9 and name HD2%)
2.900 1.100 1.100 peak 270 weight 0.10000E+01 volume 0.29744E-02 ppm1 3.387 ppm2 0.460 CV 1
ASSI { 271}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 9 and name HG ))
3.400 1.400 1.400 peak 271 weight 0.10000E+01 volume 0.14387E-02 ppm1 3.387 ppm2 1.585 CV 1
ASSI { 272}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 9 and name HB1 ))
2.800 1.000 1.000 peak 272 weight 0.10000E+01 volume 0.28573E-02 ppm1 3.387 ppm2 1.960 CV 1
OR { 272}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 9 and name HB2 ))
ASSI { 273}
(( segid " " and resid 71 and name HA ))
( segid " " and resid 71 and name HG2%)
2.600 0.800 0.800 peak 273 weight 0.10000E+01 volume 0.52451E-02 ppm1 3.387 ppm2 0.835 CV 1
ASSI { 274}
(( segid " " and resid 71 and name HA ))
( segid " " and resid 71 and name HG1%)
2.900 1.100 1.100 peak 274 weight 0.10000E+01 volume 0.32649E-02 ppm1 3.387 ppm2 0.952 CV 1
ASSI { 279}
(( segid " " and resid 73 and name HE2 ))
(( segid " " and resid 73 and name HB2 ))
2.800 1.000 1.000 peak 279 weight 0.10000E+01 volume 0.75011E-02 ppm1 2.905 ppm2 1.725 CV 1
OR { 279}
(( segid " " and resid 73 and name HE1 ))
(( segid " " and resid 73 and name HB2 ))
OR { 279}
(( segid " " and resid 73 and name HE2 ))
(( segid " " and resid 73 and name HB1 ))
OR { 279}
(( segid " " and resid 73 and name HE1 ))
(( segid " " and resid 73 and name HB1 ))
ASSI { 280}
(( segid " " and resid 73 and name HE1 ))
(( segid " " and resid 73 and name HA ))
3.300 1.300 1.300 peak 280 weight 0.10000E+01 volume 0.23472E-02 ppm1 2.905 ppm2 4.889 CV 1
ASSI { 281}
(( segid " " and resid 73 and name HE1 ))
(( segid " " and resid 74 and name HD2 ))
3.200 1.300 1.300 peak 281 weight 0.10000E+01 volume 0.24512E-02 ppm1 2.905 ppm2 3.460 CV 1
OR { 281}
(( segid " " and resid 73 and name HE1 ))
(( segid " " and resid 74 and name HD1 ))
ASSI { 282}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 8 and name HA ))
2.300 0.700 0.700 peak 282 weight 0.10000E+01 volume 0.38223E-02 ppm1 3.740 ppm2 4.210 CV 1
ASSI { 283}
(( segid " " and resid 74 and name HD2 ))
(( segid " " and resid 73 and name HB1 ))
3.500 1.500 1.500 peak 283 weight 0.10000E+01 volume 0.20006E-02 ppm1 3.458 ppm2 1.749 CV 1
OR { 283}
(( segid " " and resid 74 and name HD1 ))
(( segid " " and resid 73 and name HB1 ))
OR { 283}
(( segid " " and resid 74 and name HD2 ))
(( segid " " and resid 73 and name HB2 ))
OR { 283}
(( segid " " and resid 74 and name HD1 ))
(( segid " " and resid 73 and name HB2 ))
ASSI { 285}
(( segid " " and resid 74 and name HD1 ))
(( segid " " and resid 73 and name HA ))
2.600 0.800 0.800 peak 285 weight 0.10000E+01 volume 0.26880E-02 ppm1 3.458 ppm2 4.889 CV 1
OR { 285}
(( segid " " and resid 74 and name HD2 ))
(( segid " " and resid 73 and name HA ))
ASSI { 289}
(( segid " " and resid 74 and name HG1 ))
(( segid " " and resid 74 and name HB1 ))
2.800 0.900 0.900 peak 289 weight 0.10000E+01 volume 0.26032E-02 ppm1 1.741 ppm2 1.163 CV 1
OR { 289}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 74 and name HB2 ))
OR { 289}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 74 and name HB1 ))
OR { 289}
(( segid " " and resid 74 and name HG1 ))
(( segid " " and resid 74 and name HB2 ))
ASSI { 291}
(( segid " " and resid 74 and name HG1 ))
(( segid " " and resid 74 and name HD1 ))
2.800 1.000 1.000 peak 291 weight 0.10000E+01 volume 0.20408E-02 ppm1 1.423 ppm2 3.460 CV 1
OR { 291}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 74 and name HD2 ))
OR { 291}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 74 and name HD1 ))
OR { 291}
(( segid " " and resid 74 and name HG1 ))
(( segid " " and resid 74 and name HD2 ))
ASSI { 292}
(( segid " " and resid 75 and name HB2 ))
( segid " " and resid 75 and name HD1%)
2.600 0.800 0.800 peak 292 weight 0.10000E+01 volume 0.53565E-02 ppm1 1.647 ppm2 0.952 CV 1
OR { 292}
(( segid " " and resid 75 and name HB1 ))
( segid " " and resid 75 and name HD1%)
ASSI { 294}
(( segid " " and resid 75 and name HB2 ))
(( segid " " and resid 75 and name HA ))
2.900 1.100 1.100 peak 294 weight 0.10000E+01 volume 0.22425E-02 ppm1 1.647 ppm2 4.889 CV 1
OR { 294}
(( segid " " and resid 75 and name HB1 ))
(( segid " " and resid 75 and name HA ))
ASSI { 296}
(( segid " " and resid 75 and name HB2 ))
( segid " " and resid 76 and name HG1%)
3.700 1.700 1.700 peak 296 weight 0.10000E+01 volume 0.15488E-02 ppm1 1.635 ppm2 1.069 CV 1
OR { 296}
(( segid " " and resid 75 and name HB1 ))
( segid " " and resid 76 and name HG1%)
ASSI { 297}
(( segid " " and resid 75 and name HB2 ))
( segid " " and resid 76 and name HG2%)
3.900 1.900 1.900 peak 297 weight 0.10000E+01 volume 0.16152E-02 ppm1 1.635 ppm2 1.256 CV 1
OR { 297}
(( segid " " and resid 75 and name HB1 ))
( segid " " and resid 76 and name HG2%)
ASSI { 299}
( segid " " and resid 76 and name HG2%)
(( segid " " and resid 7 and name HB1 ))
4.400 2.500 1.600 peak 299 weight 0.10000E+01 volume 0.13542E-02 ppm1 1.270 ppm2 2.850 CV 1
OR { 299}
( segid " " and resid 76 and name HG2%)
(( segid " " and resid 7 and name HB2 ))
ASSI { 301}
( segid " " and resid 76 and name HG2%)
( segid " " and resid 58 and name HD1%)
2.900 1.100 1.100 peak 301 weight 0.10000E+01 volume 0.59897E-02 ppm1 1.270 ppm2 0.694 CV 1
ASSI { 302}
( segid " " and resid 76 and name HG2%)
(( segid " " and resid 60 and name HD1 ))
2.400 0.700 0.700 peak 302 weight 0.10000E+01 volume 0.15411E-01 ppm1 1.270 ppm2 1.163 CV 1
OR { 302}
( segid " " and resid 76 and name HG2%)
(( segid " " and resid 60 and name HD2 ))
ASSI { 303}
( segid " " and resid 76 and name HG2%)
( segid " " and resid 61 and name HD2%)
2.400 0.700 0.700 peak 303 weight 0.10000E+01 volume 0.36419E-02 ppm1 1.270 ppm2 -0.314 CV 1
ASSI { 305}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 61 and name HA ))
3.000 1.100 1.100 peak 305 weight 0.10000E+01 volume 0.21098E-02 ppm1 5.611 ppm2 4.538 CV 1
ASSI { 306}
( segid " " and resid 76 and name HG2%)
(( segid " " and resid 61 and name HA ))
2.600 0.800 0.800 peak 306 weight 0.10000E+01 volume 0.45404E-02 ppm1 1.270 ppm2 4.538 CV 1
ASSI { 307}
(( segid " " and resid 76 and name HB ))
( segid " " and resid 76 and name HG1%)
2.400 0.700 0.700 peak 307 weight 0.10000E+01 volume 0.42054E-02 ppm1 2.470 ppm2 1.092 CV 1
ASSI { 309}
(( segid " " and resid 76 and name HB ))
( segid " " and resid 76 and name HG2%)
2.400 0.700 0.700 peak 309 weight 0.10000E+01 volume 0.47414E-02 ppm1 2.470 ppm2 1.256 CV 1
ASSI { 311}
(( segid " " and resid 76 and name HB ))
(( segid " " and resid 76 and name HA ))
2.400 0.700 0.700 peak 311 weight 0.10000E+01 volume 0.45164E-02 ppm1 2.470 ppm2 5.616 CV 1
ASSI { 312}
( segid " " and resid 76 and name HG2%)
(( segid " " and resid 76 and name HA ))
2.600 0.800 0.800 peak 312 weight 0.10000E+01 volume 0.43439E-02 ppm1 1.270 ppm2 5.616 CV 1
ASSI { 313}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 6 and name HA ))
2.500 0.800 0.800 peak 313 weight 0.10000E+01 volume 0.44835E-02 ppm1 5.893 ppm2 4.960 CV 1
ASSI { 314}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 77 and name HB2 ))
2.600 0.800 0.800 peak 314 weight 0.10000E+01 volume 0.25677E-02 ppm1 5.881 ppm2 2.288 CV 1
ASSI { 315}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 77 and name HB1 ))
3.100 1.200 1.200 peak 315 weight 0.10000E+01 volume 0.24305E-02 ppm1 5.893 ppm2 2.452 CV 1
ASSI { 319}
(( segid " " and resid 77 and name HB2 ))
(( segid " " and resid 78 and name HG11))
3.400 1.400 1.400 peak 319 weight 0.10000E+01 volume 0.23825E-02 ppm1 2.294 ppm2 0.647 CV 1
OR { 319}
(( segid " " and resid 77 and name HB2 ))
(( segid " " and resid 78 and name HG12))
ASSI { 322}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 78 and name HG11))
3.500 1.500 1.500 peak 322 weight 0.10000E+01 volume 0.15023E-02 ppm1 5.881 ppm2 0.671 CV 1
OR { 322}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 78 and name HG12))
ASSI { 323}
(( segid " " and resid 78 and name HG12))
( segid " " and resid 5 and name HG2%)
3.800 1.800 1.800 peak 323 weight 0.10000E+01 volume 0.15673E-02 ppm1 1.494 ppm2 0.436 CV 1
OR { 323}
(( segid " " and resid 78 and name HG11))
( segid " " and resid 5 and name HG2%)
ASSI { 328}
(( segid " " and resid 78 and name HB ))
( segid " " and resid 78 and name HD1%)
2.400 0.700 0.700 peak 328 weight 0.10000E+01 volume 0.46988E-02 ppm1 1.341 ppm2 0.553 CV 1
ASSI { 329}
( segid " " and resid 78 and name HD1%)
(( segid " " and resid 78 and name HG12))
1.800 0.400 0.400 peak 329 weight 0.10000E+01 volume 0.24757E-01 ppm1 0.553 ppm2 0.671 CV 1
OR { 329}
( segid " " and resid 78 and name HD1%)
(( segid " " and resid 78 and name HG11))
ASSI { 330}
( segid " " and resid 78 and name HG2%)
(( segid " " and resid 78 and name HG12))
2.100 0.500 0.500 peak 330 weight 0.10000E+01 volume 0.10670E-01 ppm1 0.459 ppm2 0.671 CV 1
OR { 330}
( segid " " and resid 78 and name HG2%)
(( segid " " and resid 78 and name HG11))
ASSI { 332}
( segid " " and resid 78 and name HG2%)
(( segid " " and resid 78 and name HB ))
2.200 0.600 0.600 peak 332 weight 0.10000E+01 volume 0.66272E-02 ppm1 0.459 ppm2 1.327 CV 1
ASSI { 335}
(( segid " " and resid 78 and name HB ))
(( segid " " and resid 78 and name HA ))
2.900 1.100 1.100 peak 335 weight 0.10000E+01 volume 0.20514E-02 ppm1 1.341 ppm2 4.819 CV 1
ASSI { 336}
( segid " " and resid 78 and name HG2%)
(( segid " " and resid 78 and name HA ))
2.300 0.600 0.600 peak 336 weight 0.10000E+01 volume 0.62769E-02 ppm1 0.459 ppm2 4.819 CV 1
ASSI { 337}
( segid " " and resid 78 and name HD1%)
(( segid " " and resid 78 and name HA ))
3.800 1.800 1.800 peak 337 weight 0.10000E+01 volume 0.15104E-02 ppm1 0.553 ppm2 4.819 CV 1
ASSI { 338}
( segid " " and resid 78 and name HG2%)
(( segid " " and resid 79 and name HB2 ))
3.800 1.800 1.800 peak 338 weight 0.10000E+01 volume 0.17856E-02 ppm1 0.459 ppm2 1.983 CV 1
OR { 338}
( segid " " and resid 78 and name HG2%)
(( segid " " and resid 79 and name HB1 ))
ASSI { 339}
( segid " " and resid 78 and name HG2%)
