NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
23795 |
2jye   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 297}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 21 and name HD1%)
3.900 1.900 1.900 peak 297 weight 0.10000E+01 volume 0.14638E-02 ppm1 7.231 ppm2 0.815 CV 1
OR { 297}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 20 and name HG2 ))
ASSI { 479}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 58 and name HA ))
5.200 3.400 0.800 peak 479 weight 0.68847E+00 volume 0.48904E-03 ppm1 8.421 ppm2 4.743 CV 1
OR { 479}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 50 and name HA ))
ASSI { 528}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 13 and name HA ))
4.300 2.300 1.700 peak 528 weight 0.88365E+00 volume 0.28172E-03 ppm1 8.314 ppm2 4.699 CV 1
OR { 528}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HA ))
ASSI { 579}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 58 and name HG1 ))
6.000 4.700 0.000 peak 579 weight 0.98734E+00 volume 0.53806E-04 ppm1 8.944 ppm2 2.279 CV 1
OR { 579}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 53 and name HG2 ))
ASSI { 520}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 19 and name HB2 ))
4.400 2.400 1.600 peak 520 weight 0.10000E+01 volume 0.27141E-03 ppm1 9.784 ppm2 3.438 CV 1
OR { 520}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 15 and name HA2 ))
ASSI { 535}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 10 and name HG1%)
5.300 3.500 0.700 peak 535 weight 0.88403E+00 volume 0.16566E-03 ppm1 9.281 ppm2 0.763 CV 1
OR { 535}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 10 and name HG1%)
ASSI { 569}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 4 and name HG1%)
5.900 4.400 0.100 peak 569 weight 0.92556E+00 volume 0.90996E-04 ppm1 8.493 ppm2 0.965 CV 1
OR { 569}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 10 and name HG2%)
OR { 569}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 4 and name HG2%)
ASSI { 628}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HN ))
3.900 1.900 1.900 peak 628 weight 0.10000E+01 volume 0.13188E-02 ppm1 9.294 ppm2 8.353 CV 1
OR { 628}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HN ))
ASSI { 743}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 32 and name HA ))
4.100 2.100 1.900 peak 743 weight 0.10000E+01 volume 0.68951E-03 ppm1 7.085 ppm2 4.204 CV 1
OR { 743}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 35 and name HA ))
ASSI { 744}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 32 and name HA ))
3.700 1.700 1.700 peak 744 weight 0.92308E+00 volume 0.14567E-02 ppm1 7.242 ppm2 4.214 CV 1
OR { 744}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 35 and name HA ))
ASSI { 745}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 15 and name HA2 ))
3.900 1.900 1.900 peak 745 weight 0.10000E+01 volume 0.41568E-03 ppm1 7.086 ppm2 3.428 CV 1
OR { 745}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 19 and name HB2 ))
OR { 745}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 19 and name HB1 ))
ASSI { 746}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 15 and name HA2 ))
4.200 2.200 1.800 peak 746 weight 0.10000E+01 volume 0.32715E-03 ppm1 7.244 ppm2 3.428 CV 1
OR { 746}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 19 and name HB2 ))
OR { 746}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 19 and name HB1 ))
ASSI { 754}
( segid " " and resid 31 and name HE% )
( segid " " and resid 17 and name HG2%)
3.700 1.700 1.700 peak 754 weight 0.10000E+01 volume 0.13112E-02 ppm1 7.243 ppm2 1.100 CV 1
OR { 754}
( segid " " and resid 31 and name HE% )
( segid " " and resid 32 and name HG2%)
ASSI { 756}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 21 and name HD1%)
4.400 2.400 1.600 peak 756 weight 0.10000E+01 volume 0.83178E-03 ppm1 7.242 ppm2 0.830 CV 1
OR { 756}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 20 and name HG1 ))
ASSI { 824}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 21 and name HD1%)
5.100 3.200 0.900 peak 824 weight 0.92308E+00 volume 0.49710E-03 ppm1 7.991 ppm2 0.826 CV 1
OR { 824}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 21 and name HD2%)
OR { 824}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 20 and name HG1 ))
OR { 824}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 20 and name HG2 ))
ASSI { 401}
(( segid " " and resid 26 and name HE3 ))
(( segid " " and resid 20 and name HD2 ))
3.800 1.800 1.800 peak 401 weight 0.10000E+01 volume 0.23347E-03 ppm1 7.441 ppm2 2.363 CV 1
OR { 401}
(( segid " " and resid 26 and name HE3 ))
(( segid " " and resid 12 and name HB2 ))
ASSI { 402}
(( segid " " and resid 26 and name HE3 ))
(( segid " " and resid 20 and name HD1 ))
3.300 1.400 1.400 peak 402 weight 0.92308E+00 volume 0.14522E-02 ppm1 7.438 ppm2 2.107 CV 1
OR { 402}
(( segid " " and resid 26 and name HE3 ))
(( segid " " and resid 6 and name HB1 ))
ASSI { 404}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 6 and name HB1 ))
3.600 1.600 1.600 peak 404 weight 0.92308E+00 volume 0.55661E-03 ppm1 7.332 ppm2 2.106 CV 1
OR { 404}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 20 and name HD1 ))
ASSI { 426}
(( segid " " and resid 26 and name HZ3 ))
(( segid " " and resid 20 and name HD1 ))
3.300 1.400 1.400 peak 426 weight 0.10000E+01 volume 0.32016E-03 ppm1 6.797 ppm2 2.107 CV 1
OR { 426}
(( segid " " and resid 26 and name HZ3 ))
(( segid " " and resid 6 and name HB1 ))
ASSI { 427}
(( segid " " and resid 26 and name HH2 ))
(( segid " " and resid 20 and name HD1 ))
3.400 1.400 1.400 peak 427 weight 0.10000E+01 volume 0.26214E-03 ppm1 7.143 ppm2 2.102 CV 1
OR { 427}
(( segid " " and resid 26 and name HH2 ))
(( segid " " and resid 6 and name HB1 ))
ASSI { 444}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 13 and name HA ))
4.600 2.700 1.400 peak 444 weight 0.10000E+01 volume 0.16290E-03 ppm1 6.683 ppm2 4.654 CV 1
OR { 444}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 17 and name HA ))
ASSI { 445}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 13 and name HA ))
5.900 4.300 0.100 peak 445 weight 0.88606E+00 volume 0.48987E-04 ppm1 6.756 ppm2 4.655 CV 1
OR { 445}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 17 and name HA ))
ASSI { 617}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 60 and name HB1 ))
5.900 4.400 0.100 peak 617 weight 0.10000E+01 volume 0.11962E-03 ppm1 5.064 ppm2 1.539 CV 1
OR { 617}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 61 and name HB2 ))
OR { 617}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 61 and name HB1 ))
ASSI { 734}
(( segid " " and resid 54 and name HB2 ))
( segid " " and resid 56 and name HG2%)
4.100 2.100 1.900 peak 734 weight 0.99371E+00 volume 0.89168E-03 ppm1 1.904 ppm2 1.040 CV 1
OR { 734}
(( segid " " and resid 37 and name HB1 ))
( segid " " and resid 56 and name HG2%)
ASSI { 770}
(( segid " " and resid 42 and name HB2 ))
( segid " " and resid 41 and name HG2%)
4.600 2.600 1.400 peak 770 weight 0.97434E+00 volume 0.23337E-03 ppm1 3.265 ppm2 0.583 CV 1
OR { 770}
(( segid " " and resid 40 and name HB2 ))
( segid " " and resid 41 and name HG2%)
ASSI { 7}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 26 and name HA ))
3.200 1.300 1.300 peak 7 weight 0.10000E+01 volume 0.16636E-02 ppm1 8.721 ppm2 4.816 CV 1
ASSI { 9}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA ))
1.900 0.400 0.400 peak 9 weight 0.10000E+01 volume 0.78781E-02 ppm1 8.720 ppm2 3.974 CV 1
ASSI { 17}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 6 and name HN ))
5.300 3.500 0.700 peak 17 weight 0.80438E+00 volume 0.11006E-03 ppm1 8.300 ppm2 8.528 CV 1
ASSI { 21}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
2.100 0.500 0.500 peak 21 weight 0.92308E+00 volume 0.92916E-02 ppm1 8.301 ppm2 4.098 CV 1
ASSI { 25}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 4 and name HG1%)
3.000 1.100 1.100 peak 25 weight 0.10000E+01 volume 0.29983E-02 ppm1 8.301 ppm2 0.912 CV 1
ASSI { 38}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 48 and name HA ))
2.800 1.000 1.000 peak 38 weight 0.10000E+01 volume 0.21911E-02 ppm1 8.239 ppm2 5.035 CV 1
ASSI { 51}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 29 and name HN ))
2.400 0.700 0.700 peak 51 weight 0.10000E+01 volume 0.15273E-02 ppm1 9.288 ppm2 9.766 CV 1
ASSI { 54}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 16 and name HD% )
6.000 4.600 0.000 peak 54 weight 0.10000E+01 volume 0.62769E-04 ppm1 9.288 ppm2 6.664 CV 1
ASSI { 57}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 30 and name HA ))
3.500 1.500 1.500 peak 57 weight 0.10000E+01 volume 0.24256E-02 ppm1 9.287 ppm2 3.870 CV 1
ASSI { 58}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 29 and name HB2 ))
3.700 1.800 1.800 peak 58 weight 0.10000E+01 volume 0.15655E-02 ppm1 9.286 ppm2 2.895 CV 1
ASSI { 59}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 12 and name HB2 ))
5.200 3.400 0.800 peak 59 weight 0.92308E+00 volume 0.22615E-03 ppm1 9.288 ppm2 2.718 CV 1
ASSI { 67}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 28 and name HA ))
6.000 6.000 0.000 peak 67 weight 0.60434E+00 volume 0.19075E-04 ppm1 9.288 ppm2 5.627 CV 1
ASSI { 160}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HG2 ))
4.000 2.000 2.000 peak 160 weight 0.10000E+01 volume 0.15845E-02 ppm1 8.846 ppm2 2.088 CV 1
ASSI { 166}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA ))
2.100 0.600 0.600 peak 166 weight 0.10000E+01 volume 0.66940E-02 ppm1 8.658 ppm2 4.449 CV 1
ASSI { 169}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB2 ))
3.800 1.800 1.800 peak 169 weight 0.10000E+01 volume 0.20032E-02 ppm1 8.660 ppm2 2.584 CV 1
ASSI { 171}
(( segid " " and resid 29 and name HN ))
( segid " " and resid 16 and name HD% )
6.000 5.900 0.000 peak 171 weight 0.60305E+00 volume 0.18852E-04 ppm1 9.774 ppm2 6.688 CV 1
ASSI { 172}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HA ))
2.100 0.500 0.500 peak 172 weight 0.10000E+01 volume 0.46179E-02 ppm1 9.774 ppm2 5.621 CV 1
ASSI { 175}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HB2 ))
3.600 1.600 1.600 peak 175 weight 0.92308E+00 volume 0.25506E-02 ppm1 9.774 ppm2 2.635 CV 1
ASSI { 212}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 17 and name HG2%)
3.400 1.400 1.400 peak 212 weight 0.10000E+01 volume 0.13815E-02 ppm1 8.355 ppm2 1.092 CV 1
ASSI { 215}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB ))
3.800 1.800 1.800 peak 215 weight 0.10000E+01 volume 0.17503E-02 ppm1 8.356 ppm2 3.858 CV 1
ASSI { 221}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 48 and name HA ))
3.000 1.200 1.200 peak 221 weight 0.10000E+01 volume 0.33501E-02 ppm1 9.252 ppm2 5.090 CV 1
ASSI { 222}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 50 and name HA ))
4.500 2.500 1.500 peak 222 weight 0.10000E+01 volume 0.52117E-03 ppm1 9.252 ppm2 4.773 CV 1
ASSI { 230}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA ))
2.200 0.600 0.600 peak 230 weight 0.10000E+01 volume 0.43101E-02 ppm1 8.794 ppm2 5.203 CV 1
ASSI { 233}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB2 ))
4.000 2.000 2.000 peak 233 weight 0.10000E+01 volume 0.16045E-02 ppm1 8.794 ppm2 3.404 CV 1
ASSI { 234}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB1 ))
3.200 1.300 1.300 peak 234 weight 0.10000E+01 volume 0.20476E-02 ppm1 8.795 ppm2 3.183 CV 1
ASSI { 245}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HN ))
4.700 2.800 1.300 peak 245 weight 0.10000E+01 volume 0.42612E-03 ppm1 9.155 ppm2 8.451 CV 1
ASSI { 250}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HN ))
2.500 0.800 0.800 peak 250 weight 0.10000E+01 volume 0.39073E-02 ppm1 7.980 ppm2 7.228 CV 1
ASSI { 255}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 22 and name HB1 ))
2.900 1.100 1.100 peak 255 weight 0.10000E+01 volume 0.14664E-02 ppm1 7.979 ppm2 1.669 CV 1
ASSI { 256}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 25 and name HB% )
4.400 2.400 1.600 peak 256 weight 0.10000E+01 volume 0.10083E-02 ppm1 7.980 ppm2 1.307 CV 1
ASSI { 263}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HE3 ))
3.000 1.100 1.100 peak 263 weight 0.10000E+01 volume 0.15966E-02 ppm1 9.155 ppm2 7.414 CV 1
ASSI { 264}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA ))
2.000 0.500 0.500 peak 264 weight 0.10000E+01 volume 0.66074E-02 ppm1 9.155 ppm2 4.836 CV 1
ASSI { 267}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 20 and name HA ))
