Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
24057 | 2k02 RC | 15634 | cing | 1-original | 5 | XPLOR/CNS | distance | NOE | simple |
ASSI { 3}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 6 and name HB3 ))
4.100 2.100 1.900 peak 3 spectrum 1 weight 0.10000E+01 volume 0.42571E-03 ppm1 8.811 ppm2 2.275 CV 1
ASSI { 4}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB2 ))
3.700 1.700 1.700 peak 4 spectrum 1 weight 0.10000E+01 volume 0.25178E-03 ppm1 8.809 ppm2 3.938 CV 1
ASSI { 6}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HA ))
3.000 1.100 1.100 peak 6 spectrum 1 weight 0.10000E+01 volume 0.10570E-02 ppm1 8.809 ppm2 4.715 CV 1
ASSI { 7}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 6 and name HN ))
2.400 2.400 3.600 peak 7 spectrum 1 weight 0.10000E+01 volume 0.44014E-02 ppm1 8.809 ppm2 7.684 CV 1
ASSI { 9}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 6 and name HB2 ))
3.400 3.400 2.600 peak 9 spectrum 1 weight 0.10000E+01 volume 0.63135E-03 ppm1 8.809 ppm2 1.936 CV 1
ASSI { 11}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB3 ))
3.300 1.400 1.400 peak 11 spectrum 1 weight 0.10000E+01 volume 0.43244E-03 ppm1 8.646 ppm2 4.287 CV 1
ASSI { 13}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 16 and name HG2 ))
5.200 3.300 0.800 peak 13 spectrum 1 weight 0.10000E+01 volume 0.33635E-03 ppm1 8.753 ppm2 1.288 CV 1
ASSI { 14}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
3.200 1.300 1.300 peak 14 spectrum 1 weight 0.10000E+01 volume 0.58139E-03 ppm1 8.647 ppm2 3.968 CV 1
ASSI { 15}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB2 ))
6.000 6.000 0.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.35076E-06 ppm1 8.647 ppm2 3.915 CV 1
ASSI { 16}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA ))
3.300 1.400 1.400 peak 16 spectrum 1 weight 0.10000E+01 volume 0.40841E-03 ppm1 8.646 ppm2 4.715 CV 1
ASSI { 17}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 6 and name HN ))
3.300 1.400 1.400 peak 17 spectrum 1 weight 0.10000E+01 volume 0.40456E-03 ppm1 8.182 ppm2 7.698 CV 1
ASSI { 19}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HN ))
3.300 1.400 1.400 peak 19 spectrum 1 weight 0.10000E+01 volume 0.35269E-03 ppm1 8.183 ppm2 8.643 CV 1
ASSI { 20}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 3 and name HB3 ))
3.100 1.200 1.200 peak 20 spectrum 1 weight 0.10000E+01 volume 0.14607E-02 ppm1 8.183 ppm2 4.289 CV 1
ASSI { 21}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
3.700 1.700 1.700 peak 21 spectrum 1 weight 0.10000E+01 volume 0.22390E-03 ppm1 8.183 ppm2 4.028 CV 1
ASSI { 22}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HG3 ))
3.800 1.800 1.800 peak 22 spectrum 1 weight 0.10000E+01 volume 0.38246E-03 ppm1 8.183 ppm2 2.576 CV 1
OR { 22}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HG2 ))
ASSI { 24}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HG ))
3.500 1.600 1.600 peak 24 spectrum 1 weight 0.10000E+01 volume 0.35557E-03 ppm1 8.183 ppm2 1.771 CV 1
ASSI { 25}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB2 ))
4.000 2.000 2.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.32577E-03 ppm1 8.183 ppm2 1.574 CV 1
ASSI { 26}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
2.300 2.300 3.700 peak 26 spectrum 1 weight 0.10000E+01 volume 0.47568E-02 ppm1 8.183 ppm2 3.968 CV 1
ASSI { 27}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 4 and name HD2%)
2.700 2.700 3.300 peak 27 spectrum 1 weight 0.10000E+01 volume 0.88396E-03 ppm1 8.182 ppm2 0.868 CV 1
ASSI { 28}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB3 ))
3.700 1.700 1.700 peak 28 spectrum 1 weight 0.10000E+01 volume 0.77074E-03 ppm1 7.696 ppm2 2.279 CV 1
ASSI { 30}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HB3 ))
3.300 1.300 1.300 peak 30 spectrum 1 weight 0.10000E+01 volume 0.61789E-03 ppm1 7.696 ppm2 1.977 CV 1
OR { 30}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HB2 ))
ASSI { 31}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HG3 ))
6.000 4.800 0.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.26906E-04 ppm1 7.696 ppm2 2.564 CV 1
OR { 31}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HG2 ))
ASSI { 32}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 2 and name HA ))
6.000 4.700 0.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.37863E-04 ppm1 7.696 ppm2 4.324 CV 1
ASSI { 40}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HB ))
3.300 1.400 1.400 peak 40 spectrum 1 weight 0.10000E+01 volume 0.43052E-03 ppm1 7.636 ppm2 2.134 CV 1
ASSI { 42}
(( segid " " and resid 7 and name HN ))
( segid " " and resid 7 and name HG2%)
3.500 1.500 1.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.59387E-03 ppm1 7.638 ppm2 0.815 CV 1
ASSI { 43}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 8 and name HB2 ))
4.500 2.500 1.500 peak 43 spectrum 1 weight 0.10000E+01 volume 0.33826E-03 ppm1 7.636 ppm2 1.830 CV 1
ASSI { 44}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB3 ))
4.400 2.400 1.600 peak 44 spectrum 1 weight 0.10000E+01 volume 0.27293E-03 ppm1 7.636 ppm2 2.270 CV 1
ASSI { 48}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
3.700 1.700 1.700 peak 48 spectrum 1 weight 0.10000E+01 volume 0.47955E-03 ppm1 7.636 ppm2 4.027 CV 1
ASSI { 49}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 22 and name HB3 ))
5.000 3.200 1.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.75050E-04 ppm1 8.476 ppm2 1.947 CV 1
ASSI { 50}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 8 and name HN ))
3.300 1.400 1.400 peak 50 spectrum 1 weight 0.10000E+01 volume 0.40073E-03 ppm1 7.636 ppm2 8.211 CV 1
ASSI { 51}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 9 and name HN ))
3.800 1.800 1.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.44014E-03 ppm1 7.636 ppm2 8.815 CV 1
ASSI { 52}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB2 ))
3.000 1.100 1.100 peak 52 spectrum 1 weight 0.10000E+01 volume 0.82464E-03 ppm1 8.222 ppm2 1.820 CV 1
ASSI { 53}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB3 ))
2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.21045E-02 ppm1 8.222 ppm2 2.043 CV 1
ASSI { 54}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HB ))
4.400 2.400 1.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.12974E-03 ppm1 8.222 ppm2 2.130 CV 1
ASSI { 55}
(( segid " " and resid 8 and name HN ))
( segid " " and resid 7 and name HG2%)
3.000 1.200 1.200 peak 55 spectrum 1 weight 0.10000E+01 volume 0.13069E-02 ppm1 8.222 ppm2 0.821 CV 1
ASSI { 57}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HG2 ))
3.800 1.800 1.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.90817E-03 ppm1 8.222 ppm2 1.455 CV 1
ASSI { 58}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA ))
6.000 4.500 0.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.222 ppm2 3.348 CV 1
ASSI { 59}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HA ))
2.600 0.900 0.900 peak 59 spectrum 1 weight 0.10000E+01 volume 0.22006E-02 ppm1 8.222 ppm2 3.606 CV 1
ASSI { 60}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 5 and name HA ))
1.900 1.900 4.100 peak 60 spectrum 1 weight 0.10000E+01 volume 0.25178E-01 ppm1 8.222 ppm2 4.026 CV 1
ASSI { 64}
(( segid " " and resid 8 and name HN ))
( segid " " and resid 11 and name HD2%)
6.000 6.000 0.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.14607E-06 ppm1 8.222 ppm2 0.867 CV 1
ASSI { 65}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 9 and name HN ))
3.300 1.300 1.300 peak 65 spectrum 1 weight 0.10000E+01 volume 0.56987E-03 ppm1 8.222 ppm2 8.801 CV 1
ASSI { 66}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB2 ))
4.600 2.600 1.400 peak 66 spectrum 1 weight 0.10000E+01 volume 0.31424E-03 ppm1 8.814 ppm2 1.825 CV 1
OR { 66}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HG3 ))
ASSI { 67}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB3 ))
3.200 1.300 1.300 peak 67 spectrum 1 weight 0.10000E+01 volume 0.33057E-03 ppm1 8.814 ppm2 2.035 CV 1
ASSI { 68}
(( segid " " and resid 9 and name HN ))
( segid " " and resid 12 and name HB% )
3.100 3.100 2.900 peak 68 spectrum 1 weight 0.10000E+01 volume 0.23639E-02 ppm1 8.814 ppm2 1.474 CV 1
ASSI { 69}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB2 ))
3.700 1.700 1.700 peak 69 spectrum 1 weight 0.10000E+01 volume 0.25754E-03 ppm1 8.814 ppm2 2.569 CV 1
ASSI { 70}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB3 ))
3.700 1.700 1.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.40456E-03 ppm1 8.814 ppm2 2.670 CV 1
ASSI { 71}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA ))
2.400 2.400 3.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.50932E-02 ppm1 8.814 ppm2 3.595 CV 1
ASSI { 73}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA ))
3.500 1.600 1.600 peak 73 spectrum 1 weight 0.10000E+01 volume 0.35941E-03 ppm1 8.814 ppm2 4.336 CV 1
ASSI { 74}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HN ))
3.300 1.400 1.400 peak 74 spectrum 1 weight 0.10000E+01 volume 0.37095E-03 ppm1 8.814 ppm2 7.702 CV 1
ASSI { 77}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA ))
3.300 1.400 1.400 peak 77 spectrum 1 weight 0.10000E+01 volume 0.50836E-03 ppm1 7.705 ppm2 4.352 CV 1
ASSI { 79}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HB3 ))
3.300 1.400 1.400 peak 79 spectrum 1 weight 0.10000E+01 volume 0.48818E-03 ppm1 7.705 ppm2 2.660 CV 1
ASSI { 81}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB3 ))
3.700 1.700 1.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.71690E-03 ppm1 7.705 ppm2 2.196 CV 1
ASSI { 82}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB2 ))
2.800 1.000 1.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.11051E-02 ppm1 7.705 ppm2 1.989 CV 1
ASSI { 86}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 11 and name HN ))
3.100 1.200 1.200 peak 86 spectrum 1 weight 0.10000E+01 volume 0.61691E-03 ppm1 7.705 ppm2 8.086 CV 1
ASSI { 88}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 20 and name HN ))
2.500 2.500 3.500 peak 88 spectrum 1 weight 0.10000E+01 volume 0.33730E-02 ppm1 7.705 ppm2 9.147 CV 1
ASSI { 89}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 7 and name HG1%)
4.200 2.200 1.800 peak 89 spectrum 1 weight 0.10000E+01 volume 0.20661E-03 ppm1 8.086 ppm2 0.621 CV 1
ASSI { 90}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 13 and name HD2%)
3.800 1.800 1.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.48434E-03 ppm1 8.087 ppm2 0.903 CV 1
OR { 90}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 13 and name HD1%)
ASSI { 91}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB2 ))
3.200 1.300 1.300 peak 91 spectrum 1 weight 0.10000E+01 volume 0.31135E-03 ppm1 8.087 ppm2 1.300 CV 1
ASSI { 92}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 12 and name HB% )
4.800 2.900 1.200 peak 92 spectrum 1 weight 0.10000E+01 volume 0.23159E-03 ppm1 8.087 ppm2 1.477 CV 1
ASSI { 93}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 17 and name HB2 ))
6.000 4.900 0.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.41994E-04 ppm1 8.087 ppm2 1.668 CV 1
ASSI { 94}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HG ))
3.800 1.900 1.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.49491E-03 ppm1 8.087 ppm2 1.798 CV 1
ASSI { 95}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB2 ))
3.000 1.100 1.100 peak 95 spectrum 1 weight 0.10000E+01 volume 0.55064E-03 ppm1 8.087 ppm2 1.982 CV 1
ASSI { 96}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB3 ))
3.500 1.500 1.500 peak 96 spectrum 1 weight 0.10000E+01 volume 0.91670E-03 ppm1 8.087 ppm2 2.202 CV 1
ASSI { 99}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 8 and name HA ))
3.400 1.500 1.500 peak 99 spectrum 1 weight 0.10000E+01 volume 0.48145E-03 ppm1 8.087 ppm2 3.604 CV 1
ASSI { 101}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA ))
3.100 1.200 1.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.98006E-03 ppm1 8.087 ppm2 4.349 CV 1
ASSI { 105}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 78 and name HD2%)
3.400 3.400 2.600 peak 105 spectrum 1 weight 0.10000E+01 volume 0.74078E-03 ppm1 8.561 ppm2 0.956 CV 1
ASSI { 108}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB3 ))
2.100 2.100 3.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.16528E-01 ppm1 8.561 ppm2 1.952 CV 1
ASSI { 109}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB2 ))
1.800 1.800 4.200 peak 109 spectrum 1 weight 0.10000E+01 volume 0.15568E-01 ppm1 8.561 ppm2 1.294 CV 1
ASSI { 110}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HA ))
1.600 1.600 4.400 peak 110 spectrum 1 weight 0.10000E+01 volume 0.54969E-01 ppm1 8.561 ppm2 4.045 CV 1
ASSI { 111}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 10 and name HA ))
3.800 1.800 1.800 peak 111 spectrum 1 weight 0.10000E+01 volume 0.35171E-03 ppm1 8.561 ppm2 4.349 CV 1
ASSI { 115}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 13 and name HN ))
3.100 1.200 1.200 peak 115 spectrum 1 weight 0.10000E+01 volume 0.67643E-03 ppm1 8.561 ppm2 7.581 CV 1
ASSI { 116}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HN ))
3.100 1.200 1.200 peak 116 spectrum 1 weight 0.10000E+01 volume 0.52758E-03 ppm1 8.561 ppm2 8.086 CV 1
ASSI { 117}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 6 and name HB3 ))
4.600 2.700 1.400 peak 117 spectrum 1 weight 0.10000E+01 volume 0.98006E-04 ppm1 7.696 ppm2 2.264 CV 1
ASSI { 119}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 12 and name HB% )
3.400 1.400 1.400 peak 119 spectrum 1 weight 0.10000E+01 volume 0.56121E-03 ppm1 7.585 ppm2 1.479 CV 1
ASSI { 120}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HB2 ))
2.500 0.800 0.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.16624E-02 ppm1 7.585 ppm2 1.726 CV 1
ASSI { 122}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 10 and name HB2 ))
3.300 3.300 2.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.26426E-03 ppm1 7.585 ppm2 2.003 CV 1
ASSI { 123}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HG2 ))
3.900 1.900 1.900 peak 123 spectrum 1 weight 0.10000E+01 volume 0.43436E-03 ppm1 7.585 ppm2 2.464 CV 1
OR { 123}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HG3 ))
ASSI { 124}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
3.400 1.400 1.400 peak 124 spectrum 1 weight 0.10000E+01 volume 0.65342E-03 ppm1 7.585 ppm2 4.030 CV 1
ASSI { 125}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HA ))
3.500 1.500 1.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.42571E-03 ppm1 7.585 ppm2 4.203 CV 1
ASSI { 126}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 10 and name HA ))
3.700 1.700 1.700 peak 126 spectrum 1 weight 0.10000E+01 volume 0.29790E-03 ppm1 7.585 ppm2 4.374 CV 1
ASSI { 127}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 7 and name HG2%)
5.000 3.100 1.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.12493E-03 ppm1 7.695 ppm2 0.810 CV 1
ASSI { 130}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HN ))
3.200 1.300 1.300 peak 130 spectrum 1 weight 0.10000E+01 volume 0.56313E-03 ppm1 7.585 ppm2 8.364 CV 1
ASSI { 133}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HG2 ))
3.600 1.600 1.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.55449E-03 ppm1 8.362 ppm2 2.471 CV 1
OR { 133}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HG3 ))
ASSI { 134}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB3 ))
4.400 2.400 1.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.36710E-03 ppm1 8.362 ppm2 2.244 CV 1
ASSI { 135}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB2 ))
2.000 2.000 4.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.13455E-01 ppm1 8.362 ppm2 1.767 CV 1
ASSI { 136}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 13 and name HD1%)
4.000 2.000 2.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.39497E-03 ppm1 8.362 ppm2 0.905 CV 1
ASSI { 137}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HA ))
1.800 1.800 4.200 peak 137 spectrum 1 weight 0.10000E+01 volume 0.21141E-01 ppm1 8.362 ppm2 4.197 CV 1
ASSI { 138}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA ))
3.900 1.900 1.900 peak 138 spectrum 1 weight 0.10000E+01 volume 0.22487E-03 ppm1 8.362 ppm2 4.344 CV 1
ASSI { 145}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB3 ))
3.400 1.500 1.500 peak 145 spectrum 1 weight 0.10000E+01 volume 0.72762E-03 ppm1 8.175 ppm2 2.252 CV 1
ASSI { 146}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB2 ))
3.200 1.300 1.300 peak 146 spectrum 1 weight 0.10000E+01 volume 0.48626E-03 ppm1 8.175 ppm2 2.049 CV 1
ASSI { 148}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 13 and name HN ))
4.500 2.500 1.500 peak 148 spectrum 1 weight 0.10000E+01 volume 0.24217E-03 ppm1 8.175 ppm2 7.585 CV 1
ASSI { 151}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HN ))
3.200 1.300 1.300 peak 151 spectrum 1 weight 0.10000E+01 volume 0.61789E-03 ppm1 8.175 ppm2 8.366 CV 1
ASSI { 153}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 77 and name HB% )
4.500 2.600 1.500 peak 153 spectrum 1 weight 0.10000E+01 volume 0.40265E-03 ppm1 7.842 ppm2 1.328 CV 1
ASSI { 154}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 78 and name HD1%)
5.300 3.500 0.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.46608E-04 ppm1 7.842 ppm2 0.904 CV 1
ASSI { 155}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB3 ))
4.000 2.000 2.000 peak 155 spectrum 1 weight 0.10000E+01 volume 0.44973E-03 ppm1 7.842 ppm2 1.752 CV 1
ASSI { 156}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HD2 ))
3.600 1.600 1.600 peak 156 spectrum 1 weight 0.10000E+01 volume 0.66307E-03 ppm1 7.842 ppm2 2.320 CV 1
ASSI { 157}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HD3 ))
2.000 0.500 0.500 peak 157 spectrum 1 weight 0.10000E+01 volume 0.49491E-02 ppm1 7.842 ppm2 2.560 CV 1
ASSI { 158}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA1 ))
3.800 1.800 1.800 peak 158 spectrum 1 weight 0.10000E+01 volume 0.48434E-03 ppm1 7.842 ppm2 3.622 CV 1