( segid " " and resid 80 and name HG2%)
2.700 0.900 0.900 peak 339 weight 0.10000E+01 volume 0.42213E-02 ppm1 0.459 ppm2 0.999 CV 1
ASSI { 345}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 80 and name HB ))
2.300 0.700 0.700 peak 345 weight 0.10000E+01 volume 0.92810E-02 ppm1 1.000 ppm2 4.139 CV 1
ASSI { 346}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 80 and name HA ))
2.600 0.900 0.900 peak 346 weight 0.10000E+01 volume 0.48764E-02 ppm1 1.000 ppm2 4.936 CV 1
ASSI { 347}
(( segid " " and resid 83 and name HB1 ))
(( segid " " and resid 83 and name HA ))
2.600 0.800 0.800 peak 347 weight 0.10000E+01 volume 0.53217E-02 ppm1 1.564 ppm2 4.303 CV 1
OR { 347}
(( segid " " and resid 83 and name HB2 ))
(( segid " " and resid 83 and name HA ))
ASSI { 348}
(( segid " " and resid 86 and name HB2 ))
( segid " " and resid 86 and name HD1%)
2.500 0.800 0.800 peak 348 weight 0.10000E+01 volume 0.87862E-02 ppm1 1.564 ppm2 0.835 CV 1
OR { 348}
(( segid " " and resid 86 and name HB1 ))
( segid " " and resid 86 and name HD1%)
ASSI { 349}
(( segid " " and resid 86 and name HB1 ))
(( segid " " and resid 86 and name HA ))
2.800 1.000 1.000 peak 349 weight 0.10000E+01 volume 0.34037E-02 ppm1 1.576 ppm2 4.233 CV 1
OR { 349}
(( segid " " and resid 86 and name HB2 ))
(( segid " " and resid 86 and name HA ))
ASSI { 360}
( segid " " and resid 4 and name HG1%)
(( segid " " and resid 59 and name HD2 ))
3.100 1.200 1.200 peak 360 weight 0.10000E+01 volume 0.29763E-02 ppm1 0.653 ppm2 1.665 CV 1
OR { 360}
( segid " " and resid 4 and name HG1%)
(( segid " " and resid 59 and name HD1 ))
OR { 360}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 59 and name HD1 ))
OR { 360}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 59 and name HD2 ))
ASSI { 361}
( segid " " and resid 4 and name HG1%)
(( segid " " and resid 59 and name HB2 ))
3.100 1.200 1.200 peak 361 weight 0.10000E+01 volume 0.31449E-02 ppm1 0.653 ppm2 1.428 CV 1
OR { 361}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 59 and name HB2 ))
ASSI { 364}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 77 and name HA ))
2.800 1.000 1.000 peak 364 weight 0.10000E+01 volume 0.46577E-02 ppm1 0.653 ppm2 5.884 CV 1
ASSI { 365}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 77 and name HB2 ))
2.900 1.100 1.100 peak 365 weight 0.10000E+01 volume 0.27379E-02 ppm1 1.913 ppm2 2.268 CV 1
ASSI { 366}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 77 and name HB2 ))
2.300 0.700 0.700 peak 366 weight 0.10000E+01 volume 0.63805E-02 ppm1 0.653 ppm2 2.246 CV 1
OR { 366}
( segid " " and resid 4 and name HG1%)
(( segid " " and resid 77 and name HB2 ))
ASSI { 368}
(( segid " " and resid 4 and name HB ))
( segid " " and resid 78 and name HD1%)
3.800 1.800 1.800 peak 368 weight 0.10000E+01 volume 0.16525E-02 ppm1 1.891 ppm2 0.524 CV 1
ASSI { 369}
( segid " " and resid 4 and name HG1%)
(( segid " " and resid 79 and name HA ))
3.100 1.200 1.200 peak 369 weight 0.10000E+01 volume 0.42626E-02 ppm1 0.653 ppm2 4.851 CV 1
OR { 369}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 79 and name HA ))
ASSI { 370}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 79 and name HG2 ))
2.500 0.800 0.800 peak 370 weight 0.10000E+01 volume 0.75854E-02 ppm1 1.913 ppm2 1.794 CV 1
OR { 370}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 79 and name HG1 ))
ASSI { 373}
( segid " " and resid 5 and name HG2%)
( segid " " and resid 78 and name HD1%)
2.100 0.500 0.500 peak 373 weight 0.10000E+01 volume 0.19154E-01 ppm1 0.417 ppm2 0.503 CV 1
ASSI { 374}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 80 and name HB ))
3.400 1.400 1.400 peak 374 weight 0.10000E+01 volume 0.15655E-02 ppm1 0.417 ppm2 4.119 CV 1
ASSI { 375}
( segid " " and resid 5 and name HG2%)
( segid " " and resid 80 and name HG2%)
2.500 0.800 0.800 peak 375 weight 0.10000E+01 volume 0.83704E-02 ppm1 0.417 ppm2 0.976 CV 1
ASSI { 376}
(( segid " " and resid 7 and name HB1 ))
( segid " " and resid 75 and name HD2%)
3.400 1.500 1.500 peak 376 weight 0.10000E+01 volume 0.19663E-02 ppm1 2.817 ppm2 0.912 CV 1
OR { 376}
(( segid " " and resid 7 and name HB2 ))
( segid " " and resid 75 and name HD2%)
ASSI { 378}
(( segid " " and resid 8 and name HE2 ))
(( segid " " and resid 73 and name HA ))
2.900 1.100 1.100 peak 378 weight 0.10000E+01 volume 0.34274E-02 ppm1 2.892 ppm2 4.894 CV 1
OR { 378}
(( segid " " and resid 8 and name HE1 ))
(( segid " " and resid 73 and name HA ))
ASSI { 379}
(( segid " " and resid 8 and name HE1 ))
(( segid " " and resid 74 and name HA ))
3.100 1.200 1.200 peak 379 weight 0.10000E+01 volume 0.39592E-02 ppm1 2.903 ppm2 3.731 CV 1
OR { 379}
(( segid " " and resid 8 and name HE2 ))
(( segid " " and resid 74 and name HA ))
ASSI { 382}
( segid " " and resid 12 and name HG2%)
( segid " " and resid 19 and name HG1%)
3.800 1.800 1.800 peak 382 weight 0.10000E+01 volume 0.18430E-02 ppm1 0.750 ppm2 0.287 CV 1
ASSI { 383}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 43 and name HB2 ))
3.400 1.400 1.400 peak 383 weight 0.10000E+01 volume 0.19518E-02 ppm1 0.589 ppm2 3.731 CV 1
OR { 383}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 43 and name HB1 ))
ASSI { 387}
(( segid " " and resid 18 and name HG2 ))
( segid " " and resid 68 and name HG2%)
3.500 1.500 1.500 peak 387 weight 0.10000E+01 volume 0.37427E-02 ppm1 1.956 ppm2 0.309 CV 1
OR { 387}
(( segid " " and resid 18 and name HG1 ))
( segid " " and resid 68 and name HG2%)
ASSI { 389}
( segid " " and resid 19 and name HG1%)
( segid " " and resid 9 and name HD2%)
2.600 0.900 0.900 peak 389 weight 0.10000E+01 volume 0.78608E-02 ppm1 0.309 ppm2 0.438 CV 1
OR { 389}
( segid " " and resid 19 and name HG1%)
( segid " " and resid 9 and name HD1%)
ASSI { 390}
( segid " " and resid 19 and name HG1%)
( segid " " and resid 12 and name HD1%)
2.000 0.500 0.500 peak 390 weight 0.10000E+01 volume 0.23089E-01 ppm1 0.298 ppm2 0.546 CV 1
ASSI { 392}
( segid " " and resid 19 and name HG1%)
(( segid " " and resid 41 and name HA ))
3.300 1.300 1.300 peak 392 weight 0.10000E+01 volume 0.28843E-02 ppm1 0.298 ppm2 5.260 CV 1
ASSI { 393}
( segid " " and resid 19 and name HG1%)
(( segid " " and resid 41 and name HB ))
2.500 0.800 0.800 peak 393 weight 0.10000E+01 volume 0.59452E-02 ppm1 0.298 ppm2 1.708 CV 1
ASSI { 394}
( segid " " and resid 19 and name HG1%)
( segid " " and resid 41 and name HG1%)
2.400 0.700 0.700 peak 394 weight 0.10000E+01 volume 0.81797E-02 ppm1 0.298 ppm2 0.675 CV 1
ASSI { 396}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 41 and name HA ))
4.200 2.200 1.800 peak 396 weight 0.10000E+01 volume 0.19138E-02 ppm1 0.901 ppm2 5.281 CV 1
ASSI { 399}
( segid " " and resid 21 and name HG2%)
(( segid " " and resid 39 and name HB2 ))
2.900 1.100 1.100 peak 399 weight 0.10000E+01 volume 0.27103E-02 ppm1 -0.079 ppm2 2.526 CV 1
OR { 399}
( segid " " and resid 21 and name HG2%)
(( segid " " and resid 39 and name HB1 ))
ASSI { 400}
( segid " " and resid 21 and name HG2%)
(( segid " " and resid 41 and name HA ))
3.600 1.600 1.600 peak 400 weight 0.10000E+01 volume 0.22569E-02 ppm1 -0.079 ppm2 5.260 CV 1
ASSI { 402}
( segid " " and resid 21 and name HG2%)
(( segid " " and resid 65 and name HA ))
2.600 0.900 0.900 peak 402 weight 0.10000E+01 volume 0.70937E-02 ppm1 -0.079 ppm2 3.731 CV 1
ASSI { 407}
(( segid " " and resid 22 and name HE2 ))
(( segid " " and resid 42 and name HB2 ))
3.200 1.300 1.300 peak 407 weight 0.10000E+01 volume 0.21184E-02 ppm1 2.784 ppm2 1.816 CV 1
OR { 407}
(( segid " " and resid 22 and name HE1 ))
(( segid " " and resid 42 and name HB2 ))
OR { 407}
(( segid " " and resid 22 and name HE2 ))
(( segid " " and resid 42 and name HB1 ))
OR { 407}
(( segid " " and resid 22 and name HE1 ))
(( segid " " and resid 42 and name HB1 ))
ASSI { 409}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 38 and name HA ))
2.600 0.800 0.800 peak 409 weight 0.10000E+01 volume 0.45829E-02 ppm1 1.041 ppm2 4.657 CV 1
ASSI { 410}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 58 and name HB ))
3.700 1.800 1.800 peak 410 weight 0.10000E+01 volume 0.32815E-02 ppm1 1.041 ppm2 2.397 CV 1
ASSI { 411}
( segid " " and resid 26 and name HG2%)
( segid " " and resid 58 and name HG2%)
3.400 1.400 1.400 peak 411 weight 0.10000E+01 volume 0.78443E-02 ppm1 1.041 ppm2 0.567 CV 1
ASSI { 413}
( segid " " and resid 26 and name HG2%)
(( segid " " and resid 61 and name HG ))
3.100 1.200 1.200 peak 413 weight 0.10000E+01 volume 0.10353E-01 ppm1 1.041 ppm2 0.675 CV 1
ASSI { 414}
( segid " " and resid 26 and name HG2%)
( segid " " and resid 61 and name HD2%)
3.300 1.400 1.400 peak 414 weight 0.10000E+01 volume 0.54151E-02 ppm1 1.041 ppm2 -0.337 CV 1
ASSI { 417}
(( segid " " and resid 28 and name HG2 ))
( segid " " and resid 58 and name HG2%)
3.200 1.300 1.300 peak 417 weight 0.10000E+01 volume 0.42354E-02 ppm1 1.977 ppm2 0.567 CV 1
OR { 417}
(( segid " " and resid 28 and name HG1 ))
( segid " " and resid 58 and name HG2%)
ASSI { 418}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 60 and name HA ))
2.500 0.800 0.800 peak 418 weight 0.10000E+01 volume 0.61520E-02 ppm1 1.977 ppm2 4.313 CV 1
OR { 418}
(( segid " " and resid 28 and name HG1 ))
(( segid " " and resid 60 and name HA ))
ASSI { 419}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 61 and name HA ))
3.700 1.700 1.700 peak 419 weight 0.10000E+01 volume 0.22890E-02 ppm1 1.977 ppm2 4.549 CV 1
OR { 419}
(( segid " " and resid 28 and name HG1 ))
(( segid " " and resid 61 and name HA ))
ASSI { 420}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 61 and name HG ))
3.000 1.100 1.100 peak 420 weight 0.10000E+01 volume 0.39727E-02 ppm1 1.977 ppm2 0.653 CV 1
OR { 420}
(( segid " " and resid 28 and name HG1 ))
(( segid " " and resid 61 and name HG ))
ASSI { 421}
(( segid " " and resid 28 and name HG1 ))
( segid " " and resid 61 and name HD2%)
4.000 2.000 2.000 peak 421 weight 0.10000E+01 volume 0.15650E-02 ppm1 1.977 ppm2 -0.315 CV 1
OR { 421}