3.300 1.400 1.400 peak 267 weight 0.10000E+01 volume 0.13859E-02 ppm1 9.154 ppm2 3.970 CV 1
ASSI { 270}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB2 ))
2.700 0.900 0.900 peak 270 weight 0.10000E+01 volume 0.15319E-02 ppm1 9.154 ppm2 2.908 CV 1
ASSI { 278}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 51 and name HA ))
4.200 2.200 1.800 peak 278 weight 0.86391E+00 volume 0.33244E-03 ppm1 8.121 ppm2 4.854 CV 1
ASSI { 285}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HN ))
6.000 5.200 0.000 peak 285 weight 0.92308E+00 volume 0.58468E-04 ppm1 7.231 ppm2 8.462 CV 1
ASSI { 287}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HD1 ))
4.600 2.700 1.400 peak 287 weight 0.83909E+00 volume 0.57189E-03 ppm1 7.231 ppm2 7.376 CV 1
OR { 287}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HE3 ))
ASSI { 292}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 23 and name HB1 ))
3.700 1.700 1.700 peak 292 weight 0.92308E+00 volume 0.16095E-03 ppm1 7.232 ppm2 3.879 CV 1
ASSI { 293}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HA1 ))
3.300 1.400 1.400 peak 293 weight 0.10000E+01 volume 0.15534E-02 ppm1 7.231 ppm2 3.318 CV 1
ASSI { 301}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 23 and name HB2 ))
5.800 4.200 0.200 peak 301 weight 0.10000E+01 volume 0.63418E-04 ppm1 7.230 ppm2 4.037 CV 1
ASSI { 308}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB2 ))
4.900 2.900 1.100 peak 308 weight 0.10000E+01 volume 0.17250E-03 ppm1 7.680 ppm2 2.039 CV 1
ASSI { 311}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 65 and name HN ))
4.500 2.600 1.500 peak 311 weight 0.86391E+00 volume 0.27816E-03 ppm1 8.117 ppm2 7.984 CV 1
ASSI { 312}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 51 and name HA ))
6.000 5.700 0.000 peak 312 weight 0.57227E+00 volume 0.21328E-04 ppm1 8.117 ppm2 4.857 CV 1
ASSI { 337}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HG1 ))
3.600 1.600 1.600 peak 337 weight 0.10000E+01 volume 0.34556E-02 ppm1 8.333 ppm2 2.505 CV 1
ASSI { 341}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 16 and name HA ))
2.700 0.900 0.900 peak 341 weight 0.95692E+00 volume 0.29340E-02 ppm1 8.064 ppm2 5.004 CV 1
ASSI { 360}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HN ))
5.400 3.700 0.600 peak 360 weight 0.92308E+00 volume 0.13858E-03 ppm1 8.215 ppm2 8.439 CV 1
ASSI { 369}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA ))
2.000 0.500 0.500 peak 369 weight 0.10000E+01 volume 0.12669E-01 ppm1 8.214 ppm2 4.161 CV 1
ASSI { 371}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB ))
3.700 1.700 1.700 peak 371 weight 0.10000E+01 volume 0.17945E-02 ppm1 8.214 ppm2 1.767 CV 1
ASSI { 372}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 10 and name HG2%)
3.400 1.400 1.400 peak 372 weight 0.10000E+01 volume 0.20159E-02 ppm1 8.214 ppm2 0.925 CV 1
ASSI { 373}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 10 and name HG1%)
2.800 0.900 0.900 peak 373 weight 0.10000E+01 volume 0.32936E-02 ppm1 8.213 ppm2 0.741 CV 1
ASSI { 390}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HN ))
4.500 2.600 1.500 peak 390 weight 0.92308E+00 volume 0.57898E-03 ppm1 8.147 ppm2 8.010 CV 1
ASSI { 400}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 26 and name HE3 ))
2.900 1.000 1.000 peak 400 weight 0.10000E+01 volume 0.17362E-02 ppm1 9.274 ppm2 7.412 CV 1
ASSI { 405}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.400 1.500 1.500 peak 405 weight 0.10000E+01 volume 0.29860E-02 ppm1 9.274 ppm2 2.901 CV 1
ASSI { 411}
(( segid " " and resid 57 and name HN ))
( segid " " and resid 56 and name HG2%)
3.300 1.400 1.400 peak 411 weight 0.91910E+00 volume 0.22274E-02 ppm1 8.817 ppm2 1.039 CV 1
ASSI { 425}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HN ))
2.600 0.800 0.800 peak 425 weight 0.10000E+01 volume 0.26736E-02 ppm1 7.192 ppm2 8.734 CV 1
ASSI { 426}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 54 and name HN ))
6.000 5.700 0.000 peak 426 weight 0.74397E+00 volume 0.19681E-04 ppm1 7.192 ppm2 7.849 CV 1
ASSI { 430}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 50 and name HA ))
4.900 3.000 1.100 peak 430 weight 0.10000E+01 volume 0.18043E-03 ppm1 7.193 ppm2 4.744 CV 1
ASSI { 432}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HA1 ))
3.700 1.700 1.700 peak 432 weight 0.10000E+01 volume 0.12453E-02 ppm1 7.192 ppm2 3.555 CV 1
ASSI { 433}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 51 and name HB2 ))
3.400 1.500 1.500 peak 433 weight 0.10000E+01 volume 0.14022E-02 ppm1 7.192 ppm2 3.173 CV 1
ASSI { 434}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 51 and name HB1 ))
5.000 3.100 1.000 peak 434 weight 0.10000E+01 volume 0.28422E-03 ppm1 7.191 ppm2 2.473 CV 1
ASSI { 435}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 54 and name HB1 ))
4.200 2.200 1.800 peak 435 weight 0.10000E+01 volume 0.51516E-03 ppm1 7.193 ppm2 1.891 CV 1
ASSI { 438}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 4 and name HN ))
3.700 1.700 1.700 peak 438 weight 0.10000E+01 volume 0.57933E-03 ppm1 8.828 ppm2 8.256 CV 1
ASSI { 441}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB1 ))
3.600 1.700 1.700 peak 441 weight 0.10000E+01 volume 0.30041E-02 ppm1 8.828 ppm2 3.650 CV 1
ASSI { 450}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 13 and name HA ))
2.000 0.500 0.500 peak 450 weight 0.92308E+00 volume 0.96886E-02 ppm1 8.273 ppm2 4.620 CV 1
ASSI { 453}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB1 ))
2.700 0.900 0.900 peak 453 weight 0.92308E+00 volume 0.36041E-02 ppm1 8.272 ppm2 2.536 CV 1
ASSI { 461}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 54 and name HN ))
4.000 2.000 2.000 peak 461 weight 0.82936E+00 volume 0.93207E-04 ppm1 8.022 ppm2 7.864 CV 1
ASSI { 477}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HA2 ))
3.000 1.100 1.100 peak 477 weight 0.10000E+01 volume 0.13770E-02 ppm1 7.192 ppm2 3.939 CV 1
ASSI { 478}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 54 and name HB2 ))
3.000 1.100 1.100 peak 478 weight 0.10000E+01 volume 0.18312E-02 ppm1 7.191 ppm2 1.604 CV 1
ASSI { 485}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HA2 ))
2.800 1.000 1.000 peak 485 weight 0.10000E+01 volume 0.27271E-02 ppm1 8.459 ppm2 4.258 CV 1
ASSI { 486}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HA1 ))
3.500 1.600 1.600 peak 486 weight 0.10000E+01 volume 0.15285E-02 ppm1 8.458 ppm2 3.614 CV 1
ASSI { 493}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 54 and name HN ))
2.200 0.600 0.600 peak 493 weight 0.10000E+01 volume 0.53027E-02 ppm1 8.359 ppm2 7.863 CV 1
ASSI { 496}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 55 and name HA2 ))
4.300 2.300 1.700 peak 496 weight 0.10000E+01 volume 0.14125E-02 ppm1 8.360 ppm2 3.974 CV 1
ASSI { 499}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 54 and name HB2 ))
5.900 4.400 0.100 peak 499 weight 0.10000E+01 volume 0.20218E-03 ppm1 8.359 ppm2 1.616 CV 1
ASSI { 500}
(( segid " " and resid 53 and name HN ))
( segid " " and resid 52 and name HG2%)
4.400 2.400 1.600 peak 500 weight 0.10000E+01 volume 0.37699E-03 ppm1 8.359 ppm2 1.235 CV 1
ASSI { 511}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HN ))
2.100 0.600 0.600 peak 511 weight 0.10000E+01 volume 0.36125E-02 ppm1 8.731 ppm2 7.858 CV 1
ASSI { 513}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HB2 ))
3.500 1.500 1.500 peak 513 weight 0.10000E+01 volume 0.13207E-02 ppm1 8.730 ppm2 1.614 CV 1
ASSI { 515}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HA ))
3.200 1.300 1.300 peak 515 weight 0.10000E+01 volume 0.12434E-02 ppm1 8.727 ppm2 4.249 CV 1
ASSI { 529}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HN ))
6.000 4.600 0.000 peak 529 weight 0.10000E+01 volume 0.98457E-04 ppm1 8.318 ppm2 9.281 CV 1
ASSI { 533}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 14 and name HA ))
3.200 1.300 1.300 peak 533 weight 0.10000E+01 volume 0.21723E-02 ppm1 8.318 ppm2 4.447 CV 1
ASSI { 534}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA2 ))
3.000 1.200 1.200 peak 534 weight 0.10000E+01 volume 0.19969E-02 ppm1 8.319 ppm2 3.406 CV 1
ASSI { 537}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 12 and name HB1 ))
6.000 6.000 0.000 peak 537 weight 0.66576E+00 volume 0.19461E-04 ppm1 8.319 ppm2 2.354 CV 1
ASSI { 538}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HN ))
2.500 0.800 0.800 peak 538 weight 0.10000E+01 volume 0.33211E-02 ppm1 8.319 ppm2 8.642 CV 1
ASSI { 540}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA1 ))
3.200 1.300 1.300 peak 540 weight 0.10000E+01 volume 0.17146E-02 ppm1 8.318 ppm2 4.201 CV 1
ASSI { 541}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 12 and name HB2 ))
5.200 3.400 0.800 peak 541 weight 0.92308E+00 volume 0.56409E-03 ppm1 8.319 ppm2 2.734 CV 1
ASSI { 557}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 42 and name HA ))
3.300 1.300 1.300 peak 557 weight 0.10000E+01 volume 0.50881E-02 ppm1 7.929 ppm2 4.721 CV 1
ASSI { 560}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 21 and name HN ))
4.900 3.000 1.100 peak 560 weight 0.10000E+01 volume 0.24391E-03 ppm1 8.451 ppm2 8.683 CV 1
ASSI { 567}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HA ))
2.300 0.600 0.600 peak 567 weight 0.10000E+01 volume 0.71463E-02 ppm1 8.452 ppm2 4.287 CV 1
ASSI { 570}
(( segid " " and resid 26 and name HN ))
( segid " " and resid 25 and name HB% )
2.500 0.800 0.800 peak 570 weight 0.10000E+01 volume 0.61690E-02 ppm1 8.452 ppm2 1.300 CV 1
ASSI { 571}
(( segid " " and resid 26 and name HN ))
( segid " " and resid 10 and name HG2%)
4.100 2.100 1.900 peak 571 weight 0.92308E+00 volume 0.36363E-03 ppm1 8.451 ppm2 0.932 CV 1
ASSI { 575}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HA ))
2.100 0.600 0.600 peak 575 weight 0.10000E+01 volume 0.52618E-02 ppm1 8.946 ppm2 4.758 CV 1
ASSI { 583}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 6 and name HN ))
5.400 3.700 0.600 peak 583 weight 0.82582E+00 volume 0.10514E-03 ppm1 8.309 ppm2 8.525 CV 1
ASSI { 587}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA ))
2.200 0.600 0.600 peak 587 weight 0.10000E+01 volume 0.61559E-02 ppm1 8.312 ppm2 4.253 CV 1
ASSI { 588}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 7 and name HB2 ))
5.200 3.300 0.800 peak 588 weight 0.10000E+01 volume 0.59300E-04 ppm1 8.310 ppm2 2.681 CV 1
ASSI { 591}
(( segid " " and resid 9 and name HN ))
( segid " " and resid 10 and name HG2%)
4.800 2.900 1.200 peak 591 weight 0.10000E+01 volume 0.71724E-03 ppm1 8.310 ppm2 0.934 CV 1
ASSI { 608}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 16 and name HN ))
3.800 1.800 1.800 peak 608 weight 0.92308E+00 volume 0.85210E-03 ppm1 8.177 ppm2 8.312 CV 1
ASSI { 611}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HA ))
2.300 0.700 0.700 peak 611 weight 0.92308E+00 volume 0.68725E-02 ppm1 8.177 ppm2 4.637 CV 1
ASSI { 614}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB2 ))
1.900 0.400 0.400 peak 614 weight 0.10000E+01 volume 0.36135E-02 ppm1 8.177 ppm2 2.200 CV 1
ASSI { 615}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB1 ))
3.400 1.400 1.400 peak 615 weight 0.10000E+01 volume 0.28573E-02 ppm1 8.177 ppm2 1.963 CV 1
ASSI { 618}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 15 and name HN ))
6.000 4.800 0.000 peak 618 weight 0.10000E+01 volume 0.10413E-03 ppm1 8.176 ppm2 8.669 CV 1
ASSI { 619}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 16 and name HB2 ))
6.000 4.700 0.000 peak 619 weight 0.96095E+00 volume 0.56470E-04 ppm1 8.166 ppm2 3.157 CV 1
ASSI { 628}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 50 and name HA ))
5.600 3.900 0.400 peak 628 weight 0.90269E+00 volume 0.24820E-03 ppm1 7.862 ppm2 4.728 CV 1
ASSI { 631}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HB2 ))
2.800 1.000 1.000 peak 631 weight 0.10000E+01 volume 0.36142E-02 ppm1 7.863 ppm2 2.146 CV 1
ASSI { 652}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HA2 ))
2.400 0.700 0.700 peak 652 weight 0.10000E+01 volume 0.33392E-02 ppm1 8.436 ppm2 4.457 CV 1
ASSI { 674}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HA ))
2.500 0.800 0.800 peak 674 weight 0.89244E+00 volume 0.29823E-02 ppm1 7.933 ppm2 4.555 CV 1
ASSI { 676}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HB2 ))
4.100 2.100 1.900 peak 676 weight 0.98088E+00 volume 0.28925E-03 ppm1 7.933 ppm2 2.853 CV 1
OR { 676}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HB1 ))