ASSI { 159}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA2 ))
3.000 1.200 1.200 peak 159 spectrum 1 weight 0.10000E+01 volume 0.59869E-03 ppm1 7.842 ppm2 4.343 CV 1
ASSI { 160}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HA ))
3.300 1.300 1.300 peak 160 spectrum 1 weight 0.10000E+01 volume 0.41514E-03 ppm1 7.842 ppm2 5.238 CV 1
ASSI { 162}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HN ))
4.000 2.000 2.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.28254E-03 ppm1 7.842 ppm2 8.180 CV 1
ASSI { 163}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HN ))
3.800 1.800 1.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.54391E-03 ppm1 7.842 ppm2 9.115 CV 1
ASSI { 165}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 76 and name HB2 ))
4.000 2.000 2.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.19989E-03 ppm1 9.105 ppm2 2.904 CV 1
OR { 165}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 76 and name HB3 ))
ASSI { 167}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB3 ))
4.600 2.600 1.400 peak 167 spectrum 1 weight 0.10000E+01 volume 0.16816E-03 ppm1 9.105 ppm2 2.253 CV 1
ASSI { 168}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB2 ))
3.200 1.300 1.300 peak 168 spectrum 1 weight 0.10000E+01 volume 0.15759E-02 ppm1 9.105 ppm2 1.589 CV 1
ASSI { 170}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 77 and name HB% )
3.500 1.500 1.500 peak 170 spectrum 1 weight 0.10000E+01 volume 0.76981E-03 ppm1 9.105 ppm2 1.332 CV 1
ASSI { 171}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 11 and name HD2%)
4.200 2.200 1.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.31328E-03 ppm1 9.105 ppm2 0.881 CV 1
ASSI { 172}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA ))
3.900 1.900 1.900 peak 172 spectrum 1 weight 0.10000E+01 volume 0.16337E-03 ppm1 9.105 ppm2 5.132 CV 1
ASSI { 179}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 21 and name HG3 ))
3.400 1.500 1.500 peak 179 spectrum 1 weight 0.10000E+01 volume 0.56794E-03 ppm1 9.003 ppm2 2.443 CV 1
OR { 179}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 21 and name HG2 ))
ASSI { 185}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB2 ))
3.800 1.800 1.800 peak 185 spectrum 1 weight 0.10000E+01 volume 0.66012E-03 ppm1 8.646 ppm2 1.552 CV 1
ASSI { 186}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 21 and name HN ))
3.800 1.800 1.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.32289E-03 ppm1 9.003 ppm2 7.061 CV 1
ASSI { 190}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 19 and name HB% )
2.700 0.900 0.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.13646E-02 ppm1 10.079 ppm2 1.424 CV 1
ASSI { 191}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 33 and name HG2%)
5.400 3.700 0.600 peak 191 spectrum 1 weight 0.10000E+01 volume 0.76598E-04 ppm1 10.079 ppm2 0.727 CV 1
ASSI { 193}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 74 and name HG2 ))
4.300 2.300 1.700 peak 193 spectrum 1 weight 0.10000E+01 volume 0.25082E-03 ppm1 10.079 ppm2 1.800 CV 1
ASSI { 196}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA ))
2.300 0.700 0.700 peak 196 spectrum 1 weight 0.10000E+01 volume 0.24985E-02 ppm1 10.079 ppm2 4.711 CV 1
ASSI { 197}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 21 and name HN ))
3.500 1.600 1.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.77841E-03 ppm1 10.079 ppm2 7.066 CV 1
ASSI { 199}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 76 and name HN ))
6.000 6.000 0.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.14896E-04 ppm1 10.079 ppm2 9.026 CV 1
ASSI { 201}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HG ))
2.700 0.900 0.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.85718E-03 ppm1 8.646 ppm2 1.780 CV 1
ASSI { 202}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 19 and name HB% )
3.200 1.300 1.300 peak 202 spectrum 1 weight 0.10000E+01 volume 0.67266E-03 ppm1 9.135 ppm2 1.403 CV 1
ASSI { 204}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB2 ))
3.200 1.300 1.300 peak 204 spectrum 1 weight 0.10000E+01 volume 0.11916E-02 ppm1 9.135 ppm2 1.764 CV 1
ASSI { 206}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 18 and name HB3 ))
4.100 2.100 1.900 peak 206 spectrum 1 weight 0.10000E+01 volume 0.26139E-03 ppm1 9.135 ppm2 2.233 CV 1
ASSI { 207}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA ))
2.000 2.000 4.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.12493E-01 ppm1 9.135 ppm2 3.821 CV 1
ASSI { 208}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
3.500 1.500 1.500 peak 208 spectrum 1 weight 0.10000E+01 volume 0.35557E-03 ppm1 9.135 ppm2 4.384 CV 1
ASSI { 214}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HN ))
3.500 1.500 1.500 peak 214 spectrum 1 weight 0.10000E+01 volume 0.25658E-03 ppm1 9.135 ppm2 10.062 CV 1
ASSI { 215}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 7 and name HG2%)
3.300 3.300 2.700 peak 215 spectrum 1 weight 0.10000E+01 volume 0.14222E-02 ppm1 9.135 ppm2 0.799 CV 1
ASSI { 216}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 18 and name HA ))
3.600 1.600 1.600 peak 216 spectrum 1 weight 0.10000E+01 volume 0.91471E-03 ppm1 9.135 ppm2 4.725 CV 1
ASSI { 217}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HG2 ))
3.200 1.300 1.300 peak 217 spectrum 1 weight 0.10000E+01 volume 0.79951E-03 ppm1 7.068 ppm2 2.448 CV 1
OR { 217}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HG3 ))
ASSI { 218}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 18 and name HB3 ))
3.800 1.800 1.800 peak 218 spectrum 1 weight 0.10000E+01 volume 0.53143E-03 ppm1 7.068 ppm2 2.205 CV 1
ASSI { 219}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HB3 ))
4.500 2.600 1.500 peak 219 spectrum 1 weight 0.10000E+01 volume 0.50644E-03 ppm1 7.068 ppm2 1.944 CV 1
ASSI { 220}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 18 and name HB2 ))
2.900 2.900 3.100 peak 220 spectrum 1 weight 0.10000E+01 volume 0.83992E-03 ppm1 7.068 ppm2 1.592 CV 1
ASSI { 225}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 74 and name HG2 ))
3.900 1.900 1.900 peak 225 spectrum 1 weight 0.10000E+01 volume 0.35171E-03 ppm1 7.734 ppm2 1.780 CV 1
ASSI { 226}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HN ))
3.100 1.200 1.200 peak 226 spectrum 1 weight 0.10000E+01 volume 0.62946E-03 ppm1 7.068 ppm2 7.700 CV 1
ASSI { 230}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HN ))
2.900 1.100 1.100 peak 230 spectrum 1 weight 0.10000E+01 volume 0.88396E-03 ppm1 7.068 ppm2 9.133 CV 1
ASSI { 232}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HG ))
2.900 1.100 1.100 peak 232 spectrum 1 weight 0.10000E+01 volume 0.50741E-03 ppm1 7.696 ppm2 1.534 CV 1
ASSI { 233}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB2 ))
3.300 1.400 1.400 peak 233 spectrum 1 weight 0.10000E+01 volume 0.35653E-03 ppm1 7.697 ppm2 1.237 CV 1
ASSI { 234}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 22 and name HD2%)
2.500 0.800 0.800 peak 234 spectrum 1 weight 0.10000E+01 volume 0.65634E-02 ppm1 7.698 ppm2 0.862 CV 1
ASSI { 238}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HG2 ))
2.000 0.500 0.500 peak 238 spectrum 1 weight 0.10000E+01 volume 0.80136E-02 ppm1 7.697 ppm2 2.463 CV 1
OR { 238}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HG3 ))
ASSI { 239}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HA ))
3.200 1.300 1.300 peak 239 spectrum 1 weight 0.10000E+01 volume 0.50452E-03 ppm1 7.697 ppm2 3.860 CV 1
ASSI { 241}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB2 ))
4.700 2.800 1.300 peak 241 spectrum 1 weight 0.10000E+01 volume 0.39497E-04 ppm1 7.734 ppm2 1.740 CV 1
ASSI { 242}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HN ))
3.200 1.200 1.200 peak 242 spectrum 1 weight 0.10000E+01 volume 0.51316E-03 ppm1 7.697 ppm2 7.904 CV 1
ASSI { 243}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 19 and name HA ))
4.100 2.100 1.900 peak 243 spectrum 1 weight 0.10000E+01 volume 0.18644E-03 ppm1 7.905 ppm2 3.811 CV 1
ASSI { 244}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB3 ))
3.400 1.400 1.400 peak 244 spectrum 1 weight 0.10000E+01 volume 0.45839E-03 ppm1 7.905 ppm2 3.909 CV 1
ASSI { 247}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 20 and name HA ))
3.600 1.600 1.600 peak 247 spectrum 1 weight 0.10000E+01 volume 0.30848E-03 ppm1 7.905 ppm2 4.385 CV 1
ASSI { 249}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 21 and name HN ))
3.900 2.000 2.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.22198E-03 ppm1 7.905 ppm2 7.072 CV 1
ASSI { 252}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 32 and name HD1%)
3.200 1.300 1.300 peak 252 spectrum 1 weight 0.10000E+01 volume 0.56699E-03 ppm1 7.734 ppm2 0.824 CV 1
ASSI { 253}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB3 ))
4.100 2.100 1.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.40169E-03 ppm1 7.905 ppm2 1.973 CV 1
ASSI { 256}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB2 ))
3.600 1.600 1.600 peak 256 spectrum 1 weight 0.10000E+01 volume 0.20852E-03 ppm1 7.905 ppm2 1.239 CV 1
ASSI { 259}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 33 and name HD1%)
5.600 3.900 0.400 peak 259 spectrum 1 weight 0.10000E+01 volume 0.47472E-04 ppm1 7.905 ppm2 0.442 CV 1
ASSI { 262}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HB2 ))
3.300 1.400 1.400 peak 262 spectrum 1 weight 0.10000E+01 volume 0.22295E-02 ppm1 7.523 ppm2 1.863 CV 1
OR { 262}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HB3 ))
ASSI { 263}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB2 ))
3.900 1.900 1.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.30848E-03 ppm1 7.524 ppm2 3.769 CV 1
ASSI { 264}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB3 ))
3.200 1.300 1.300 peak 264 spectrum 1 weight 0.10000E+01 volume 0.51509E-03 ppm1 7.523 ppm2 3.917 CV 1
ASSI { 265}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA ))
3.200 1.300 1.300 peak 265 spectrum 1 weight 0.10000E+01 volume 0.67557E-03 ppm1 7.523 ppm2 4.151 CV 1
ASSI { 266}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 21 and name HA ))
3.600 1.600 1.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.34979E-03 ppm1 7.523 ppm2 4.336 CV 1
ASSI { 268}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HN ))
3.100 1.200 1.200 peak 268 spectrum 1 weight 0.10000E+01 volume 0.67458E-03 ppm1 7.523 ppm2 7.910 CV 1
ASSI { 269}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HN ))
3.200 1.300 1.300 peak 269 spectrum 1 weight 0.10000E+01 volume 0.52854E-03 ppm1 7.523 ppm2 8.473 CV 1
ASSI { 270}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 24 and name HB% )
3.300 1.300 1.300 peak 270 spectrum 1 weight 0.10000E+01 volume 0.68800E-03 ppm1 8.476 ppm2 1.533 CV 1
ASSI { 271}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB2 ))
2.800 1.000 1.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.12013E-02 ppm1 8.476 ppm2 1.847 CV 1
OR { 271}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB3 ))
ASSI { 273}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HD2 ))
4.100 2.100 1.900 peak 273 spectrum 1 weight 0.10000E+01 volume 0.40841E-03 ppm1 8.476 ppm2 3.204 CV 1
OR { 273}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HD3 ))
ASSI { 274}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 22 and name HA ))
3.500 1.600 1.600 peak 274 spectrum 1 weight 0.10000E+01 volume 0.33249E-03 ppm1 8.476 ppm2 3.860 CV 1
ASSI { 275}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HA ))
3.500 1.500 1.500 peak 275 spectrum 1 weight 0.10000E+01 volume 0.53623E-03 ppm1 8.476 ppm2 4.145 CV 1
ASSI { 277}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HN ))
3.200 1.300 1.300 peak 277 spectrum 1 weight 0.10000E+01 volume 0.48722E-03 ppm1 8.476 ppm2 7.971 CV 1
ASSI { 280}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HB2 ))
3.100 1.200 1.200 peak 280 spectrum 1 weight 0.10000E+01 volume 0.73225E-03 ppm1 7.972 ppm2 1.628 CV 1
OR { 280}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HB3 ))
ASSI { 281}
(( segid " " and resid 26 and name HN ))
( segid " " and resid 26 and name HD1%)
4.400 2.500 1.600 peak 281 spectrum 1 weight 0.10000E+01 volume 0.27773E-03 ppm1 7.972 ppm2 0.635 CV 1
ASSI { 282}
(( segid " " and resid 26 and name HN ))
( segid " " and resid 26 and name HD2%)
3.800 1.800 1.800 peak 282 spectrum 1 weight 0.10000E+01 volume 0.30751E-03 ppm1 7.972 ppm2 0.802 CV 1
ASSI { 283}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HB2 ))
3.500 1.500 1.500 peak 283 spectrum 1 weight 0.10000E+01 volume 0.41514E-03 ppm1 7.972 ppm2 1.844 CV 1
OR { 283}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HB3 ))
ASSI { 286}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HA ))
3.500 1.500 1.500 peak 286 spectrum 1 weight 0.10000E+01 volume 0.39305E-03 ppm1 7.972 ppm2 4.474 CV 1
ASSI { 287}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 27 and name HN ))
1.800 0.400 0.400 peak 287 spectrum 1 weight 0.10000E+01 volume 0.14509E-01 ppm1 7.972 ppm2 7.768 CV 1
ASSI { 288}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 24 and name HN ))
3.900 1.900 1.900 peak 288 spectrum 1 weight 0.10000E+01 volume 0.37863E-03 ppm1 7.972 ppm2 7.506 CV 1
ASSI { 291}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 28 and name HB ))
2.200 2.200 3.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.13455E-01 ppm1 7.972 ppm2 3.402 CV 1
ASSI { 292}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HG ))
3.600 1.600 1.600 peak 292 spectrum 1 weight 0.10000E+01 volume 0.41131E-03 ppm1 7.972 ppm2 1.583 CV 1
ASSI { 294}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
2.200 0.600 0.600 peak 294 spectrum 1 weight 0.10000E+01 volume 0.49586E-02 ppm1 9.028 ppm2 5.138 CV 1
ASSI { 295}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA ))
3.900 1.900 1.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.21911E-03 ppm1 7.766 ppm2 4.473 CV 1
ASSI { 296}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 24 and name HA ))
1.700 1.700 4.300 peak 296 spectrum 1 weight 0.10000E+01 volume 0.31522E-01 ppm1 7.766 ppm2 4.148 CV 1
ASSI { 297}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HA ))
2.800 0.900 0.900 peak 297 spectrum 1 weight 0.10000E+01 volume 0.11148E-02 ppm1 7.766 ppm2 3.950 CV 1
ASSI { 298}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HG2 ))
4.500 2.500 1.500 peak 298 spectrum 1 weight 0.10000E+01 volume 0.10379E-03 ppm1 7.766 ppm2 2.271 CV 1
OR { 298}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HG3 ))
ASSI { 300}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB2 ))
4.200 2.200 1.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.20469E-03 ppm1 7.766 ppm2 2.054 CV 1
ASSI { 301}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 24 and name HB% )
2.900 2.900 3.100 peak 301 spectrum 1 weight 0.10000E+01 volume 0.51797E-03 ppm1 7.766 ppm2 1.531 CV 1
ASSI { 307}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HA ))
3.400 1.500 1.500 peak 307 spectrum 1 weight 0.10000E+01 volume 0.37767E-03 ppm1 8.041 ppm2 4.891 CV 1
ASSI { 309}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HN ))
1.800 1.800 4.200 peak 309 spectrum 1 weight 0.10000E+01 volume 0.31904E-01 ppm1 8.041 ppm2 7.776 CV 1
ASSI { 311}
(( segid " " and resid 28 and name HN ))
( segid " " and resid 28 and name HG2%)
4.300 2.300 1.700 peak 311 spectrum 1 weight 0.10000E+01 volume 0.35653E-03 ppm1 8.041 ppm2 1.225 CV 1
ASSI { 316}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HG2 ))
4.100 2.100 1.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.40938E-03 ppm1 9.149 ppm2 2.157 CV 1
OR { 316}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HB3 ))
ASSI { 317}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HB2 ))
2.700 0.900 0.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.13263E-02 ppm1 9.149 ppm2 2.060 CV 1
ASSI { 318}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 45 and name HB3 ))
6.000 6.000 0.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.47955E-06 ppm1 9.149 ppm2 1.909 CV 1
ASSI { 319}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HA ))
2.900 1.000 1.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.72649E-03 ppm1 9.149 ppm2 4.220 CV 1
ASSI { 321}
(( segid " " and resid 78 and name HN ))
( segid " " and resid 78 and name HD1%)
3.100 1.200 1.200 peak 321 spectrum 1 weight 0.10000E+01 volume 0.58044E-03 ppm1 8.844 ppm2 0.921 CV 1
ASSI { 324}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HB2 ))
3.100 1.200 1.200 peak 324 spectrum 1 weight 0.10000E+01 volume 0.56313E-03 ppm1 7.050 ppm2 1.442 CV 1
ASSI { 325}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HB2 ))
2.500 0.800 0.800 peak 325 spectrum 1 weight 0.10000E+01 volume 0.16913E-02 ppm1 7.052 ppm2 1.723 CV 1
ASSI { 326}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 29 and name HG2 ))
5.800 4.300 0.200 peak 326 spectrum 1 weight 0.10000E+01 volume 0.67458E-04 ppm1 7.050 ppm2 1.992 CV 1
ASSI { 327}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 33 and name HB ))
4.000 2.000 2.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.58908E-03 ppm1 7.050 ppm2 2.156 CV 1
ASSI { 329}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 29 and name HB3 ))
3.200 1.300 1.300 peak 329 spectrum 1 weight 0.10000E+01 volume 0.11723E-02 ppm1 7.050 ppm2 2.421 CV 1
ASSI { 330}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HB3 ))
6.000 5.000 0.000 peak 330 spectrum 1 weight 0.10000E+01 volume 0.36229E-04 ppm1 7.050 ppm2 2.351 CV 1
ASSI { 331}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HD2 ))
2.800 1.000 1.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.87748E-03 ppm1 7.050 ppm2 3.404 CV 1
ASSI { 332}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HD3 ))
3.800 1.800 1.800 peak 332 spectrum 1 weight 0.10000E+01 volume 0.52085E-03 ppm1 7.050 ppm2 3.766 CV 1
ASSI { 334}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HA ))