(( segid " " and resid 28 and name HG2 ))
( segid " " and resid 61 and name HD2%)
ASSI { 425}
( segid " " and resid 32 and name HG1%)
(( segid " " and resid 36 and name HB1 ))
2.900 1.100 1.100 peak 425 weight 0.10000E+01 volume 0.26326E-02 ppm1 0.804 ppm2 2.677 CV 1
OR { 425}
( segid " " and resid 32 and name HG1%)
(( segid " " and resid 36 and name HB2 ))
ASSI { 426}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 36 and name HB2 ))
3.600 1.600 1.600 peak 426 weight 0.10000E+01 volume 0.28204E-02 ppm1 2.182 ppm2 2.655 CV 1
OR { 426}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 36 and name HB1 ))
ASSI { 427}
( segid " " and resid 32 and name HG1%)
(( segid " " and resid 37 and name HA ))
2.800 1.000 1.000 peak 427 weight 0.10000E+01 volume 0.24598E-02 ppm1 0.815 ppm2 4.140 CV 1
ASSI { 428}
( segid " " and resid 32 and name HG1%)
(( segid " " and resid 52 and name HB2 ))
3.200 1.300 1.300 peak 428 weight 0.10000E+01 volume 0.20799E-02 ppm1 0.815 ppm2 3.495 CV 1
OR { 428}
( segid " " and resid 32 and name HG1%)
(( segid " " and resid 52 and name HB1 ))
ASSI { 429}
( segid " " and resid 32 and name HG1%)
(( segid " " and resid 55 and name HA ))
3.600 1.700 1.700 peak 429 weight 0.10000E+01 volume 0.25322E-02 ppm1 0.815 ppm2 5.131 CV 1
ASSI { 430}
( segid " " and resid 32 and name HG1%)
(( segid " " and resid 58 and name HA ))
4.500 2.500 1.500 peak 430 weight 0.10000E+01 volume 0.15263E-02 ppm1 0.815 ppm2 4.076 CV 1
ASSI { 431}
( segid " " and resid 32 and name HG1%)
( segid " " and resid 58 and name HD1%)
1.900 0.400 0.400 peak 431 weight 0.10000E+01 volume 0.16352E-01 ppm1 0.815 ppm2 0.675 CV 1
ASSI { 432}
(( segid " " and resid 32 and name HB ))
( segid " " and resid 58 and name HD1%)
3.900 1.900 1.900 peak 432 weight 0.10000E+01 volume 0.19384E-02 ppm1 2.182 ppm2 0.675 CV 1
ASSI { 433}
( segid " " and resid 32 and name HG1%)
( segid " " and resid 58 and name HG2%)
3.400 1.500 1.500 peak 433 weight 0.10000E+01 volume 0.63529E-02 ppm1 0.804 ppm2 0.546 CV 1
ASSI { 434}
( segid " " and resid 32 and name HG1%)
( segid " " and resid 78 and name HG2%)
3.600 1.600 1.600 peak 434 weight 0.10000E+01 volume 0.28913E-02 ppm1 0.815 ppm2 0.438 CV 1
ASSI { 435}
(( segid " " and resid 36 and name HB1 ))
(( segid " " and resid 25 and name HB1 ))
3.100 1.200 1.200 peak 435 weight 0.10000E+01 volume 0.19802E-02 ppm1 2.666 ppm2 2.375 CV 1
OR { 435}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 25 and name HB1 ))
OR { 435}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 25 and name HB2 ))
ASSI { 436}
(( segid " " and resid 36 and name HB1 ))
(( segid " " and resid 32 and name HA ))
3.400 1.400 1.400 peak 436 weight 0.10000E+01 volume 0.16818E-02 ppm1 2.687 ppm2 4.808 CV 1
OR { 436}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 32 and name HA ))
ASSI { 438}
(( segid " " and resid 36 and name HB1 ))
( segid " " and resid 32 and name HG2%)
3.900 1.900 1.900 peak 438 weight 0.10000E+01 volume 0.22699E-02 ppm1 2.677 ppm2 0.782 CV 1
OR { 438}
(( segid " " and resid 36 and name HB2 ))
( segid " " and resid 32 and name HG2%)
ASSI { 439}
( segid " " and resid 38 and name HG2%)
( segid " " and resid 7 and name HD% )
3.400 1.400 1.400 peak 439 weight 0.10000E+01 volume 0.15977E-02 ppm1 1.224 ppm2 7.455 CV 1
ASSI { 440}
( segid " " and resid 38 and name HD1%)
(( segid " " and resid 7 and name HB2 ))
2.800 1.000 1.000 peak 440 weight 0.10000E+01 volume 0.44075E-02 ppm1 0.793 ppm2 3.495 CV 1
OR { 440}
( segid " " and resid 38 and name HD1%)
(( segid " " and resid 7 and name HB1 ))
ASSI { 441}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 7 and name HB1 ))
2.900 1.100 1.100 peak 441 weight 0.10000E+01 volume 0.36036E-02 ppm1 1.224 ppm2 2.870 CV 1
OR { 441}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 7 and name HB2 ))
ASSI { 442}
( segid " " and resid 38 and name HD1%)
( segid " " and resid 50 and name HG2%)
2.600 0.800 0.800 peak 442 weight 0.10000E+01 volume 0.62164E-02 ppm1 0.793 ppm2 1.041 CV 1
ASSI { 444}
(( segid " " and resid 38 and name HB ))
( segid " " and resid 50 and name HG2%)
2.700 0.900 0.900 peak 444 weight 0.10000E+01 volume 0.24845E-02 ppm1 1.934 ppm2 0.998 CV 1
ASSI { 446}
( segid " " and resid 38 and name HG2%)
( segid " " and resid 61 and name HD2%)
2.900 1.100 1.100 peak 446 weight 0.10000E+01 volume 0.19636E-02 ppm1 1.213 ppm2 -0.337 CV 1
ASSI { 450}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 78 and name HB ))
4.000 2.100 2.000 peak 450 weight 0.10000E+01 volume 0.23183E-02 ppm1 1.224 ppm2 1.342 CV 1
ASSI { 453}
( segid " " and resid 38 and name HG2%)
( segid " " and resid 78 and name HD1%)
3.000 1.200 1.200 peak 453 weight 0.10000E+01 volume 0.33318E-02 ppm1 1.224 ppm2 0.546 CV 1
ASSI { 457}
( segid " " and resid 41 and name HG1%)
(( segid " " and resid 19 and name HA ))
3.800 1.800 1.800 peak 457 weight 0.10000E+01 volume 0.16305E-02 ppm1 0.686 ppm2 4.679 CV 1
ASSI { 461}
( segid " " and resid 41 and name HG1%)
( segid " " and resid 48 and name HG2%)
2.700 0.900 0.900 peak 461 weight 0.10000E+01 volume 0.88347E-02 ppm1 0.686 ppm2 0.782 CV 1
ASSI { 467}
(( segid " " and resid 42 and name HB1 ))
(( segid " " and resid 47 and name HA ))
3.800 1.800 1.800 peak 467 weight 0.10000E+01 volume 0.15267E-02 ppm1 1.783 ppm2 5.195 CV 1
OR { 467}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 47 and name HA ))
ASSI { 474}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 40 and name HA ))
3.200 1.300 1.300 peak 474 weight 0.10000E+01 volume 0.33672E-02 ppm1 1.159 ppm2 5.238 CV 1
ASSI { 475}
( segid " " and resid 50 and name HG2%)
( segid " " and resid 7 and name HE% )
3.800 1.800 1.800 peak 475 weight 0.10000E+01 volume 0.17887E-02 ppm1 1.008 ppm2 7.326 CV 1
ASSI { 478}
(( segid " " and resid 50 and name HB ))
( segid " " and resid 38 and name HD1%)
3.800 1.800 1.800 peak 478 weight 0.10000E+01 volume 0.18423E-02 ppm1 2.354 ppm2 0.782 CV 1
ASSI { 482}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 37 and name HB1 ))
3.000 1.100 1.100 peak 482 weight 0.10000E+01 volume 0.40232E-02 ppm1 1.062 ppm2 3.344 CV 1
OR { 482}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 37 and name HB2 ))
ASSI { 484}
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 33 and name HA ))
3.300 1.300 1.300 peak 484 weight 0.10000E+01 volume 0.25480E-02 ppm1 2.580 ppm2 5.260 CV 1
ASSI { 486}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 26 and name HB ))
2.500 0.800 0.800 peak 486 weight 0.10000E+01 volume 0.16087E-02 ppm1 0.686 ppm2 2.268 CV 1
ASSI { 487}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 26 and name HB ))
3.500 1.600 1.600 peak 487 weight 0.10000E+01 volume 0.20775E-02 ppm1 0.567 ppm2 2.268 CV 1
ASSI { 489}
( segid " " and resid 58 and name HD1%)
( segid " " and resid 26 and name HG1%)
2.000 0.500 0.500 peak 489 weight 0.10000E+01 volume 0.10321E-01 ppm1 0.686 ppm2 1.041 CV 1
ASSI { 490}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 27 and name HA ))
3.500 1.500 1.500 peak 490 weight 0.10000E+01 volume 0.18749E-02 ppm1 0.567 ppm2 4.377 CV 1
ASSI { 492}
(( segid " " and resid 58 and name HB ))
(( segid " " and resid 28 and name HA ))
2.900 1.100 1.100 peak 492 weight 0.10000E+01 volume 0.22769E-02 ppm1 2.418 ppm2 3.387 CV 1
ASSI { 495}
( segid " " and resid 58 and name HG2%)
( segid " " and resid 32 and name HG2%)
4.100 2.100 1.900 peak 495 weight 0.10000E+01 volume 0.18674E-02 ppm1 0.578 ppm2 0.804 CV 1
ASSI { 496}
( segid " " and resid 58 and name HD1%)
( segid " " and resid 32 and name HG2%)
2.000 0.500 0.500 peak 496 weight 0.10000E+01 volume 0.10338E-01 ppm1 0.686 ppm2 0.782 CV 1
ASSI { 498}
( segid " " and resid 58 and name HG2%)
( segid " " and resid 38 and name HG2%)
2.400 0.700 0.700 peak 498 weight 0.10000E+01 volume 0.85822E-02 ppm1 0.578 ppm2 1.235 CV 1
ASSI { 499}
( segid " " and resid 58 and name HD1%)
( segid " " and resid 38 and name HG2%)
2.300 0.700 0.700 peak 499 weight 0.10000E+01 volume 0.93677E-02 ppm1 0.686 ppm2 1.235 CV 1
ASSI { 500}
(( segid " " and resid 58 and name HB ))
( segid " " and resid 38 and name HG2%)
3.800 1.800 1.800 peak 500 weight 0.10000E+01 volume 0.24413E-02 ppm1 2.408 ppm2 1.235 CV 1
ASSI { 501}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 61 and name HA ))
3.700 1.700 1.700 peak 501 weight 0.10000E+01 volume 0.20566E-02 ppm1 0.567 ppm2 4.528 CV 1
ASSI { 502}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 61 and name HG ))
2.000 0.500 0.500 peak 502 weight 0.10000E+01 volume 0.15385E-01 ppm1 0.567 ppm2 0.653 CV 1
ASSI { 503}
( segid " " and resid 58 and name HG2%)
( segid " " and resid 61 and name HD2%)
2.200 0.600 0.600 peak 503 weight 0.10000E+01 volume 0.78138E-02 ppm1 0.567 ppm2 -0.337 CV 1
ASSI { 504}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 78 and name HA ))
3.500 1.500 1.500 peak 504 weight 0.10000E+01 volume 0.25047E-02 ppm1 0.578 ppm2 4.786 CV 1
ASSI { 505}
( segid " " and resid 58 and name HD1%)
( segid " " and resid 78 and name HG2%)
3.100 1.200 1.200 peak 505 weight 0.10000E+01 volume 0.57564E-02 ppm1 0.686 ppm2 0.481 CV 1
ASSI { 507}
(( segid " " and resid 58 and name HB ))
( segid " " and resid 78 and name HG2%)
4.000 2.000 2.000 peak 507 weight 0.10000E+01 volume 0.15917E-02 ppm1 2.418 ppm2 0.438 CV 1
ASSI { 512}
(( segid " " and resid 60 and name HB1 ))
(( segid " " and resid 60 and name HG1 ))
2.700 0.900 0.900 peak 512 weight 0.10000E+01 volume 0.29753E-02 ppm1 1.278 ppm2 0.912 CV 1
OR { 512}
(( segid " " and resid 60 and name HB1 ))
(( segid " " and resid 60 and name HG2 ))
ASSI { 514}
(( segid " " and resid 60 and name HB1 ))
(( segid " " and resid 77 and name HB2 ))
4.700 2.800 1.300 peak 514 weight 0.10000E+01 volume 0.16147E-02 ppm1 1.278 ppm2 2.246 CV 1
ASSI { 516}
(( segid " " and resid 61 and name HG ))
( segid " " and resid 38 and name HG2%)
3.200 1.300 1.300 peak 516 weight 0.10000E+01 volume 0.38506E-02 ppm1 0.664 ppm2 1.256 CV 1
ASSI { 523}
( segid " " and resid 68 and name HG2%)
(( segid " " and resid 18 and name HA ))