ASSI { 690}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 9 and name HN ))
6.000 4.700 0.000 peak 690 weight 0.59942E+00 volume 0.18217E-04 ppm1 7.906 ppm2 8.294 CV 1
ASSI { 693}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HB1 ))
3.200 1.300 1.300 peak 693 weight 0.10000E+01 volume 0.26889E-02 ppm1 7.904 ppm2 2.702 CV 1
ASSI { 706}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 59 and name HA ))
4.700 2.800 1.300 peak 706 weight 0.10000E+01 volume 0.27694E-03 ppm1 9.299 ppm2 3.591 CV 1
ASSI { 707}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HB1 ))
4.900 3.000 1.100 peak 707 weight 0.10000E+01 volume 0.26561E-03 ppm1 9.299 ppm2 3.371 CV 1
ASSI { 709}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HB2 ))
2.900 1.000 1.000 peak 709 weight 0.10000E+01 volume 0.15666E-02 ppm1 9.299 ppm2 2.546 CV 1
ASSI { 714}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HE2 ))
6.000 6.000 0.000 peak 714 weight 0.63415E+00 volume 0.13599E-04 ppm1 8.480 ppm2 2.922 CV 1
ASSI { 716}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HB1 ))
4.100 2.100 1.900 peak 716 weight 0.86391E+00 volume 0.41447E-03 ppm1 8.482 ppm2 1.634 CV 1
ASSI { 718}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 7 and name HN ))
4.300 2.300 1.700 peak 718 weight 0.86391E+00 volume 0.22801E-03 ppm1 8.485 ppm2 7.603 CV 1
ASSI { 720}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB1 ))
3.400 1.500 1.500 peak 720 weight 0.86391E+00 volume 0.89986E-03 ppm1 7.607 ppm2 2.173 CV 1
ASSI { 721}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 10 and name HB ))
4.900 3.000 1.100 peak 721 weight 0.92308E+00 volume 0.13286E-03 ppm1 7.612 ppm2 1.763 CV 1
ASSI { 727}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HN ))
6.000 6.000 0.000 peak 727 weight 0.65548E+00 volume 0.17664E-04 ppm1 7.905 ppm2 7.640 CV 1
ASSI { 733}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 26 and name HE3 ))
6.000 6.000 0.000 peak 733 weight 0.76359E+00 volume 0.33781E-04 ppm1 8.722 ppm2 7.419 CV 1
ASSI { 747}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HG2 ))
5.600 3.900 0.400 peak 747 weight 0.63384E+00 volume 0.13536E-04 ppm1 7.683 ppm2 2.411 CV 1
ASSI { 748}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HA1 ))
6.000 6.000 0.000 peak 748 weight 0.90955E+00 volume 0.50715E-04 ppm1 7.673 ppm2 3.297 CV 1
ASSI { 749}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 21 and name HA ))
5.300 3.500 0.700 peak 749 weight 0.86391E+00 volume 0.10702E-03 ppm1 7.680 ppm2 4.411 CV 1
ASSI { 755}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 25 and name HN ))
5.400 3.600 0.600 peak 755 weight 0.92308E+00 volume 0.81232E-04 ppm1 7.684 ppm2 7.234 CV 1
ASSI { 756}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 20 and name HD2 ))
5.400 3.700 0.600 peak 756 weight 0.92169E+00 volume 0.51991E-04 ppm1 7.980 ppm2 2.401 CV 1
ASSI { 757}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 22 and name HB2 ))
5.300 3.600 0.700 peak 757 weight 0.92308E+00 volume 0.91658E-04 ppm1 7.982 ppm2 2.058 CV 1
ASSI { 764}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 19 and name HA ))
6.000 5.000 0.000 peak 764 weight 0.86371E+00 volume 0.45744E-04 ppm1 9.156 ppm2 5.223 CV 1
ASSI { 766}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 19 and name HB2 ))
4.500 2.500 1.500 peak 766 weight 0.92308E+00 volume 0.15151E-03 ppm1 9.776 ppm2 3.411 CV 1
ASSI { 775}
(( segid " " and resid 49 and name HN ))
( segid " " and resid 48 and name HD% )
6.000 4.800 0.000 peak 775 weight 0.92308E+00 volume 0.11533E-03 ppm1 9.300 ppm2 6.883 CV 1
ASSI { 780}
(( segid " " and resid 51 and name HN ))
( segid " " and resid 56 and name HG2%)
6.000 6.000 0.000 peak 780 weight 0.73710E+00 volume 0.30256E-04 ppm1 8.943 ppm2 1.077 CV 1
ASSI { 782}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HB2 ))
4.500 2.600 1.500 peak 782 weight 0.86391E+00 volume 0.63457E-03 ppm1 8.946 ppm2 2.872 CV 1
ASSI { 785}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 52 and name HN ))
5.700 4.100 0.300 peak 785 weight 0.92308E+00 volume 0.13601E-03 ppm1 8.947 ppm2 8.430 CV 1
ASSI { 786}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 55 and name HN ))
4.100 2.100 1.900 peak 786 weight 0.86391E+00 volume 0.67384E-03 ppm1 8.946 ppm2 8.709 CV 1
ASSI { 787}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 58 and name HN ))
5.500 3.700 0.500 peak 787 weight 0.82801E+00 volume 0.17791E-03 ppm1 8.945 ppm2 9.211 CV 1
ASSI { 135}
(( segid " " and resid 12 and name HB1 ))
( segid " " and resid 4 and name HG2%)
4.400 2.400 1.600 peak 135 weight 0.10000E+01 volume 0.44677E-03 ppm1 2.731 ppm2 0.911 CV 1
ASSI { 213}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HA1 ))
2.900 1.000 1.000 peak 213 weight 0.10000E+01 volume 0.47699E-02 ppm1 8.447 ppm2 3.742 CV 1
ASSI { 218}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB1 ))
2.800 1.000 1.000 peak 218 weight 0.10000E+01 volume 0.11088E-02 ppm1 9.165 ppm2 2.936 CV 1
ASSI { 221}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HA ))
2.200 0.600 0.600 peak 221 weight 0.92308E+00 volume 0.83395E-02 ppm1 8.435 ppm2 4.817 CV 1
ASSI { 227}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HA2 ))
3.700 1.700 1.700 peak 227 weight 0.10000E+01 volume 0.89781E-03 ppm1 7.241 ppm2 3.336 CV 1
ASSI { 231}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HA ))
3.200 1.300 1.300 peak 231 weight 0.92308E+00 volume 0.16759E-02 ppm1 7.991 ppm2 4.199 CV 1
ASSI { 233}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB2 ))
4.200 2.200 1.800 peak 233 weight 0.92308E+00 volume 0.45835E-03 ppm1 7.990 ppm2 3.859 CV 1
ASSI { 234}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB1 ))
4.400 2.400 1.600 peak 234 weight 0.10000E+01 volume 0.25863E-03 ppm1 7.994 ppm2 4.018 CV 1
ASSI { 237}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HA ))
4.000 2.000 2.000 peak 237 weight 0.92308E+00 volume 0.37727E-03 ppm1 7.690 ppm2 3.935 CV 1
ASSI { 239}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB1 ))
3.700 1.700 1.700 peak 239 weight 0.10000E+01 volume 0.72660E-03 ppm1 7.692 ppm2 1.693 CV 1
ASSI { 243}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 21 and name HD1%)
5.900 4.400 0.100 peak 243 weight 0.10000E+01 volume 0.15239E-03 ppm1 8.911 ppm2 0.831 CV 1
ASSI { 245}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
3.800 1.800 1.800 peak 245 weight 0.10000E+01 volume 0.36384E-03 ppm1 8.911 ppm2 4.412 CV 1
ASSI { 251}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HG2 ))
4.200 2.200 1.800 peak 251 weight 0.92308E+00 volume 0.10637E-02 ppm1 8.731 ppm2 0.913 CV 1
ASSI { 252}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB2 ))
3.300 1.400 1.400 peak 252 weight 0.10000E+01 volume 0.54542E-03 ppm1 8.731 ppm2 1.190 CV 1
ASSI { 253}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB1 ))
3.700 1.700 1.700 peak 253 weight 0.92308E+00 volume 0.20655E-02 ppm1 8.731 ppm2 1.337 CV 1
ASSI { 256}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HD1 ))
3.500 1.600 1.600 peak 256 weight 0.10000E+01 volume 0.97439E-03 ppm1 8.733 ppm2 2.141 CV 1
ASSI { 257}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HD2 ))
3.900 1.900 1.900 peak 257 weight 0.10000E+01 volume 0.24622E-03 ppm1 8.730 ppm2 2.384 CV 1
ASSI { 266}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA ))
2.000 0.500 0.500 peak 266 weight 0.10000E+01 volume 0.76500E-02 ppm1 9.283 ppm2 5.267 CV 1
ASSI { 270}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
2.200 0.600 0.600 peak 270 weight 0.92308E+00 volume 0.86234E-02 ppm1 8.365 ppm2 4.682 CV 1
ASSI { 277}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA ))
2.000 0.500 0.500 peak 277 weight 0.10000E+01 volume 0.65294E-02 ppm1 9.305 ppm2 5.047 CV 1
ASSI { 279}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB2 ))
3.500 1.500 1.500 peak 279 weight 0.10000E+01 volume 0.18432E-02 ppm1 9.295 ppm2 3.167 CV 1
ASSI { 280}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB1 ))
2.100 0.500 0.500 peak 280 weight 0.10000E+01 volume 0.41891E-02 ppm1 9.304 ppm2 2.565 CV 1
ASSI { 292}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HG2 ))
5.700 4.000 0.300 peak 292 weight 0.10000E+01 volume 0.42890E-03 ppm1 8.183 ppm2 1.509 CV 1
ASSI { 293}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HG1 ))
4.600 2.600 1.400 peak 293 weight 0.10000E+01 volume 0.40548E-03 ppm1 8.186 ppm2 1.737 CV 1
ASSI { 294}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HD1 ))
6.000 5.600 0.000 peak 294 weight 0.92308E+00 volume 0.15173E-03 ppm1 8.186 ppm2 3.683 CV 1
ASSI { 299}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA ))
2.200 0.600 0.600 peak 299 weight 0.92308E+00 volume 0.58351E-02 ppm1 8.837 ppm2 4.911 CV 1
ASSI { 304}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB2 ))
5.000 3.100 1.000 peak 304 weight 0.86391E+00 volume 0.53893E-03 ppm1 8.841 ppm2 3.632 CV 1
ASSI { 319}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
3.500 1.500 1.500 peak 319 weight 0.92308E+00 volume 0.10064E-02 ppm1 7.620 ppm2 3.957 CV 1
ASSI { 321}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB2 ))
4.400 2.400 1.600 peak 321 weight 0.10000E+01 volume 0.22157E-03 ppm1 7.615 ppm2 2.150 CV 1
ASSI { 329}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HG1 ))
5.500 3.800 0.500 peak 329 weight 0.10000E+01 volume 0.14419E-03 ppm1 8.498 ppm2 1.234 CV 1
ASSI { 330}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HD1 ))
4.200 2.200 1.800 peak 330 weight 0.10000E+01 volume 0.77053E-04 ppm1 8.503 ppm2 1.384 CV 1
ASSI { 334}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HA ))
2.500 0.800 0.800 peak 334 weight 0.10000E+01 volume 0.32964E-02 ppm1 8.494 ppm2 4.344 CV 1
ASSI { 335}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 4 and name HG2%)
3.800 1.800 1.800 peak 335 weight 0.92308E+00 volume 0.43815E-02 ppm1 8.313 ppm2 0.928 CV 1
ASSI { 337}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB ))
3.200 1.300 1.300 peak 337 weight 0.92308E+00 volume 0.31022E-02 ppm1 8.316 ppm2 2.035 CV 1
ASSI { 342}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB2 ))
3.700 1.700 1.700 peak 342 weight 0.10000E+01 volume 0.89403E-03 ppm1 8.281 ppm2 2.586 CV 1
ASSI { 348}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HA ))
2.200 0.600 0.600 peak 348 weight 0.10000E+01 volume 0.51125E-02 ppm1 8.073 ppm2 3.896 CV 1
ASSI { 349}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HG2 ))
3.200 1.300 1.300 peak 349 weight 0.92308E+00 volume 0.17842E-02 ppm1 8.072 ppm2 1.763 CV 1
ASSI { 352}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HB1 ))
4.400 2.400 1.600 peak 352 weight 0.10000E+01 volume 0.85829E-03 ppm1 7.943 ppm2 2.875 CV 1
ASSI { 358}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 32 and name HG2%)
4.100 2.100 1.900 peak 358 weight 0.92308E+00 volume 0.85942E-03 ppm1 8.059 ppm2 1.089 CV 1
ASSI { 359}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HB ))
4.200 2.200 1.800 peak 359 weight 0.10000E+01 volume 0.10332E-02 ppm1 8.058 ppm2 4.092 CV 1
ASSI { 361}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HG2 ))
4.600 2.700 1.400 peak 361 weight 0.10000E+01 volume 0.37873E-03 ppm1 8.257 ppm2 2.260 CV 1
ASSI { 362}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HB2 ))
3.500 1.600 1.600 peak 362 weight 0.92308E+00 volume 0.17158E-02 ppm1 8.250 ppm2 2.031 CV 1
ASSI { 363}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HB1 ))
3.400 1.400 1.400 peak 363 weight 0.92308E+00 volume 0.13689E-02 ppm1 8.249 ppm2 1.911 CV 1
ASSI { 364}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HA ))
2.600 0.800 0.800 peak 364 weight 0.92308E+00 volume 0.37657E-02 ppm1 7.953 ppm2 4.334 CV 1
ASSI { 366}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 34 and name HB% )
3.600 1.600 1.600 peak 366 weight 0.10000E+01 volume 0.11807E-02 ppm1 7.953 ppm2 1.272 CV 1
ASSI { 373}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HA ))
4.900 3.000 1.100 peak 373 weight 0.10000E+01 volume 0.12238E-03 ppm1 7.803 ppm2 4.230 CV 1
ASSI { 374}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HB ))
3.700 1.700 1.700 peak 374 weight 0.10000E+01 volume 0.25231E-03 ppm1 7.803 ppm2 2.156 CV 1
ASSI { 375}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 35 and name HG1%)
4.800 2.800 1.200 peak 375 weight 0.10000E+01 volume 0.32026E-03 ppm1 7.805 ppm2 0.883 CV 1
ASSI { 378}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HA ))