3.000 1.100 1.100 peak 334 spectrum 1 weight 0.10000E+01 volume 0.92258E-03 ppm1 7.050 ppm2 4.383 CV 1
ASSI { 336}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 33 and name HN ))
2.800 1.000 1.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.83707E-03 ppm1 7.050 ppm2 7.227 CV 1
ASSI { 337}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 34 and name HN ))
2.700 2.700 3.300 peak 337 spectrum 1 weight 0.10000E+01 volume 0.30367E-02 ppm1 7.050 ppm2 9.029 CV 1
ASSI { 340}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 30 and name HA ))
4.100 2.100 1.900 peak 340 spectrum 1 weight 0.10000E+01 volume 0.26139E-03 ppm1 7.232 ppm2 3.766 CV 1
ASSI { 341}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HA ))
3.900 1.900 1.900 peak 341 spectrum 1 weight 0.10000E+01 volume 0.19700E-03 ppm1 7.232 ppm2 4.166 CV 1
ASSI { 342}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HA ))
3.400 1.500 1.500 peak 342 spectrum 1 weight 0.10000E+01 volume 0.27293E-03 ppm1 7.232 ppm2 3.593 CV 1
ASSI { 344}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HB ))
3.200 1.300 1.300 peak 344 spectrum 1 weight 0.10000E+01 volume 0.49875E-03 ppm1 7.232 ppm2 2.177 CV 1
ASSI { 345}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HB3 ))
3.100 1.200 1.200 peak 345 spectrum 1 weight 0.10000E+01 volume 0.36516E-03 ppm1 7.232 ppm2 1.785 CV 1
ASSI { 347}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 28 and name HG2%)
3.700 1.700 1.700 peak 347 spectrum 1 weight 0.10000E+01 volume 0.44109E-03 ppm1 7.232 ppm2 1.228 CV 1
ASSI { 349}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 33 and name HG2%)
5.200 3.400 0.800 peak 349 spectrum 1 weight 0.10000E+01 volume 0.13839E-03 ppm1 7.231 ppm2 0.735 CV 1
ASSI { 350}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 33 and name HD1%)
4.300 2.300 1.700 peak 350 spectrum 1 weight 0.10000E+01 volume 0.21622E-03 ppm1 7.232 ppm2 0.450 CV 1
ASSI { 355}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HB ))
3.200 1.300 1.300 peak 355 spectrum 1 weight 0.10000E+01 volume 0.43916E-03 ppm1 9.040 ppm2 2.179 CV 1
ASSI { 356}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB2 ))
3.100 1.200 1.200 peak 356 spectrum 1 weight 0.10000E+01 volume 0.66393E-03 ppm1 9.040 ppm2 2.597 CV 1
OR { 356}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB3 ))
ASSI { 357}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 33 and name HG2%)
4.100 2.100 1.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.24600E-03 ppm1 9.040 ppm2 0.724 CV 1
ASSI { 359}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 30 and name HA ))
2.600 2.600 3.400 peak 359 spectrum 1 weight 0.10000E+01 volume 0.56409E-02 ppm1 9.040 ppm2 3.774 CV 1
ASSI { 360}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HA ))
3.200 1.300 1.300 peak 360 spectrum 1 weight 0.10000E+01 volume 0.44878E-03 ppm1 9.040 ppm2 4.016 CV 1
ASSI { 362}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 31 and name HA ))
2.600 2.600 3.400 peak 362 spectrum 1 weight 0.10000E+01 volume 0.21718E-02 ppm1 9.040 ppm2 4.386 CV 1
ASSI { 363}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HN ))
3.000 1.100 1.100 peak 363 spectrum 1 weight 0.10000E+01 volume 0.67167E-03 ppm1 9.040 ppm2 7.247 CV 1
ASSI { 366}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 74 and name HN ))
5.900 4.400 0.100 peak 366 spectrum 1 weight 0.10000E+01 volume 0.41514E-04 ppm1 9.040 ppm2 8.414 CV 1
ASSI { 369}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB3 ))
3.600 1.600 1.600 peak 369 spectrum 1 weight 0.10000E+01 volume 0.46224E-03 ppm1 7.734 ppm2 2.187 CV 1
ASSI { 370}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HG2 ))
4.600 2.700 1.400 peak 370 spectrum 1 weight 0.10000E+01 volume 0.16144E-03 ppm1 7.734 ppm2 2.308 CV 1
ASSI { 371}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HG3 ))
3.900 1.900 1.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.36326E-03 ppm1 7.734 ppm2 2.684 CV 1
ASSI { 373}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 32 and name HA ))
4.100 2.100 1.900 peak 373 spectrum 1 weight 0.10000E+01 volume 0.20661E-03 ppm1 7.734 ppm2 4.162 CV 1
ASSI { 376}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 74 and name HN ))
4.100 2.100 1.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.36805E-03 ppm1 7.734 ppm2 8.416 CV 1
ASSI { 377}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 34 and name HN ))
4.200 2.200 1.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.20758E-03 ppm1 7.734 ppm2 9.064 CV 1
ASSI { 378}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HB2 ))
3.200 1.300 1.300 peak 378 spectrum 1 weight 0.10000E+01 volume 0.70540E-03 ppm1 7.329 ppm2 2.595 CV 1
OR { 378}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HB3 ))
ASSI { 379}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HA ))
3.700 1.700 1.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.22582E-03 ppm1 7.329 ppm2 3.992 CV 1
ASSI { 380}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HA ))
3.200 1.300 1.300 peak 380 spectrum 1 weight 0.10000E+01 volume 0.57850E-03 ppm1 7.329 ppm2 4.142 CV 1
ASSI { 381}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 31 and name HA ))
2.700 2.700 3.300 peak 381 spectrum 1 weight 0.10000E+01 volume 0.75050E-03 ppm1 7.329 ppm2 4.374 CV 1
ASSI { 384}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 35 and name HB% )
2.900 1.100 1.100 peak 384 spectrum 1 weight 0.10000E+01 volume 0.10763E-02 ppm1 7.329 ppm2 1.442 CV 1
ASSI { 385}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 33 and name HG12))
2.300 2.300 3.700 peak 385 spectrum 1 weight 0.10000E+01 volume 0.22006E-02 ppm1 7.329 ppm2 0.843 CV 1
ASSI { 387}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 36 and name HN ))
3.100 1.200 1.200 peak 387 spectrum 1 weight 0.10000E+01 volume 0.56699E-03 ppm1 7.329 ppm2 7.742 CV 1
ASSI { 389}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HN ))
3.400 1.400 1.400 peak 389 spectrum 1 weight 0.10000E+01 volume 0.37671E-03 ppm1 7.329 ppm2 9.040 CV 1
ASSI { 390}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 74 and name HN ))
4.400 2.400 1.600 peak 390 spectrum 1 weight 0.10000E+01 volume 0.34499E-03 ppm1 7.329 ppm2 8.406 CV 1
ASSI { 391}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HB2 ))
2.600 0.900 0.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.10091E-02 ppm1 7.783 ppm2 -0.832 CV 1
ASSI { 392}
(( segid " " and resid 38 and name HN ))
( segid " " and resid 37 and name HD2%)
4.000 2.000 2.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.54871E-03 ppm1 7.783 ppm2 0.035 CV 1
ASSI { 393}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HB3 ))
4.000 2.000 2.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.35557E-03 ppm1 7.783 ppm2 0.957 CV 1
ASSI { 394}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB2 ))
3.000 1.100 1.100 peak 394 spectrum 1 weight 0.10000E+01 volume 0.74475E-03 ppm1 7.783 ppm2 2.091 CV 1
OR { 394}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB3 ))
ASSI { 395}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HG2 ))
4.100 2.100 1.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.75156E-03 ppm1 7.783 ppm2 2.291 CV 1
ASSI { 396}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HG3 ))
4.300 2.300 1.700 peak 396 spectrum 1 weight 0.10000E+01 volume 0.51797E-03 ppm1 7.783 ppm2 2.553 CV 1
ASSI { 397}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HA ))
3.000 1.100 1.100 peak 397 spectrum 1 weight 0.10000E+01 volume 0.87841E-03 ppm1 7.783 ppm2 4.040 CV 1
ASSI { 398}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 35 and name HA ))
6.000 6.000 0.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.23353E-05 ppm1 7.783 ppm2 4.138 CV 1
ASSI { 400}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 74 and name HN ))
4.600 2.700 1.400 peak 400 spectrum 1 weight 0.10000E+01 volume 0.33347E-03 ppm1 7.783 ppm2 8.402 CV 1
ASSI { 403}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HG3 ))
3.800 1.800 1.800 peak 403 spectrum 1 weight 0.10000E+01 volume 0.10187E-02 ppm1 7.815 ppm2 1.772 CV 1
ASSI { 404}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HG2 ))
3.500 1.600 1.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.99950E-03 ppm1 7.815 ppm2 1.645 CV 1
ASSI { 405}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HB3 ))
2.100 0.500 0.500 peak 405 spectrum 1 weight 0.10000E+01 volume 0.68509E-02 ppm1 7.815 ppm2 2.076 CV 1
OR { 405}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HB2 ))
ASSI { 406}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 41 and name HB2 ))
6.000 6.000 0.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.40841E-05 ppm1 7.815 ppm2 2.322 CV 1
ASSI { 408}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HA ))
2.600 0.800 0.800 peak 408 spectrum 1 weight 0.10000E+01 volume 0.22871E-02 ppm1 7.815 ppm2 4.172 CV 1
ASSI { 410}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HN ))
3.300 1.300 1.300 peak 410 spectrum 1 weight 0.10000E+01 volume 0.44492E-03 ppm1 7.815 ppm2 8.570 CV 1
ASSI { 412}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HG2 ))
3.700 1.700 1.700 peak 412 spectrum 1 weight 0.10000E+01 volume 0.15280E-02 ppm1 8.575 ppm2 2.147 CV 1
ASSI { 413}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HG3 ))
4.400 2.400 1.600 peak 413 spectrum 1 weight 0.10000E+01 volume 0.41610E-03 ppm1 8.575 ppm2 2.855 CV 1
ASSI { 414}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HB3 ))
3.200 1.300 1.300 peak 414 spectrum 1 weight 0.10000E+01 volume 0.46896E-03 ppm1 8.574 ppm2 1.970 CV 1
OR { 414}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HB2 ))
ASSI { 415}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HG3 ))
4.100 2.100 1.900 peak 415 spectrum 1 weight 0.10000E+01 volume 0.53527E-03 ppm1 8.575 ppm2 1.773 CV 1
ASSI { 422}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 41 and name HN ))
3.100 1.200 1.200 peak 422 spectrum 1 weight 0.10000E+01 volume 0.58428E-03 ppm1 8.575 ppm2 9.142 CV 1
ASSI { 423}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 48 and name HB3 ))
3.900 1.900 1.900 peak 423 spectrum 1 weight 0.10000E+01 volume 0.47666E-03 ppm1 9.128 ppm2 0.851 CV 1
ASSI { 425}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HB2 ))
3.300 1.400 1.400 peak 425 spectrum 1 weight 0.10000E+01 volume 0.34692E-03 ppm1 9.128 ppm2 2.318 CV 1
ASSI { 426}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HB3 ))
3.800 1.800 1.800 peak 426 spectrum 1 weight 0.10000E+01 volume 0.19891E-03 ppm1 9.128 ppm2 2.602 CV 1
ASSI { 427}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HG2 ))
5.000 3.100 1.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.20084E-03 ppm1 9.128 ppm2 2.448 CV 1
OR { 427}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HG3 ))
ASSI { 428}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 38 and name HA ))
3.400 1.500 1.500 peak 428 spectrum 1 weight 0.10000E+01 volume 0.42571E-03 ppm1 9.128 ppm2 4.018 CV 1
ASSI { 429}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HA ))
3.300 1.300 1.300 peak 429 spectrum 1 weight 0.10000E+01 volume 0.46799E-03 ppm1 9.128 ppm2 4.241 CV 1
ASSI { 430}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 39 and name HN ))
2.600 2.600 3.400 peak 430 spectrum 1 weight 0.10000E+01 volume 0.32098E-02 ppm1 9.128 ppm2 7.818 CV 1
ASSI { 431}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 42 and name HN ))
3.300 1.400 1.400 peak 431 spectrum 1 weight 0.10000E+01 volume 0.40073E-03 ppm1 9.128 ppm2 8.028 CV 1
ASSI { 436}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HA ))
3.300 1.300 1.300 peak 436 spectrum 1 weight 0.10000E+01 volume 0.61886E-03 ppm1 8.039 ppm2 4.261 CV 1
ASSI { 437}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 38 and name HA ))
3.900 1.900 1.900 peak 437 spectrum 1 weight 0.10000E+01 volume 0.21622E-03 ppm1 8.039 ppm2 4.017 CV 1
ASSI { 438}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 43 and name HN ))
3.300 1.400 1.400 peak 438 spectrum 1 weight 0.10000E+01 volume 0.44781E-03 ppm1 8.039 ppm2 7.660 CV 1
ASSI { 439}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 39 and name HN ))
5.200 3.400 0.800 peak 439 spectrum 1 weight 0.10000E+01 volume 0.46128E-04 ppm1 8.039 ppm2 7.811 CV 1
ASSI { 441}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 40 and name HN ))
3.000 1.200 1.200 peak 441 spectrum 1 weight 0.10000E+01 volume 0.12686E-02 ppm1 8.039 ppm2 8.596 CV 1
ASSI { 443}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HB3 ))
3.700 1.700 1.700 peak 443 spectrum 1 weight 0.10000E+01 volume 0.24696E-03 ppm1 8.039 ppm2 2.605 CV 1
ASSI { 444}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 43 and name HG3 ))
4.200 2.200 1.800 peak 444 spectrum 1 weight 0.10000E+01 volume 0.31904E-03 ppm1 8.039 ppm2 2.823 CV 1
ASSI { 445}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HB2 ))
4.500 2.500 1.500 peak 445 spectrum 1 weight 0.10000E+01 volume 0.23831E-03 ppm1 8.039 ppm2 2.324 CV 1
ASSI { 446}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HG2 ))
4.300 2.300 1.700 peak 446 spectrum 1 weight 0.10000E+01 volume 0.39112E-03 ppm1 8.039 ppm2 2.441 CV 1
OR { 446}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HG3 ))
ASSI { 447}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 43 and name HB2 ))
3.800 1.800 1.800 peak 447 spectrum 1 weight 0.10000E+01 volume 0.77735E-03 ppm1 8.039 ppm2 2.015 CV 1
ASSI { 448}
(( segid " " and resid 42 and name HN ))
( segid " " and resid 42 and name HB% )
3.000 1.100 1.100 peak 448 spectrum 1 weight 0.10000E+01 volume 0.92721E-03 ppm1 8.039 ppm2 1.613 CV 1
ASSI { 449}
(( segid " " and resid 43 and name HN ))
( segid " " and resid 42 and name HB% )
3.500 1.600 1.600 peak 449 spectrum 1 weight 0.10000E+01 volume 0.41994E-03 ppm1 7.650 ppm2 1.613 CV 1
ASSI { 450}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HB2 ))
3.200 1.300 1.300 peak 450 spectrum 1 weight 0.10000E+01 volume 0.52566E-03 ppm1 7.650 ppm2 2.056 CV 1
ASSI { 451}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HB3 ))
4.000 2.000 2.000 peak 451 spectrum 1 weight 0.10000E+01 volume 0.34595E-03 ppm1 7.650 ppm2 2.382 CV 1
ASSI { 453}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HG3 ))
3.600 1.600 1.600 peak 453 spectrum 1 weight 0.10000E+01 volume 0.42762E-03 ppm1 7.650 ppm2 2.821 CV 1
ASSI { 456}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HA ))
3.500 1.500 1.500 peak 456 spectrum 1 weight 0.10000E+01 volume 0.42762E-03 ppm1 7.650 ppm2 4.411 CV 1
ASSI { 459}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 41 and name HN ))
3.400 1.500 1.500 peak 459 spectrum 1 weight 0.10000E+01 volume 0.94745E-03 ppm1 7.650 ppm2 9.150 CV 1
ASSI { 461}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HA1 ))
2.600 0.900 0.900 peak 461 spectrum 1 weight 0.10000E+01 volume 0.15953E-02 ppm1 8.036 ppm2 4.060 CV 1
ASSI { 462}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HA ))
3.700 1.800 1.800 peak 462 spectrum 1 weight 0.10000E+01 volume 0.31328E-03 ppm1 8.036 ppm2 4.422 CV 1
ASSI { 464}
(( segid " " and resid 44 and name HN ))
( segid " " and resid 42 and name HB% )
2.900 2.900 3.100 peak 464 spectrum 1 weight 0.10000E+01 volume 0.48529E-03 ppm1 8.036 ppm2 1.615 CV 1
ASSI { 466}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HN ))
3.300 1.400 1.400 peak 466 spectrum 1 weight 0.10000E+01 volume 0.41225E-03 ppm1 8.036 ppm2 7.656 CV 1
ASSI { 467}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HB2 ))
4.600 2.600 1.400 peak 467 spectrum 1 weight 0.10000E+01 volume 0.24025E-03 ppm1 7.667 ppm2 1.449 CV 1
ASSI { 468}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 45 and name HN ))
3.300 1.300 1.300 peak 468 spectrum 1 weight 0.10000E+01 volume 0.48722E-03 ppm1 8.036 ppm2 8.306 CV 1
ASSI { 471}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HB3 ))
3.500 1.500 1.500 peak 471 spectrum 1 weight 0.10000E+01 volume 0.97066E-03 ppm1 8.036 ppm2 2.366 CV 1
ASSI { 472}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HG3 ))
6.000 5.200 0.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.27195E-04 ppm1 8.036 ppm2 2.836 CV 1
ASSI { 478}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HB ))
3.000 1.100 1.100 peak 478 spectrum 1 weight 0.10000E+01 volume 0.11532E-02 ppm1 7.096 ppm2 2.316 CV 1
ASSI { 479}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 78 and name HG ))
2.700 2.700 3.300 peak 479 spectrum 1 weight 0.10000E+01 volume 0.78707E-02 ppm1 7.096 ppm2 1.437 CV 1
ASSI { 481}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HA ))
4.000 2.000 2.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.28060E-03 ppm1 7.096 ppm2 4.513 CV 1
ASSI { 482}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HA ))
3.500 1.500 1.500 peak 482 spectrum 1 weight 0.10000E+01 volume 0.38824E-03 ppm1 7.096 ppm2 5.287 CV 1
ASSI { 483}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HB3 ))
2.800 1.000 1.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.69290E-03 ppm1 7.667 ppm2 1.619 CV 1
ASSI { 484}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 44 and name HN ))
2.200 2.200 3.800 peak 484 spectrum 1 weight 0.10000E+01 volume 0.24890E-02 ppm1 7.096 ppm2 8.042 CV 1
ASSI { 485}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HN ))
3.000 1.100 1.100 peak 485 spectrum 1 weight 0.10000E+01 volume 0.87364E-03 ppm1 7.096 ppm2 8.299 CV 1
ASSI { 487}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB ))
3.100 1.200 1.200 peak 487 spectrum 1 weight 0.10000E+01 volume 0.72934E-03 ppm1 9.365 ppm2 1.898 CV 1
ASSI { 488}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HB ))
2.900 1.100 1.100 peak 488 spectrum 1 weight 0.10000E+01 volume 0.47761E-03 ppm1 9.365 ppm2 2.326 CV 1
ASSI { 491}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HA ))
3.300 1.300 1.300 peak 491 spectrum 1 weight 0.10000E+01 volume 0.43148E-03 ppm1 9.365 ppm2 4.753 CV 1
ASSI { 492}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HA ))
3.600 1.600 1.600 peak 492 spectrum 1 weight 0.10000E+01 volume 0.65537E-03 ppm1 9.365 ppm2 5.301 CV 1