3.400 1.400 1.400 peak 523 weight 0.10000E+01 volume 0.41364E-02 ppm1 0.330 ppm2 4.958 CV 1
ASSI { 525}
( segid " " and resid 68 and name HG2%)
(( segid " " and resid 18 and name HB2 ))
2.400 0.700 0.700 peak 525 weight 0.10000E+01 volume 0.57726E-02 ppm1 0.330 ppm2 1.816 CV 1
OR { 525}
( segid " " and resid 68 and name HG2%)
(( segid " " and resid 18 and name HB1 ))
ASSI { 526}
( segid " " and resid 68 and name HD1%)
(( segid " " and resid 19 and name HA ))
3.100 1.200 1.200 peak 526 weight 0.10000E+01 volume 0.18073E-02 ppm1 0.686 ppm2 4.679 CV 1
ASSI { 527}
( segid " " and resid 68 and name HG2%)
(( segid " " and resid 20 and name HA ))
2.900 1.100 1.100 peak 527 weight 0.10000E+01 volume 0.31495E-02 ppm1 0.330 ppm2 4.829 CV 1
ASSI { 528}
( segid " " and resid 68 and name HD1%)
(( segid " " and resid 20 and name HA ))
2.600 0.900 0.900 peak 528 weight 0.10000E+01 volume 0.57709E-02 ppm1 0.675 ppm2 4.808 CV 1
ASSI { 531}
(( segid " " and resid 74 and name HG1 ))
(( segid " " and resid 6 and name HG1 ))
3.300 1.300 1.300 peak 531 weight 0.10000E+01 volume 0.22723E-02 ppm1 1.730 ppm2 2.418 CV 1
OR { 531}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 6 and name HG1 ))
OR { 531}
(( segid " " and resid 74 and name HG1 ))
(( segid " " and resid 6 and name HG2 ))
ASSI { 532}
(( segid " " and resid 74 and name HB1 ))
(( segid " " and resid 6 and name HB1 ))
2.600 0.900 0.900 peak 532 weight 0.10000E+01 volume 0.30751E-02 ppm1 0.309 ppm2 1.407 CV 1
OR { 532}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 6 and name HB1 ))
ASSI { 533}
(( segid " " and resid 74 and name HG1 ))
(( segid " " and resid 8 and name HE2 ))
2.600 0.800 0.800 peak 533 weight 0.10000E+01 volume 0.50612E-02 ppm1 1.730 ppm2 2.892 CV 1
OR { 533}
(( segid " " and resid 74 and name HG1 ))
(( segid " " and resid 8 and name HE1 ))
OR { 533}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 8 and name HE2 ))
ASSI { 539}
( segid " " and resid 76 and name HG1%)
( segid " " and resid 7 and name HD% )
3.000 1.100 1.100 peak 539 weight 0.10000E+01 volume 0.17124E-02 ppm1 1.073 ppm2 7.455 CV 1
ASSI { 540}
( segid " " and resid 76 and name HG1%)
(( segid " " and resid 7 and name HB1 ))
2.300 0.700 0.700 peak 540 weight 0.10000E+01 volume 0.49243E-02 ppm1 1.073 ppm2 3.473 CV 1
OR { 540}
( segid " " and resid 76 and name HG1%)
(( segid " " and resid 7 and name HB2 ))
ASSI { 544}
( segid " " and resid 76 and name HG1%)
( segid " " and resid 38 and name HG2%)
2.100 0.600 0.600 peak 544 weight 0.10000E+01 volume 0.10269E-01 ppm1 1.073 ppm2 1.213 CV 1
ASSI { 545}
( segid " " and resid 76 and name HG1%)
( segid " " and resid 38 and name HD1%)
2.500 0.800 0.800 peak 545 weight 0.10000E+01 volume 0.93474E-02 ppm1 1.073 ppm2 0.782 CV 1
ASSI { 546}
(( segid " " and resid 76 and name HB ))
(( segid " " and resid 61 and name HG ))
3.400 1.400 1.400 peak 546 weight 0.10000E+01 volume 0.19225E-02 ppm1 2.461 ppm2 0.675 CV 1
ASSI { 553}
(( segid " " and resid 78 and name HB ))
( segid " " and resid 5 and name HG2%)
2.500 0.800 0.800 peak 553 weight 0.10000E+01 volume 0.61544E-02 ppm1 1.331 ppm2 0.417 CV 1
ASSI { 554}
( segid " " and resid 78 and name HD1%)
(( segid " " and resid 7 and name HB1 ))
3.100 1.200 1.200 peak 554 weight 0.10000E+01 volume 0.20178E-02 ppm1 0.546 ppm2 3.473 CV 1
OR { 554}
( segid " " and resid 78 and name HD1%)
(( segid " " and resid 7 and name HB2 ))
ASSI { 557}
( segid " " and resid 78 and name HG2%)
( segid " " and resid 38 and name HD1%)
2.700 0.900 0.900 peak 557 weight 0.10000E+01 volume 0.23705E-02 ppm1 0.460 ppm2 0.804 CV 1
ASSI { 558}
( segid " " and resid 78 and name HD1%)
( segid " " and resid 38 and name HD1%)
2.500 0.800 0.800 peak 558 weight 0.10000E+01 volume 0.58680E-02 ppm1 0.535 ppm2 0.782 CV 1
ASSI { 559}
( segid " " and resid 78 and name HG2%)
(( segid " " and resid 56 and name HA1 ))
2.500 0.800 0.800 peak 559 weight 0.10000E+01 volume 0.47952E-02 ppm1 0.449 ppm2 3.990 CV 1
OR { 559}
( segid " " and resid 78 and name HG2%)
(( segid " " and resid 56 and name HA2 ))
ASSI { 561}
(( segid " " and resid 79 and name HG2 ))
( segid " " and resid 5 and name HG2%)
3.900 1.900 1.900 peak 561 weight 0.10000E+01 volume 0.18060E-02 ppm1 1.794 ppm2 0.417 CV 1
OR { 561}
(( segid " " and resid 79 and name HG1 ))
( segid " " and resid 5 and name HG2%)
ASSI { 563}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 56 and name HA1 ))
3.000 1.100 1.100 peak 563 weight 0.10000E+01 volume 0.19214E-02 ppm1 0.987 ppm2 4.011 CV 1
OR { 563}
( segid " " and resid 80 and name HG2%)
(( segid " " and resid 56 and name HA2 ))
ASSI { 22}
(( segid " " and resid 74 and name HD1 ))
(( segid " " and resid 74 and name HA ))
2.700 0.900 0.900 peak 22 weight 0.10000E+01 volume 0.21174E-02 ppm1 3.458 ppm2 3.764 CV 1
OR { 22}
(( segid " " and resid 74 and name HD2 ))
(( segid " " and resid 74 and name HA ))
ASSI { 37}
(( segid " " and resid 54 and name HB1 ))
(( segid " " and resid 55 and name HB2 ))
4.100 2.100 1.900 peak 37 weight 0.10000E+01 volume 0.55996E-03 ppm1 2.905 ppm2 2.616 CV 1
ASSI { 51}
(( segid " " and resid 27 and name HE2 ))
(( segid " " and resid 64 and name HD21))
3.300 1.400 1.400 peak 51 weight 0.10000E+01 volume 0.75591E-03 ppm1 2.941 ppm2 6.952 CV 1
OR { 51}
(( segid " " and resid 27 and name HE1 ))
(( segid " " and resid 64 and name HD21))
ASSI { 66}
(( segid " " and resid 86 and name HB2 ))
(( segid " " and resid 87 and name HG2 ))
3.400 1.400 1.400 peak 66 weight 0.10000E+01 volume 0.70006E-03 ppm1 1.564 ppm2 2.171 CV 1
OR { 66}
(( segid " " and resid 86 and name HB1 ))
(( segid " " and resid 87 and name HG2 ))
OR { 66}
(( segid " " and resid 86 and name HB2 ))
(( segid " " and resid 87 and name HG1 ))
OR { 66}
(( segid " " and resid 86 and name HB1 ))
(( segid " " and resid 87 and name HG1 ))
ASSI { 81}
(( segid " " and resid 8 and name HE2 ))
(( segid " " and resid 74 and name HD1 ))
2.900 1.000 1.000 peak 81 weight 0.10000E+01 volume 0.10120E-02 ppm1 2.941 ppm2 3.483 CV 1
OR { 81}
(( segid " " and resid 8 and name HE2 ))
(( segid " " and resid 74 and name HD2 ))
OR { 81}
(( segid " " and resid 8 and name HE1 ))
(( segid " " and resid 74 and name HD2 ))
ASSI { 106}
(( segid " " and resid 65 and name HB1 ))
(( segid " " and resid 65 and name HB2 ))
1.700 0.300 0.500 peak 106 weight 0.10000E+01 volume 0.78529E-02 ppm1 1.423 ppm2 1.702 CV 1
ASSI { 110}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 45 and name HE2 ))
3.200 1.300 1.300 peak 110 weight 0.10000E+01 volume 0.68646E-03 ppm1 2.541 ppm2 2.967 CV 1
OR { 110}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 45 and name HE1 ))
OR { 110}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 45 and name HE2 ))
OR { 110}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 45 and name HE1 ))
ASSI { 124}
(( segid " " and resid 64 and name HB2 ))
(( segid " " and resid 64 and name HB1 ))
1.400 0.200 0.800 peak 124 weight 0.10000E+01 volume 0.24270E-01 ppm1 2.929 ppm2 2.780 CV 1
ASSI { 125}
(( segid " " and resid 64 and name HB2 ))
( segid " " and resid 65 and name HD1%)
4.300 2.300 1.700 peak 125 weight 0.10000E+01 volume 0.65622E-03 ppm1 2.952 ppm2 0.835 CV 1
ASSI { 143}
(( segid " " and resid 30 and name HB1 ))
(( segid " " and resid 26 and name HB ))
3.100 1.200 1.200 peak 143 weight 0.10000E+01 volume 0.62088E-03 ppm1 2.693 ppm2 2.311 CV 1
OR { 143}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 26 and name HB ))
ASSI { 145}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HA ))
2.500 0.800 0.800 peak 145 weight 0.10000E+01 volume 0.29124E-02 ppm1 2.693 ppm2 4.678 CV 1
OR { 145}
(( segid " " and resid 30 and name HB1 ))
(( segid " " and resid 30 and name HA ))
ASSI { 150}
(( segid " " and resid 64 and name HB1 ))
( segid " " and resid 65 and name HD1%)
4.700 2.800 1.300 peak 150 weight 0.10000E+01 volume 0.62047E-03 ppm1 2.776 ppm2 0.858 CV 1
ASSI { 153}
(( segid " " and resid 64 and name HB1 ))
(( segid " " and resid 24 and name HB1 ))
3.800 1.800 1.800 peak 153 weight 0.10000E+01 volume 0.82031E-03 ppm1 2.776 ppm2 3.085 CV 1
ASSI { 154}
(( segid " " and resid 64 and name HB1 ))
(( segid " " and resid 65 and name HB2 ))
3.400 1.500 1.500 peak 154 weight 0.10000E+01 volume 0.10621E-02 ppm1 2.788 ppm2 1.678 CV 1
ASSI { 156}
(( segid " " and resid 64 and name HB2 ))
(( segid " " and resid 21 and name HB ))
3.800 1.800 1.800 peak 156 weight 0.10000E+01 volume 0.67190E-03 ppm1 2.941 ppm2 1.983 CV 1
ASSI { 163}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 11 and name HA ))
2.700 0.900 0.900 peak 163 weight 0.10000E+01 volume 0.24326E-02 ppm1 2.529 ppm2 4.303 CV 1
OR { 163}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HA ))
ASSI { 175}
(( segid " " and resid 70 and name HB1 ))
(( segid " " and resid 70 and name HA ))
2.900 1.100 1.100 peak 175 weight 0.10000E+01 volume 0.11762E-02 ppm1 2.435 ppm2 4.936 CV 1
ASSI { 177}
(( segid " " and resid 70 and name HB1 ))
(( segid " " and resid 70 and name HB2 ))
1.900 0.400 0.400 peak 177 weight 0.10000E+01 volume 0.49027E-02 ppm1 2.446 ppm2 3.108 CV 1
ASSI { 181}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 44 and name HA ))
2.500 0.800 0.800 peak 181 weight 0.10000E+01 volume 0.38833E-02 ppm1 2.658 ppm2 4.303 CV 1
OR { 181}
(( segid " " and resid 44 and name HB1 ))
(( segid " " and resid 44 and name HA ))
ASSI { 187}
(( segid " " and resid 70 and name HB2 ))
(( segid " " and resid 70 and name HA ))
2.700 0.900 0.900 peak 187 weight 0.10000E+01 volume 0.16673E-02 ppm1 3.129 ppm2 4.936 CV 1
ASSI { 199}
(( segid " " and resid 38 and name HB ))
(( segid " " and resid 38 and name HA ))
3.000 1.100 1.100 peak 199 weight 0.10000E+01 volume 0.60629E-03 ppm1 1.929 ppm2 4.678 CV 1
ASSI { 200}
(( segid " " and resid 38 and name HB ))
( segid " " and resid 38 and name HD1%)
2.900 1.000 1.000 peak 200 weight 0.10000E+01 volume 0.10032E-02 ppm1 1.941 ppm2 0.788 CV 1
ASSI { 205}
(( segid " " and resid 66 and name HB1 ))
(( segid " " and resid 66 and name HA ))