3.100 1.200 1.200 peak 378 weight 0.10000E+01 volume 0.18268E-02 ppm1 8.665 ppm2 4.943 CV 1
ASSI { 379}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HB2 ))
3.400 1.500 1.500 peak 379 weight 0.10000E+01 volume 0.13250E-02 ppm1 8.668 ppm2 3.112 CV 1
ASSI { 380}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HB1 ))
4.200 2.200 1.800 peak 380 weight 0.92308E+00 volume 0.57681E-03 ppm1 8.664 ppm2 3.371 CV 1
ASSI { 386}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HB ))
3.400 1.400 1.400 peak 386 weight 0.10000E+01 volume 0.28400E-02 ppm1 8.828 ppm2 4.145 CV 1
ASSI { 388}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HA ))
2.200 0.600 0.600 peak 388 weight 0.10000E+01 volume 0.66505E-02 ppm1 8.827 ppm2 4.576 CV 1
ASSI { 400}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HB1 ))
4.300 2.400 1.700 peak 400 weight 0.10000E+01 volume 0.50062E-03 ppm1 8.740 ppm2 1.911 CV 1
ASSI { 401}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HD1 ))
3.500 1.500 1.500 peak 401 weight 0.10000E+01 volume 0.24900E-03 ppm1 8.735 ppm2 1.475 CV 1
ASSI { 405}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HB1 ))
4.500 2.500 1.500 peak 405 weight 0.10000E+01 volume 0.23668E-03 ppm1 7.871 ppm2 2.293 CV 1
ASSI { 406}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HG2 ))
6.000 5.200 0.000 peak 406 weight 0.10000E+01 volume 0.71863E-04 ppm1 7.872 ppm2 2.401 CV 1
ASSI { 412}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HB ))
3.700 1.700 1.700 peak 412 weight 0.10000E+01 volume 0.92237E-03 ppm1 8.370 ppm2 3.986 CV 1
ASSI { 415}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HA ))
3.400 1.400 1.400 peak 415 weight 0.86391E+00 volume 0.11063E-02 ppm1 8.370 ppm2 4.343 CV 1
ASSI { 419}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HB1 ))
4.400 2.500 1.600 peak 419 weight 0.10000E+01 volume 0.21553E-03 ppm1 8.436 ppm2 2.496 CV 1
ASSI { 420}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HB2 ))
5.300 3.500 0.700 peak 420 weight 0.92308E+00 volume 0.18887E-03 ppm1 8.436 ppm2 3.174 CV 1
ASSI { 424}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HB1 ))
5.300 3.500 0.700 peak 424 weight 0.10000E+01 volume 0.27883E-03 ppm1 8.955 ppm2 2.875 CV 1
ASSI { 428}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HA ))
2.600 0.900 0.900 peak 428 weight 0.92308E+00 volume 0.23774E-02 ppm1 8.863 ppm2 4.608 CV 1
ASSI { 429}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HB ))
4.500 2.600 1.500 peak 429 weight 0.10000E+01 volume 0.35546E-03 ppm1 8.864 ppm2 3.958 CV 1
ASSI { 433}
(( segid " " and resid 50 and name HN ))
( segid " " and resid 49 and name HG2%)
4.200 2.200 1.800 peak 433 weight 0.10000E+01 volume 0.38977E-03 ppm1 8.861 ppm2 1.128 CV 1
ASSI { 438}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HA ))
2.000 0.500 0.500 peak 438 weight 0.86391E+00 volume 0.97987E-02 ppm1 9.312 ppm2 5.069 CV 1
ASSI { 441}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HA ))
2.300 0.700 0.700 peak 441 weight 0.10000E+01 volume 0.82037E-02 ppm1 8.341 ppm2 4.439 CV 1
ASSI { 442}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HA ))
3.400 1.400 1.400 peak 442 weight 0.10000E+01 volume 0.66574E-03 ppm1 8.856 ppm2 4.208 CV 1
ASSI { 445}
(( segid " " and resid 47 and name HN ))
( segid " " and resid 46 and name HB% )
3.400 1.400 1.400 peak 445 weight 0.10000E+01 volume 0.20455E-02 ppm1 8.854 ppm2 1.369 CV 1
ASSI { 446}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HB2 ))
3.200 1.300 1.300 peak 446 weight 0.10000E+01 volume 0.90400E-03 ppm1 8.341 ppm2 2.197 CV 1
ASSI { 447}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HG1 ))
4.300 2.300 1.700 peak 447 weight 0.10000E+01 volume 0.14586E-02 ppm1 8.341 ppm2 1.655 CV 1
ASSI { 448}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HA ))
2.100 0.600 0.600 peak 448 weight 0.92308E+00 volume 0.50728E-02 ppm1 9.261 ppm2 5.110 CV 1
ASSI { 452}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HB2 ))
3.400 1.500 1.500 peak 452 weight 0.10000E+01 volume 0.11091E-02 ppm1 8.856 ppm2 1.811 CV 1
ASSI { 453}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HG1 ))
4.200 2.200 1.800 peak 453 weight 0.10000E+01 volume 0.13607E-02 ppm1 8.855 ppm2 2.118 CV 1
ASSI { 455}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HA ))
2.300 0.600 0.600 peak 455 weight 0.10000E+01 volume 0.56710E-02 ppm1 8.855 ppm2 4.833 CV 1
ASSI { 460}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HA ))
2.100 0.500 0.500 peak 460 weight 0.92308E+00 volume 0.66056E-02 ppm1 8.249 ppm2 3.610 CV 1
ASSI { 468}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HG2 ))
4.000 2.000 2.000 peak 468 weight 0.86391E+00 volume 0.70967E-03 ppm1 8.282 ppm2 1.267 CV 1
ASSI { 469}
(( segid " " and resid 42 and name HN ))
( segid " " and resid 41 and name HD1%)
4.700 2.700 1.300 peak 469 weight 0.91537E+00 volume 0.40602E-04 ppm1 8.668 ppm2 0.749 CV 1
ASSI { 471}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HG11))
4.800 2.900 1.200 peak 471 weight 0.10000E+01 volume 0.24888E-03 ppm1 8.676 ppm2 0.914 CV 1
ASSI { 472}
(( segid " " and resid 42 and name HN ))
( segid " " and resid 41 and name HG2%)
4.300 2.300 1.700 peak 472 weight 0.92308E+00 volume 0.30490E-03 ppm1 8.681 ppm2 0.584 CV 1
ASSI { 473}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HB ))
3.600 1.600 1.600 peak 473 weight 0.92308E+00 volume 0.67663E-03 ppm1 8.671 ppm2 1.627 CV 1
ASSI { 474}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HA ))
3.600 1.600 1.600 peak 474 weight 0.92308E+00 volume 0.11680E-02 ppm1 8.675 ppm2 4.075 CV 1
ASSI { 479}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HB2 ))
5.200 3.300 0.800 peak 479 weight 0.92308E+00 volume 0.22367E-03 ppm1 8.248 ppm2 3.270 CV 1
ASSI { 480}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HB1 ))
4.000 2.000 2.000 peak 480 weight 0.10000E+01 volume 0.79495E-03 ppm1 8.247 ppm2 3.104 CV 1
ASSI { 484}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HA ))
2.100 0.500 0.500 peak 484 weight 0.92308E+00 volume 0.12392E-01 ppm1 8.251 ppm2 4.739 CV 1
ASSI { 491}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HB1 ))
5.400 3.600 0.600 peak 491 weight 0.10000E+01 volume 0.92515E-04 ppm1 7.948 ppm2 1.765 CV 1
ASSI { 492}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HB2 ))
5.100 3.300 0.900 peak 492 weight 0.10000E+01 volume 0.11690E-03 ppm1 7.951 ppm2 1.891 CV 1
ASSI { 493}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HG1 ))
5.400 3.600 0.600 peak 493 weight 0.86391E+00 volume 0.14359E-03 ppm1 7.945 ppm2 2.068 CV 1
ASSI { 502}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 18 and name HA ))
3.900 1.900 1.900 peak 502 weight 0.10000E+01 volume 0.54755E-03 ppm1 9.783 ppm2 5.267 CV 1
ASSI { 504}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 28 and name HA ))
3.300 1.400 1.400 peak 504 weight 0.10000E+01 volume 0.15483E-02 ppm1 9.287 ppm2 5.643 CV 1
ASSI { 506}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HN ))
4.700 2.800 1.300 peak 506 weight 0.10000E+01 volume 0.37310E-03 ppm1 9.783 ppm2 8.452 CV 1
ASSI { 508}
(( segid " " and resid 29 and name HN ))
( segid " " and resid 16 and name HD% )
4.000 2.000 2.000 peak 508 weight 0.10000E+01 volume 0.55073E-03 ppm1 9.784 ppm2 6.687 CV 1
OR { 508}
(( segid " " and resid 29 and name HN ))
( segid " " and resid 16 and name HD% )
ASSI { 517}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 17 and name HB ))
4.900 3.000 1.100 peak 517 weight 0.10000E+01 volume 0.33175E-03 ppm1 9.782 ppm2 3.889 CV 1
ASSI { 518}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 16 and name HA ))
5.200 3.400 0.800 peak 518 weight 0.10000E+01 volume 0.21965E-03 ppm1 9.784 ppm2 5.023 CV 1
ASSI { 519}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 30 and name HD1 ))
5.500 3.800 0.500 peak 519 weight 0.10000E+01 volume 0.14753E-03 ppm1 9.787 ppm2 3.754 CV 1
ASSI { 521}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 16 and name HB2 ))
5.100 3.300 0.900 peak 521 weight 0.10000E+01 volume 0.47777E-03 ppm1 9.784 ppm2 3.179 CV 1
ASSI { 522}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 17 and name HA ))
6.000 4.500 0.000 peak 522 weight 0.10000E+01 volume 0.88980E-04 ppm1 9.787 ppm2 4.687 CV 1
ASSI { 523}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 16 and name HB1 ))
3.400 1.500 1.500 peak 523 weight 0.92308E+00 volume 0.73892E-03 ppm1 9.782 ppm2 2.565 CV 1
ASSI { 524}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 12 and name HB1 ))
3.400 1.400 1.400 peak 524 weight 0.91679E+00 volume 0.29626E-03 ppm1 9.784 ppm2 2.751 CV 1
ASSI { 525}
(( segid " " and resid 29 and name HN ))
( segid " " and resid 17 and name HG2%)
3.600 1.600 1.600 peak 525 weight 0.10000E+01 volume 0.62312E-03 ppm1 9.784 ppm2 1.102 CV 1
ASSI { 526}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 58 and name HB2 ))
4.200 2.200 1.800 peak 526 weight 0.92308E+00 volume 0.78994E-03 ppm1 9.311 ppm2 1.813 CV 1
ASSI { 527}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 57 and name HB1 ))
5.000 3.100 1.000 peak 527 weight 0.92308E+00 volume 0.82198E-03 ppm1 9.267 ppm2 2.710 CV 1
ASSI { 528}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 18 and name HA ))
5.100 3.300 0.900 peak 528 weight 0.10000E+01 volume 0.20330E-03 ppm1 9.165 ppm2 5.264 CV 1
ASSI { 529}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 21 and name HB2 ))
4.400 2.400 1.600 peak 529 weight 0.10000E+01 volume 0.29571E-03 ppm1 9.167 ppm2 1.687 CV 1
ASSI { 530}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 21 and name HG ))
3.300 1.400 1.400 peak 530 weight 0.10000E+01 volume 0.11557E-02 ppm1 9.164 ppm2 1.588 CV 1
ASSI { 532}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 20 and name HG2 ))
3.600 1.700 1.700 peak 532 weight 0.10000E+01 volume 0.18395E-03 ppm1 9.160 ppm2 0.933 CV 1
ASSI { 533}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 21 and name HD1%)
3.400 1.500 1.500 peak 533 weight 0.92308E+00 volume 0.16532E-02 ppm1 9.164 ppm2 0.826 CV 1
ASSI { 537}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HG2 ))
5.800 4.200 0.200 peak 537 weight 0.10000E+01 volume 0.14759E-03 ppm1 9.286 ppm2 0.914 CV 1
ASSI { 538}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 20 and name HD1 ))
4.400 2.400 1.600 peak 538 weight 0.10000E+01 volume 0.57994E-04 ppm1 9.164 ppm2 2.129 CV 1
ASSI { 539}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 20 and name HB2 ))
4.400 2.400 1.600 peak 539 weight 0.92308E+00 volume 0.59814E-04 ppm1 9.163 ppm2 1.177 CV 1
ASSI { 540}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 58 and name HG2 ))
4.300 2.300 1.700 peak 540 weight 0.10000E+01 volume 0.44838E-03 ppm1 8.954 ppm2 2.306 CV 1
ASSI { 541}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 57 and name HA ))
3.900 1.900 1.900 peak 541 weight 0.10000E+01 volume 0.10552E-02 ppm1 8.954 ppm2 5.104 CV 1
ASSI { 544}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 4 and name HB ))
3.800 1.800 1.800 peak 544 weight 0.92308E+00 volume 0.40527E-03 ppm1 8.836 ppm2 2.042 CV 1
ASSI { 546}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 4 and name HG1%)
4.100 2.100 1.900 peak 546 weight 0.92308E+00 volume 0.84832E-03 ppm1 8.839 ppm2 0.924 CV 1
ASSI { 547}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 5 and name HA ))
3.500 1.500 1.500 peak 547 weight 0.92308E+00 volume 0.55012E-03 ppm1 8.836 ppm2 4.351 CV 1
ASSI { 549}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 50 and name HB2 ))
4.400 2.400 1.600 peak 549 weight 0.82486E+00 volume 0.54751E-03 ppm1 8.828 ppm2 3.075 CV 1
ASSI { 554}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 51 and name HB2 ))
4.700 2.700 1.300 peak 554 weight 0.10000E+01 volume 0.40584E-03 ppm1 8.734 ppm2 3.187 CV 1
ASSI { 556}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 56 and name HB ))
4.800 2.900 1.200 peak 556 weight 0.90709E+00 volume 0.51146E-03 ppm1 8.739 ppm2 4.132 CV 1
ASSI { 557}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 51 and name HB1 ))
5.800 4.200 0.200 peak 557 weight 0.10000E+01 volume 0.15576E-03 ppm1 8.741 ppm2 2.495 CV 1
ASSI { 561}
(( segid " " and resid 55 and name HN ))
( segid " " and resid 56 and name HG2%)
5.800 4.200 0.200 peak 561 weight 0.10000E+01 volume 0.20113E-03 ppm1 8.741 ppm2 1.051 CV 1
ASSI { 564}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 23 and name HB2 ))
6.000 5.100 0.000 peak 564 weight 0.10000E+01 volume 0.10194E-03 ppm1 8.732 ppm2 3.847 CV 1