ASSI { 496}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HB3 ))
4.100 2.100 1.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.20661E-03 ppm1 7.667 ppm2 1.716 CV 1
ASSI { 499}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 47 and name HG2%)
3.700 1.700 1.700 peak 499 spectrum 1 weight 0.10000E+01 volume 0.92258E-03 ppm1 8.263 ppm2 0.795 CV 1
ASSI { 500}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 47 and name HG1%)
5.200 3.400 0.800 peak 500 spectrum 1 weight 0.10000E+01 volume 0.68999E-04 ppm1 8.263 ppm2 0.745 CV 1
ASSI { 501}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HB3 ))
3.400 1.400 1.400 peak 501 spectrum 1 weight 0.10000E+01 volume 0.39399E-03 ppm1 8.263 ppm2 0.855 CV 1
ASSI { 502}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HG2 ))
3.100 1.200 1.200 peak 502 spectrum 1 weight 0.10000E+01 volume 0.71208E-03 ppm1 8.263 ppm2 0.348 CV 1
OR { 502}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HG3 ))
ASSI { 503}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HA ))
3.700 1.700 1.700 peak 503 spectrum 1 weight 0.10000E+01 volume 0.21813E-03 ppm1 8.263 ppm2 4.144 CV 1
ASSI { 504}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HA ))
2.900 1.000 1.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.94653E-03 ppm1 8.263 ppm2 4.755 CV 1
ASSI { 505}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HA ))
3.700 1.700 1.700 peak 505 spectrum 1 weight 0.10000E+01 volume 0.29406E-03 ppm1 7.667 ppm2 4.197 CV 1
ASSI { 507}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HN ))
2.800 2.800 3.200 peak 507 spectrum 1 weight 0.10000E+01 volume 0.25082E-02 ppm1 8.263 ppm2 9.360 CV 1
ASSI { 509}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HG13))
3.700 1.700 1.700 peak 509 spectrum 1 weight 0.10000E+01 volume 0.28158E-03 ppm1 9.048 ppm2 1.280 CV 1
ASSI { 510}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HB ))
3.400 1.500 1.500 peak 510 spectrum 1 weight 0.10000E+01 volume 0.33441E-03 ppm1 9.049 ppm2 1.628 CV 1
ASSI { 512}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HG12))
5.600 3.900 0.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.34979E-04 ppm1 9.049 ppm2 0.954 CV 1
ASSI { 513}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HG2 ))
3.200 1.300 1.300 peak 513 spectrum 1 weight 0.10000E+01 volume 0.15855E-02 ppm1 9.049 ppm2 0.353 CV 1
OR { 513}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HG3 ))
ASSI { 514}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 75 and name HB2 ))
3.200 1.300 1.300 peak 514 spectrum 1 weight 0.10000E+01 volume 0.10282E-02 ppm1 9.049 ppm2 2.901 CV 1
OR { 514}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 75 and name HB3 ))
ASSI { 517}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 76 and name HA ))
4.000 2.000 2.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.32673E-03 ppm1 9.049 ppm2 5.341 CV 1
ASSI { 520}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HB3 ))
3.300 1.300 1.300 peak 520 spectrum 1 weight 0.10000E+01 volume 0.54007E-03 ppm1 8.555 ppm2 3.744 CV 1
OR { 520}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HB2 ))
ASSI { 523}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 46 and name HA ))
4.300 2.300 1.700 peak 523 spectrum 1 weight 0.10000E+01 volume 0.51894E-03 ppm1 7.667 ppm2 5.302 CV 1
ASSI { 524}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 75 and name HN ))
3.900 1.900 1.900 peak 524 spectrum 1 weight 0.10000E+01 volume 0.34979E-03 ppm1 8.555 ppm2 9.020 CV 1
ASSI { 525}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HB ))
3.600 1.600 1.600 peak 525 spectrum 1 weight 0.10000E+01 volume 0.95228E-03 ppm1 8.555 ppm2 1.618 CV 1
ASSI { 526}
(( segid " " and resid 50 and name HN ))
( segid " " and resid 49 and name HG2%)
3.700 1.700 1.700 peak 526 spectrum 1 weight 0.10000E+01 volume 0.44205E-03 ppm1 8.555 ppm2 0.800 CV 1
ASSI { 530}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HB3 ))
3.600 1.600 1.600 peak 530 spectrum 1 weight 0.10000E+01 volume 0.22487E-03 ppm1 8.721 ppm2 2.092 CV 1
ASSI { 531}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HG3 ))
4.500 2.500 1.500 peak 531 spectrum 1 weight 0.10000E+01 volume 0.31810E-03 ppm1 8.721 ppm2 2.189 CV 1
OR { 531}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HG2 ))
ASSI { 532}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HB2 ))
4.200 2.300 1.800 peak 532 spectrum 1 weight 0.10000E+01 volume 0.34979E-03 ppm1 8.721 ppm2 3.735 CV 1
OR { 532}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HB3 ))
ASSI { 533}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HA ))
3.400 1.500 1.500 peak 533 spectrum 1 weight 0.10000E+01 volume 0.36998E-03 ppm1 8.721 ppm2 4.539 CV 1
ASSI { 534}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 74 and name HA ))
3.100 1.200 1.200 peak 534 spectrum 1 weight 0.10000E+01 volume 0.63810E-03 ppm1 8.721 ppm2 4.720 CV 1
ASSI { 538}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 47 and name HN ))
2.400 2.400 3.600 peak 538 spectrum 1 weight 0.10000E+01 volume 0.16241E-02 ppm1 7.667 ppm2 9.379 CV 1
ASSI { 543}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HB ))
3.700 1.700 1.700 peak 543 spectrum 1 weight 0.10000E+01 volume 0.32193E-03 ppm1 8.453 ppm2 4.201 CV 1
ASSI { 547}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HN ))
3.500 1.600 1.600 peak 547 spectrum 1 weight 0.10000E+01 volume 0.90327E-03 ppm1 8.453 ppm2 8.727 CV 1
ASSI { 548}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 53 and name HB3 ))
3.600 1.600 1.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.46512E-03 ppm1 8.469 ppm2 3.870 CV 1
ASSI { 550}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HB ))
4.100 2.100 1.900 peak 550 spectrum 1 weight 0.10000E+01 volume 0.40362E-03 ppm1 8.469 ppm2 4.206 CV 1
ASSI { 551}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HA ))
2.800 1.000 1.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.13934E-02 ppm1 8.469 ppm2 4.520 CV 1
ASSI { 552}
(( segid " " and resid 45 and name HN ))
( segid " " and resid 46 and name HG2%)
4.600 2.600 1.400 peak 552 spectrum 1 weight 0.10000E+01 volume 0.20084E-03 ppm1 8.302 ppm2 0.847 CV 1
ASSI { 554}
(( segid " " and resid 53 and name HN ))
( segid " " and resid 52 and name HG2%)
4.100 2.100 1.900 peak 554 spectrum 1 weight 0.10000E+01 volume 0.27581E-03 ppm1 8.469 ppm2 1.144 CV 1
ASSI { 555}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HA ))
1.900 0.500 0.500 peak 555 spectrum 1 weight 0.10000E+01 volume 0.12686E-01 ppm1 8.548 ppm2 4.469 CV 1
ASSI { 560}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HG2 ))
4.000 2.000 2.000 peak 560 spectrum 1 weight 0.10000E+01 volume 0.35653E-03 ppm1 8.548 ppm2 2.257 CV 1
OR { 560}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HG3 ))
ASSI { 561}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HB3 ))
1.700 1.700 4.300 peak 561 spectrum 1 weight 0.10000E+01 volume 0.24217E-01 ppm1 8.548 ppm2 2.037 CV 1
ASSI { 562}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HB2 ))
4.000 2.000 2.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.25851E-03 ppm1 8.548 ppm2 1.920 CV 1
ASSI { 563}
(( segid " " and resid 54 and name HN ))
( segid " " and resid 52 and name HG2%)
2.900 2.900 3.100 peak 563 spectrum 1 weight 0.10000E+01 volume 0.58331E-03 ppm1 8.548 ppm2 1.155 CV 1
ASSI { 567}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HA2 ))
3.000 1.100 1.100 peak 567 spectrum 1 weight 0.10000E+01 volume 0.12974E-02 ppm1 8.462 ppm2 3.928 CV 1
OR { 567}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HA1 ))
ASSI { 573}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HG2 ))
3.800 1.800 1.800 peak 573 spectrum 1 weight 0.10000E+01 volume 0.38535E-03 ppm1 8.462 ppm2 2.244 CV 1
OR { 573}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HG3 ))
ASSI { 578}
(( segid " " and resid 55 and name HN ))
( segid " " and resid 57 and name HD1%)
4.600 2.600 1.400 peak 578 spectrum 1 weight 0.10000E+01 volume 0.11821E-03 ppm1 8.462 ppm2 0.782 CV 1
ASSI { 579}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HA1 ))
3.200 1.300 1.300 peak 579 spectrum 1 weight 0.10000E+01 volume 0.87060E-03 ppm1 8.210 ppm2 3.932 CV 1
OR { 579}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HA2 ))
ASSI { 582}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 54 and name HG3 ))
4.500 2.500 1.500 peak 582 spectrum 1 weight 0.10000E+01 volume 0.81214E-04 ppm1 8.210 ppm2 2.246 CV 1
ASSI { 584}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HB2 ))
1.600 1.600 4.400 peak 584 spectrum 1 weight 0.10000E+01 volume 0.26715E-01 ppm1 8.302 ppm2 1.728 CV 1
ASSI { 585}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HN ))
3.400 1.500 1.500 peak 585 spectrum 1 weight 0.10000E+01 volume 0.54871E-03 ppm1 8.210 ppm2 8.454 CV 1
ASSI { 586}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HB2 ))
1.600 0.300 0.600 peak 586 spectrum 1 weight 0.10000E+01 volume 0.33249E-01 ppm1 8.466 ppm2 2.892 CV 1
OR { 586}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HB3 ))
ASSI { 587}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HB3 ))
3.200 1.300 1.300 peak 587 spectrum 1 weight 0.10000E+01 volume 0.10763E-02 ppm1 8.465 ppm2 1.630 CV 1
OR { 587}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HG ))
ASSI { 588}
(( segid " " and resid 57 and name HN ))
( segid " " and resid 57 and name HD2%)
3.400 1.500 1.500 peak 588 spectrum 1 weight 0.10000E+01 volume 0.99950E-03 ppm1 8.465 ppm2 0.845 CV 1
ASSI { 595}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HB3 ))
4.700 2.700 1.300 peak 595 spectrum 1 weight 0.10000E+01 volume 0.72649E-04 ppm1 8.302 ppm2 1.912 CV 1
ASSI { 597}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HB3 ))
3.400 1.500 1.500 peak 597 spectrum 1 weight 0.10000E+01 volume 0.54871E-03 ppm1 8.322 ppm2 3.858 CV 1
ASSI { 598}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HB3 ))
3.500 1.600 1.600 peak 598 spectrum 1 weight 0.10000E+01 volume 0.40362E-03 ppm1 8.323 ppm2 1.613 CV 1
ASSI { 599}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 57 and name HD1%)
3.000 3.000 3.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.45070E-03 ppm1 8.323 ppm2 0.808 CV 1
ASSI { 603}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 43 and name HB2 ))
1.800 1.800 4.200 peak 603 spectrum 1 weight 0.10000E+01 volume 0.95320E-02 ppm1 8.302 ppm2 2.032 CV 1
ASSI { 604}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 59 and name HN ))
6.000 5.500 0.000 peak 604 spectrum 1 weight 0.10000E+01 volume 0.77543E-05 ppm1 8.323 ppm2 8.486 CV 1
ASSI { 607}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HA1 ))
3.000 1.100 1.100 peak 607 spectrum 1 weight 0.10000E+01 volume 0.10955E-02 ppm1 8.477 ppm2 3.970 CV 1
OR { 607}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HA2 ))
ASSI { 608}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HB3 ))
6.000 4.500 0.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.34116E-04 ppm1 8.477 ppm2 3.880 CV 1
ASSI { 611}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 60 and name HN ))
2.700 0.900 0.900 peak 611 spectrum 1 weight 0.10000E+01 volume 0.20277E-02 ppm1 8.477 ppm2 8.229 CV 1
ASSI { 613}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HA1 ))
4.000 2.000 2.000 peak 613 spectrum 1 weight 0.10000E+01 volume 0.23159E-03 ppm1 8.229 ppm2 3.963 CV 1
OR { 613}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HA2 ))
ASSI { 614}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HB3 ))
2.500 2.500 3.500 peak 614 spectrum 1 weight 0.10000E+01 volume 0.54391E-02 ppm1 8.230 ppm2 3.866 CV 1
ASSI { 619}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 41 and name HA ))
1.800 0.400 0.400 peak 619 spectrum 1 weight 0.10000E+01 volume 0.10860E-01 ppm1 8.302 ppm2 4.242 CV 1
ASSI { 621}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HA ))
1.500 1.500 4.500 peak 621 spectrum 1 weight 0.10000E+01 volume 0.61502E-01 ppm1 8.230 ppm2 4.438 CV 1
ASSI { 623}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HA ))
3.400 1.400 1.400 peak 623 spectrum 1 weight 0.10000E+01 volume 0.40650E-03 ppm1 8.302 ppm2 4.520 CV 1
ASSI { 629}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HB2 ))
3.100 1.200 1.200 peak 629 spectrum 1 weight 0.10000E+01 volume 0.11340E-02 ppm1 8.413 ppm2 2.927 CV 1
OR { 629}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HB3 ))
ASSI { 642}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HA ))
1.700 1.700 4.300 peak 642 spectrum 1 weight 0.10000E+01 volume 0.48722E-01 ppm1 8.446 ppm2 4.508 CV 1
ASSI { 647}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HE3 ))
5.100 3.300 0.900 peak 647 spectrum 1 weight 0.10000E+01 volume 0.12108E-03 ppm1 8.446 ppm2 2.952 CV 1
OR { 647}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HE2 ))
ASSI { 650}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HB3 ))
3.800 1.800 1.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.27293E-03 ppm1 8.445 ppm2 1.816 CV 1
ASSI { 652}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HB2 ))
1.900 0.500 0.500 peak 652 spectrum 1 weight 0.10000E+01 volume 0.16528E-01 ppm1 8.445 ppm2 2.913 CV 1
OR { 652}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HB3 ))
ASSI { 654}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HA ))
4.000 2.000 2.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.18450E-03 ppm1 8.445 ppm2 4.288 CV 1
ASSI { 660}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HA ))
3.500 1.500 1.500 peak 660 spectrum 1 weight 0.10000E+01 volume 0.41899E-03 ppm1 8.249 ppm2 4.285 CV 1
ASSI { 663}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HB2 ))
1.900 1.900 4.100 peak 663 spectrum 1 weight 0.10000E+01 volume 0.29696E-01 ppm1 8.249 ppm2 3.840 CV 1
ASSI { 664}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HB3 ))
3.600 1.600 1.600 peak 664 spectrum 1 weight 0.10000E+01 volume 0.58812E-03 ppm1 8.249 ppm2 1.821 CV 1
ASSI { 666}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HN ))
4.900 3.000 1.100 peak 666 spectrum 1 weight 0.10000E+01 volume 0.67081E-04 ppm1 8.249 ppm2 8.462 CV 1
ASSI { 668}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HA ))
3.600 1.600 1.600 peak 668 spectrum 1 weight 0.10000E+01 volume 0.36516E-03 ppm1 8.259 ppm2 4.801 CV 1
ASSI { 669}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HA ))
3.100 1.200 1.200 peak 669 spectrum 1 weight 0.10000E+01 volume 0.98006E-03 ppm1 8.258 ppm2 4.418 CV 1
ASSI { 673}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 66 and name HA ))
3.500 1.500 1.500 peak 673 spectrum 1 weight 0.10000E+01 volume 0.45839E-03 ppm1 8.682 ppm2 4.225 CV 1
ASSI { 674}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HD2 ))
2.900 1.100 1.100 peak 674 spectrum 1 weight 0.10000E+01 volume 0.11916E-02 ppm1 8.682 ppm2 3.724 CV 1
OR { 674}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HD3 ))
ASSI { 676}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 64 and name HA ))
2.700 2.700 3.300 peak 676 spectrum 1 weight 0.10000E+01 volume 0.47472E-02 ppm1 8.682 ppm2 4.794 CV 1
ASSI { 677}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 67 and name HN ))
3.400 1.400 1.400 peak 677 spectrum 1 weight 0.10000E+01 volume 0.39497E-03 ppm1 8.682 ppm2 8.333 CV 1
ASSI { 680}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HG3 ))
3.200 1.300 1.300 peak 680 spectrum 1 weight 0.10000E+01 volume 0.66012E-03 ppm1 8.682 ppm2 1.977 CV 1
OR { 680}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HG2 ))
ASSI { 681}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 66 and name HB2 ))
4.600 2.700 1.400 peak 681 spectrum 1 weight 0.10000E+01 volume 0.84481E-04 ppm1 8.682 ppm2 1.930 CV 1
ASSI { 682}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 66 and name HB3 ))
6.000 6.000 0.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.31616E-05 ppm1 8.680 ppm2 2.037 CV 1
ASSI { 683}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HA ))
3.400 1.400 1.400 peak 683 spectrum 1 weight 0.10000E+01 volume 0.82080E-03 ppm1 8.320 ppm2 4.220 CV 1
ASSI { 685}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HA2 ))
3.400 1.400 1.400 peak 685 spectrum 1 weight 0.10000E+01 volume 0.91207E-03 ppm1 8.320 ppm2 3.967 CV 1
ASSI { 686}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 65 and name HG2 ))
3.300 3.300 2.700 peak 686 spectrum 1 weight 0.10000E+01 volume 0.98991E-03 ppm1 8.320 ppm2 1.978 CV 1
ASSI { 688}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HG3 ))
4.600 2.600 1.400 peak 688 spectrum 1 weight 0.10000E+01 volume 0.18354E-03 ppm1 8.320 ppm2 2.250 CV 1
OR { 688}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HG2 ))
ASSI { 690}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 68 and name HN ))
2.800 1.000 1.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.15665E-02 ppm1 8.320 ppm2 8.086 CV 1
ASSI { 693}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HG3 ))
3.900 1.900 1.900 peak 693 spectrum 1 weight 0.10000E+01 volume 0.33923E-03 ppm1 8.101 ppm2 1.378 CV 1
OR { 693}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HG2 ))
ASSI { 694}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HB2 ))
3.500 1.500 1.500 peak 694 spectrum 1 weight 0.10000E+01 volume 0.53429E-03 ppm1 8.101 ppm2 1.710 CV 1
ASSI { 697}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HA1 ))
3.600 1.600 1.600 peak 697 spectrum 1 weight 0.10000E+01 volume 0.42762E-03 ppm1 8.101 ppm2 3.856 CV 1
ASSI { 698}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HA2 ))
3.300 1.300 1.300 peak 698 spectrum 1 weight 0.10000E+01 volume 0.68404E-03 ppm1 8.101 ppm2 3.964 CV 1
ASSI { 699}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HA ))
3.500 1.600 1.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.39977E-03 ppm1 8.101 ppm2 4.296 CV 1
ASSI { 704}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HB3 ))
4.400 2.500 1.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.30559E-03 ppm1 8.301 ppm2 1.811 CV 1
ASSI { 705}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HB2 ))