2.700 0.900 0.900 peak 205 weight 0.10000E+01 volume 0.22664E-02 ppm1 2.811 ppm2 4.116 CV 1
OR { 205}
(( segid " " and resid 66 and name HB2 ))
(( segid " " and resid 66 and name HA ))
ASSI { 207}
(( segid " " and resid 66 and name HB1 ))
(( segid " " and resid 67 and name HB2 ))
3.600 1.600 1.600 peak 207 weight 0.10000E+01 volume 0.74988E-03 ppm1 2.823 ppm2 3.131 CV 1
OR { 207}
(( segid " " and resid 66 and name HB2 ))
(( segid " " and resid 67 and name HB2 ))
ASSI { 221}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HA ))
2.800 0.900 0.900 peak 221 weight 0.10000E+01 volume 0.10775E-02 ppm1 2.846 ppm2 5.030 CV 1
OR { 221}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 7 and name HA ))
ASSI { 249}
(( segid " " and resid 25 and name HB1 ))
(( segid " " and resid 25 and name HA ))
3.000 1.100 1.100 peak 249 weight 0.10000E+01 volume 0.11668E-02 ppm1 2.399 ppm2 4.819 CV 1
OR { 249}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HA ))
ASSI { 269}
(( segid " " and resid 68 and name HB ))
(( segid " " and resid 18 and name HB2 ))
3.800 1.800 1.800 peak 269 weight 0.10000E+01 volume 0.75214E-03 ppm1 1.588 ppm2 1.842 CV 1
OR { 269}
(( segid " " and resid 68 and name HB ))
(( segid " " and resid 18 and name HB1 ))
ASSI { 273}
(( segid " " and resid 62 and name HB1 ))
(( segid " " and resid 62 and name HA ))
3.100 1.200 1.200 peak 273 weight 0.10000E+01 volume 0.95366E-03 ppm1 2.399 ppm2 3.811 CV 1
ASSI { 275}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HB1 ))
2.100 0.500 0.500 peak 275 weight 0.10000E+01 volume 0.28262E-02 ppm1 2.670 ppm2 2.381 CV 1
ASSI { 277}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HA ))
3.000 1.100 1.100 peak 277 weight 0.10000E+01 volume 0.94264E-03 ppm1 2.670 ppm2 3.811 CV 1
ASSI { 319}
(( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 62 and name HB2 ))
3.900 1.900 1.900 peak 319 weight 0.10000E+01 volume 0.58472E-03 ppm1 1.670 ppm2 2.616 CV 1
ASSI { 324}
(( segid " " and resid 60 and name HB1 ))
(( segid " " and resid 60 and name HB2 ))
2.100 0.500 0.500 peak 324 weight 0.10000E+01 volume 0.21748E-02 ppm1 1.294 ppm2 1.702 CV 1
ASSI { 350}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 26 and name HB ))
4.300 2.300 1.700 peak 350 weight 0.10000E+01 volume 0.10485E-02 ppm1 2.141 ppm2 2.288 CV 1
ASSI { 354}
(( segid " " and resid 32 and name HB ))
( segid " " and resid 80 and name HG2%)
3.200 1.300 1.300 peak 354 weight 0.10000E+01 volume 0.94990E-03 ppm1 2.199 ppm2 1.022 CV 1
ASSI { 355}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 32 and name HA ))
2.500 0.800 0.800 peak 355 weight 0.10000E+01 volume 0.30797E-02 ppm1 2.199 ppm2 4.842 CV 1
ASSI { 364}
(( segid " " and resid 57 and name HB ))
(( segid " " and resid 79 and name HB2 ))
2.300 0.600 0.600 peak 364 weight 0.10000E+01 volume 0.46052E-02 ppm1 1.811 ppm2 1.678 CV 1
OR { 364}
(( segid " " and resid 57 and name HB ))
(( segid " " and resid 79 and name HB1 ))
ASSI { 368}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HB1 ))
2.300 0.600 0.600 peak 368 weight 0.10000E+01 volume 0.44196E-02 ppm1 1.941 ppm2 1.819 CV 1
OR { 368}
(( segid " " and resid 18 and name HG1 ))
(( segid " " and resid 18 and name HB2 ))
OR { 368}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HB2 ))
OR { 368}
(( segid " " and resid 18 and name HG1 ))
(( segid " " and resid 18 and name HB1 ))
ASSI { 371}
(( segid " " and resid 18 and name HG2 ))
( segid " " and resid 9 and name HD2%)
3.600 1.600 1.600 peak 371 weight 0.10000E+01 volume 0.57595E-03 ppm1 1.976 ppm2 0.483 CV 1
OR { 371}
(( segid " " and resid 18 and name HG1 ))
( segid " " and resid 9 and name HD2%)
ASSI { 374}
(( segid " " and resid 87 and name HG2 ))
( segid " " and resid 86 and name HD1%)
2.500 0.800 0.800 peak 374 weight 0.10000E+01 volume 0.25557E-02 ppm1 2.188 ppm2 0.811 CV 1
OR { 374}
(( segid " " and resid 87 and name HG1 ))
( segid " " and resid 86 and name HD1%)
ASSI { 378}
(( segid " " and resid 87 and name HG2 ))
(( segid " " and resid 87 and name HA ))
2.800 1.000 1.000 peak 378 weight 0.10000E+01 volume 0.28689E-02 ppm1 2.199 ppm2 4.069 CV 1
OR { 378}
(( segid " " and resid 87 and name HG1 ))
(( segid " " and resid 87 and name HA ))
ASSI { 381}
(( segid " " and resid 81 and name HG2 ))
(( segid " " and resid 81 and name HB1 ))
2.600 0.900 0.900 peak 381 weight 0.10000E+01 volume 0.21010E-02 ppm1 2.247 ppm2 1.866 CV 1
OR { 381}
(( segid " " and resid 81 and name HG1 ))
(( segid " " and resid 81 and name HB2 ))
OR { 381}
(( segid " " and resid 81 and name HG2 ))
(( segid " " and resid 81 and name HB2 ))
OR { 381}
(( segid " " and resid 81 and name HG1 ))
(( segid " " and resid 81 and name HB1 ))
ASSI { 383}
(( segid " " and resid 81 and name HG2 ))
(( segid " " and resid 81 and name HA ))
3.100 1.200 1.200 peak 383 weight 0.10000E+01 volume 0.83626E-03 ppm1 2.247 ppm2 4.444 CV 1
OR { 383}
(( segid " " and resid 81 and name HG1 ))
(( segid " " and resid 81 and name HA ))
ASSI { 393}
(( segid " " and resid 57 and name HB ))
(( segid " " and resid 57 and name HA ))
2.900 1.000 1.000 peak 393 weight 0.10000E+01 volume 0.98984E-03 ppm1 1.788 ppm2 4.796 CV 1
ASSI { 415}
(( segid " " and resid 48 and name HB ))
(( segid " " and resid 50 and name HG12))
3.200 1.300 1.300 peak 415 weight 0.10000E+01 volume 0.70025E-03 ppm1 1.800 ppm2 1.561 CV 1
OR { 415}
(( segid " " and resid 48 and name HB ))
(( segid " " and resid 50 and name HG11))
ASSI { 418}
(( segid " " and resid 6 and name HG2 ))
( segid " " and resid 78 and name HD1%)
3.000 1.100 1.100 peak 418 weight 0.10000E+01 volume 0.29333E-02 ppm1 2.423 ppm2 0.577 CV 1
OR { 418}
(( segid " " and resid 6 and name HG1 ))
( segid " " and resid 78 and name HD1%)
ASSI { 419}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 78 and name HG11))
3.500 1.500 1.500 peak 419 weight 0.10000E+01 volume 0.11863E-02 ppm1 2.423 ppm2 0.694 CV 1
OR { 419}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 78 and name HG11))
OR { 419}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 78 and name HG12))
OR { 419}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 78 and name HG12))
ASSI { 440}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HB2 ))
2.600 0.800 0.800 peak 440 weight 0.10000E+01 volume 0.17776E-02 ppm1 2.411 ppm2 1.444 CV 1
OR { 440}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HB2 ))
ASSI { 442}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 8 and name HD2 ))
3.400 1.500 1.500 peak 442 weight 0.10000E+01 volume 0.56556E-03 ppm1 1.129 ppm2 0.764 CV 1
OR { 442}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HD1 ))
OR { 442}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 8 and name HD1 ))
OR { 442}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HD2 ))
ASSI { 444}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HA ))
2.800 1.000 1.000 peak 444 weight 0.10000E+01 volume 0.12925E-02 ppm1 1.658 ppm2 4.350 CV 1
OR { 444}
(( segid " " and resid 45 and name HB1 ))
(( segid " " and resid 45 and name HA ))
ASSI { 455}
(( segid " " and resid 8 and name HB2 ))
( segid " " and resid 75 and name HD2%)
4.000 2.000 2.000 peak 455 weight 0.10000E+01 volume 0.59064E-03 ppm1 1.070 ppm2 0.928 CV 1
OR { 455}
(( segid " " and resid 8 and name HB1 ))
( segid " " and resid 75 and name HD2%)
OR { 455}
(( segid " " and resid 8 and name HB2 ))
( segid " " and resid 75 and name HD1%)
ASSI { 456}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 53 and name HB2 ))
3.800 1.800 1.800 peak 456 weight 0.10000E+01 volume 0.62374E-03 ppm1 1.070 ppm2 1.210 CV 1
OR { 456}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 53 and name HB1 ))
OR { 456}
(( segid " " and resid 34 and name HG1 ))
(( segid " " and resid 53 and name HB2 ))
OR { 456}
(( segid " " and resid 34 and name HG1 ))
(( segid " " and resid 53 and name HB1 ))
ASSI { 458}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 74 and name HG1 ))
2.500 0.800 0.800 peak 458 weight 0.10000E+01 volume 0.31347E-02 ppm1 1.070 ppm2 1.772 CV 1
OR { 458}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 74 and name HG1 ))
OR { 458}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 74 and name HG2 ))
ASSI { 460}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 75 and name HB1 ))
4.000 2.000 2.000 peak 460 weight 0.10000E+01 volume 0.57999E-03 ppm1 1.082 ppm2 1.655 CV 1
OR { 460}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 75 and name HB1 ))
OR { 460}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 75 and name HB2 ))
ASSI { 469}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HB1 ))
1.800 0.400 0.400 peak 469 weight 0.10000E+01 volume 0.55107E-02 ppm1 1.364 ppm2 1.585 CV 1
ASSI { 470}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HA ))
2.700 0.900 0.900 peak 470 weight 0.10000E+01 volume 0.14915E-02 ppm1 1.364 ppm2 4.374 CV 1
ASSI { 472}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HB1 ))
1.800 0.400 0.400 peak 472 weight 0.10000E+01 volume 0.30009E-02 ppm1 1.458 ppm2 1.889 CV 1
ASSI { 473}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 60 and name HD2 ))
3.400 1.500 1.500 peak 473 weight 0.10000E+01 volume 0.23438E-02 ppm1 1.470 ppm2 1.116 CV 1
OR { 473}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 60 and name HD1 ))
ASSI { 476}
(( segid " " and resid 22 and name HB1 ))
(( segid " " and resid 22 and name HA ))
3.000 1.100 1.100 peak 476 weight 0.10000E+01 volume 0.10997E-02 ppm1 1.600 ppm2 4.374 CV 1
ASSI { 482}
(( segid " " and resid 59 and name HB1 ))
(( segid " " and resid 59 and name HD1 ))
2.000 0.500 0.500 peak 482 weight 0.10000E+01 volume 0.85337E-02 ppm1 1.870 ppm2 1.655 CV 1
OR { 482}
(( segid " " and resid 59 and name HB1 ))
(( segid " " and resid 59 and name HD2 ))
ASSI { 502}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 23 and name HA ))
3.200 1.300 1.300 peak 502 weight 0.10000E+01 volume 0.17080E-02 ppm1 1.764 ppm2 4.233 CV 1
ASSI { 513}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 40 and name HA ))