ASSI { 568}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 55 and name HA1 ))
4.700 2.800 1.300 peak 568 weight 0.92308E+00 volume 0.41133E-03 ppm1 8.669 ppm2 3.586 CV 1
ASSI { 573}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 11 and name HA ))
4.700 2.800 1.300 peak 573 weight 0.87023E+00 volume 0.35570E-03 ppm1 8.494 ppm2 4.924 CV 1
ASSI { 577}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 6 and name HB2 ))
4.500 2.500 1.500 peak 577 weight 0.10000E+01 volume 0.47964E-03 ppm1 8.462 ppm2 2.144 CV 1
ASSI { 580}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 13 and name HD1 ))
4.700 2.700 1.300 peak 580 weight 0.10000E+01 volume 0.73522E-03 ppm1 8.277 ppm2 3.677 CV 1
ASSI { 583}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 27 and name HN ))
2.100 0.600 0.600 peak 583 weight 0.92308E+00 volume 0.59348E-02 ppm1 9.282 ppm2 9.178 CV 1
ASSI { 584}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 56 and name HN ))
3.700 1.700 1.700 peak 584 weight 0.10000E+01 volume 0.31758E-03 ppm1 8.958 ppm2 7.206 CV 1
ASSI { 600}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 24 and name HN ))
4.000 2.000 2.000 peak 600 weight 0.10000E+01 volume 0.61716E-03 ppm1 8.732 ppm2 8.002 CV 1
ASSI { 614}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 21 and name HD2%)
5.400 3.700 0.600 peak 614 weight 0.10000E+01 volume 0.29274E-03 ppm1 7.690 ppm2 0.822 CV 1
ASSI { 616}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 43 and name HB1 ))
3.900 1.900 1.900 peak 616 weight 0.89741E+00 volume 0.67863E-03 ppm1 7.803 ppm2 2.972 CV 1
ASSI { 617}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 43 and name HB2 ))
4.000 2.000 2.000 peak 617 weight 0.91346E+00 volume 0.98810E-03 ppm1 7.804 ppm2 3.174 CV 1
ASSI { 618}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 51 and name HB1 ))
4.800 2.900 1.200 peak 618 weight 0.10000E+01 volume 0.23804E-03 ppm1 7.869 ppm2 2.489 CV 1
ASSI { 619}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 51 and name HB2 ))
4.400 2.400 1.600 peak 619 weight 0.10000E+01 volume 0.36226E-03 ppm1 7.870 ppm2 3.188 CV 1
ASSI { 620}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 55 and name HA1 ))
5.800 4.200 0.200 peak 620 weight 0.10000E+01 volume 0.45013E-03 ppm1 7.873 ppm2 3.576 CV 1
ASSI { 621}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 55 and name HA2 ))
5.200 3.300 0.800 peak 621 weight 0.10000E+01 volume 0.53232E-03 ppm1 7.876 ppm2 3.976 CV 1
ASSI { 622}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 28 and name HN ))
4.500 2.500 1.500 peak 622 weight 0.10000E+01 volume 0.95475E-03 ppm1 9.165 ppm2 8.460 CV 1
ASSI { 623}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 21 and name HN ))
4.400 2.400 1.600 peak 623 weight 0.10000E+01 volume 0.59970E-03 ppm1 9.164 ppm2 8.733 CV 1
ASSI { 626}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 31 and name HN ))
3.700 1.700 1.700 peak 626 weight 0.10000E+01 volume 0.65708E-03 ppm1 9.298 ppm2 8.075 CV 1
ASSI { 629}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HN ))
4.600 2.700 1.400 peak 629 weight 0.10000E+01 volume 0.40880E-03 ppm1 9.311 ppm2 8.474 CV 1
ASSI { 631}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HN ))
4.500 2.500 1.500 peak 631 weight 0.10000E+01 volume 0.13127E-03 ppm1 8.909 ppm2 7.668 CV 1
ASSI { 633}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 29 and name HB1 ))
3.400 1.500 1.500 peak 633 weight 0.92308E+00 volume 0.17382E-02 ppm1 9.299 ppm2 2.857 CV 1
ASSI { 634}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 27 and name HA2 ))
5.600 3.900 0.400 peak 634 weight 0.10000E+01 volume 0.18282E-03 ppm1 9.285 ppm2 4.479 CV 1
ASSI { 635}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 27 and name HA1 ))
5.200 3.400 0.800 peak 635 weight 0.10000E+01 volume 0.10341E-03 ppm1 9.285 ppm2 3.740 CV 1
ASSI { 636}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 21 and name HN ))
3.700 1.700 1.700 peak 636 weight 0.10000E+01 volume 0.37658E-03 ppm1 7.239 ppm2 8.735 CV 1
ASSI { 643}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HA ))
2.200 0.600 0.600 peak 643 weight 0.86391E+00 volume 0.72717E-02 ppm1 8.159 ppm2 4.233 CV 1
ASSI { 644}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HG ))
5.700 4.100 0.300 peak 644 weight 0.92308E+00 volume 0.18016E-03 ppm1 8.157 ppm2 1.482 CV 1
ASSI { 645}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HB2 ))
4.900 3.000 1.100 peak 645 weight 0.10000E+01 volume 0.28267E-03 ppm1 8.158 ppm2 1.572 CV 1
ASSI { 648}
(( segid " " and resid 66 and name HN ))
( segid " " and resid 65 and name HD1%)
4.700 2.800 1.300 peak 648 weight 0.92308E+00 volume 0.56227E-03 ppm1 8.161 ppm2 0.861 CV 1
ASSI { 656}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 43 and name HA ))
3.400 1.400 1.400 peak 656 weight 0.10000E+01 volume 0.12632E-02 ppm1 7.804 ppm2 4.487 CV 1
ASSI { 659}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 35 and name HB ))
3.500 1.600 1.600 peak 659 weight 0.10000E+01 volume 0.15103E-02 ppm1 8.167 ppm2 2.158 CV 1
ASSI { 660}
(( segid " " and resid 43 and name HN ))
( segid " " and resid 35 and name HG1%)
4.200 2.200 1.800 peak 660 weight 0.10000E+01 volume 0.11900E-02 ppm1 8.174 ppm2 0.912 CV 1
ASSI { 665}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 22 and name HB1 ))
3.500 1.500 1.500 peak 665 weight 0.10000E+01 volume 0.72334E-03 ppm1 7.991 ppm2 1.690 CV 1
OR { 665}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 22 and name HB2 ))
ASSI { 666}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 22 and name HA ))
3.600 1.600 1.600 peak 666 weight 0.92308E+00 volume 0.92729E-03 ppm1 7.989 ppm2 3.930 CV 1
ASSI { 679}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 42 and name HB2 ))
5.500 3.800 0.500 peak 679 weight 0.10000E+01 volume 0.30747E-03 ppm1 7.945 ppm2 3.250 CV 1
ASSI { 684}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HB2 ))
3.200 1.300 1.300 peak 684 weight 0.92308E+00 volume 0.13951E-02 ppm1 7.943 ppm2 2.728 CV 1
ASSI { 685}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HA ))
2.300 0.600 0.600 peak 685 weight 0.10000E+01 volume 0.78820E-02 ppm1 8.056 ppm2 4.196 CV 1
ASSI { 694}
(( segid " " and resid 26 and name HE3 ))
(( segid " " and resid 20 and name HD1 ))
3.700 1.700 1.700 peak 694 weight 0.92308E+00 volume 0.12902E-02 ppm1 7.437 ppm2 2.133 CV 1
ASSI { 695}
(( segid " " and resid 26 and name HE3 ))
(( segid " " and resid 6 and name HB1 ))
3.300 1.300 1.300 peak 695 weight 0.92308E+00 volume 0.35904E-03 ppm1 7.430 ppm2 2.224 CV 1
ASSI { 696}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 7 and name HB1 ))
2.900 1.000 1.000 peak 696 weight 0.10000E+01 volume 0.21774E-02 ppm1 7.331 ppm2 2.704 CV 1
ASSI { 700}
(( segid " " and resid 26 and name HH2 ))
(( segid " " and resid 20 and name HB2 ))
3.700 1.700 1.700 peak 700 weight 0.92308E+00 volume 0.15750E-03 ppm1 7.148 ppm2 1.183 CV 1
ASSI { 703}
(( segid " " and resid 40 and name HD2 ))
( segid " " and resid 41 and name HD1%)
4.900 2.900 1.100 peak 703 weight 0.93289E+00 volume 0.24277E-03 ppm1 7.157 ppm2 0.739 CV 1
ASSI { 705}
(( segid " " and resid 26 and name HE3 ))
(( segid " " and resid 20 and name HG1 ))
5.000 3.100 1.000 peak 705 weight 0.10000E+01 volume 0.48325E-03 ppm1 7.436 ppm2 0.841 CV 1
ASSI { 706}
(( segid " " and resid 26 and name HE3 ))
( segid " " and resid 10 and name HG2%)
4.800 2.900 1.200 peak 706 weight 0.10000E+01 volume 0.36306E-03 ppm1 7.429 ppm2 0.762 CV 1
ASSI { 708}
(( segid " " and resid 26 and name HD1 ))
( segid " " and resid 10 and name HG2%)
4.500 2.600 1.500 peak 708 weight 0.10000E+01 volume 0.46184E-03 ppm1 7.331 ppm2 0.943 CV 1
ASSI { 709}
(( segid " " and resid 26 and name HD1 ))
( segid " " and resid 25 and name HB% )
3.400 1.500 1.500 peak 709 weight 0.10000E+01 volume 0.27350E-03 ppm1 7.331 ppm2 1.322 CV 1
ASSI { 711}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 9 and name HB1 ))
4.100 2.100 1.900 peak 711 weight 0.92308E+00 volume 0.87100E-04 ppm1 7.331 ppm2 1.893 CV 1
ASSI { 713}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 20 and name HD1 ))
3.500 1.500 1.500 peak 713 weight 0.92308E+00 volume 0.56122E-03 ppm1 7.330 ppm2 2.133 CV 1
ASSI { 714}
(( segid " " and resid 26 and name HH2 ))
(( segid " " and resid 20 and name HD1 ))
3.600 1.600 1.600 peak 714 weight 0.10000E+01 volume 0.20594E-03 ppm1 7.147 ppm2 2.130 CV 1
ASSI { 715}
( segid " " and resid 48 and name HE% )
(( segid " " and resid 59 and name HA ))
3.800 1.800 1.800 peak 715 weight 0.10000E+01 volume 0.75529E-03 ppm1 7.293 ppm2 3.608 CV 1
ASSI { 716}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 59 and name HA ))
2.900 1.100 1.100 peak 716 weight 0.10000E+01 volume 0.10743E-02 ppm1 6.891 ppm2 3.613 CV 1
ASSI { 720}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 57 and name HB1 ))
3.900 1.900 1.900 peak 720 weight 0.10000E+01 volume 0.11751E-02 ppm1 6.890 ppm2 2.989 CV 1
ASSI { 722}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 57 and name HB2 ))
3.100 1.200 1.200 peak 722 weight 0.92308E+00 volume 0.22101E-02 ppm1 6.891 ppm2 2.708 CV 1
ASSI { 725}
( segid " " and resid 48 and name HE% )
(( segid " " and resid 57 and name HB2 ))
5.300 3.500 0.700 peak 725 weight 0.10000E+01 volume 0.37098E-03 ppm1 7.294 ppm2 2.712 CV 1
ASSI { 726}
( segid " " and resid 48 and name HE% )
(( segid " " and resid 45 and name HD1 ))
6.000 4.400 0.000 peak 726 weight 0.10000E+01 volume 0.28384E-03 ppm1 7.296 ppm2 2.847 CV 1
ASSI { 728}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 45 and name HB2 ))
3.700 1.700 1.700 peak 728 weight 0.10000E+01 volume 0.48669E-03 ppm1 6.890 ppm2 2.200 CV 1
ASSI { 730}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 59 and name HG1 ))
4.100 2.100 1.900 peak 730 weight 0.10000E+01 volume 0.56597E-03 ppm1 6.891 ppm2 1.810 CV 1
ASSI { 732}
( segid " " and resid 48 and name HE% )
(( segid " " and resid 59 and name HB2 ))
3.700 1.700 1.700 peak 732 weight 0.86391E+00 volume 0.22429E-02 ppm1 7.291 ppm2 1.653 CV 1
ASSI { 733}
( segid " " and resid 48 and name HE% )
(( segid " " and resid 59 and name HG2 ))
2.900 1.000 1.000 peak 733 weight 0.86391E+00 volume 0.22562E-02 ppm1 7.290 ppm2 1.725 CV 1
ASSI { 734}
( segid " " and resid 48 and name HE% )
(( segid " " and resid 59 and name HG1 ))
3.500 1.500 1.500 peak 734 weight 0.86391E+00 volume 0.78485E-03 ppm1 7.292 ppm2 1.817 CV 1
ASSI { 735}
( segid " " and resid 48 and name HE% )
(( segid " " and resid 59 and name HB1 ))
3.900 1.900 1.900 peak 735 weight 0.10000E+01 volume 0.20668E-02 ppm1 7.291 ppm2 1.365 CV 1
ASSI { 747}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 17 and name HB ))
3.000 1.100 1.100 peak 747 weight 0.10000E+01 volume 0.11723E-02 ppm1 7.086 ppm2 3.882 CV 1
ASSI { 748}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 17 and name HB ))
3.100 1.200 1.200 peak 748 weight 0.10000E+01 volume 0.15789E-02 ppm1 7.243 ppm2 3.874 CV 1
OR { 748}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 17 and name HB ))
ASSI { 749}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 30 and name HD2 ))
5.000 3.100 1.000 peak 749 weight 0.92308E+00 volume 0.60179E-03 ppm1 6.762 ppm2 3.896 CV 1
ASSI { 750}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 33 and name HB1 ))
5.800 4.100 0.200 peak 750 weight 0.92308E+00 volume 0.19681E-03 ppm1 7.241 ppm2 1.881 CV 1
OR { 750}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 33 and name HB1 ))
ASSI { 751}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 33 and name HB2 ))
5.500 3.800 0.500 peak 751 weight 0.92308E+00 volume 0.18684E-03 ppm1 7.245 ppm2 2.058 CV 1
OR { 751}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 33 and name HB2 ))
ASSI { 752}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 33 and name HG2 ))
4.400 2.400 1.600 peak 752 weight 0.10000E+01 volume 0.80226E-03 ppm1 7.241 ppm2 2.253 CV 1
OR { 752}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 33 and name HG2 ))
ASSI { 753}
( segid " " and resid 31 and name HE% )
( segid " " and resid 34 and name HB% )
5.300 3.500 0.700 peak 753 weight 0.10000E+01 volume 0.21410E-03 ppm1 7.241 ppm2 1.246 CV 1
OR { 753}
( segid " " and resid 31 and name HE% )
( segid " " and resid 34 and name HB% )
ASSI { 755}
( segid " " and resid 31 and name HD% )
( segid " " and resid 17 and name HG2%)
3.300 1.400 1.400 peak 755 weight 0.10000E+01 volume 0.18999E-02 ppm1 7.086 ppm2 1.099 CV 1
OR { 755}
( segid " " and resid 31 and name HD% )
( segid " " and resid 17 and name HG2%)