3.900 1.900 1.900 peak 705 spectrum 1 weight 0.10000E+01 volume 0.63135E-03 ppm1 8.301 ppm2 1.687 CV 1
ASSI { 711}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HA ))
3.300 1.400 1.400 peak 711 spectrum 1 weight 0.10000E+01 volume 0.45935E-03 ppm1 8.277 ppm2 4.471 CV 1
ASSI { 712}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HA ))
3.000 1.100 1.100 peak 712 spectrum 1 weight 0.10000E+01 volume 0.13166E-02 ppm1 8.277 ppm2 4.267 CV 1
ASSI { 713}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HB3 ))
3.300 1.400 1.400 peak 713 spectrum 1 weight 0.10000E+01 volume 0.70156E-03 ppm1 8.277 ppm2 2.887 CV 1
OR { 713}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HB2 ))
ASSI { 714}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 70 and name HB% )
3.500 1.600 1.600 peak 714 spectrum 1 weight 0.10000E+01 volume 0.44878E-03 ppm1 8.277 ppm2 1.350 CV 1
ASSI { 718}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HA ))
2.300 0.600 0.600 peak 718 spectrum 1 weight 0.10000E+01 volume 0.30464E-02 ppm1 8.422 ppm2 4.460 CV 1
ASSI { 721}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HB2 ))
6.000 6.000 0.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.82365E-05 ppm1 8.424 ppm2 1.669 CV 1
ASSI { 722}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HB3 ))
1.600 1.600 4.400 peak 722 spectrum 1 weight 0.10000E+01 volume 0.49491E-01 ppm1 8.422 ppm2 1.733 CV 1
ASSI { 725}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HG3 ))
6.000 5.900 0.000 peak 725 spectrum 1 weight 0.10000E+01 volume 0.68040E-05 ppm1 8.423 ppm2 1.539 CV 1
ASSI { 728}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HG3 ))
1.600 0.300 0.600 peak 728 spectrum 1 weight 0.10000E+01 volume 0.35076E-01 ppm1 8.580 ppm2 1.971 CV 1
OR { 728}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HG2 ))
ASSI { 729}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HA ))
1.500 1.500 4.500 peak 729 spectrum 1 weight 0.10000E+01 volume 0.41322E-01 ppm1 8.580 ppm2 4.269 CV 1
ASSI { 730}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HA ))
1.900 0.500 0.500 peak 730 spectrum 1 weight 0.10000E+01 volume 0.10187E-01 ppm1 8.580 ppm2 4.469 CV 1
ASSI { 734}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HA ))
1.300 0.200 0.900 peak 734 spectrum 1 weight 0.10000E+01 volume 0.78615E-01 ppm1 8.396 ppm2 4.278 CV 1
ASSI { 735}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HA ))
3.000 1.100 1.100 peak 735 spectrum 1 weight 0.10000E+01 volume 0.61691E-03 ppm1 8.396 ppm2 4.748 CV 1
ASSI { 736}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HB2 ))
1.700 1.700 4.300 peak 736 spectrum 1 weight 0.10000E+01 volume 0.27869E-01 ppm1 8.396 ppm2 1.523 CV 1
ASSI { 737}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HB3 ))
2.600 0.800 0.800 peak 737 spectrum 1 weight 0.10000E+01 volume 0.29696E-02 ppm1 8.396 ppm2 1.666 CV 1
OR { 737}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HB2 ))
ASSI { 738}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HG2 ))
1.400 0.200 0.800 peak 738 spectrum 1 weight 0.10000E+01 volume 0.32673E-01 ppm1 8.396 ppm2 1.806 CV 1
ASSI { 739}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HG3 ))
4.600 2.600 1.400 peak 739 spectrum 1 weight 0.10000E+01 volume 0.21334E-03 ppm1 8.396 ppm2 1.880 CV 1
ASSI { 740}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HG3 ))
4.300 2.300 1.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.22102E-03 ppm1 8.396 ppm2 1.980 CV 1
ASSI { 743}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 75 and name HN ))
3.500 1.600 1.600 peak 743 spectrum 1 weight 0.10000E+01 volume 0.78509E-03 ppm1 8.396 ppm2 9.014 CV 1
ASSI { 747}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HA ))
2.900 1.000 1.000 peak 747 spectrum 1 weight 0.10000E+01 volume 0.71115E-03 ppm1 8.994 ppm2 4.748 CV 1
ASSI { 750}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HG3 ))
4.200 2.200 1.800 peak 750 spectrum 1 weight 0.10000E+01 volume 0.18644E-03 ppm1 8.994 ppm2 1.856 CV 1
ASSI { 751}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HB2 ))
3.100 1.200 1.200 peak 751 spectrum 1 weight 0.10000E+01 volume 0.72835E-03 ppm1 9.027 ppm2 2.903 CV 1
OR { 751}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HB3 ))
ASSI { 753}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HG2 ))
2.100 0.500 0.500 peak 753 spectrum 1 weight 0.10000E+01 volume 0.98006E-02 ppm1 9.026 ppm2 1.595 CV 1
OR { 753}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HG3 ))
ASSI { 754}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB3 ))
2.100 0.600 0.600 peak 754 spectrum 1 weight 0.10000E+01 volume 0.49779E-02 ppm1 9.026 ppm2 2.252 CV 1
ASSI { 756}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HA ))
3.300 1.400 1.400 peak 756 spectrum 1 weight 0.10000E+01 volume 0.43436E-03 ppm1 9.026 ppm2 5.354 CV 1
ASSI { 760}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 47 and name HN ))
3.400 1.500 1.500 peak 760 spectrum 1 weight 0.10000E+01 volume 0.34787E-03 ppm1 8.753 ppm2 9.361 CV 1
ASSI { 762}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HN ))
2.300 2.300 3.700 peak 762 spectrum 1 weight 0.10000E+01 volume 0.13166E-01 ppm1 8.753 ppm2 9.037 CV 1
ASSI { 763}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 46 and name HN ))
4.000 2.000 2.000 peak 763 spectrum 1 weight 0.10000E+01 volume 0.74078E-04 ppm1 8.753 ppm2 7.102 CV 1
ASSI { 766}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 48 and name HA ))
3.700 1.700 1.700 peak 766 spectrum 1 weight 0.10000E+01 volume 0.33249E-03 ppm1 8.753 ppm2 4.147 CV 1
ASSI { 767}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HB2 ))
4.400 2.400 1.600 peak 767 spectrum 1 weight 0.10000E+01 volume 0.37382E-03 ppm1 8.753 ppm2 2.893 CV 1
OR { 767}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HB3 ))
ASSI { 768}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 46 and name HB ))
4.100 2.100 1.900 peak 768 spectrum 1 weight 0.10000E+01 volume 0.26042E-03 ppm1 8.749 ppm2 2.310 CV 1
ASSI { 769}
(( segid " " and resid 77 and name HN ))
( segid " " and resid 77 and name HB% )
3.600 1.600 1.600 peak 769 spectrum 1 weight 0.10000E+01 volume 0.33826E-03 ppm1 8.753 ppm2 1.339 CV 1
ASSI { 770}
(( segid " " and resid 77 and name HN ))
( segid " " and resid 46 and name HG1%)
4.400 2.400 1.600 peak 770 spectrum 1 weight 0.10000E+01 volume 0.25946E-03 ppm1 8.753 ppm2 0.799 CV 1
ASSI { 772}
(( segid " " and resid 77 and name HN ))
( segid " " and resid 49 and name HD1%)
3.000 3.000 3.000 peak 772 spectrum 1 weight 0.10000E+01 volume 0.40841E-03 ppm1 8.753 ppm2 0.639 CV 1
ASSI { 773}
(( segid " " and resid 78 and name HN ))
( segid " " and resid 77 and name HB% )
3.600 1.600 1.600 peak 773 spectrum 1 weight 0.10000E+01 volume 0.33153E-03 ppm1 8.844 ppm2 1.330 CV 1
ASSI { 775}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 16 and name HG3 ))
2.700 2.700 3.300 peak 775 spectrum 1 weight 0.10000E+01 volume 0.93032E-03 ppm1 8.844 ppm2 1.501 CV 1
ASSI { 776}
(( segid " " and resid 78 and name HN ))
( segid " " and resid 11 and name HD1%)
4.400 2.400 1.600 peak 776 spectrum 1 weight 0.10000E+01 volume 0.21718E-03 ppm1 8.844 ppm2 0.611 CV 1
ASSI { 778}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HA ))
3.100 1.200 1.200 peak 778 spectrum 1 weight 0.10000E+01 volume 0.50741E-03 ppm1 8.844 ppm2 4.906 CV 1
ASSI { 779}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 79 and name HN ))
4.800 2.900 1.200 peak 779 spectrum 1 weight 0.10000E+01 volume 0.16048E-03 ppm1 8.844 ppm2 7.685 CV 1
ASSI { 4}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 6 and name HB3 ))
4.500 2.500 1.500 peak 4 spectrum 1 weight 0.10000E+01 volume 0.66724E-03 ppm1 4.308 ppm2 2.262 CV 1
ASSI { 8}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 3 and name HN ))
2.900 1.000 1.000 peak 8 spectrum 1 weight 0.10000E+01 volume 0.28281E-02 ppm1 4.308 ppm2 8.807 CV 1
ASSI { 10}
( segid " " and resid 2 and name HB% )
(( segid " " and resid 2 and name HA ))
3.300 1.300 1.300 peak 10 spectrum 1 weight 0.10000E+01 volume 0.15814E-02 ppm1 1.344 ppm2 4.331 CV 1
ASSI { 14}
( segid " " and resid 2 and name HB% )
( segid " " and resid 32 and name HD1%)
2.200 2.200 3.800 peak 14 spectrum 1 weight 0.10000E+01 volume 0.19916E-01 ppm1 1.344 ppm2 0.805 CV 1
ASSI { 15}
( segid " " and resid 2 and name HB% )
(( segid " " and resid 3 and name HN ))
3.800 1.800 1.800 peak 15 spectrum 1 weight 0.10000E+01 volume 0.16571E-02 ppm1 1.344 ppm2 8.805 CV 1
ASSI { 18}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HA ))
2.500 0.800 0.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.10914E-01 ppm1 3.916 ppm2 4.696 CV 1
ASSI { 19}
( segid " " and resid 2 and name HB% )
(( segid " " and resid 6 and name HN ))
4.600 2.700 1.400 peak 19 spectrum 1 weight 0.10000E+01 volume 0.41824E-03 ppm1 1.344 ppm2 7.683 CV 1
ASSI { 23}
(( segid " " and resid 3 and name HB3 ))
(( segid " " and resid 3 and name HB2 ))
2.000 0.500 0.500 peak 23 spectrum 1 weight 0.10000E+01 volume 0.10377E-01 ppm1 4.291 ppm2 3.908 CV 1
ASSI { 24}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB3 ))
6.000 4.500 0.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.699 ppm2 4.285 CV 1
ASSI { 26}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 4 and name HN ))
3.300 1.300 1.300 peak 26 spectrum 1 weight 0.10000E+01 volume 0.99375E-03 ppm1 1.735 ppm2 8.634 CV 1
ASSI { 27}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 4 and name HA ))
4.100 2.100 1.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.28878E-03 ppm1 1.735 ppm2 3.965 CV 1
ASSI { 30}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 4 and name HB2 ))
2.900 2.900 3.100 peak 30 spectrum 1 weight 0.10000E+01 volume 0.84640E-03 ppm1 1.735 ppm2 1.561 CV 1
ASSI { 32}
(( segid " " and resid 4 and name HB3 ))
( segid " " and resid 4 and name HD2%)
3.000 1.100 1.100 peak 32 spectrum 1 weight 0.10000E+01 volume 0.18145E-02 ppm1 1.735 ppm2 0.890 CV 1
ASSI { 35}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HA ))
3.400 1.500 1.500 peak 35 spectrum 1 weight 0.10000E+01 volume 0.96590E-03 ppm1 1.549 ppm2 3.965 CV 1
ASSI { 43}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 4 and name HA ))
6.000 6.000 0.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.13642E-05 ppm1 0.833 ppm2 3.966 CV 1
ASSI { 47}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 5 and name HA ))
1.900 0.500 0.500 peak 47 spectrum 1 weight 0.10000E+01 volume 0.29875E-01 ppm1 0.833 ppm2 4.033 CV 1
ASSI { 51}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 4 and name HB3 ))
6.000 4.500 0.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.833 ppm2 1.732 CV 1
ASSI { 52}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 4 and name HG ))
6.000 4.500 0.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.833 ppm2 1.782 CV 1
ASSI { 53}
( segid " " and resid 4 and name HD2%)
(( segid " " and resid 40 and name HG3 ))
4.700 2.800 1.300 peak 53 spectrum 1 weight 0.10000E+01 volume 0.49991E-03 ppm1 0.891 ppm2 2.854 CV 1
ASSI { 56}
(( segid " " and resid 4 and name HG ))
( segid " " and resid 4 and name HD2%)
2.800 1.000 1.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.24298E-02 ppm1 1.779 ppm2 0.890 CV 1
ASSI { 61}
(( segid " " and resid 5 and name HG2 ))
(( segid " " and resid 5 and name HB3 ))
6.000 4.500 0.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.566 ppm2 1.978 CV 1
OR { 61}
(( segid " " and resid 5 and name HG3 ))
(( segid " " and resid 5 and name HB2 ))
OR { 61}
(( segid " " and resid 5 and name HG2 ))
(( segid " " and resid 5 and name HB2 ))
OR { 61}
(( segid " " and resid 5 and name HG3 ))
(( segid " " and resid 5 and name HB3 ))
ASSI { 67}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HN ))
2.900 1.000 1.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.28679E-02 ppm1 1.978 ppm2 8.174 CV 1
OR { 67}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 5 and name HN ))
ASSI { 70}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HA ))
2.300 0.700 0.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.11213E-01 ppm1 1.978 ppm2 4.043 CV 1
OR { 70}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 5 and name HA ))
ASSI { 72}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 5 and name HN ))
6.000 6.000 0.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.19637E-04 ppm1 4.021 ppm2 8.176 CV 1
ASSI { 73}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HN ))
2.300 0.700 0.700 peak 73 spectrum 1 weight 0.10000E+01 volume 0.13742E-01 ppm1 4.021 ppm2 7.698 CV 1
ASSI { 75}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB3 ))
2.800 1.000 1.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.34058E-02 ppm1 4.021 ppm2 2.286 CV 1
ASSI { 76}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 9 and name HB2 ))
2.300 2.300 3.700 peak 76 spectrum 1 weight 0.10000E+01 volume 0.13364E-01 ppm1 4.021 ppm2 2.563 CV 1
ASSI { 77}
(( segid " " and resid 7 and name HA ))
( segid " " and resid 7 and name HG1%)
3.500 1.500 1.500 peak 77 spectrum 1 weight 0.10000E+01 volume 0.14458E-02 ppm1 3.350 ppm2 0.639 CV 1
ASSI { 78}
(( segid " " and resid 7 and name HA ))
( segid " " and resid 7 and name HG2%)
3.200 1.300 1.300 peak 78 spectrum 1 weight 0.10000E+01 volume 0.17846E-02 ppm1 3.350 ppm2 0.810 CV 1
ASSI { 81}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HN ))
3.500 1.600 1.600 peak 81 spectrum 1 weight 0.10000E+01 volume 0.77867E-03 ppm1 3.350 ppm2 7.645 CV 1
ASSI { 83}
(( segid " " and resid 7 and name HB ))
( segid " " and resid 7 and name HG2%)
3.000 1.100 1.100 peak 83 spectrum 1 weight 0.10000E+01 volume 0.24895E-02 ppm1 2.121 ppm2 0.810 CV 1
ASSI { 84}
(( segid " " and resid 7 and name HB ))
( segid " " and resid 7 and name HG1%)
2.700 0.900 0.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.47400E-02 ppm1 2.121 ppm2 0.639 CV 1
ASSI { 88}
( segid " " and resid 7 and name HG1%)
( segid " " and resid 7 and name HG2%)
3.000 1.100 1.100 peak 88 spectrum 1 weight 0.10000E+01 volume 0.29675E-02 ppm1 0.639 ppm2 0.816 CV 1
ASSI { 89}
( segid " " and resid 7 and name HG1%)
( segid " " and resid 37 and name HD2%)
3.600 1.700 1.700 peak 89 spectrum 1 weight 0.10000E+01 volume 0.13224E-02 ppm1 0.639 ppm2 0.052 CV 1
ASSI { 90}
( segid " " and resid 7 and name HG1%)
(( segid " " and resid 7 and name HN ))
2.600 0.900 0.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.57561E-02 ppm1 0.639 ppm2 7.636 CV 1
ASSI { 99}
( segid " " and resid 7 and name HG2%)
(( segid " " and resid 9 and name HN ))
6.000 6.000 0.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.28878E-05 ppm1 0.798 ppm2 8.817 CV 1
ASSI { 100}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB2 ))
2.200 0.600 0.600 peak 100 spectrum 1 weight 0.10000E+01 volume 0.20315E-01 ppm1 4.308 ppm2 2.571 CV 1
ASSI { 101}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB3 ))
6.000 6.000 0.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.33857E-06 ppm1 4.308 ppm2 2.668 CV 1
ASSI { 102}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 8 and name HD2 ))
2.300 2.300 3.700 peak 102 spectrum 1 weight 0.10000E+01 volume 0.54572E-02 ppm1 4.308 ppm2 3.075 CV 1
ASSI { 105}
(( segid " " and resid 9 and name HA ))
( segid " " and resid 12 and name HB% )
3.600 1.600 1.600 peak 105 spectrum 1 weight 0.10000E+01 volume 0.92014E-03 ppm1 4.308 ppm2 1.466 CV 1
ASSI { 107}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HB3 ))
4.700 4.700 1.300 peak 107 spectrum 1 weight 0.10000E+01 volume 0.79475E-04 ppm1 2.579 ppm2 2.671 CV 1
ASSI { 111}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HG3 ))
6.000 4.500 0.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.178 ppm2 2.480 CV 1
OR { 111}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HG2 ))
ASSI { 114}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HB2 ))
6.000 4.500 0.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.178 ppm2 1.986 CV 1
ASSI { 115}
(( segid " " and resid 10 and name HG3 ))
(( segid " " and resid 10 and name HB2 ))
6.000 4.500 0.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.472 ppm2 1.975 CV 1
OR { 115}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HB2 ))
ASSI { 119}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HA ))
6.000 4.500 0.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.472 ppm2 4.369 CV 1
OR { 119}
(( segid " " and resid 10 and name HG3 ))
(( segid " " and resid 10 and name HA ))
ASSI { 123}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 11 and name HD2%)
2.100 0.500 0.500 peak 123 spectrum 1 weight 0.10000E+01 volume 0.20714E-01 ppm1 4.102 ppm2 0.880 CV 1
ASSI { 124}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HN ))
2.600 0.800 0.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.56764E-02 ppm1 4.102 ppm2 8.092 CV 1
ASSI { 126}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HB2 ))
2.100 0.500 0.500 peak 126 spectrum 1 weight 0.10000E+01 volume 0.60150E-02 ppm1 1.943 ppm2 1.284 CV 1
ASSI { 129}
(( segid " " and resid 11 and name HB2 ))
( segid " " and resid 11 and name HD2%)
3.200 1.300 1.300 peak 129 spectrum 1 weight 0.10000E+01 volume 0.17408E-02 ppm1 1.288 ppm2 0.873 CV 1
ASSI { 132}
( segid " " and resid 11 and name HD1%)
( segid " " and resid 11 and name HD2%)
3.900 1.900 1.900 peak 132 spectrum 1 weight 0.10000E+01 volume 0.57958E-03 ppm1 0.591 ppm2 0.872 CV 1
ASSI { 133}
( segid " " and resid 11 and name HD1%)
(( segid " " and resid 11 and name HG ))
2.700 0.900 0.900 peak 133 spectrum 1 weight 0.10000E+01 volume 0.33260E-02 ppm1 0.591 ppm2 1.787 CV 1
ASSI { 134}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 78 and name HD2%)
3.400 1.500 1.500 peak 134 spectrum 1 weight 0.10000E+01 volume 0.12886E-02 ppm1 4.022 ppm2 0.953 CV 1
ASSI { 135}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 12 and name HB% )
2.000 0.500 0.500 peak 135 spectrum 1 weight 0.10000E+01 volume 0.32263E-01 ppm1 4.022 ppm2 1.474 CV 1
ASSI { 139}
( segid " " and resid 12 and name HB% )
( segid " " and resid 78 and name HD2%)