3.000 1.100 1.100 peak 513 weight 0.10000E+01 volume 0.82985E-03 ppm1 1.741 ppm2 5.241 CV 1
ASSI { 514}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HG1 ))
2.400 0.700 0.700 peak 514 weight 0.10000E+01 volume 0.30289E-02 ppm1 1.776 ppm2 1.631 CV 1
OR { 514}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HG2 ))
OR { 514}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HG2 ))
OR { 514}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 515}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 18 and name HA ))
2.700 0.900 0.900 peak 515 weight 0.10000E+01 volume 0.12121E-02 ppm1 1.847 ppm2 5.006 CV 1
OR { 515}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HA ))
ASSI { 520}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HA ))
2.900 1.000 1.000 peak 520 weight 0.10000E+01 volume 0.11990E-02 ppm1 1.800 ppm2 4.491 CV 1
OR { 520}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HA ))
ASSI { 524}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 77 and name HB1 ))
2.800 1.000 1.000 peak 524 weight 0.10000E+01 volume 0.13804E-02 ppm1 1.917 ppm2 2.288 CV 1
ASSI { 536}
(( segid " " and resid 71 and name HB ))
(( segid " " and resid 72 and name HA1 ))
3.700 1.700 1.700 peak 536 weight 0.10000E+01 volume 0.69133E-03 ppm1 1.917 ppm2 3.717 CV 1
OR { 536}
(( segid " " and resid 71 and name HB ))
(( segid " " and resid 72 and name HA2 ))
ASSI { 542}
(( segid " " and resid 81 and name HB1 ))
( segid " " and resid 83 and name HD2%)
2.500 0.800 0.800 peak 542 weight 0.10000E+01 volume 0.32836E-02 ppm1 1.905 ppm2 0.671 CV 1
OR { 542}
(( segid " " and resid 81 and name HB2 ))
( segid " " and resid 83 and name HD2%)
ASSI { 555}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HB1 ))
2.300 0.700 0.700 peak 555 weight 0.10000E+01 volume 0.14132E-02 ppm1 3.670 ppm2 3.108 CV 1
ASSI { 558}
(( segid " " and resid 21 and name HB ))
(( segid " " and resid 21 and name HA ))
2.700 0.900 0.900 peak 558 weight 0.10000E+01 volume 0.88409E-03 ppm1 1.976 ppm2 3.460 CV 1
ASSI { 565}
(( segid " " and resid 74 and name HB1 ))
(( segid " " and resid 6 and name HB2 ))
2.800 1.000 1.000 peak 565 weight 0.10000E+01 volume 0.84227E-03 ppm1 0.306 ppm2 1.421 CV 1
OR { 565}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 6 and name HB2 ))
ASSI { 568}
(( segid " " and resid 74 and name HB1 ))
(( segid " " and resid 74 and name HA ))
2.700 0.900 0.900 peak 568 weight 0.10000E+01 volume 0.90965E-03 ppm1 0.317 ppm2 3.741 CV 1
OR { 568}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 74 and name HA ))
ASSI { 570}
(( segid " " and resid 53 and name HB1 ))
( segid " " and resid 83 and name HD1%)
2.800 1.000 1.000 peak 570 weight 0.10000E+01 volume 0.21449E-02 ppm1 1.176 ppm2 0.296 CV 1
OR { 570}
(( segid " " and resid 53 and name HB2 ))
( segid " " and resid 83 and name HD1%)
ASSI { 582}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HD1 ))
3.300 1.300 1.300 peak 582 weight 0.10000E+01 volume 0.64748E-03 ppm1 1.200 ppm2 3.085 CV 1
OR { 582}
(( segid " " and resid 53 and name HB1 ))
(( segid " " and resid 53 and name HD1 ))
OR { 582}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HD2 ))
OR { 582}
(( segid " " and resid 53 and name HB1 ))
(( segid " " and resid 53 and name HD2 ))
ASSI { 583}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HA ))
2.800 1.000 1.000 peak 583 weight 0.10000E+01 volume 0.11946E-02 ppm1 1.200 ppm2 4.210 CV 1
OR { 583}
(( segid " " and resid 53 and name HB1 ))
(( segid " " and resid 53 and name HA ))
ASSI { 588}
(( segid " " and resid 21 and name HB ))
(( segid " " and resid 65 and name HA ))
3.100 1.200 1.200 peak 588 weight 0.10000E+01 volume 0.71620E-03 ppm1 1.964 ppm2 3.741 CV 1
ASSI { 600}
(( segid " " and resid 87 and name HB2 ))
(( segid " " and resid 86 and name HA ))
3.700 1.700 1.700 peak 600 weight 0.10000E+01 volume 0.54500E-03 ppm1 1.882 ppm2 4.256 CV 1
OR { 600}
(( segid " " and resid 87 and name HB1 ))
(( segid " " and resid 86 and name HA ))
ASSI { 621}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HA ))
2.500 0.800 0.800 peak 621 weight 0.10000E+01 volume 0.23478E-02 ppm1 2.541 ppm2 4.889 CV 1
OR { 621}
(( segid " " and resid 39 and name HB1 ))
(( segid " " and resid 39 and name HA ))
ASSI { 663}
(( segid " " and resid 78 and name HG11))
(( segid " " and resid 78 and name HA ))
3.000 1.200 1.200 peak 663 weight 0.10000E+01 volume 0.63971E-03 ppm1 0.670 ppm2 4.819 CV 1
OR { 663}
(( segid " " and resid 78 and name HG12))
(( segid " " and resid 78 and name HA ))
ASSI { 697}
(( segid " " and resid 74 and name HG1 ))
(( segid " " and resid 6 and name HB1 ))
3.400 1.400 1.400 peak 697 weight 0.10000E+01 volume 0.63280E-03 ppm1 1.729 ppm2 2.100 CV 1
OR { 697}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 6 and name HB1 ))
ASSI { 698}
(( segid " " and resid 74 and name HG1 ))
(( segid " " and resid 8 and name HE2 ))
2.700 0.900 0.900 peak 698 weight 0.10000E+01 volume 0.16974E-02 ppm1 1.729 ppm2 2.897 CV 1
OR { 698}
(( segid " " and resid 74 and name HG1 ))
(( segid " " and resid 8 and name HE1 ))
OR { 698}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 8 and name HE2 ))
OR { 698}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 8 and name HE1 ))
ASSI { 700}
(( segid " " and resid 74 and name HG1 ))
(( segid " " and resid 73 and name HA ))
4.000 2.000 2.000 peak 700 weight 0.10000E+01 volume 0.11671E-02 ppm1 1.741 ppm2 4.889 CV 1
OR { 700}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 73 and name HA ))
ASSI { 707}
(( segid " " and resid 53 and name HG2 ))
( segid " " and resid 83 and name HD2%)
2.800 1.000 1.000 peak 707 weight 0.10000E+01 volume 0.15518E-02 ppm1 1.435 ppm2 0.694 CV 1
OR { 707}
(( segid " " and resid 53 and name HG1 ))
( segid " " and resid 83 and name HD2%)
ASSI { 711}
(( segid " " and resid 74 and name HG1 ))
(( segid " " and resid 6 and name HB2 ))
2.800 1.000 1.000 peak 711 weight 0.10000E+01 volume 0.36241E-02 ppm1 1.741 ppm2 1.421 CV 1
OR { 711}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 6 and name HB2 ))
ASSI { 712}
(( segid " " and resid 74 and name HG1 ))
(( segid " " and resid 74 and name HA ))
2.700 0.900 0.900 peak 712 weight 0.10000E+01 volume 0.18024E-02 ppm1 1.741 ppm2 3.764 CV 1
OR { 712}
(( segid " " and resid 74 and name HG2 ))
(( segid " " and resid 74 and name HA ))
ASSI { 715}
(( segid " " and resid 61 and name HG ))
(( segid " " and resid 60 and name HD1 ))
3.700 1.700 1.700 peak 715 weight 0.10000E+01 volume 0.69863E-03 ppm1 0.670 ppm2 1.116 CV 1
OR { 715}
(( segid " " and resid 61 and name HG ))
(( segid " " and resid 60 and name HD2 ))
ASSI { 721}
(( segid " " and resid 38 and name HG12))
( segid " " and resid 38 and name HD1%)
2.700 0.900 0.900 peak 721 weight 0.10000E+01 volume 0.77391E-03 ppm1 1.129 ppm2 0.811 CV 1
OR { 721}
(( segid " " and resid 38 and name HG11))
( segid " " and resid 38 and name HD1%)
ASSI { 722}
(( segid " " and resid 83 and name HG ))
(( segid " " and resid 83 and name HB1 ))
2.200 0.600 0.600 peak 722 weight 0.10000E+01 volume 0.59507E-02 ppm1 1.129 ppm2 1.421 CV 1
OR { 722}
(( segid " " and resid 83 and name HG ))
(( segid " " and resid 83 and name HB2 ))
ASSI { 725}
(( segid " " and resid 53 and name HG2 ))
( segid " " and resid 83 and name HD1%)
2.800 1.000 1.000 peak 725 weight 0.10000E+01 volume 0.16344E-02 ppm1 1.423 ppm2 0.319 CV 1
OR { 725}
(( segid " " and resid 53 and name HG1 ))
( segid " " and resid 83 and name HD1%)
ASSI { 730}
(( segid " " and resid 53 and name HG1 ))
( segid " " and resid 80 and name HG2%)
3.200 1.300 1.300 peak 730 weight 0.10000E+01 volume 0.67335E-03 ppm1 1.447 ppm2 1.022 CV 1
OR { 730}
(( segid " " and resid 53 and name HG2 ))
( segid " " and resid 80 and name HG2%)
ASSI { 744}
(( segid " " and resid 16 and name HG11))
(( segid " " and resid 16 and name HA ))
3.300 1.400 1.400 peak 744 weight 0.10000E+01 volume 0.99977E-03 ppm1 1.329 ppm2 4.046 CV 1
OR { 744}
(( segid " " and resid 16 and name HG12))
(( segid " " and resid 16 and name HA ))
ASSI { 751}
(( segid " " and resid 16 and name HG11))
(( segid " " and resid 16 and name HB ))
2.700 0.900 0.900 peak 751 weight 0.10000E+01 volume 0.15347E-02 ppm1 1.341 ppm2 1.772 CV 1
OR { 751}
(( segid " " and resid 16 and name HG12))
(( segid " " and resid 16 and name HB ))
ASSI { 752}
(( segid " " and resid 16 and name HG11))
(( segid " " and resid 18 and name HG1 ))
3.300 1.300 1.300 peak 752 weight 0.10000E+01 volume 0.96999E-03 ppm1 1.341 ppm2 1.960 CV 1
OR { 752}
(( segid " " and resid 16 and name HG12))
(( segid " " and resid 18 and name HG1 ))
OR { 752}
(( segid " " and resid 16 and name HG11))
(( segid " " and resid 18 and name HG2 ))
OR { 752}
(( segid " " and resid 16 and name HG12))
(( segid " " and resid 18 and name HG2 ))
ASSI { 754}
(( segid " " and resid 53 and name HG1 ))
(( segid " " and resid 53 and name HA ))
3.600 1.600 1.600 peak 754 weight 0.10000E+01 volume 0.62001E-03 ppm1 1.447 ppm2 4.233 CV 1
OR { 754}
(( segid " " and resid 53 and name HG2 ))
(( segid " " and resid 53 and name HA ))
ASSI { 758}
(( segid " " and resid 9 and name HG ))
(( segid " " and resid 9 and name HA ))
3.600 1.600 1.600 peak 758 weight 0.10000E+01 volume 0.56512E-03 ppm1 1.576 ppm2 4.116 CV 1
ASSI { 759}
(( segid " " and resid 9 and name HG ))
( segid " " and resid 12 and name HD1%)
3.400 1.500 1.500 peak 759 weight 0.10000E+01 volume 0.80265E-03 ppm1 1.588 ppm2 0.577 CV 1
ASSI { 762}
(( segid " " and resid 59 and name HD1 ))
(( segid " " and resid 60 and name HE2 ))
2.700 0.900 0.900 peak 762 weight 0.10000E+01 volume 0.21070E-02 ppm1 1.694 ppm2 2.030 CV 1
OR { 762}
(( segid " " and resid 59 and name HD1 ))
(( segid " " and resid 60 and name HE1 ))
OR { 762}
(( segid " " and resid 59 and name HD2 ))
(( segid " " and resid 60 and name HE2 ))
ASSI { 771}
(( segid " " and resid 12 and name HG12))
( segid " " and resid 16 and name HD1%)
2.200 0.600 0.600 peak 771 weight 0.10000E+01 volume 0.49663E-02 ppm1 1.035 ppm2 0.717 CV 1