ASSI { 757}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 21 and name HB2 ))
2.900 1.000 1.000 peak 757 weight 0.10000E+01 volume 0.17927E-02 ppm1 7.241 ppm2 1.690 CV 1
ASSI { 760}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 12 and name HB2 ))
5.400 3.600 0.600 peak 760 weight 0.80966E+00 volume 0.14383E-03 ppm1 6.680 ppm2 2.383 CV 1
OR { 760}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 12 and name HB2 ))
ASSI { 765}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 30 and name HD2 ))
3.800 1.800 1.800 peak 765 weight 0.10000E+01 volume 0.20304E-02 ppm1 6.682 ppm2 3.895 CV 1
ASSI { 772}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 28 and name HB1 ))
2.100 0.600 0.600 peak 772 weight 0.92308E+00 volume 0.52683E-02 ppm1 6.683 ppm2 2.659 CV 1
ASSI { 773}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 28 and name HB1 ))
4.800 2.900 1.200 peak 773 weight 0.10000E+01 volume 0.44229E-03 ppm1 6.757 ppm2 2.656 CV 1
ASSI { 776}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 30 and name HB2 ))
4.200 2.200 1.800 peak 776 weight 0.10000E+01 volume 0.14988E-02 ppm1 6.683 ppm2 1.972 CV 1
ASSI { 778}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 13 and name HG1 ))
2.900 1.100 1.100 peak 778 weight 0.10000E+01 volume 0.91527E-03 ppm1 6.682 ppm2 1.739 CV 1
ASSI { 779}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 13 and name HG1 ))
3.100 1.200 1.200 peak 779 weight 0.92308E+00 volume 0.87831E-03 ppm1 6.757 ppm2 1.742 CV 1
ASSI { 780}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 30 and name HG2 ))
4.600 2.700 1.400 peak 780 weight 0.92308E+00 volume 0.12044E-02 ppm1 6.757 ppm2 1.808 CV 1
ASSI { 787}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 28 and name HA ))
4.800 2.900 1.200 peak 787 weight 0.10000E+01 volume 0.39964E-03 ppm1 6.681 ppm2 5.642 CV 1
ASSI { 788}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 14 and name HA ))
4.600 2.600 1.400 peak 788 weight 0.10000E+01 volume 0.30487E-03 ppm1 6.679 ppm2 4.470 CV 1
ASSI { 789}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 13 and name HA ))
3.300 1.400 1.400 peak 789 weight 0.10000E+01 volume 0.33282E-03 ppm1 6.684 ppm2 4.659 CV 1
ASSI { 790}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 15 and name HA1 ))
5.300 3.500 0.700 peak 790 weight 0.10000E+01 volume 0.42248E-03 ppm1 6.757 ppm2 4.220 CV 1
ASSI { 791}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 47 and name HA1 ))
2.900 1.100 1.100 peak 791 weight 0.10000E+01 volume 0.67393E-03 ppm1 6.891 ppm2 4.289 CV 1
ASSI { 792}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 60 and name HA ))
5.900 4.400 0.100 peak 792 weight 0.10000E+01 volume 0.23556E-03 ppm1 6.890 ppm2 4.201 CV 1
ASSI { 793}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 45 and name HA ))
3.700 1.700 1.700 peak 793 weight 0.10000E+01 volume 0.17085E-03 ppm1 6.889 ppm2 4.438 CV 1
ASSI { 797}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 13 and name HD1 ))
3.300 1.300 1.300 peak 797 weight 0.92308E+00 volume 0.76639E-03 ppm1 6.680 ppm2 3.696 CV 1
ASSI { 798}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 15 and name HA2 ))
4.600 2.700 1.400 peak 798 weight 0.10000E+01 volume 0.22229E-03 ppm1 6.756 ppm2 3.431 CV 1
ASSI { 799}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 15 and name HA2 ))
3.900 1.900 1.900 peak 799 weight 0.10000E+01 volume 0.49792E-03 ppm1 6.682 ppm2 3.429 CV 1
ASSI { 806}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 26 and name HZ3 ))
3.200 1.300 1.300 peak 806 weight 0.10000E+01 volume 0.67558E-03 ppm1 8.804 ppm2 6.806 CV 1
ASSI { 808}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 16 and name HD% )
4.100 2.100 1.900 peak 808 weight 0.10000E+01 volume 0.74963E-03 ppm1 9.297 ppm2 6.688 CV 1
OR { 808}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 16 and name HD% )
ASSI { 811}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 24 and name HA2 ))
6.000 5.700 0.000 peak 811 weight 0.10000E+01 volume 0.72991E-04 ppm1 8.733 ppm2 3.335 CV 1
ASSI { 812}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 19 and name HB2 ))
6.000 6.000 0.000 peak 812 weight 0.10000E+01 volume 0.52004E-04 ppm1 8.730 ppm2 3.435 CV 1
ASSI { 813}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 23 and name HN ))
4.600 2.600 1.400 peak 813 weight 0.10000E+01 volume 0.10675E-03 ppm1 8.735 ppm2 7.673 CV 1
ASSI { 814}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 20 and name HD2 ))
5.300 3.500 0.700 peak 814 weight 0.92308E+00 volume 0.87583E-04 ppm1 8.910 ppm2 2.401 CV 1
ASSI { 815}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 20 and name HD2 ))
5.000 3.100 1.000 peak 815 weight 0.10000E+01 volume 0.66957E-04 ppm1 7.686 ppm2 2.409 CV 1
ASSI { 816}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 21 and name HB2 ))
3.700 1.700 1.700 peak 816 weight 0.10000E+01 volume 0.72660E-03 ppm1 7.692 ppm2 1.693 CV 1
ASSI { 822}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HN ))
3.200 1.300 1.300 peak 822 weight 0.10000E+01 volume 0.89015E-03 ppm1 7.992 ppm2 7.683 CV 1
ASSI { 388}
(( segid " " and resid 26 and name HD1 ))
( segid " " and resid 10 and name HG1%)
3.300 1.400 1.400 peak 388 weight 0.10000E+01 volume 0.31612E-03 ppm1 7.332 ppm2 0.749 CV 1
ASSI { 390}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 10 and name HB ))
4.300 2.300 1.700 peak 390 weight 0.10000E+01 volume 0.35919E-03 ppm1 7.333 ppm2 1.769 CV 1
ASSI { 393}
(( segid " " and resid 26 and name HZ2 ))
(( segid " " and resid 7 and name HB1 ))
3.800 1.800 1.800 peak 393 weight 0.92308E+00 volume 0.14274E-03 ppm1 7.442 ppm2 2.701 CV 1
ASSI { 394}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 25 and name HA ))
3.600 1.600 1.600 peak 394 weight 0.10000E+01 volume 0.86752E-03 ppm1 7.332 ppm2 4.286 CV 1
ASSI { 395}
(( segid " " and resid 26 and name HE3 ))
(( segid " " and resid 20 and name HA ))
2.900 1.000 1.000 peak 395 weight 0.92308E+00 volume 0.17428E-02 ppm1 7.433 ppm2 3.985 CV 1
ASSI { 396}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 20 and name HA ))
5.800 4.200 0.200 peak 396 weight 0.10000E+01 volume 0.12937E-03 ppm1 7.332 ppm2 3.981 CV 1
ASSI { 398}
(( segid " " and resid 26 and name HE3 ))
(( segid " " and resid 20 and name HG2 ))
3.100 1.200 1.200 peak 398 weight 0.92308E+00 volume 0.87975E-03 ppm1 7.441 ppm2 0.907 CV 1
ASSI { 399}
(( segid " " and resid 26 and name HE3 ))
(( segid " " and resid 20 and name HB2 ))
3.200 1.300 1.300 peak 399 weight 0.10000E+01 volume 0.34414E-03 ppm1 7.436 ppm2 1.189 CV 1
ASSI { 400}
(( segid " " and resid 26 and name HE3 ))
(( segid " " and resid 20 and name HB1 ))
4.800 2.900 1.200 peak 400 weight 0.10000E+01 volume 0.41170E-03 ppm1 7.435 ppm2 1.323 CV 1
ASSI { 407}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 18 and name HA ))
2.700 0.900 0.900 peak 407 weight 0.10000E+01 volume 0.17187E-02 ppm1 5.651 ppm2 5.261 CV 1
ASSI { 408}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 50 and name HA ))
2.600 0.800 0.800 peak 408 weight 0.10000E+01 volume 0.18275E-02 ppm1 5.115 ppm2 4.766 CV 1
ASSI { 409}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HD2 ))
2.200 0.600 0.600 peak 409 weight 0.10000E+01 volume 0.44621E-02 ppm1 5.432 ppm2 3.884 CV 1
ASSI { 410}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HD1 ))
2.300 0.700 0.700 peak 410 weight 0.10000E+01 volume 0.41017E-02 ppm1 5.432 ppm2 3.752 CV 1
ASSI { 411}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HD2 ))
2.100 0.500 0.500 peak 411 weight 0.10000E+01 volume 0.46044E-02 ppm1 5.296 ppm2 3.675 CV 1
ASSI { 412}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 45 and name HD1 ))
2.800 1.000 1.000 peak 412 weight 0.10000E+01 volume 0.31381E-02 ppm1 5.158 ppm2 3.750 CV 1
ASSI { 413}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 30 and name HA ))
2.200 0.600 0.600 peak 413 weight 0.10000E+01 volume 0.38370E-02 ppm1 5.023 ppm2 3.889 CV 1
ASSI { 414}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 20 and name HA ))
2.000 0.500 0.500 peak 414 weight 0.10000E+01 volume 0.42051E-02 ppm1 4.848 ppm2 3.989 CV 1
ASSI { 415}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 5 and name HA ))
2.600 0.800 0.800 peak 415 weight 0.10000E+01 volume 0.39209E-02 ppm1 4.935 ppm2 4.340 CV 1
ASSI { 416}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 59 and name HA ))
2.400 0.700 0.700 peak 416 weight 0.10000E+01 volume 0.38474E-02 ppm1 5.063 ppm2 3.596 CV 1
ASSI { 419}
(( segid " " and resid 26 and name HZ3 ))
(( segid " " and resid 19 and name HA ))
3.000 1.100 1.100 peak 419 weight 0.10000E+01 volume 0.16719E-02 ppm1 6.795 ppm2 5.215 CV 1
ASSI { 420}
(( segid " " and resid 26 and name HH2 ))
(( segid " " and resid 19 and name HA ))
3.600 1.600 1.600 peak 420 weight 0.10000E+01 volume 0.18446E-03 ppm1 7.147 ppm2 5.222 CV 1
ASSI { 421}
(( segid " " and resid 26 and name HE3 ))
(( segid " " and resid 19 and name HA ))
3.800 1.800 1.800 peak 421 weight 0.92308E+00 volume 0.38961E-03 ppm1 7.434 ppm2 5.217 CV 1
ASSI { 422}
(( segid " " and resid 26 and name HZ3 ))
(( segid " " and resid 20 and name HA ))
4.400 2.400 1.600 peak 422 weight 0.10000E+01 volume 0.48848E-03 ppm1 6.795 ppm2 3.982 CV 1
ASSI { 428}
(( segid " " and resid 26 and name HZ3 ))
(( segid " " and resid 20 and name HB2 ))
3.400 1.500 1.500 peak 428 weight 0.10000E+01 volume 0.24237E-03 ppm1 6.797 ppm2 1.191 CV 1
ASSI { 429}
(( segid " " and resid 26 and name HZ3 ))
(( segid " " and resid 20 and name HB1 ))
5.200 3.400 0.800 peak 429 weight 0.10000E+01 volume 0.13238E-03 ppm1 6.796 ppm2 1.331 CV 1
ASSI { 431}
(( segid " " and resid 26 and name HH2 ))
(( segid " " and resid 20 and name HB1 ))
5.300 3.500 0.700 peak 431 weight 0.10000E+01 volume 0.16373E-03 ppm1 7.143 ppm2 1.329 CV 1
ASSI { 432}
(( segid " " and resid 26 and name HZ3 ))
(( segid " " and resid 20 and name HG1 ))
4.600 2.600 1.400 peak 432 weight 0.92308E+00 volume 0.31055E-03 ppm1 6.793 ppm2 0.833 CV 1
ASSI { 433}
(( segid " " and resid 26 and name HZ3 ))
(( segid " " and resid 20 and name HG2 ))
3.100 1.200 1.200 peak 433 weight 0.86391E+00 volume 0.98366E-03 ppm1 6.797 ppm2 0.907 CV 1
ASSI { 434}
(( segid " " and resid 26 and name HH2 ))
(( segid " " and resid 20 and name HG1 ))
3.700 1.700 1.700 peak 434 weight 0.92308E+00 volume 0.48809E-03 ppm1 7.144 ppm2 0.847 CV 1
ASSI { 435}
(( segid " " and resid 26 and name HH2 ))
(( segid " " and resid 20 and name HG2 ))
3.200 1.300 1.300 peak 435 weight 0.92308E+00 volume 0.11258E-02 ppm1 7.145 ppm2 0.910 CV 1
ASSI { 437}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 28 and name HA ))
6.000 6.000 0.000 peak 437 weight 0.10000E+01 volume 0.76034E-04 ppm1 6.760 ppm2 5.647 CV 1
ASSI { 438}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 29 and name HA ))
3.400 1.500 1.500 peak 438 weight 0.10000E+01 volume 0.80940E-03 ppm1 6.685 ppm2 5.425 CV 1
ASSI { 439}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 29 and name HA ))
4.500 2.500 1.500 peak 439 weight 0.10000E+01 volume 0.60253E-03 ppm1 6.757 ppm2 5.424 CV 1
ASSI { 440}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 12 and name HA ))
4.700 2.700 1.300 peak 440 weight 0.10000E+01 volume 0.37556E-03 ppm1 6.685 ppm2 5.291 CV 1
ASSI { 441}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 12 and name HA ))
5.700 4.100 0.300 peak 441 weight 0.10000E+01 volume 0.21727E-03 ppm1 6.757 ppm2 5.293 CV 1
ASSI { 447}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 14 and name HA ))
4.100 2.100 1.900 peak 447 weight 0.10000E+01 volume 0.80748E-04 ppm1 6.755 ppm2 4.458 CV 1
ASSI { 448}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 15 and name HA1 ))
4.600 2.600 1.400 peak 448 weight 0.10000E+01 volume 0.71711E-03 ppm1 6.685 ppm2 4.205 CV 1
ASSI { 452}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 30 and name HD1 ))
3.200 1.300 1.300 peak 452 weight 0.92308E+00 volume 0.92855E-03 ppm1 6.757 ppm2 3.753 CV 1
ASSI { 453}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 30 and name HD1 ))
3.100 1.200 1.200 peak 453 weight 0.92308E+00 volume 0.81654E-03 ppm1 6.685 ppm2 3.750 CV 1
ASSI { 454}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 13 and name HD2 ))
3.300 1.400 1.400 peak 454 weight 0.92308E+00 volume 0.66278E-03 ppm1 6.684 ppm2 3.674 CV 1
ASSI { 455}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 13 and name HD2 ))
4.200 2.200 1.800 peak 455 weight 0.92308E+00 volume 0.33617E-03 ppm1 6.756 ppm2 3.676 CV 1