6.000 4.500 0.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.460 ppm2 0.943 CV 1
ASSI { 144}
( segid " " and resid 12 and name HB% )
(( segid " " and resid 12 and name HN ))
2.300 0.700 0.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.12548E-01 ppm1 1.460 ppm2 8.553 CV 1
ASSI { 145}
(( segid " " and resid 13 and name HG ))
(( segid " " and resid 13 and name HA ))
2.300 0.700 0.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.11632E-01 ppm1 1.646 ppm2 4.173 CV 1
ASSI { 147}
(( segid " " and resid 13 and name HG ))
( segid " " and resid 13 and name HD2%)
2.000 0.500 0.500 peak 147 spectrum 1 weight 0.10000E+01 volume 0.30074E-01 ppm1 1.646 ppm2 0.903 CV 1
OR { 147}
(( segid " " and resid 13 and name HG ))
( segid " " and resid 13 and name HD1%)
ASSI { 156}
( segid " " and resid 13 and name HD2%)
(( segid " " and resid 13 and name HA ))
2.400 0.700 0.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.31070E-01 ppm1 0.890 ppm2 4.177 CV 1
ASSI { 157}
( segid " " and resid 13 and name HD1%)
(( segid " " and resid 12 and name HA ))
6.000 6.000 0.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.87834E-06 ppm1 0.890 ppm2 4.020 CV 1
ASSI { 159}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HG ))
6.000 5.000 0.000 peak 159 spectrum 1 weight 0.10000E+01 volume 0.39834E-04 ppm1 1.749 ppm2 1.669 CV 1
ASSI { 162}
(( segid " " and resid 13 and name HB2 ))
( segid " " and resid 13 and name HD1%)
2.600 0.900 0.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.65929E-02 ppm1 1.749 ppm2 0.904 CV 1
OR { 162}
(( segid " " and resid 13 and name HB2 ))
( segid " " and resid 13 and name HD2%)
ASSI { 163}
(( segid " " and resid 13 and name HB3 ))
( segid " " and resid 13 and name HD2%)
2.700 0.900 0.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.64930E-02 ppm1 1.829 ppm2 0.904 CV 1
OR { 163}
(( segid " " and resid 13 and name HB3 ))
( segid " " and resid 13 and name HD1%)
ASSI { 164}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HG ))
5.500 3.800 0.500 peak 164 spectrum 1 weight 0.10000E+01 volume 0.54572E-04 ppm1 1.829 ppm2 1.672 CV 1
ASSI { 165}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HB2 ))
3.000 3.000 3.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.88237E-03 ppm1 1.829 ppm2 1.749 CV 1
ASSI { 167}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HA ))
2.700 0.900 0.900 peak 167 spectrum 1 weight 0.10000E+01 volume 0.48596E-02 ppm1 1.829 ppm2 4.176 CV 1
ASSI { 168}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HN ))
3.200 1.300 1.300 peak 168 spectrum 1 weight 0.10000E+01 volume 0.57958E-02 ppm1 1.829 ppm2 7.576 CV 1
ASSI { 170}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 32 and name HD2%)
2.200 0.600 0.600 peak 170 spectrum 1 weight 0.10000E+01 volume 0.12787E-01 ppm1 4.170 ppm2 0.893 CV 1
ASSI { 179}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HG3 ))
2.200 0.600 0.600 peak 179 spectrum 1 weight 0.10000E+01 volume 0.18503E-01 ppm1 4.331 ppm2 2.466 CV 1
OR { 179}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HG2 ))
ASSI { 191}
(( segid " " and resid 54 and name HB3 ))
(( segid " " and resid 54 and name HG3 ))
6.000 4.500 0.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.028 ppm2 2.241 CV 1
OR { 191}
(( segid " " and resid 54 and name HB3 ))
(( segid " " and resid 54 and name HG2 ))
ASSI { 200}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HG3 ))
6.000 4.500 0.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.238 ppm2 2.455 CV 1
OR { 200}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HG2 ))
ASSI { 201}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HA ))
2.300 0.700 0.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.99791E-02 ppm1 2.238 ppm2 4.324 CV 1
ASSI { 203}
(( segid " " and resid 15 and name HA2 ))
(( segid " " and resid 15 and name HA1 ))
2.500 0.800 0.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.31469E-02 ppm1 4.327 ppm2 3.608 CV 1
ASSI { 206}
(( segid " " and resid 15 and name HA1 ))
(( segid " " and resid 15 and name HN ))
3.000 1.100 1.100 peak 206 spectrum 1 weight 0.10000E+01 volume 0.22108E-02 ppm1 3.591 ppm2 8.169 CV 1
ASSI { 208}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HG3 ))
6.000 4.500 0.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.292 ppm2 1.521 CV 1
ASSI { 212}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 16 and name HD2 ))
2.400 0.700 0.700 peak 212 spectrum 1 weight 0.10000E+01 volume 0.26090E-02 ppm1 2.554 ppm2 2.325 CV 1
ASSI { 215}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HB3 ))
6.000 4.500 0.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.587 ppm2 1.747 CV 1
ASSI { 218}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HG3 ))
6.000 4.500 0.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.737 ppm2 1.497 CV 1
ASSI { 222}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HD2 ))
2.900 1.100 1.100 peak 222 spectrum 1 weight 0.10000E+01 volume 0.84249E-02 ppm1 1.737 ppm2 2.325 CV 1
ASSI { 226}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 74 and name HN ))
5.600 3.900 0.400 peak 226 spectrum 1 weight 0.10000E+01 volume 0.15137E-03 ppm1 1.737 ppm2 8.405 CV 1
ASSI { 231}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB3 ))
2.800 1.000 1.000 peak 231 spectrum 1 weight 0.10000E+01 volume 0.24298E-02 ppm1 5.214 ppm2 1.744 CV 1
ASSI { 232}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HD3 ))
5.300 3.500 0.700 peak 232 spectrum 1 weight 0.10000E+01 volume 0.12964E-03 ppm1 5.214 ppm2 2.559 CV 1
ASSI { 235}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HN ))
2.900 1.000 1.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.22904E-02 ppm1 5.214 ppm2 9.100 CV 1
ASSI { 236}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB3 ))
2.800 1.000 1.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.32263E-02 ppm1 5.122 ppm2 2.262 CV 1
ASSI { 238}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HG2 ))
2.100 0.600 0.600 peak 238 spectrum 1 weight 0.10000E+01 volume 0.16412E-01 ppm1 5.122 ppm2 2.573 CV 1
ASSI { 243}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HB2 ))
2.600 0.800 0.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.18482E-02 ppm1 2.255 ppm2 1.688 CV 1
ASSI { 246}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 11 and name HD2%)
4.000 2.000 2.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.31867E-03 ppm1 1.680 ppm2 0.858 CV 1
ASSI { 247}
(( segid " " and resid 17 and name HG3 ))
( segid " " and resid 11 and name HD2%)
3.800 1.900 1.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.14897E-02 ppm1 2.655 ppm2 0.859 CV 1
ASSI { 248}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HB3 ))
6.000 4.500 0.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.655 ppm2 2.251 CV 1
ASSI { 249}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HG2 ))
6.000 4.500 0.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.656 ppm2 2.565 CV 1
ASSI { 251}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HB2 ))
3.000 1.100 1.100 peak 251 spectrum 1 weight 0.10000E+01 volume 0.45011E-02 ppm1 2.566 ppm2 1.687 CV 1
ASSI { 256}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 18 and name HB2 ))
3.400 1.400 1.400 peak 256 spectrum 1 weight 0.10000E+01 volume 0.11152E-02 ppm1 1.581 ppm2 1.620 CV 1
OR { 256}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HB2 ))
ASSI { 257}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HB3 ))
2.800 1.000 1.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.40033E-02 ppm1 1.581 ppm2 2.217 CV 1
OR { 257}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 18 and name HB3 ))
ASSI { 258}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HA ))
3.100 1.200 1.200 peak 258 spectrum 1 weight 0.10000E+01 volume 0.40033E-02 ppm1 1.581 ppm2 4.715 CV 1
OR { 258}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 18 and name HA ))
ASSI { 260}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 75 and name HB2 ))
6.000 4.500 0.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.711 ppm2 2.888 CV 1
OR { 260}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 75 and name HB3 ))
ASSI { 261}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB3 ))
3.600 1.600 1.600 peak 261 spectrum 1 weight 0.10000E+01 volume 0.52182E-03 ppm1 4.711 ppm2 2.217 CV 1
ASSI { 263}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB2 ))
6.000 4.500 0.000 peak 263 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.710 ppm2 1.619 CV 1
ASSI { 264}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 19 and name HB% )
6.000 4.500 0.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.711 ppm2 1.402 CV 1
ASSI { 266}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 37 and name HD1%)
2.700 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.10655E-01 ppm1 4.711 ppm2 -0.497 CV 1
ASSI { 275}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HB2 ))
3.900 3.900 2.100 peak 275 spectrum 1 weight 0.10000E+01 volume 0.16829E-03 ppm1 2.224 ppm2 1.620 CV 1
ASSI { 276}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 17 and name HB3 ))
6.000 4.500 0.000 peak 276 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.224 ppm2 2.258 CV 1
ASSI { 278}
( segid " " and resid 19 and name HB% )
( segid " " and resid 33 and name HG2%)
1.700 0.400 0.500 peak 278 spectrum 1 weight 0.10000E+01 volume 0.42820E-01 ppm1 1.407 ppm2 0.717 CV 1
ASSI { 289}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 19 and name HB% )
3.100 1.200 1.200 peak 289 spectrum 1 weight 0.10000E+01 volume 0.15855E-02 ppm1 3.817 ppm2 1.421 CV 1
ASSI { 291}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 22 and name HB3 ))
5.600 3.900 0.400 peak 291 spectrum 1 weight 0.10000E+01 volume 0.35052E-03 ppm1 3.817 ppm2 1.960 CV 1
ASSI { 293}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HN ))
3.900 1.900 1.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.47400E-03 ppm1 3.817 ppm2 10.075 CV 1
ASSI { 294}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 37 and name HD1%)
5.400 3.700 0.600 peak 294 spectrum 1 weight 0.10000E+01 volume 0.26489E-03 ppm1 3.817 ppm2 -0.495 CV 1
ASSI { 295}
(( segid " " and resid 20 and name HE3 ))
(( segid " " and resid 20 and name HD3 ))
2.800 1.000 1.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.33061E-02 ppm1 2.934 ppm2 1.651 CV 1
OR { 295}
(( segid " " and resid 20 and name HE2 ))
(( segid " " and resid 20 and name HD2 ))
OR { 295}
(( segid " " and resid 20 and name HE2 ))
(( segid " " and resid 20 and name HD3 ))
OR { 295}
(( segid " " and resid 20 and name HE3 ))
(( segid " " and resid 20 and name HD2 ))
ASSI { 296}
(( segid " " and resid 20 and name HE3 ))
(( segid " " and resid 20 and name HG3 ))
2.900 1.100 1.100 peak 296 spectrum 1 weight 0.10000E+01 volume 0.37842E-02 ppm1 2.934 ppm2 1.366 CV 1
OR { 296}
(( segid " " and resid 20 and name HE2 ))
(( segid " " and resid 20 and name HG3 ))
OR { 296}
(( segid " " and resid 20 and name HE2 ))
(( segid " " and resid 20 and name HG2 ))
ASSI { 298}
(( segid " " and resid 20 and name HE3 ))
(( segid " " and resid 20 and name HA ))
4.700 2.800 1.300 peak 298 spectrum 1 weight 0.10000E+01 volume 0.82457E-03 ppm1 2.934 ppm2 4.382 CV 1
OR { 298}
(( segid " " and resid 20 and name HE2 ))
(( segid " " and resid 20 and name HA ))
ASSI { 301}
(( segid " " and resid 62 and name HD3 ))
(( segid " " and resid 62 and name HE2 ))
2.800 1.000 1.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.34454E-02 ppm1 1.629 ppm2 2.944 CV 1
OR { 301}
(( segid " " and resid 62 and name HD2 ))
(( segid " " and resid 62 and name HE3 ))
OR { 301}
(( segid " " and resid 62 and name HD3 ))
(( segid " " and resid 62 and name HE3 ))
OR { 301}
(( segid " " and resid 62 and name HD2 ))
(( segid " " and resid 62 and name HE2 ))
ASSI { 306}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 21 and name HA ))
2.500 0.800 0.800 peak 306 spectrum 1 weight 0.10000E+01 volume 0.88628E-02 ppm1 1.381 ppm2 4.320 CV 1
OR { 306}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 21 and name HA ))
ASSI { 307}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HG3 ))
6.000 4.500 0.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.865 ppm2 1.366 CV 1
OR { 307}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HG2 ))
ASSI { 308}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HB2 ))
6.000 4.500 0.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.865 ppm2 1.748 CV 1
ASSI { 311}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG3 ))
3.000 1.200 1.200 peak 311 spectrum 1 weight 0.10000E+01 volume 0.34058E-02 ppm1 4.362 ppm2 1.366 CV 1
OR { 311}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG2 ))
ASSI { 312}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HD3 ))
6.000 6.000 0.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.10716E-05 ppm1 4.362 ppm2 1.654 CV 1
OR { 312}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HD2 ))
ASSI { 313}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB2 ))
3.100 1.200 1.200 peak 313 spectrum 1 weight 0.10000E+01 volume 0.14279E-02 ppm1 4.362 ppm2 1.748 CV 1
ASSI { 314}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB3 ))
2.300 0.700 0.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.12846E-01 ppm1 4.362 ppm2 1.869 CV 1
ASSI { 316}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 18 and name HB3 ))
3.100 3.100 2.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.91809E-02 ppm1 4.362 ppm2 2.207 CV 1
ASSI { 322}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 22 and name HN ))
2.200 2.200 3.800 peak 322 spectrum 1 weight 0.10000E+01 volume 0.24496E-01 ppm1 4.362 ppm2 7.685 CV 1
ASSI { 329}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HG3 ))
6.000 4.500 0.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.149 ppm2 2.457 CV 1
OR { 329}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HG2 ))
ASSI { 331}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG2 ))
2.700 0.900 0.900 peak 331 spectrum 1 weight 0.10000E+01 volume 0.63332E-02 ppm1 4.308 ppm2 2.456 CV 1
OR { 331}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG3 ))
ASSI { 333}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HB2 ))
2.800 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.12867E-02 ppm1 2.401 ppm2 2.152 CV 1
ASSI { 336}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HG3 ))
3.200 1.300 1.300 peak 336 spectrum 1 weight 0.10000E+01 volume 0.18024E-02 ppm1 2.401 ppm2 2.457 CV 1
OR { 336}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HG2 ))
ASSI { 338}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HA ))
4.200 2.200 1.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.27883E-03 ppm1 2.401 ppm2 4.316 CV 1
ASSI { 339}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HA ))
3.900 1.900 1.900 peak 339 spectrum 1 weight 0.10000E+01 volume 0.81657E-03 ppm1 2.149 ppm2 4.316 CV 1
ASSI { 348}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 22 and name HD2%)
4.000 2.000 2.000 peak 348 spectrum 1 weight 0.10000E+01 volume 0.37642E-03 ppm1 3.841 ppm2 0.860 CV 1
ASSI { 352}
(( segid " " and resid 22 and name HB3 ))
( segid " " and resid 22 and name HD1%)
3.500 1.500 1.500 peak 352 spectrum 1 weight 0.10000E+01 volume 0.10337E-02 ppm1 1.958 ppm2 0.729 CV 1
ASSI { 353}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HB3 ))
1.800 0.400 0.400 peak 353 spectrum 1 weight 0.10000E+01 volume 0.14240E-01 ppm1 1.233 ppm2 1.962 CV 1
ASSI { 355}
(( segid " " and resid 22 and name HB2 ))
( segid " " and resid 22 and name HD2%)
6.000 6.000 0.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.28083E-04 ppm1 1.233 ppm2 0.860 CV 1
ASSI { 356}
(( segid " " and resid 22 and name HB2 ))
( segid " " and resid 22 and name HD1%)
2.600 0.900 0.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.51782E-02 ppm1 1.233 ppm2 0.729 CV 1
ASSI { 358}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HA ))
2.900 1.100 1.100 peak 358 spectrum 1 weight 0.10000E+01 volume 0.19439E-02 ppm1 1.958 ppm2 3.852 CV 1
ASSI { 359}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HA ))
4.600 2.700 1.400 peak 359 spectrum 1 weight 0.10000E+01 volume 0.31867E-03 ppm1 1.233 ppm2 3.852 CV 1
ASSI { 361}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HN ))
4.200 2.200 1.800 peak 361 spectrum 1 weight 0.10000E+01 volume 0.10634E-02 ppm1 1.958 ppm2 7.694 CV 1
ASSI { 363}
( segid " " and resid 22 and name HD1%)
( segid " " and resid 37 and name HD2%)
3.300 3.300 2.700 peak 363 spectrum 1 weight 0.10000E+01 volume 0.70712E-03 ppm1 0.722 ppm2 0.039 CV 1
ASSI { 364}
( segid " " and resid 22 and name HD1%)
( segid " " and resid 37 and name HD1%)
3.100 3.100 2.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.98402E-03 ppm1 0.722 ppm2 -0.508 CV 1
ASSI { 365}
( segid " " and resid 22 and name HD1%)
( segid " " and resid 22 and name HD2%)
6.000 4.500 0.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.42422E-04 ppm1 0.722 ppm2 0.859 CV 1
ASSI { 366}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 22 and name HG ))
3.100 1.200 1.200 peak 366 spectrum 1 weight 0.10000E+01 volume 0.15197E-02 ppm1 0.722 ppm2 1.533 CV 1
ASSI { 369}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 7 and name HA ))
2.400 0.700 0.700 peak 369 spectrum 1 weight 0.10000E+01 volume 0.10037E-01 ppm1 0.722 ppm2 3.369 CV 1
ASSI { 370}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 22 and name HA ))
4.700 2.700 1.300 peak 370 spectrum 1 weight 0.10000E+01 volume 0.10596E-02 ppm1 0.722 ppm2 3.848 CV 1
ASSI { 372}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 22 and name HN ))
3.100 1.200 1.200 peak 372 spectrum 1 weight 0.10000E+01 volume 0.11890E-01 ppm1 0.722 ppm2 7.691 CV 1
ASSI { 375}
( segid " " and resid 22 and name HD2%)
(( segid " " and resid 22 and name HB3 ))
6.000 4.500 0.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.845 ppm2 1.963 CV 1
ASSI { 377}
(( segid " " and resid 22 and name HG ))
( segid " " and resid 22 and name HD2%)
1.800 0.400 0.400 peak 377 spectrum 1 weight 0.10000E+01 volume 0.39635E-01 ppm1 1.529 ppm2 0.858 CV 1