OR { 771}
(( segid " " and resid 12 and name HG11))
( segid " " and resid 16 and name HD1%)
ASSI { 772}
(( segid " " and resid 12 and name HG11))
( segid " " and resid 9 and name HD1%)
3.100 1.200 1.200 peak 772 weight 0.10000E+01 volume 0.22261E-02 ppm1 1.035 ppm2 0.835 CV 1
OR { 772}
(( segid " " and resid 12 and name HG12))
( segid " " and resid 9 and name HD1%)
ASSI { 774}
(( segid " " and resid 12 and name HG12))
(( segid " " and resid 16 and name HG11))
2.600 0.800 0.800 peak 774 weight 0.10000E+01 volume 0.47156E-02 ppm1 1.035 ppm2 1.327 CV 1
OR { 774}
(( segid " " and resid 12 and name HG12))
(( segid " " and resid 16 and name HG12))
OR { 774}
(( segid " " and resid 12 and name HG11))
(( segid " " and resid 16 and name HG12))
OR { 774}
(( segid " " and resid 12 and name HG11))
(( segid " " and resid 16 and name HG11))
ASSI { 786}
(( segid " " and resid 9 and name HG ))
( segid " " and resid 9 and name HD1%)
2.300 0.700 0.700 peak 786 weight 0.10000E+01 volume 0.32667E-02 ppm1 1.564 ppm2 0.811 CV 1
ASSI { 787}
(( segid " " and resid 9 and name HG ))
( segid " " and resid 75 and name HD2%)
3.300 1.400 1.400 peak 787 weight 0.10000E+01 volume 0.11921E-02 ppm1 1.564 ppm2 0.928 CV 1
OR { 787}
(( segid " " and resid 9 and name HG ))
( segid " " and resid 75 and name HD1%)
ASSI { 790}
(( segid " " and resid 9 and name HG ))
( segid " " and resid 9 and name HD2%)
2.600 0.800 0.800 peak 790 weight 0.10000E+01 volume 0.19706E-02 ppm1 1.611 ppm2 0.460 CV 1
ASSI { 793}
(( segid " " and resid 59 and name HD2 ))
(( segid " " and resid 59 and name HB2 ))
2.600 0.800 0.800 peak 793 weight 0.10000E+01 volume 0.16303E-02 ppm1 1.670 ppm2 1.421 CV 1
OR { 793}
(( segid " " and resid 59 and name HD1 ))
(( segid " " and resid 59 and name HB2 ))
ASSI { 794}
(( segid " " and resid 59 and name HD2 ))
(( segid " " and resid 59 and name HE1 ))
3.100 1.200 1.200 peak 794 weight 0.10000E+01 volume 0.66425E-03 ppm1 1.670 ppm2 2.780 CV 1
OR { 794}
(( segid " " and resid 59 and name HD1 ))
(( segid " " and resid 59 and name HE2 ))
OR { 794}
(( segid " " and resid 59 and name HD2 ))
(( segid " " and resid 59 and name HE2 ))
OR { 794}
(( segid " " and resid 59 and name HD1 ))
(( segid " " and resid 59 and name HE1 ))
ASSI { 795}
(( segid " " and resid 59 and name HD2 ))
(( segid " " and resid 59 and name HA ))
3.600 1.600 1.600 peak 795 weight 0.10000E+01 volume 0.12434E-02 ppm1 1.670 ppm2 4.585 CV 1
OR { 795}
(( segid " " and resid 59 and name HD1 ))
(( segid " " and resid 59 and name HA ))
ASSI { 820}
(( segid " " and resid 65 and name HG ))
( segid " " and resid 65 and name HD1%)
2.600 0.800 0.800 peak 820 weight 0.10000E+01 volume 0.15357E-02 ppm1 1.835 ppm2 0.835 CV 1
ASSI { 857}
( segid " " and resid 75 and name HD2%)
(( segid " " and resid 9 and name HA ))
3.100 1.200 1.200 peak 857 weight 0.10000E+01 volume 0.84853E-03 ppm1 0.941 ppm2 4.116 CV 1
OR { 857}
( segid " " and resid 75 and name HD1%)
(( segid " " and resid 9 and name HA ))
ASSI { 860}
( segid " " and resid 75 and name HD1%)
(( segid " " and resid 63 and name HB2 ))
3.000 1.100 1.100 peak 860 weight 0.10000E+01 volume 0.60710E-03 ppm1 0.976 ppm2 2.639 CV 1
OR { 860}
( segid " " and resid 75 and name HD2%)
(( segid " " and resid 63 and name HB2 ))
ASSI { 895}
( segid " " and resid 75 and name HD1%)
(( segid " " and resid 75 and name HB2 ))
2.600 0.800 0.800 peak 895 weight 0.10000E+01 volume 0.20639E-02 ppm1 0.941 ppm2 1.631 CV 1
OR { 895}
( segid " " and resid 75 and name HD2%)
(( segid " " and resid 75 and name HB1 ))
OR { 895}
( segid " " and resid 75 and name HD2%)
(( segid " " and resid 75 and name HB2 ))
OR { 895}
( segid " " and resid 75 and name HD1%)
(( segid " " and resid 75 and name HB1 ))
ASSI { 896}
( segid " " and resid 75 and name HD2%)
(( segid " " and resid 9 and name HB2 ))
2.200 0.600 0.600 peak 896 weight 0.10000E+01 volume 0.40390E-02 ppm1 0.941 ppm2 1.960 CV 1
OR { 896}
( segid " " and resid 75 and name HD1%)
(( segid " " and resid 9 and name HB2 ))
ASSI { 897}
( segid " " and resid 75 and name HD1%)
(( segid " " and resid 75 and name HA ))
3.400 1.400 1.400 peak 897 weight 0.10000E+01 volume 0.15873E-02 ppm1 0.941 ppm2 4.889 CV 1
OR { 897}
( segid " " and resid 75 and name HD2%)
(( segid " " and resid 75 and name HA ))
ASSI { 900}
( segid " " and resid 75 and name HD2%)
( segid " " and resid 7 and name HE% )
2.900 1.100 1.100 peak 900 weight 0.10000E+01 volume 0.10696E-02 ppm1 0.941 ppm2 7.397 CV 1
OR { 900}
( segid " " and resid 75 and name HD2%)
( segid " " and resid 7 and name HD% )
OR { 900}
( segid " " and resid 75 and name HD1%)
( segid " " and resid 7 and name HD% )
ASSI { 901}
( segid " " and resid 75 and name HD1%)
(( segid " " and resid 24 and name HH2 ))
3.000 1.200 1.200 peak 901 weight 0.10000E+01 volume 0.85885E-03 ppm1 0.941 ppm2 7.491 CV 1
OR { 901}
( segid " " and resid 75 and name HD2%)
(( segid " " and resid 24 and name HH2 ))
ASSI { 905}
( segid " " and resid 65 and name HD2%)
(( segid " " and resid 65 and name HA ))
3.600 1.600 1.600 peak 905 weight 0.10000E+01 volume 0.12244E-02 ppm1 1.000 ppm2 3.741 CV 1
ASSI { 908}
(( segid " " and resid 58 and name HG11))
(( segid " " and resid 26 and name HB ))
3.900 1.900 1.900 peak 908 weight 0.10000E+01 volume 0.62407E-03 ppm1 1.258 ppm2 2.311 CV 1
OR { 908}
(( segid " " and resid 58 and name HG12))
(( segid " " and resid 26 and name HB ))
ASSI { 941}
( segid " " and resid 75 and name HD2%)
( segid " " and resid 69 and name HB% )
3.000 1.100 1.100 peak 941 weight 0.10000E+01 volume 0.10169E-02 ppm1 0.953 ppm2 0.155 CV 1
OR { 941}
( segid " " and resid 75 and name HD1%)
( segid " " and resid 69 and name HB% )
ASSI { 942}
( segid " " and resid 75 and name HD2%)
(( segid " " and resid 7 and name HZ ))
3.500 1.500 1.500 peak 942 weight 0.10000E+01 volume 0.67016E-03 ppm1 0.964 ppm2 7.631 CV 1
OR { 942}
( segid " " and resid 75 and name HD1%)
(( segid " " and resid 7 and name HZ ))
ASSI { 966}
(( segid " " and resid 60 and name HG2 ))
(( segid " " and resid 60 and name HB2 ))
3.200 1.300 1.300 peak 966 weight 0.10000E+01 volume 0.56754E-03 ppm1 0.235 ppm2 1.702 CV 1
OR { 966}
(( segid " " and resid 60 and name HG1 ))
(( segid " " and resid 60 and name HB2 ))
ASSI { 969}
(( segid " " and resid 60 and name HG2 ))
(( segid " " and resid 60 and name HA ))
3.700 1.700 1.700 peak 969 weight 0.10000E+01 volume 0.58882E-03 ppm1 0.247 ppm2 4.303 CV 1
OR { 969}
(( segid " " and resid 60 and name HG1 ))
(( segid " " and resid 60 and name HA ))
ASSI { 971}
( segid " " and resid 9 and name HD1%)
( segid " " and resid 7 and name HE% )
3.500 1.500 1.500 peak 971 weight 0.10000E+01 volume 0.69530E-03 ppm1 0.800 ppm2 7.327 CV 1
ASSI { 974}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 18 and name HA ))
3.600 1.600 1.600 peak 974 weight 0.10000E+01 volume 0.90762E-03 ppm1 0.835 ppm2 5.006 CV 1
ASSI { 1005}
(( segid " " and resid 59 and name HG1 ))
(( segid " " and resid 59 and name HD2 ))
2.900 1.100 1.100 peak 1005 weight 0.10000E+01 volume 0.85806E-03 ppm1 1.270 ppm2 1.702 CV 1
OR { 1005}
(( segid " " and resid 59 and name HG2 ))
(( segid " " and resid 59 and name HD1 ))
OR { 1005}
(( segid " " and resid 59 and name HG2 ))
(( segid " " and resid 59 and name HD2 ))
OR { 1005}
(( segid " " and resid 59 and name HG1 ))
(( segid " " and resid 59 and name HD1 ))
ASSI { 1006}
(( segid " " and resid 45 and name HG2 ))
(( segid " " and resid 45 and name HB1 ))
1.900 0.400 0.400 peak 1006 weight 0.10000E+01 volume 0.14123E-01 ppm1 1.376 ppm2 1.631 CV 1
OR { 1006}
(( segid " " and resid 45 and name HG1 ))
(( segid " " and resid 45 and name HB2 ))
OR { 1006}
(( segid " " and resid 45 and name HG2 ))
(( segid " " and resid 45 and name HB2 ))
OR { 1006}
(( segid " " and resid 45 and name HG1 ))
(( segid " " and resid 45 and name HB1 ))
ASSI { 1011}
( segid " " and resid 9 and name HD1%)
( segid " " and resid 12 and name HD1%)
2.100 0.600 0.600 peak 1011 weight 0.10000E+01 volume 0.61791E-02 ppm1 0.811 ppm2 0.577 CV 1
ASSI { 1044}
(( segid " " and resid 59 and name HG2 ))
(( segid " " and resid 60 and name HA ))
3.400 1.400 1.400 peak 1044 weight 0.10000E+01 volume 0.74998E-03 ppm1 1.282 ppm2 4.350 CV 1
OR { 1044}
(( segid " " and resid 59 and name HG1 ))
(( segid " " and resid 60 and name HA ))
ASSI { 1116}
( segid " " and resid 86 and name HD2%)
(( segid " " and resid 6 and name HB1 ))
3.100 1.200 1.200 peak 1116 weight 0.10000E+01 volume 0.57460E-03 ppm1 0.835 ppm2 2.077 CV 1
OR { 1116}
( segid " " and resid 86 and name HD1%)
(( segid " " and resid 6 and name HB1 ))
ASSI { 1168}
( segid " " and resid 86 and name HD2%)
(( segid " " and resid 86 and name HB1 ))
2.300 0.600 0.600 peak 1168 weight 0.10000E+01 volume 0.64320E-02 ppm1 0.800 ppm2 1.561 CV 1
OR { 1168}
( segid " " and resid 86 and name HD2%)
(( segid " " and resid 86 and name HB2 ))
ASSI { 1180}
( segid " " and resid 86 and name HD2%)
(( segid " " and resid 86 and name HA ))
2.400 0.700 0.700 peak 1180 weight 0.10000E+01 volume 0.55955E-02 ppm1 0.823 ppm2 4.210 CV 1
OR { 1180}
( segid " " and resid 86 and name HD1%)
(( segid " " and resid 86 and name HA ))
ASSI { 1183}
( segid " " and resid 86 and name HD2%)
(( segid " " and resid 8 and name HE1 ))
2.700 0.900 0.900 peak 1183 weight 0.10000E+01 volume 0.83360E-03 ppm1 0.835 ppm2 2.897 CV 1
OR { 1183}
( segid " " and resid 86 and name HD1%)
(( segid " " and resid 8 and name HE1 ))
ASSI { 1190}
( segid " " and resid 86 and name HD1%)
(( segid " " and resid 86 and name HB2 ))
2.900 1.000 1.000 peak 1190 weight 0.10000E+01 volume 0.15441E-02 ppm1 0.847 ppm2 1.561 CV 1
OR { 1190}
( segid " " and resid 86 and name HD2%)
(( segid " " and resid 86 and name HB1 ))
OR { 1190}
( segid " " and resid 86 and name HD2%)
(( segid " " and resid 86 and name HB2 ))
OR { 1190}
( segid " " and resid 86 and name HD1%)
(( segid " " and resid 86 and name HB1 ))
ASSI { 1191}
( segid " " and resid 86 and name HD1%)
(( segid " " and resid 85 and name HB1 ))