ASSI { 460}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 29 and name HB2 ))
5.100 3.200 0.900 peak 460 weight 0.92308E+00 volume 0.35705E-03 ppm1 6.684 ppm2 2.868 CV 1
OR { 460}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 29 and name HB1 ))
ASSI { 462}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 13 and name HD1 ))
3.600 1.600 1.600 peak 462 weight 0.10000E+01 volume 0.18723E-03 ppm1 6.756 ppm2 2.949 CV 1
ASSI { 464}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 12 and name HB1 ))
5.200 3.400 0.800 peak 464 weight 0.92308E+00 volume 0.90478E-03 ppm1 6.685 ppm2 2.726 CV 1
ASSI { 465}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 12 and name HB1 ))
6.000 6.000 0.000 peak 465 weight 0.92308E+00 volume 0.19335E-03 ppm1 6.754 ppm2 2.727 CV 1
ASSI { 471}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 28 and name HB2 ))
3.400 1.500 1.500 peak 471 weight 0.92308E+00 volume 0.20044E-02 ppm1 6.684 ppm2 2.663 CV 1
ASSI { 472}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 12 and name HB2 ))
4.500 2.500 1.500 peak 472 weight 0.10000E+01 volume 0.40634E-03 ppm1 6.685 ppm2 2.362 CV 1
ASSI { 473}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 13 and name HB1 ))
4.000 2.000 2.000 peak 473 weight 0.10000E+01 volume 0.50328E-03 ppm1 6.686 ppm2 2.214 CV 1
ASSI { 474}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 13 and name HB2 ))
3.400 1.400 1.400 peak 474 weight 0.10000E+01 volume 0.27345E-03 ppm1 6.757 ppm2 2.216 CV 1
OR { 474}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 13 and name HB1 ))
ASSI { 476}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 30 and name HB1 ))
2.900 1.000 1.000 peak 476 weight 0.10000E+01 volume 0.20284E-02 ppm1 6.757 ppm2 1.950 CV 1
ASSI { 477}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 30 and name HG1 ))
5.100 3.300 0.900 peak 477 weight 0.92308E+00 volume 0.56640E-03 ppm1 6.686 ppm2 1.799 CV 1
ASSI { 478}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 30 and name HG1 ))
4.600 2.600 1.400 peak 478 weight 0.92308E+00 volume 0.11850E-02 ppm1 6.757 ppm2 1.797 CV 1
ASSI { 479}
( segid " " and resid 16 and name HE% )
(( segid " " and resid 13 and name HG2 ))
2.700 0.900 0.900 peak 479 weight 0.92308E+00 volume 0.15938E-02 ppm1 6.756 ppm2 1.736 CV 1
ASSI { 480}
( segid " " and resid 16 and name HD% )
(( segid " " and resid 13 and name HG2 ))
2.700 0.900 0.900 peak 480 weight 0.92308E+00 volume 0.13588E-02 ppm1 6.685 ppm2 1.725 CV 1
ASSI { 494}
( segid " " and resid 31 and name HE% )
( segid " " and resid 17 and name HG2%)
3.300 1.300 1.300 peak 494 weight 0.10000E+01 volume 0.22783E-02 ppm1 7.084 ppm2 1.089 CV 1
ASSI { 496}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 17 and name HB ))
3.400 1.400 1.400 peak 496 weight 0.10000E+01 volume 0.79669E-03 ppm1 7.238 ppm2 3.864 CV 1
ASSI { 498}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 33 and name HB1 ))
5.000 3.100 1.000 peak 498 weight 0.10000E+01 volume 0.31073E-03 ppm1 7.239 ppm2 2.049 CV 1
ASSI { 501}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 33 and name HG2 ))
4.800 2.900 1.200 peak 501 weight 0.10000E+01 volume 0.42766E-03 ppm1 7.238 ppm2 2.256 CV 1
ASSI { 502}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 33 and name HB2 ))
5.400 3.600 0.600 peak 502 weight 0.10000E+01 volume 0.27260E-03 ppm1 7.238 ppm2 1.873 CV 1
ASSI { 507}
( segid " " and resid 31 and name HE% )
( segid " " and resid 34 and name HB% )
4.700 2.700 1.300 peak 507 weight 0.92308E+00 volume 0.41513E-03 ppm1 7.238 ppm2 1.261 CV 1
ASSI { 516}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 34 and name HA ))
4.600 2.600 1.400 peak 516 weight 0.10000E+01 volume 0.36580E-03 ppm1 7.238 ppm2 4.327 CV 1
ASSI { 520}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 17 and name HA ))
3.900 1.900 1.900 peak 520 weight 0.10000E+01 volume 0.10859E-03 ppm1 7.236 ppm2 4.659 CV 1
ASSI { 521}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 16 and name HA ))
4.800 2.900 1.200 peak 521 weight 0.10000E+01 volume 0.13353E-03 ppm1 7.084 ppm2 5.018 CV 1
ASSI { 522}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 16 and name HA ))
4.300 2.400 1.700 peak 522 weight 0.96891E+00 volume 0.60649E-04 ppm1 7.237 ppm2 5.023 CV 1
ASSI { 532}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 45 and name HD2 ))
4.100 2.100 1.900 peak 532 weight 0.10000E+01 volume 0.13425E-02 ppm1 6.892 ppm2 2.834 CV 1
ASSI { 535}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 45 and name HD1 ))
3.500 1.500 1.500 peak 535 weight 0.10000E+01 volume 0.21835E-03 ppm1 6.893 ppm2 3.750 CV 1
ASSI { 538}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 45 and name HB1 ))
4.500 2.600 1.500 peak 538 weight 0.10000E+01 volume 0.76299E-03 ppm1 6.892 ppm2 1.311 CV 1
ASSI { 539}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 45 and name HG2 ))
3.400 1.500 1.500 peak 539 weight 0.92308E+00 volume 0.20210E-02 ppm1 6.892 ppm2 1.641 CV 1
OR { 539}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 45 and name HG1 ))
OR { 539}
(( segid " " and resid 48 and name HZ ))
(( segid " " and resid 45 and name HG1 ))
ASSI { 545}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 59 and name HG2 ))
4.200 2.200 1.800 peak 545 weight 0.92308E+00 volume 0.55765E-03 ppm1 6.891 ppm2 1.702 CV 1
ASSI { 547}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 59 and name HB1 ))
4.700 2.800 1.300 peak 547 weight 0.92308E+00 volume 0.64171E-03 ppm1 6.894 ppm2 1.365 CV 1
ASSI { 548}
( segid " " and resid 48 and name HE% )
(( segid " " and resid 45 and name HB2 ))
3.700 1.700 1.700 peak 548 weight 0.10000E+01 volume 0.27503E-03 ppm1 7.287 ppm2 2.178 CV 1
ASSI { 549}
( segid " " and resid 48 and name HE% )
(( segid " " and resid 57 and name HB1 ))
6.000 4.700 0.000 peak 549 weight 0.10000E+01 volume 0.15791E-03 ppm1 7.289 ppm2 2.976 CV 1
ASSI { 550}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 46 and name HA ))
3.300 1.400 1.400 peak 550 weight 0.10000E+01 volume 0.30864E-03 ppm1 6.893 ppm2 4.188 CV 1
OR { 550}
(( segid " " and resid 48 and name HZ ))
(( segid " " and resid 46 and name HA ))
ASSI { 551}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 47 and name HA1 ))
3.600 1.600 1.600 peak 551 weight 0.10000E+01 volume 0.42984E-03 ppm1 6.891 ppm2 4.275 CV 1
OR { 551}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 47 and name HA2 ))
ASSI { 552}
( segid " " and resid 48 and name HE% )
(( segid " " and resid 46 and name HA ))
3.900 1.900 1.900 peak 552 weight 0.10000E+01 volume 0.12297E-03 ppm1 7.291 ppm2 4.188 CV 1
ASSI { 553}
( segid " " and resid 48 and name HE% )
(( segid " " and resid 47 and name HA1 ))
3.600 1.600 1.600 peak 553 weight 0.10000E+01 volume 0.18234E-03 ppm1 7.285 ppm2 4.274 CV 1
ASSI { 556}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 58 and name HA ))
3.000 1.100 1.100 peak 556 weight 0.10000E+01 volume 0.12254E-02 ppm1 6.893 ppm2 4.824 CV 1
ASSI { 557}
( segid " " and resid 48 and name HE% )
(( segid " " and resid 58 and name HA ))
4.000 2.000 2.000 peak 557 weight 0.10000E+01 volume 0.58316E-03 ppm1 7.288 ppm2 4.823 CV 1
ASSI { 560}
( segid " " and resid 48 and name HD% )
(( segid " " and resid 57 and name HA ))
5.400 3.700 0.600 peak 560 weight 0.92308E+00 volume 0.32562E-03 ppm1 6.893 ppm2 5.138 CV 1
ASSI { 561}
(( segid " " and resid 40 and name HD2 ))
( segid " " and resid 41 and name HG2%)
4.700 2.800 1.300 peak 561 weight 0.10000E+01 volume 0.36008E-03 ppm1 7.149 ppm2 0.583 CV 1
ASSI { 563}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 41 and name HG12))
5.600 3.900 0.400 peak 563 weight 0.10000E+01 volume 0.11963E-03 ppm1 7.147 ppm2 1.113 CV 1
ASSI { 564}
(( segid " " and resid 40 and name HD2 ))
(( segid " " and resid 41 and name HB ))
5.800 4.200 0.200 peak 564 weight 0.85326E+00 volume 0.55352E-04 ppm1 7.151 ppm2 1.628 CV 1
ASSI { 575}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 16 and name HB2 ))
5.700 4.100 0.300 peak 575 weight 0.10000E+01 volume 0.32484E-03 ppm1 5.654 ppm2 3.161 CV 1
ASSI { 578}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 12 and name HB2 ))
4.400 2.400 1.600 peak 578 weight 0.10000E+01 volume 0.11726E-03 ppm1 5.654 ppm2 2.369 CV 1
ASSI { 579}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 16 and name HB1 ))
3.600 1.600 1.600 peak 579 weight 0.92308E+00 volume 0.73683E-03 ppm1 5.649 ppm2 2.560 CV 1
ASSI { 580}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 12 and name HB1 ))
4.800 2.800 1.200 peak 580 weight 0.92308E+00 volume 0.29310E-03 ppm1 5.651 ppm2 2.732 CV 1
ASSI { 581}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 17 and name HG2%)
6.000 4.600 0.000 peak 581 weight 0.10000E+01 volume 0.11514E-03 ppm1 5.644 ppm2 1.093 CV 1
ASSI { 583}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 10 and name HG1%)
4.600 2.600 1.400 peak 583 weight 0.83190E+00 volume 0.42595E-04 ppm1 5.654 ppm2 0.750 CV 1
ASSI { 585}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HB2 ))
5.300 3.500 0.700 peak 585 weight 0.92308E+00 volume 0.10711E-02 ppm1 5.432 ppm2 2.013 CV 1
ASSI { 586}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HB1 ))
4.800 2.900 1.200 peak 586 weight 0.92308E+00 volume 0.83312E-03 ppm1 5.432 ppm2 1.947 CV 1
ASSI { 587}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HG2 ))
6.000 4.700 0.000 peak 587 weight 0.92308E+00 volume 0.27195E-03 ppm1 5.432 ppm2 1.746 CV 1
ASSI { 588}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HG1 ))
6.000 5.300 0.000 peak 588 weight 0.92308E+00 volume 0.18212E-03 ppm1 5.432 ppm2 1.801 CV 1
ASSI { 589}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 16 and name HB2 ))
3.300 1.400 1.400 peak 589 weight 0.10000E+01 volume 0.87653E-03 ppm1 5.294 ppm2 3.159 CV 1
ASSI { 590}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 16 and name HB1 ))
4.200 2.200 1.800 peak 590 weight 0.10000E+01 volume 0.29443E-03 ppm1 5.294 ppm2 2.561 CV 1
ASSI { 591}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 28 and name HB2 ))
4.200 2.200 1.800 peak 591 weight 0.92308E+00 volume 0.74458E-03 ppm1 5.293 ppm2 2.667 CV 1
ASSI { 592}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HG2 ))
5.400 3.700 0.600 peak 592 weight 0.10000E+01 volume 0.38725E-03 ppm1 5.295 ppm2 1.715 CV 1
ASSI { 593}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HG1 ))
6.000 4.800 0.000 peak 593 weight 0.10000E+01 volume 0.21103E-03 ppm1 5.294 ppm2 1.492 CV 1
ASSI { 594}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HA ))
4.800 2.900 1.200 peak 594 weight 0.10000E+01 volume 0.23965E-03 ppm1 5.292 ppm2 4.655 CV 1
ASSI { 595}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HD1 ))
2.300 0.700 0.700 peak 595 weight 0.92308E+00 volume 0.41427E-02 ppm1 5.295 ppm2 2.963 CV 1
ASSI { 596}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HB2 ))
6.000 4.600 0.000 peak 596 weight 0.10000E+01 volume 0.16961E-03 ppm1 5.294 ppm2 1.973 CV 1
ASSI { 597}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HB1 ))
6.000 5.400 0.000 peak 597 weight 0.10000E+01 volume 0.19233E-03 ppm1 5.297 ppm2 2.216 CV 1
ASSI { 599}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 10 and name HG1%)
3.900 1.900 1.900 peak 599 weight 0.10000E+01 volume 0.48399E-03 ppm1 5.267 ppm2 0.752 CV 1
ASSI { 600}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 26 and name HB1 ))
6.000 5.400 0.000 peak 600 weight 0.91042E+00 volume 0.20249E-03 ppm1 5.222 ppm2 3.124 CV 1
ASSI { 602}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 17 and name HG2%)
4.400 2.400 1.600 peak 602 weight 0.10000E+01 volume 0.30595E-03 ppm1 5.225 ppm2 1.095 CV 1
ASSI { 603}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 48 and name HB2 ))
4.600 2.700 1.400 peak 603 weight 0.10000E+01 volume 0.52309E-03 ppm1 5.156 ppm2 3.386 CV 1
ASSI { 604}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 48 and name HB1 ))
6.000 5.900 0.000 peak 604 weight 0.10000E+01 volume 0.13251E-03 ppm1 5.155 ppm2 2.557 CV 1
ASSI { 605}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 45 and name HB1 ))
6.000 4.800 0.000 peak 605 weight 0.10000E+01 volume 0.33074E-03 ppm1 5.157 ppm2 1.304 CV 1
ASSI { 606}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 45 and name HG2 ))
5.000 3.100 1.000 peak 606 weight 0.10000E+01 volume 0.59417E-03 ppm1 5.158 ppm2 1.637 CV 1
ASSI { 607}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 45 and name HB2 ))