ASSI { 383}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HA ))
6.000 4.500 0.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.764 ppm2 4.036 CV 1
ASSI { 386}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HN ))
2.200 0.600 0.600 peak 386 spectrum 1 weight 0.10000E+01 volume 0.12050E-01 ppm1 3.764 ppm2 7.896 CV 1
ASSI { 391}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB3 ))
6.000 4.500 0.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.036 ppm2 3.909 CV 1
ASSI { 393}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
2.600 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.55368E-02 ppm1 4.036 ppm2 7.892 CV 1
ASSI { 395}
(( segid " " and resid 23 and name HA ))
( segid " " and resid 33 and name HD1%)
4.500 2.600 1.500 peak 395 spectrum 1 weight 0.10000E+01 volume 0.31469E-03 ppm1 4.036 ppm2 0.441 CV 1
ASSI { 396}
( segid " " and resid 24 and name HB% )
(( segid " " and resid 21 and name HA ))
3.700 1.700 1.700 peak 396 spectrum 1 weight 0.10000E+01 volume 0.80850E-03 ppm1 1.515 ppm2 4.332 CV 1
ASSI { 397}
( segid " " and resid 24 and name HB% )
(( segid " " and resid 24 and name HA ))
1.900 0.500 0.500 peak 397 spectrum 1 weight 0.10000E+01 volume 0.39236E-01 ppm1 1.516 ppm2 4.141 CV 1
ASSI { 398}
( segid " " and resid 24 and name HB% )
(( segid " " and resid 25 and name HB2 ))
3.400 1.400 1.400 peak 398 spectrum 1 weight 0.10000E+01 volume 0.44017E-02 ppm1 1.515 ppm2 1.823 CV 1
OR { 398}
( segid " " and resid 24 and name HB% )
(( segid " " and resid 25 and name HB3 ))
ASSI { 400}
( segid " " and resid 24 and name HB% )
(( segid " " and resid 20 and name HG3 ))
6.000 4.500 0.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.515 ppm2 1.354 CV 1
ASSI { 407}
( segid " " and resid 24 and name HB% )
(( segid " " and resid 24 and name HN ))
2.100 0.600 0.600 peak 407 spectrum 1 weight 0.10000E+01 volume 0.20117E-01 ppm1 1.515 ppm2 7.518 CV 1
ASSI { 410}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HD3 ))
5.600 3.900 0.400 peak 410 spectrum 1 weight 0.10000E+01 volume 0.56959E-04 ppm1 1.794 ppm2 3.202 CV 1
OR { 410}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HD3 ))
OR { 410}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HD2 ))
OR { 410}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HD2 ))
ASSI { 412}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HA ))
5.600 4.000 0.400 peak 412 spectrum 1 weight 0.10000E+01 volume 0.80850E-04 ppm1 1.794 ppm2 4.103 CV 1
OR { 412}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HA ))
ASSI { 416}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HG2 ))
6.000 4.500 0.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.842 ppm2 1.812 CV 1
OR { 416}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HG2 ))
OR { 416}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HG3 ))
OR { 416}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HG3 ))
ASSI { 419}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HD2 ))
2.700 0.900 0.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.63139E-02 ppm1 1.842 ppm2 3.203 CV 1
OR { 419}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HD3 ))
OR { 419}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HD2 ))
OR { 419}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HD3 ))
ASSI { 420}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HA ))
2.100 0.500 0.500 peak 420 spectrum 1 weight 0.10000E+01 volume 0.25693E-01 ppm1 1.842 ppm2 4.127 CV 1
OR { 420}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HA ))
ASSI { 426}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 27 and name HG2 ))
6.000 5.600 0.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.27285E-04 ppm1 4.104 ppm2 2.259 CV 1
OR { 426}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 27 and name HG3 ))
ASSI { 430}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HN ))
2.600 0.800 0.800 peak 430 spectrum 1 weight 0.10000E+01 volume 0.68906E-02 ppm1 4.104 ppm2 8.493 CV 1
ASSI { 433}
(( segid " " and resid 26 and name HG ))
( segid " " and resid 22 and name HD2%)
1.800 1.800 4.200 peak 433 spectrum 1 weight 0.10000E+01 volume 0.26687E-01 ppm1 1.597 ppm2 0.857 CV 1
ASSI { 437}
( segid " " and resid 26 and name HD1%)
( segid " " and resid 26 and name HD2%)
2.600 0.800 0.800 peak 437 spectrum 1 weight 0.10000E+01 volume 0.85036E-02 ppm1 0.634 ppm2 0.789 CV 1
ASSI { 438}
( segid " " and resid 26 and name HD1%)
(( segid " " and resid 26 and name HG ))
3.100 1.200 1.200 peak 438 spectrum 1 weight 0.10000E+01 volume 0.20912E-02 ppm1 0.634 ppm2 1.595 CV 1
OR { 438}
( segid " " and resid 26 and name HD1%)
(( segid " " and resid 26 and name HB3 ))
ASSI { 442}
( segid " " and resid 26 and name HD2%)
(( segid " " and resid 26 and name HA ))
1.900 0.500 0.500 peak 442 spectrum 1 weight 0.10000E+01 volume 0.36845E-01 ppm1 0.776 ppm2 4.461 CV 1
ASSI { 455}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HG3 ))
6.000 4.500 0.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.137 ppm2 2.260 CV 1
OR { 455}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HG2 ))
ASSI { 459}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HB2 ))
6.000 4.500 0.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.137 ppm2 2.055 CV 1
ASSI { 462}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HG2 ))
6.000 4.500 0.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.064 ppm2 2.256 CV 1
OR { 462}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HG3 ))
ASSI { 467}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 27 and name HA ))
2.600 0.900 0.900 peak 467 spectrum 1 weight 0.10000E+01 volume 0.61740E-02 ppm1 2.273 ppm2 3.925 CV 1
OR { 467}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 27 and name HA ))
ASSI { 471}
(( segid " " and resid 28 and name HB ))
( segid " " and resid 28 and name HG2%)
3.000 1.200 1.200 peak 471 spectrum 1 weight 0.10000E+01 volume 0.18841E-02 ppm1 3.376 ppm2 1.215 CV 1
ASSI { 474}
(( segid " " and resid 28 and name HB ))
(( segid " " and resid 28 and name HA ))
6.000 4.500 0.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.376 ppm2 4.895 CV 1
ASSI { 475}
(( segid " " and resid 28 and name HB ))
(( segid " " and resid 28 and name HN ))
2.400 0.700 0.700 peak 475 spectrum 1 weight 0.10000E+01 volume 0.97192E-02 ppm1 3.376 ppm2 8.028 CV 1
ASSI { 487}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB2 ))
6.000 6.000 0.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.77867E-06 ppm1 3.751 ppm2 2.069 CV 1
ASSI { 488}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB3 ))
2.900 1.000 1.000 peak 488 spectrum 1 weight 0.10000E+01 volume 0.24099E-02 ppm1 3.751 ppm2 2.146 CV 1
OR { 488}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HG2 ))
ASSI { 491}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HN ))
4.000 2.000 2.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.30472E-03 ppm1 3.751 ppm2 9.151 CV 1
ASSI { 492}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 30 and name HB2 ))
6.000 4.500 0.000 peak 492 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.450 ppm2 2.071 CV 1
ASSI { 496}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HG2 ))
6.000 4.500 0.000 peak 496 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.450 ppm2 1.967 CV 1
ASSI { 498}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HG3 ))
6.000 4.500 0.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.129 ppm2 2.454 CV 1
ASSI { 499}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HB2 ))
6.000 4.500 0.000 peak 499 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.129 ppm2 2.071 CV 1
ASSI { 503}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HG3 ))
4.500 2.500 1.500 peak 503 spectrum 1 weight 0.10000E+01 volume 0.29277E-03 ppm1 2.166 ppm2 2.443 CV 1
ASSI { 506}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 34 and name HB2 ))
3.600 1.600 1.600 peak 506 spectrum 1 weight 0.10000E+01 volume 0.13484E-02 ppm1 4.379 ppm2 2.565 CV 1
OR { 506}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 34 and name HB3 ))
ASSI { 507}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB3 ))
2.000 0.500 0.500 peak 507 spectrum 1 weight 0.10000E+01 volume 0.16809E-01 ppm1 4.379 ppm2 2.350 CV 1
ASSI { 509}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB2 ))
2.700 0.900 0.900 peak 509 spectrum 1 weight 0.10000E+01 volume 0.80050E-02 ppm1 4.379 ppm2 1.710 CV 1
ASSI { 513}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HB3 ))
2.000 0.500 0.500 peak 513 spectrum 1 weight 0.10000E+01 volume 0.80050E-02 ppm1 1.685 ppm2 2.353 CV 1
ASSI { 516}
(( segid " " and resid 31 and name HD3 ))
(( segid " " and resid 31 and name HD2 ))
2.300 0.700 0.700 peak 516 spectrum 1 weight 0.10000E+01 volume 0.26090E-02 ppm1 3.752 ppm2 3.398 CV 1
ASSI { 522}
( segid " " and resid 32 and name HD2%)
(( segid " " and resid 31 and name HB2 ))
6.000 4.500 0.000 peak 522 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.895 ppm2 1.711 CV 1
ASSI { 524}
(( segid " " and resid 32 and name HG ))
( segid " " and resid 32 and name HD1%)
6.000 6.000 0.000 peak 524 spectrum 1 weight 0.10000E+01 volume 0.94401E-06 ppm1 1.640 ppm2 0.813 CV 1
ASSI { 525}
(( segid " " and resid 32 and name HG ))
( segid " " and resid 32 and name HD2%)
2.000 0.500 0.500 peak 525 spectrum 1 weight 0.10000E+01 volume 0.26090E-01 ppm1 1.640 ppm2 0.890 CV 1
ASSI { 527}
(( segid " " and resid 32 and name HG ))
(( segid " " and resid 32 and name HN ))
6.000 5.200 0.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.16908E-03 ppm1 1.640 ppm2 7.045 CV 1
ASSI { 528}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 32 and name HB3 ))
6.000 4.500 0.000 peak 528 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.811 ppm2 1.770 CV 1
ASSI { 529}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 32 and name HB2 ))
6.000 4.500 0.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.811 ppm2 1.451 CV 1
ASSI { 531}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 32 and name HN ))
4.700 2.700 1.300 peak 531 spectrum 1 weight 0.10000E+01 volume 0.85447E-03 ppm1 0.811 ppm2 7.046 CV 1
ASSI { 533}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HG ))
4.200 2.200 1.800 peak 533 spectrum 1 weight 0.10000E+01 volume 0.22904E-03 ppm1 1.447 ppm2 1.640 CV 1
ASSI { 535}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 33 and name HG12))
3.000 1.100 1.100 peak 535 spectrum 1 weight 0.10000E+01 volume 0.14381E-01 ppm1 1.447 ppm2 0.852 CV 1
ASSI { 537}
(( segid " " and resid 32 and name HB3 ))
( segid " " and resid 32 and name HD2%)
2.700 0.900 0.900 peak 537 spectrum 1 weight 0.10000E+01 volume 0.15335E-01 ppm1 1.765 ppm2 0.892 CV 1
ASSI { 538}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HB2 ))
2.800 1.000 1.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.92014E-03 ppm1 1.765 ppm2 1.442 CV 1
ASSI { 539}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HG ))
4.000 2.000 2.000 peak 539 spectrum 1 weight 0.10000E+01 volume 0.38638E-03 ppm1 1.765 ppm2 1.640 CV 1
ASSI { 540}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 29 and name HA ))
3.900 1.900 1.900 peak 540 spectrum 1 weight 0.10000E+01 volume 0.24697E-03 ppm1 1.765 ppm2 4.186 CV 1
ASSI { 541}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HN ))
3.700 1.800 1.800 peak 541 spectrum 1 weight 0.10000E+01 volume 0.54371E-03 ppm1 1.765 ppm2 7.047 CV 1
ASSI { 543}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 32 and name HD1%)
5.400 3.600 0.600 peak 543 spectrum 1 weight 0.10000E+01 volume 0.14240E-03 ppm1 4.151 ppm2 0.814 CV 1
ASSI { 545}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB3 ))
2.100 0.600 0.600 peak 545 spectrum 1 weight 0.10000E+01 volume 0.28878E-01 ppm1 4.151 ppm2 1.763 CV 1
ASSI { 546}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 31 and name HB3 ))
6.000 6.000 0.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.12687E-05 ppm1 4.151 ppm2 2.360 CV 1
ASSI { 550}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HN ))
2.400 0.700 0.700 peak 550 spectrum 1 weight 0.10000E+01 volume 0.83052E-02 ppm1 4.151 ppm2 7.049 CV 1
ASSI { 551}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 35 and name HN ))
3.900 1.900 1.900 peak 551 spectrum 1 weight 0.10000E+01 volume 0.46207E-03 ppm1 4.151 ppm2 7.321 CV 1
ASSI { 558}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 32 and name HB3 ))
2.200 2.200 3.800 peak 558 spectrum 1 weight 0.10000E+01 volume 0.15276E-01 ppm1 3.587 ppm2 1.781 CV 1
ASSI { 559}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 32 and name HD1%)
6.000 6.000 0.000 peak 559 spectrum 1 weight 0.10000E+01 volume 0.21511E-07 ppm1 3.587 ppm2 0.822 CV 1
ASSI { 560}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 37 and name HB3 ))
3.300 3.300 2.700 peak 560 spectrum 1 weight 0.10000E+01 volume 0.70910E-02 ppm1 3.587 ppm2 0.960 CV 1
ASSI { 561}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 33 and name HD1%)
2.100 0.500 0.500 peak 561 spectrum 1 weight 0.10000E+01 volume 0.14381E-01 ppm1 3.588 ppm2 0.430 CV 1
ASSI { 563}
(( segid " " and resid 33 and name HB ))
( segid " " and resid 32 and name HD1%)
4.900 3.000 1.100 peak 563 spectrum 1 weight 0.10000E+01 volume 0.41426E-03 ppm1 2.161 ppm2 0.819 CV 1
ASSI { 564}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 73 and name HG2 ))
6.000 5.300 0.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.79666E-04 ppm1 2.161 ppm2 1.976 CV 1
OR { 564}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 73 and name HG3 ))
ASSI { 569}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 34 and name HA ))
3.100 1.200 1.200 peak 569 spectrum 1 weight 0.10000E+01 volume 0.19559E-02 ppm1 0.714 ppm2 4.004 CV 1
ASSI { 570}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 19 and name HA ))
5.600 3.900 0.400 peak 570 spectrum 1 weight 0.10000E+01 volume 0.29079E-03 ppm1 0.714 ppm2 3.816 CV 1
ASSI { 571}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 33 and name HA ))
4.400 2.400 1.600 peak 571 spectrum 1 weight 0.10000E+01 volume 0.20513E-03 ppm1 0.714 ppm2 3.598 CV 1
ASSI { 572}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 33 and name HB ))
3.100 1.200 1.200 peak 572 spectrum 1 weight 0.10000E+01 volume 0.13384E-02 ppm1 0.714 ppm2 2.166 CV 1
ASSI { 573}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 73 and name HG2 ))
3.700 1.700 1.700 peak 573 spectrum 1 weight 0.10000E+01 volume 0.21311E-02 ppm1 0.714 ppm2 1.975 CV 1
OR { 573}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 73 and name HG3 ))
ASSI { 581}
( segid " " and resid 33 and name HD1%)
( segid " " and resid 33 and name HG2%)
2.400 0.700 0.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.72094E-02 ppm1 0.432 ppm2 0.710 CV 1
ASSI { 582}
( segid " " and resid 33 and name HD1%)
(( segid " " and resid 33 and name HG12))
6.000 6.000 0.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.75493E-06 ppm1 0.432 ppm2 0.851 CV 1
ASSI { 583}
( segid " " and resid 33 and name HD1%)
( segid " " and resid 28 and name HG2%)
3.200 1.300 1.300 peak 583 spectrum 1 weight 0.10000E+01 volume 0.13722E-02 ppm1 0.432 ppm2 1.230 CV 1
ASSI { 584}
( segid " " and resid 33 and name HD1%)
(( segid " " and resid 33 and name HG13))
3.000 1.200 1.200 peak 584 spectrum 1 weight 0.10000E+01 volume 0.14480E-02 ppm1 0.432 ppm2 1.401 CV 1
ASSI { 587}
( segid " " and resid 33 and name HD1%)
(( segid " " and resid 28 and name HB ))
3.100 1.200 1.200 peak 587 spectrum 1 weight 0.10000E+01 volume 0.16491E-02 ppm1 0.432 ppm2 3.387 CV 1
ASSI { 589}
( segid " " and resid 33 and name HD1%)
(( segid " " and resid 4 and name HA ))
5.000 3.100 1.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.16710E-03 ppm1 0.432 ppm2 3.957 CV 1
ASSI { 591}
(( segid " " and resid 33 and name HG12))
( segid " " and resid 33 and name HG2%)
6.000 4.500 0.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.857 ppm2 0.710 CV 1
ASSI { 593}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB3 ))
2.700 0.900 0.900 peak 593 spectrum 1 weight 0.10000E+01 volume 0.32263E-02 ppm1 4.004 ppm2 2.580 CV 1
OR { 593}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB2 ))
ASSI { 600}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 38 and name HB3 ))
2.700 0.900 0.900 peak 600 spectrum 1 weight 0.10000E+01 volume 0.33857E-02 ppm1 4.118 ppm2 2.076 CV 1
OR { 600}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 38 and name HB2 ))
ASSI { 601}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 32 and name HD1%)
3.800 1.800 1.800 peak 601 spectrum 1 weight 0.10000E+01 volume 0.22306E-02 ppm1 4.118 ppm2 0.798 CV 1
ASSI { 606}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 34 and name HN ))
3.600 3.600 2.400 peak 606 spectrum 1 weight 0.10000E+01 volume 0.27486E-02 ppm1 4.118 ppm2 9.028 CV 1
ASSI { 609}
( segid " " and resid 35 and name HB% )
( segid " " and resid 32 and name HD2%)
2.100 0.500 0.500 peak 609 spectrum 1 weight 0.10000E+01 volume 0.23900E-01 ppm1 1.428 ppm2 0.895 CV 1
ASSI { 611}
( segid " " and resid 35 and name HB% )
(( segid " " and resid 34 and name HB2 ))
3.200 1.300 1.300 peak 611 spectrum 1 weight 0.10000E+01 volume 0.40033E-02 ppm1 1.428 ppm2 2.595 CV 1
OR { 611}
( segid " " and resid 35 and name HB% )
(( segid " " and resid 34 and name HB3 ))
ASSI { 612}
( segid " " and resid 35 and name HB% )
(( segid " " and resid 35 and name HA ))
1.900 0.400 0.400 peak 612 spectrum 1 weight 0.10000E+01 volume 0.39434E-01 ppm1 1.428 ppm2 4.122 CV 1
ASSI { 614}
( segid " " and resid 35 and name HB% )
(( segid " " and resid 36 and name HN ))
2.200 0.600 0.600 peak 614 spectrum 1 weight 0.10000E+01 volume 0.20912E-01 ppm1 1.428 ppm2 7.738 CV 1
ASSI { 619}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB3 ))
3.900 1.900 1.900 peak 619 spectrum 1 weight 0.10000E+01 volume 0.59548E-03 ppm1 3.926 ppm2 2.173 CV 1
ASSI { 620}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HG2 ))
4.400 2.400 1.600 peak 620 spectrum 1 weight 0.10000E+01 volume 0.37842E-03 ppm1 3.926 ppm2 2.323 CV 1