3.000 1.100 1.100 peak 1191 weight 0.10000E+01 volume 0.96327E-03 ppm1 0.847 ppm2 2.569 CV 1
OR { 1191}
( segid " " and resid 86 and name HD2%)
(( segid " " and resid 85 and name HB2 ))
OR { 1191}
( segid " " and resid 86 and name HD1%)
(( segid " " and resid 85 and name HB2 ))
ASSI { 1193}
( segid " " and resid 86 and name HD2%)
(( segid " " and resid 6 and name HE21))
2.900 1.100 1.100 peak 1193 weight 0.10000E+01 volume 0.96429E-03 ppm1 0.847 ppm2 6.764 CV 1
OR { 1193}
( segid " " and resid 86 and name HD1%)
(( segid " " and resid 6 and name HE21))
ASSI { 1210}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 48 and name HA ))
3.400 1.400 1.400 peak 1210 weight 0.10000E+01 volume 0.81257E-03 ppm1 1.164 ppm2 4.374 CV 1
ASSI { 1211}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 42 and name HE21))
2.700 0.900 0.900 peak 1211 weight 0.10000E+01 volume 0.66570E-03 ppm1 1.164 ppm2 6.647 CV 1
ASSI { 1316}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 42 and name HG2 ))
2.800 1.000 1.000 peak 1316 weight 0.10000E+01 volume 0.55584E-03 ppm1 1.164 ppm2 2.171 CV 1
OR { 1316}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 42 and name HG1 ))
ASSI { 1319}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 47 and name HB2 ))
3.000 1.100 1.100 peak 1319 weight 0.10000E+01 volume 0.56623E-03 ppm1 1.164 ppm2 3.647 CV 1
OR { 1319}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 47 and name HB1 ))
ASSI { 1377}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 22 and name HA ))
3.500 1.600 1.600 peak 1377 weight 0.10000E+01 volume 0.73238E-03 ppm1 0.929 ppm2 4.374 CV 1
ASSI { 1390}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 55 and name HA ))
3.300 1.400 1.400 peak 1390 weight 0.10000E+01 volume 0.91887E-03 ppm1 1.153 ppm2 5.124 CV 1
ASSI { 1392}
( segid " " and resid 31 and name HG2%)
( segid " " and resid 38 and name HD1%)
4.100 2.100 1.900 peak 1392 weight 0.10000E+01 volume 0.13200E-02 ppm1 1.164 ppm2 0.811 CV 1
ASSI { 1393}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 57 and name HB ))
3.400 1.400 1.400 peak 1393 weight 0.10000E+01 volume 0.13778E-02 ppm1 1.164 ppm2 1.796 CV 1
ASSI { 1434}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 64 and name HB2 ))
3.700 1.700 1.700 peak 1434 weight 0.10000E+01 volume 0.10797E-02 ppm1 0.894 ppm2 2.944 CV 1
ASSI { 1438}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 24 and name HE1 ))
3.800 1.800 1.800 peak 1438 weight 0.10000E+01 volume 0.69899E-03 ppm1 0.906 ppm2 9.155 CV 1
ASSI { 1450}
( segid " " and resid 31 and name HG2%)
( segid " " and resid 58 and name HD1%)
3.600 1.600 1.600 peak 1450 weight 0.10000E+01 volume 0.17955E-02 ppm1 1.164 ppm2 0.694 CV 1
ASSI { 1455}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 58 and name HB ))
4.000 2.000 2.000 peak 1455 weight 0.10000E+01 volume 0.10290E-02 ppm1 1.164 ppm2 2.428 CV 1
ASSI { 1458}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 31 and name HA ))
2.200 0.600 0.600 peak 1458 weight 0.10000E+01 volume 0.60576E-02 ppm1 1.164 ppm2 4.842 CV 1
ASSI { 1459}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 33 and name HA ))
3.600 1.600 1.600 peak 1459 weight 0.10000E+01 volume 0.59647E-03 ppm1 1.164 ppm2 5.264 CV 1
ASSI { 1474}
( segid " " and resid 4 and name HG1%)
(( segid " " and resid 3 and name HA ))
3.400 1.400 1.400 peak 1474 weight 0.10000E+01 volume 0.77740E-03 ppm1 0.647 ppm2 4.538 CV 1
ASSI { 1481}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 60 and name HE2 ))
3.700 1.700 1.700 peak 1481 weight 0.10000E+01 volume 0.11690E-02 ppm1 0.659 ppm2 2.006 CV 1
OR { 1481}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 60 and name HE1 ))
OR { 1481}
( segid " " and resid 4 and name HG1%)
(( segid " " and resid 60 and name HE2 ))
ASSI { 1482}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 5 and name HA ))
3.400 1.500 1.500 peak 1482 weight 0.10000E+01 volume 0.58342E-03 ppm1 0.659 ppm2 4.256 CV 1
OR { 1482}
( segid " " and resid 4 and name HG1%)
(( segid " " and resid 5 and name HA ))
ASSI { 1484}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 6 and name HB1 ))
3.500 1.600 1.600 peak 1484 weight 0.10000E+01 volume 0.70228E-03 ppm1 0.670 ppm2 2.077 CV 1
ASSI { 1485}
( segid " " and resid 4 and name HG1%)
(( segid " " and resid 3 and name HB2 ))
2.800 1.000 1.000 peak 1485 weight 0.10000E+01 volume 0.64098E-03 ppm1 0.670 ppm2 2.171 CV 1
OR { 1485}
( segid " " and resid 4 and name HG1%)
(( segid " " and resid 3 and name HB1 ))
OR { 1485}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 3 and name HB2 ))
OR { 1485}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 3 and name HB1 ))
ASSI { 1525}
( segid " " and resid 20 and name HG2%)
( segid " " and resid 68 and name HD1%)
2.300 0.600 0.600 peak 1525 weight 0.10000E+01 volume 0.45082E-02 ppm1 0.906 ppm2 0.694 CV 1
ASSI { 1536}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 66 and name HA ))
2.200 0.600 0.600 peak 1536 weight 0.10000E+01 volume 0.55662E-02 ppm1 0.929 ppm2 4.116 CV 1
ASSI { 1537}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 68 and name HA ))
2.800 1.000 1.000 peak 1537 weight 0.10000E+01 volume 0.11964E-02 ppm1 0.929 ppm2 4.303 CV 1
ASSI { 1545}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 21 and name HA ))
3.700 1.700 1.700 peak 1545 weight 0.10000E+01 volume 0.11403E-02 ppm1 0.941 ppm2 3.506 CV 1
ASSI { 1552}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 31 and name HB ))
2.200 0.600 0.600 peak 1552 weight 0.10000E+01 volume 0.54876E-02 ppm1 1.176 ppm2 4.069 CV 1
ASSI { 1756}
( segid " " and resid 69 and name HB% )
( segid " " and resid 7 and name HE% )
3.400 1.400 1.400 peak 1756 weight 0.10000E+01 volume 0.92544E-03 ppm1 0.141 ppm2 7.397 CV 1
OR { 1756}
( segid " " and resid 69 and name HB% )
( segid " " and resid 7 and name HD% )
ASSI { 1759}
( segid " " and resid 69 and name HB% )
( segid " " and resid 9 and name HD2%)
2.700 0.900 0.900 peak 1759 weight 0.10000E+01 volume 0.24756E-02 ppm1 0.153 ppm2 0.436 CV 1
ASSI { 1992}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 38 and name HA ))
3.600 1.600 1.600 peak 1992 weight 0.10000E+01 volume 0.11402E-02 ppm1 0.576 ppm2 4.678 CV 1
ASSI { 2013}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 13 and name HA2 ))
3.400 1.400 1.400 peak 2013 weight 0.10000E+01 volume 0.11083E-02 ppm1 0.729 ppm2 3.741 CV 1
OR { 2013}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 13 and name HA1 ))
ASSI { 2017}
( segid " " and resid 50 and name HG2%)
(( segid " " and resid 37 and name HB1 ))
3.400 1.400 1.400 peak 2017 weight 0.10000E+01 volume 0.10628E-02 ppm1 1.011 ppm2 3.389 CV 1
OR { 2017}
( segid " " and resid 50 and name HG2%)
(( segid " " and resid 37 and name HB2 ))
ASSI { 2027}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 24 and name HZ3 ))
2.900 1.100 1.100 peak 2027 weight 0.10000E+01 volume 0.72275E-03 ppm1 1.223 ppm2 6.764 CV 1
ASSI { 2028}
( segid " " and resid 38 and name HG2%)
( segid " " and resid 61 and name HD1%)
3.100 1.200 1.200 peak 2028 weight 0.10000E+01 volume 0.57429E-03 ppm1 1.235 ppm2 -0.290 CV 1
ASSI { 2030}
( segid " " and resid 38 and name HG2%)
( segid " " and resid 38 and name HD1%)
2.100 0.600 0.600 peak 2030 weight 0.10000E+01 volume 0.42115E-02 ppm1 1.235 ppm2 0.811 CV 1
ASSI { 2035}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 38 and name HB ))
2.100 0.600 0.600 peak 2035 weight 0.10000E+01 volume 0.38135E-02 ppm1 1.235 ppm2 1.936 CV 1
ASSI { 2036}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 39 and name HB1 ))
3.100 1.200 1.200 peak 2036 weight 0.10000E+01 volume 0.63235E-03 ppm1 1.235 ppm2 2.546 CV 1
OR { 2036}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 39 and name HB2 ))
ASSI { 2038}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 38 and name HA ))
2.500 0.800 0.800 peak 2038 weight 0.10000E+01 volume 0.22100E-02 ppm1 1.235 ppm2 4.678 CV 1
ASSI { 2042}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 24 and name HZ2 ))
3.900 1.900 1.900 peak 2042 weight 0.10000E+01 volume 0.56019E-03 ppm1 1.235 ppm2 7.678 CV 1
ASSI { 2061}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 16 and name HG11))
2.900 1.000 1.000 peak 2061 weight 0.10000E+01 volume 0.11036E-02 ppm1 0.764 ppm2 1.327 CV 1
OR { 2061}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 16 and name HG12))
ASSI { 2062}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 16 and name HA ))
4.000 2.000 2.000 peak 2062 weight 0.10000E+01 volume 0.61235E-03 ppm1 0.776 ppm2 4.069 CV 1
ASSI { 2075}
( segid " " and resid 68 and name HG2%)
( segid " " and resid 9 and name HD1%)
2.900 1.000 1.000 peak 2075 weight 0.10000E+01 volume 0.17725E-02 ppm1 0.329 ppm2 0.811 CV 1
ASSI { 2142}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 18 and name HG2 ))
3.400 1.400 1.400 peak 2142 weight 0.10000E+01 volume 0.78912E-03 ppm1 0.564 ppm2 1.983 CV 1
OR { 2142}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 18 and name HG1 ))
ASSI { 2143}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 19 and name HA ))
3.700 1.700 1.700 peak 2143 weight 0.10000E+01 volume 0.78600E-03 ppm1 0.576 ppm2 4.655 CV 1
ASSI { 2148}
( segid " " and resid 12 and name HD1%)
( segid " " and resid 9 and name HD2%)
2.100 0.600 0.600 peak 2148 weight 0.10000E+01 volume 0.76509E-02 ppm1 0.553 ppm2 0.436 CV 1
ASSI { 2168}
( segid " " and resid 16 and name HD1%)
(( segid " " and resid 12 and name HA ))
2.600 0.900 0.900 peak 2168 weight 0.10000E+01 volume 0.19981E-02 ppm1 0.717 ppm2 4.280 CV 1
ASSI { 2178}
( segid " " and resid 16 and name HD1%)
(( segid " " and resid 17 and name HA ))
3.400 1.500 1.500 peak 2178 weight 0.10000E+01 volume 0.61543E-03 ppm1 0.682 ppm2 4.491 CV 1
ASSI { 2186}
( segid " " and resid 68 and name HD1%)
(( segid " " and resid 18 and name HB2 ))
3.300 1.400 1.400 peak 2186 weight 0.10000E+01 volume 0.82774E-03 ppm1 0.717 ppm2 1.866 CV 1
Contact the webmaster for help, if required. Wednesday, May 1, 2024 11:50:19 PM GMT (wattos1)