6.000 6.000 0.000 peak 607 weight 0.10000E+01 volume 0.12276E-03 ppm1 5.156 ppm2 2.192 CV 1
ASSI { 608}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 58 and name HG2 ))
4.500 2.600 1.500 peak 608 weight 0.10000E+01 volume 0.30077E-03 ppm1 5.115 ppm2 2.294 CV 1
ASSI { 609}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 56 and name HA ))
5.200 3.400 0.800 peak 609 weight 0.10000E+01 volume 0.22272E-03 ppm1 5.114 ppm2 4.565 CV 1
ASSI { 610}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 58 and name HA ))
4.800 2.800 1.200 peak 610 weight 0.92308E+00 volume 0.33175E-03 ppm1 5.114 ppm2 4.824 CV 1
ASSI { 612}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 50 and name HB1 ))
4.100 2.100 1.900 peak 612 weight 0.92308E+00 volume 0.10578E-02 ppm1 5.118 ppm2 3.042 CV 1
ASSI { 614}
(( segid " " and resid 48 and name HA ))
( segid " " and resid 49 and name HG2%)
5.300 3.500 0.700 peak 614 weight 0.92308E+00 volume 0.36911E-03 ppm1 5.063 ppm2 1.114 CV 1
ASSI { 615}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 60 and name HG1 ))
4.400 2.400 1.600 peak 615 weight 0.10000E+01 volume 0.51891E-03 ppm1 5.062 ppm2 1.265 CV 1
OR { 615}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 60 and name HG2 ))
ASSI { 616}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 59 and name HB1 ))
5.100 3.200 0.900 peak 616 weight 0.10000E+01 volume 0.41420E-03 ppm1 5.063 ppm2 1.352 CV 1
ASSI { 618}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 59 and name HB2 ))
5.500 3.800 0.500 peak 618 weight 0.10000E+01 volume 0.28825E-03 ppm1 5.065 ppm2 1.635 CV 1
ASSI { 619}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 59 and name HG2 ))
5.300 3.500 0.700 peak 619 weight 0.10000E+01 volume 0.28292E-03 ppm1 5.062 ppm2 1.710 CV 1
ASSI { 620}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 58 and name HB2 ))
5.000 3.100 1.000 peak 620 weight 0.92308E+00 volume 0.31122E-03 ppm1 5.060 ppm2 1.805 CV 1
ASSI { 621}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 44 and name HB2 ))
5.300 3.600 0.700 peak 621 weight 0.92308E+00 volume 0.49531E-03 ppm1 5.064 ppm2 2.833 CV 1
ASSI { 623}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 44 and name HB1 ))
5.000 3.100 1.000 peak 623 weight 0.92308E+00 volume 0.52792E-03 ppm1 5.070 ppm2 2.700 CV 1
ASSI { 627}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 17 and name HG2%)
4.900 3.000 1.100 peak 627 weight 0.10000E+01 volume 0.43685E-03 ppm1 5.022 ppm2 1.092 CV 1
ASSI { 628}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 30 and name HG2 ))
5.500 3.800 0.500 peak 628 weight 0.92308E+00 volume 0.55151E-03 ppm1 5.021 ppm2 1.743 CV 1
ASSI { 629}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 30 and name HG1 ))
5.500 3.800 0.500 peak 629 weight 0.86391E+00 volume 0.52753E-03 ppm1 5.020 ppm2 1.797 CV 1
ASSI { 630}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 28 and name HB2 ))
5.600 3.900 0.400 peak 630 weight 0.10000E+01 volume 0.70518E-03 ppm1 5.018 ppm2 2.665 CV 1
ASSI { 631}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 12 and name HB1 ))
5.600 3.900 0.400 peak 631 weight 0.86391E+00 volume 0.44416E-03 ppm1 5.021 ppm2 2.728 CV 1
ASSI { 632}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 31 and name HB1 ))
5.100 3.300 0.900 peak 632 weight 0.10000E+01 volume 0.67314E-03 ppm1 5.021 ppm2 2.866 CV 1
ASSI { 633}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 13 and name HD2 ))
4.000 2.000 2.000 peak 633 weight 0.92308E+00 volume 0.11489E-02 ppm1 5.012 ppm2 3.668 CV 1
ASSI { 634}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 10 and name HG1%)
4.200 2.200 1.800 peak 634 weight 0.10000E+01 volume 0.36434E-03 ppm1 4.936 ppm2 0.751 CV 1
ASSI { 637}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 5 and name HB1 ))
5.800 4.200 0.200 peak 637 weight 0.10000E+01 volume 0.68281E-04 ppm1 4.936 ppm2 1.706 CV 1
ASSI { 638}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 13 and name HB1 ))
5.900 4.400 0.100 peak 638 weight 0.10000E+01 volume 0.18163E-03 ppm1 4.938 ppm2 2.212 CV 1
ASSI { 640}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 4 and name HB ))
6.000 6.000 0.000 peak 640 weight 0.54354E+00 volume 0.74323E-05 ppm1 4.940 ppm2 2.013 CV 1
ASSI { 641}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 21 and name HB2 ))
3.300 1.400 1.400 peak 641 weight 0.99371E+00 volume 0.30866E-03 ppm1 4.846 ppm2 1.583 CV 1
ASSI { 642}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 20 and name HB1 ))
5.100 3.200 0.900 peak 642 weight 0.10000E+01 volume 0.62769E-03 ppm1 4.847 ppm2 1.319 CV 1
ASSI { 644}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 21 and name HD1%)
3.800 1.800 1.800 peak 644 weight 0.10000E+01 volume 0.84240E-03 ppm1 4.849 ppm2 0.818 CV 1
ASSI { 645}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 10 and name HG1%)
6.000 4.700 0.000 peak 645 weight 0.10000E+01 volume 0.11812E-03 ppm1 4.850 ppm2 0.752 CV 1
ASSI { 646}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 20 and name HD2 ))
5.600 4.000 0.400 peak 646 weight 0.10000E+01 volume 0.14903E-03 ppm1 4.844 ppm2 2.360 CV 1
ASSI { 648}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 52 and name HG2%)
5.100 3.300 0.900 peak 648 weight 0.10000E+01 volume 0.52204E-03 ppm1 4.810 ppm2 1.229 CV 1
ASSI { 653}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 4 and name HG1%)
4.300 2.400 1.700 peak 653 weight 0.10000E+02 volume 0.13228E-03 ppm1 4.668 ppm2 0.904 CV 1
OR { 653}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 4 and name HG2%)
ASSI { 654}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 12 and name HB2 ))
3.700 1.700 1.700 peak 654 weight 0.10000E+01 volume 0.54629E-03 ppm1 4.667 ppm2 2.366 CV 1
OR { 654}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 12 and name HB1 ))
ASSI { 655}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 12 and name HB1 ))
3.900 1.900 1.900 peak 655 weight 0.10000E+01 volume 0.35461E-03 ppm1 4.667 ppm2 2.733 CV 1
ASSI { 656}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 29 and name HB1 ))
5.700 4.100 0.300 peak 656 weight 0.10000E+01 volume 0.23595E-03 ppm1 4.667 ppm2 2.868 CV 1
ASSI { 657}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 16 and name HB2 ))
4.700 2.800 1.300 peak 657 weight 0.10000E+01 volume 0.22124E-03 ppm1 4.665 ppm2 3.160 CV 1
ASSI { 658}
(( segid " " and resid 3 and name HA ))
( segid " " and resid 4 and name HG2%)
5.400 3.700 0.600 peak 658 weight 0.92308E+00 volume 0.65386E-03 ppm1 4.628 ppm2 0.921 CV 1
ASSI { 659}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 57 and name HB2 ))
4.500 2.500 1.500 peak 659 weight 0.10000E+01 volume 0.26625E-03 ppm1 4.600 ppm2 2.701 CV 1
ASSI { 664}
(( segid " " and resid 27 and name HA2 ))
(( segid " " and resid 21 and name HG ))
3.800 1.800 1.800 peak 664 weight 0.92308E+00 volume 0.95088E-03 ppm1 4.475 ppm2 1.583 CV 1
ASSI { 669}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 11 and name HB1 ))
4.300 2.300 1.700 peak 669 weight 0.10000E+01 volume 0.11728E-02 ppm1 4.345 ppm2 3.674 CV 1
ASSI { 670}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 11 and name HB2 ))
4.100 2.100 1.900 peak 670 weight 0.10000E+01 volume 0.12247E-02 ppm1 4.345 ppm2 3.604 CV 1
ASSI { 676}
(( segid " " and resid 27 and name HA1 ))
( segid " " and resid 21 and name HD1%)
2.500 0.800 0.800 peak 676 weight 0.10000E+01 volume 0.49614E-02 ppm1 3.744 ppm2 0.813 CV 1
ASSI { 677}
(( segid " " and resid 26 and name HB1 ))
( segid " " and resid 10 and name HG1%)
3.200 1.300 1.300 peak 677 weight 0.10000E+01 volume 0.11561E-02 ppm1 3.118 ppm2 0.751 CV 1
ASSI { 678}
(( segid " " and resid 26 and name HB2 ))
( segid " " and resid 10 and name HG1%)
3.300 1.300 1.300 peak 678 weight 0.10000E+01 volume 0.16077E-02 ppm1 2.931 ppm2 0.752 CV 1
ASSI { 679}
(( segid " " and resid 26 and name HB2 ))
( segid " " and resid 10 and name HG2%)
3.800 1.800 1.800 peak 679 weight 0.10000E+01 volume 0.10727E-02 ppm1 2.933 ppm2 0.945 CV 1
ASSI { 680}
(( segid " " and resid 29 and name HB1 ))
( segid " " and resid 17 and name HG2%)
2.600 0.900 0.900 peak 680 weight 0.10000E+01 volume 0.38351E-02 ppm1 2.872 ppm2 1.094 CV 1
ASSI { 681}
(( segid " " and resid 26 and name HB1 ))
( segid " " and resid 10 and name HG2%)
3.000 1.100 1.100 peak 681 weight 0.10000E+01 volume 0.10613E-02 ppm1 3.119 ppm2 0.943 CV 1
ASSI { 682}
(( segid " " and resid 19 and name HB1 ))
( segid " " and resid 17 and name HG2%)
4.500 2.600 1.500 peak 682 weight 0.10000E+01 volume 0.64772E-03 ppm1 3.187 ppm2 1.094 CV 1
ASSI { 683}
(( segid " " and resid 19 and name HB2 ))
( segid " " and resid 17 and name HG2%)
3.600 1.600 1.600 peak 683 weight 0.10000E+01 volume 0.56144E-03 ppm1 3.423 ppm2 1.092 CV 1
ASSI { 687}
(( segid " " and resid 29 and name HB2 ))
( segid " " and resid 17 and name HG2%)
3.100 1.200 1.200 peak 687 weight 0.86391E+00 volume 0.23245E-02 ppm1 2.927 ppm2 1.094 CV 1
ASSI { 690}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 12 and name HB2 ))
2.700 0.900 0.900 peak 690 weight 0.10000E+01 volume 0.15096E-02 ppm1 3.166 ppm2 2.366 CV 1
ASSI { 701}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 18 and name HB1 ))
6.000 6.000 0.000 peak 701 weight 0.83532E+00 volume 0.41106E-04 ppm1 3.956 ppm2 2.878 CV 1
ASSI { 706}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 6 and name HB1 ))
3.100 1.200 1.200 peak 706 weight 0.86391E+00 volume 0.12515E-02 ppm1 2.928 ppm2 2.119 CV 1
ASSI { 707}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 6 and name HB2 ))
2.900 1.100 1.100 peak 707 weight 0.86391E+00 volume 0.18591E-02 ppm1 2.928 ppm2 2.189 CV 1
ASSI { 708}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 6 and name HB1 ))
3.600 1.600 1.600 peak 708 weight 0.86391E+00 volume 0.15048E-02 ppm1 2.896 ppm2 2.118 CV 1
ASSI { 709}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 6 and name HB2 ))
2.700 0.900 0.900 peak 709 weight 0.86391E+00 volume 0.25800E-02 ppm1 2.896 ppm2 2.179 CV 1
ASSI { 710}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 6 and name HB1 ))
5.900 4.300 0.100 peak 710 weight 0.10000E+01 volume 0.16734E-03 ppm1 5.262 ppm2 2.123 CV 1
ASSI { 711}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 6 and name HB2 ))
5.100 3.300 0.900 peak 711 weight 0.86391E+00 volume 0.17237E-03 ppm1 5.267 ppm2 2.204 CV 1
ASSI { 713}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 6 and name HB1 ))
3.400 1.500 1.500 peak 713 weight 0.92308E+00 volume 0.75581E-03 ppm1 3.117 ppm2 2.116 CV 1
ASSI { 714}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 6 and name HB2 ))
3.700 1.700 1.700 peak 714 weight 0.92308E+00 volume 0.65926E-03 ppm1 3.121 ppm2 2.195 CV 1
ASSI { 717}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 10 and name HB ))
3.800 1.800 1.800 peak 717 weight 0.10000E+01 volume 0.22919E-03 ppm1 3.116 ppm2 1.767 CV 1
ASSI { 718}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 10 and name HB ))
3.900 1.900 1.900 peak 718 weight 0.10000E+01 volume 0.11173E-02 ppm1 2.933 ppm2 1.768 CV 1
ASSI { 721}
(( segid " " and resid 12 and name HB1 ))
( segid " " and resid 4 and name HG2%)
4.400 2.400 1.600 peak 721 weight 0.10000E+01 volume 0.36848E-03 ppm1 2.731 ppm2 0.911 CV 1
OR { 721}
(( segid " " and resid 12 and name HB1 ))
( segid " " and resid 4 and name HG1%)
ASSI { 725}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 4 and name HB ))
2.900 1.100 1.100 peak 725 weight 0.10000E+01 volume 0.77466E-03 ppm1 2.734 ppm2 2.024 CV 1
ASSI { 726}
(( segid " " and resid 6 and name HB2 ))
( segid " " and resid 10 and name HG1%)
3.100 1.200 1.200 peak 726 weight 0.92308E+00 volume 0.11209E-02 ppm1 2.198 ppm2 0.751 CV 1
ASSI { 727}
(( segid " " and resid 6 and name HB1 ))
( segid " " and resid 10 and name HG1%)
3.900 1.900 1.900 peak 727 weight 0.92308E+00 volume 0.12088E-02 ppm1 2.120 ppm2 0.750 CV 1
ASSI { 771}
(( segid " " and resid 42 and name HB1 ))
( segid " " and resid 41 and name HG2%)
4.200 2.200 1.800 peak 771 weight 0.10000E+01 volume 0.45161E-03 ppm1 3.111 ppm2 0.581 CV 1
ASSI { 777}
( segid " " and resid 35 and name HG1%)
(( segid " " and resid 55 and name HA2 ))
4.800 2.900 1.200 peak 777 weight 0.10000E+01 volume 0.18414E-03 ppm1 0.873 ppm2 3.561 CV 1
ASSI { 782}
( segid " " and resid 41 and name HG2%)
(( segid " " and resid 42 and name HB2 ))
4.600 2.700 1.400 peak 782 weight 0.10000E+01 volume 0.18239E-03 ppm1 0.587 ppm2 3.242 CV 1
Contact the webmaster for help, if required. Thursday, May 23, 2024 6:39:21 AM GMT (wattos1)