ASSI { 621}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 4 and name HD1%)
3.300 3.300 2.700 peak 621 spectrum 1 weight 0.10000E+01 volume 0.48996E-02 ppm1 3.926 ppm2 0.848 CV 1
ASSI { 622}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 36 and name HB2 ))
2.500 0.800 0.800 peak 622 spectrum 1 weight 0.10000E+01 volume 0.22506E-02 ppm1 2.174 ppm2 1.766 CV 1
ASSI { 623}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 36 and name HG3 ))
2.500 0.800 0.800 peak 623 spectrum 1 weight 0.10000E+01 volume 0.28481E-02 ppm1 2.317 ppm2 2.681 CV 1
ASSI { 625}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 4 and name HG ))
6.000 4.500 0.000 peak 625 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.317 ppm2 1.792 CV 1
ASSI { 627}
(( segid " " and resid 36 and name HG2 ))
( segid " " and resid 4 and name HD1%)
4.300 2.300 1.700 peak 627 spectrum 1 weight 0.10000E+01 volume 0.10795E-02 ppm1 2.317 ppm2 0.847 CV 1
ASSI { 629}
( segid " " and resid 37 and name HD2%)
(( segid " " and resid 37 and name HB2 ))
2.400 0.700 0.700 peak 629 spectrum 1 weight 0.10000E+01 volume 0.67709E-02 ppm1 0.032 ppm2 -0.829 CV 1
ASSI { 634}
( segid " " and resid 37 and name HD2%)
(( segid " " and resid 74 and name HG2 ))
4.900 3.100 1.100 peak 634 spectrum 1 weight 0.10000E+01 volume 0.15714E-03 ppm1 0.032 ppm2 1.780 CV 1
ASSI { 635}
( segid " " and resid 37 and name HD2%)
(( segid " " and resid 76 and name HB3 ))
4.600 2.700 1.400 peak 635 spectrum 1 weight 0.10000E+01 volume 0.19776E-03 ppm1 0.032 ppm2 2.891 CV 1
OR { 635}
( segid " " and resid 37 and name HD2%)
(( segid " " and resid 76 and name HB2 ))
ASSI { 636}
( segid " " and resid 37 and name HD2%)
(( segid " " and resid 37 and name HA ))
4.700 2.800 1.300 peak 636 spectrum 1 weight 0.10000E+01 volume 0.36249E-03 ppm1 0.032 ppm2 3.415 CV 1
ASSI { 637}
( segid " " and resid 37 and name HD2%)
(( segid " " and resid 74 and name HN ))
3.500 1.500 1.500 peak 637 spectrum 1 weight 0.10000E+01 volume 0.13027E-02 ppm1 0.032 ppm2 8.397 CV 1
ASSI { 639}
(( segid " " and resid 37 and name HG ))
( segid " " and resid 37 and name HD2%)
3.100 1.200 1.200 peak 639 spectrum 1 weight 0.10000E+01 volume 0.16292E-02 ppm1 1.088 ppm2 0.033 CV 1
ASSI { 640}
(( segid " " and resid 37 and name HG ))
(( segid " " and resid 37 and name HB2 ))
3.500 1.600 1.600 peak 640 spectrum 1 weight 0.10000E+01 volume 0.85447E-03 ppm1 1.088 ppm2 -0.827 CV 1
ASSI { 642}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 37 and name HB2 ))
3.200 1.300 1.300 peak 642 spectrum 1 weight 0.10000E+01 volume 0.14200E-02 ppm1 -0.504 ppm2 -0.831 CV 1
ASSI { 644}
( segid " " and resid 37 and name HD1%)
( segid " " and resid 37 and name HD2%)
3.200 1.300 1.300 peak 644 spectrum 1 weight 0.10000E+01 volume 0.18005E-02 ppm1 -0.504 ppm2 0.033 CV 1
ASSI { 645}
( segid " " and resid 37 and name HD1%)
( segid " " and resid 33 and name HG2%)
2.900 1.000 1.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.58159E-02 ppm1 -0.504 ppm2 0.716 CV 1
ASSI { 646}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 48 and name HB3 ))
4.900 3.000 1.100 peak 646 spectrum 1 weight 0.10000E+01 volume 0.32263E-03 ppm1 -0.504 ppm2 0.857 CV 1
ASSI { 647}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 37 and name HG ))
2.000 0.500 0.500 peak 647 spectrum 1 weight 0.10000E+01 volume 0.18542E-01 ppm1 -0.504 ppm2 1.089 CV 1
ASSI { 648}
( segid " " and resid 37 and name HD1%)
( segid " " and resid 19 and name HB% )
2.400 0.700 0.700 peak 648 spectrum 1 weight 0.10000E+01 volume 0.75883E-02 ppm1 -0.504 ppm2 1.416 CV 1
ASSI { 649}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 34 and name HA ))
4.000 2.000 2.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.12329E-02 ppm1 -0.504 ppm2 4.015 CV 1
ASSI { 651}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 19 and name HN ))
2.600 0.800 0.800 peak 651 spectrum 1 weight 0.10000E+01 volume 0.76075E-02 ppm1 -0.504 ppm2 10.067 CV 1
ASSI { 653}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HB3 ))
2.200 0.600 0.600 peak 653 spectrum 1 weight 0.10000E+01 volume 0.28481E-02 ppm1 -0.840 ppm2 0.947 CV 1
ASSI { 657}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 37 and name HD1%)
6.000 5.100 0.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.25294E-04 ppm1 3.407 ppm2 -0.498 CV 1
ASSI { 658}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HB2 ))
6.000 4.600 0.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.46207E-04 ppm1 3.407 ppm2 -0.832 CV 1
ASSI { 660}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB2 ))
2.100 0.500 0.500 peak 660 spectrum 1 weight 0.10000E+01 volume 0.20912E-01 ppm1 4.014 ppm2 2.076 CV 1
OR { 660}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB3 ))
ASSI { 662}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HG3 ))
5.000 3.200 1.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.10893E-03 ppm1 4.014 ppm2 2.531 CV 1
ASSI { 663}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 41 and name HB3 ))
2.800 2.800 3.200 peak 663 spectrum 1 weight 0.10000E+01 volume 0.27086E-02 ppm1 4.014 ppm2 2.603 CV 1
ASSI { 673}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 38 and name HB2 ))
6.000 4.500 0.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.279 ppm2 2.074 CV 1
OR { 673}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 38 and name HB3 ))
ASSI { 674}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 38 and name HG3 ))
6.000 4.500 0.000 peak 674 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.279 ppm2 2.535 CV 1
ASSI { 676}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 38 and name HA ))
3.000 1.100 1.100 peak 676 spectrum 1 weight 0.10000E+01 volume 0.54371E-02 ppm1 2.279 ppm2 4.029 CV 1
ASSI { 682}
(( segid " " and resid 38 and name HG3 ))
(( segid " " and resid 38 and name HB3 ))
3.300 1.400 1.400 peak 682 spectrum 1 weight 0.10000E+01 volume 0.14639E-02 ppm1 2.530 ppm2 2.078 CV 1
OR { 682}
(( segid " " and resid 38 and name HG3 ))
(( segid " " and resid 38 and name HB2 ))
ASSI { 685}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 42 and name HN ))
3.700 1.700 1.700 peak 685 spectrum 1 weight 0.10000E+01 volume 0.83244E-03 ppm1 4.160 ppm2 8.027 CV 1
ASSI { 687}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 42 and name HB% )
3.500 1.500 1.500 peak 687 spectrum 1 weight 0.10000E+01 volume 0.98793E-03 ppm1 4.160 ppm2 1.612 CV 1
ASSI { 688}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HD3 ))
4.900 3.000 1.100 peak 688 spectrum 1 weight 0.10000E+01 volume 0.40631E-03 ppm1 4.160 ppm2 3.198 CV 1
OR { 688}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HD2 ))
ASSI { 690}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HN ))
2.900 1.100 1.100 peak 690 spectrum 1 weight 0.10000E+01 volume 0.24298E-02 ppm1 1.952 ppm2 7.817 CV 1
OR { 690}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HN ))
ASSI { 691}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 40 and name HN ))
2.100 0.600 0.600 peak 691 spectrum 1 weight 0.10000E+01 volume 0.17346E-01 ppm1 1.952 ppm2 8.576 CV 1
OR { 691}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 40 and name HN ))
ASSI { 692}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HA ))
2.000 0.500 0.500 peak 692 spectrum 1 weight 0.10000E+01 volume 0.22904E-01 ppm1 1.952 ppm2 4.172 CV 1
OR { 692}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HA ))
ASSI { 694}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HD3 ))
3.500 1.500 1.500 peak 694 spectrum 1 weight 0.10000E+01 volume 0.10119E-02 ppm1 1.952 ppm2 3.171 CV 1
OR { 694}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HD3 ))
OR { 694}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HD2 ))
OR { 694}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HD2 ))
ASSI { 695}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 38 and name HG2 ))
6.000 4.500 0.000 peak 695 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.952 ppm2 2.269 CV 1
OR { 695}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 38 and name HG2 ))
ASSI { 697}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HG2 ))
6.000 4.500 0.000 peak 697 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.952 ppm2 1.612 CV 1
OR { 697}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HG2 ))
ASSI { 698}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HG3 ))
6.000 4.500 0.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.952 ppm2 1.749 CV 1
OR { 698}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HG3 ))
ASSI { 699}
(( segid " " and resid 39 and name HB3 ))
( segid " " and resid 4 and name HD1%)
5.000 3.200 1.000 peak 699 spectrum 1 weight 0.10000E+01 volume 0.37842E-03 ppm1 1.952 ppm2 0.843 CV 1
OR { 699}
(( segid " " and resid 39 and name HB2 ))
( segid " " and resid 4 and name HD1%)
ASSI { 701}
(( segid " " and resid 39 and name HD2 ))
( segid " " and resid 4 and name HD2%)
2.600 0.900 0.900 peak 701 spectrum 1 weight 0.10000E+01 volume 0.56959E-02 ppm1 3.182 ppm2 0.901 CV 1
OR { 701}
(( segid " " and resid 39 and name HD3 ))
( segid " " and resid 4 and name HD2%)
ASSI { 702}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 39 and name HG3 ))
2.100 0.500 0.500 peak 702 spectrum 1 weight 0.10000E+01 volume 0.26090E-01 ppm1 3.182 ppm2 1.757 CV 1
OR { 702}
(( segid " " and resid 39 and name HD2 ))
(( segid " " and resid 39 and name HG3 ))
ASSI { 708}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HG2 ))
6.000 4.500 0.000 peak 708 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.754 ppm2 1.628 CV 1
ASSI { 716}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HD2 ))
2.800 1.000 1.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.28878E-02 ppm1 1.630 ppm2 3.185 CV 1
OR { 716}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HD3 ))
ASSI { 719}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HG2 ))
2.200 0.600 0.600 peak 719 spectrum 1 weight 0.10000E+01 volume 0.11711E-01 ppm1 1.953 ppm2 2.146 CV 1
OR { 719}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 40 and name HG2 ))
ASSI { 721}
(( segid " " and resid 40 and name HG2 ))
(( segid " " and resid 41 and name HG2 ))
6.000 4.500 0.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.145 ppm2 2.451 CV 1
OR { 721}
(( segid " " and resid 40 and name HG2 ))
(( segid " " and resid 41 and name HG3 ))
ASSI { 722}
(( segid " " and resid 40 and name HG2 ))
(( segid " " and resid 4 and name HB3 ))
2.000 2.000 4.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.11890E-01 ppm1 2.145 ppm2 1.757 CV 1
OR { 722}
(( segid " " and resid 40 and name HG2 ))
(( segid " " and resid 4 and name HG ))
ASSI { 723}
(( segid " " and resid 40 and name HG3 ))
(( segid " " and resid 40 and name HG2 ))
2.700 0.900 0.900 peak 723 spectrum 1 weight 0.10000E+01 volume 0.16869E-02 ppm1 2.843 ppm2 2.151 CV 1
ASSI { 725}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HG2 ))
2.600 0.800 0.800 peak 725 spectrum 1 weight 0.10000E+01 volume 0.17486E-01 ppm1 3.957 ppm2 2.125 CV 1
ASSI { 726}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 4 and name HB2 ))
4.200 2.200 1.800 peak 726 spectrum 1 weight 0.10000E+01 volume 0.89236E-03 ppm1 3.957 ppm2 1.561 CV 1
ASSI { 727}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB3 ))
3.400 1.500 1.500 peak 727 spectrum 1 weight 0.10000E+01 volume 0.10954E-02 ppm1 3.957 ppm2 1.968 CV 1
OR { 727}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB2 ))
ASSI { 729}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HG3 ))
4.400 2.400 1.600 peak 729 spectrum 1 weight 0.10000E+01 volume 0.25294E-03 ppm1 3.957 ppm2 2.847 CV 1
ASSI { 731}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HN ))
3.300 1.400 1.400 peak 731 spectrum 1 weight 0.10000E+01 volume 0.13843E-02 ppm1 3.957 ppm2 8.593 CV 1
ASSI { 733}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 41 and name HA ))
2.200 0.600 0.600 peak 733 spectrum 1 weight 0.10000E+01 volume 0.17466E-01 ppm1 2.437 ppm2 4.243 CV 1
OR { 733}
(( segid " " and resid 41 and name HG3 ))
(( segid " " and resid 41 and name HA ))
ASSI { 734}
(( segid " " and resid 41 and name HG3 ))
(( segid " " and resid 41 and name HB2 ))
6.000 4.500 0.000 peak 734 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.437 ppm2 2.330 CV 1
OR { 734}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 41 and name HB2 ))
ASSI { 735}
(( segid " " and resid 41 and name HG3 ))
(( segid " " and resid 41 and name HB3 ))
6.000 4.500 0.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.437 ppm2 2.604 CV 1
OR { 735}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 41 and name HB3 ))
ASSI { 737}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HB2 ))
3.400 1.500 1.500 peak 737 spectrum 1 weight 0.10000E+01 volume 0.70507E-03 ppm1 4.236 ppm2 2.316 CV 1
ASSI { 739}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 41 and name HB2 ))
2.100 0.500 0.500 peak 739 spectrum 1 weight 0.10000E+01 volume 0.71492E-02 ppm1 2.568 ppm2 2.316 CV 1
ASSI { 742}
(( segid " " and resid 41 and name HA ))
( segid " " and resid 46 and name HG2%)
3.800 3.800 2.200 peak 742 spectrum 1 weight 0.10000E+01 volume 0.22108E-02 ppm1 4.236 ppm2 0.850 CV 1
ASSI { 744}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 46 and name HN ))
3.000 1.100 1.100 peak 744 spectrum 1 weight 0.10000E+01 volume 0.54771E-02 ppm1 4.236 ppm2 7.087 CV 1
ASSI { 746}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 44 and name HN ))
5.100 3.300 0.900 peak 746 spectrum 1 weight 0.10000E+01 volume 0.10995E-03 ppm1 4.236 ppm2 8.029 CV 1
ASSI { 749}
( segid " " and resid 42 and name HB% )
( segid " " and resid 35 and name HB% )
6.000 6.000 0.000 peak 749 spectrum 1 weight 0.10000E+01 volume 0.12787E-05 ppm1 1.602 ppm2 1.417 CV 1
ASSI { 750}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 43 and name HG3 ))
5.600 3.900 0.400 peak 750 spectrum 1 weight 0.10000E+01 volume 0.11771E-03 ppm1 1.602 ppm2 2.825 CV 1
ASSI { 753}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 42 and name HA ))
2.900 1.000 1.000 peak 753 spectrum 1 weight 0.10000E+01 volume 0.35052E-02 ppm1 1.602 ppm2 4.244 CV 1
ASSI { 762}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 43 and name HB2 ))
2.800 2.800 3.200 peak 762 spectrum 1 weight 0.10000E+01 volume 0.11312E-01 ppm1 1.602 ppm2 2.014 CV 1
ASSI { 764}
(( segid " " and resid 43 and name HG3 ))
(( segid " " and resid 43 and name HG2 ))
2.800 1.000 1.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.13802E-02 ppm1 2.813 ppm2 2.624 CV 1
ASSI { 765}
(( segid " " and resid 43 and name HG3 ))
(( segid " " and resid 43 and name HB2 ))
2.700 0.900 0.900 peak 765 spectrum 1 weight 0.10000E+01 volume 0.45410E-02 ppm1 2.813 ppm2 2.040 CV 1
ASSI { 766}
(( segid " " and resid 43 and name HG3 ))
(( segid " " and resid 43 and name HB3 ))
3.200 1.300 1.300 peak 766 spectrum 1 weight 0.10000E+01 volume 0.21708E-02 ppm1 2.813 ppm2 2.369 CV 1
ASSI { 767}
(( segid " " and resid 43 and name HG3 ))
(( segid " " and resid 43 and name HA ))
4.600 2.600 1.400 peak 767 spectrum 1 weight 0.10000E+01 volume 0.48796E-03 ppm1 2.813 ppm2 4.401 CV 1
ASSI { 769}
(( segid " " and resid 43 and name HG2 ))
(( segid " " and resid 43 and name HB2 ))
6.000 4.500 0.000 peak 769 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.626 ppm2 2.040 CV 1
ASSI { 770}
(( segid " " and resid 43 and name HG2 ))
(( segid " " and resid 43 and name HB3 ))
6.000 4.500 0.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.626 ppm2 2.369 CV 1
ASSI { 773}
(( segid " " and resid 43 and name HG2 ))
(( segid " " and resid 43 and name HA ))
3.600 1.600 1.600 peak 773 spectrum 1 weight 0.10000E+01 volume 0.12070E-02 ppm1 2.626 ppm2 4.401 CV 1
ASSI { 774}
(( segid " " and resid 43 and name HG2 ))
(( segid " " and resid 43 and name HN ))
2.900 1.000 1.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.32663E-02 ppm1 2.626 ppm2 7.645 CV 1
ASSI { 776}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 43 and name HB3 ))
6.000 4.500 0.000 peak 776 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.029 ppm2 2.365 CV 1
ASSI { 781}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 43 and name HA ))
3.500 1.600 1.600 peak 781 spectrum 1 weight 0.10000E+01 volume 0.85645E-03 ppm1 2.368 ppm2 4.408 CV 1
ASSI { 783}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HB2 ))
3.300 1.400 1.400 peak 783 spectrum 1 weight 0.10000E+01 volume 0.24895E-02 ppm1 4.399 ppm2 2.036 CV 1
ASSI { 796}
(( segid " " and resid 44 and name HA2 ))
(( segid " " and resid 44 and name HA1 ))
2.700 0.900 0.900 peak 796 spectrum 1 weight 0.10000E+01 volume 0.19259E-02 ppm1 4.195 ppm2 4.065 CV 1
ASSI { 800}
(( segid " " and resid 44 and name HA2 ))
(( segid " " and resid 44 and name HN ))
3.500 1.500 1.500 peak 800 spectrum 1 weight 0.10000E+01 volume 0.19479E-02 ppm1 4.195 ppm2 8.023 CV 1
ASSI { 802}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 46 and name HG1%)
3.200 1.300 1.300 peak 802 spectrum 1 weight 0.10000E+01 volume 0.18561E-02 ppm1 5.276 ppm2 0.812 CV 1
OR { 802}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 46 and name HG2%)
ASSI { 803}
(( segid " " and resid 46 and name HB ))
( segid " " and resid 46 and name HG1%)
2.700 0.900 0.900 peak 803 spectrum 1 weight 0.10000E+01 volume 0.30671E-02 ppm1 2.312 ppm2 0.841 CV 1
OR { 803}
(( segid " " and resid 46 and name HB ))
( segid " " and resid 46 and name HG2%)
ASSI { 806}
(( segid " " and resid 46 and name HB ))
(( segid " " and resid 79 and name HA ))
3.600 3.600 2.400 peak 806 spectrum 1 weight 0.10000E+01 volume 0.22108E-02 ppm1 2.312 ppm2 4.223 CV 1
ASSI { 807}
(( segid " " and resid 46 and name HB ))
(( segid " " and resid 46 and name HA ))
2.900 1.000 1.000 peak 807 spectrum 1 weight 0.10000E+01 volume 0.27883E-02 ppm1 2.312 ppm2 5.301 CV 1
ASSI { 810}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 78 and name HA ))
3.600 1.600 1.600 peak 810 spectrum 1 weight 0.10000E+01 volume 0.56959E-02 ppm1 5.276 ppm2 4.511 CV 1
ASSI { 814}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 45 and name HN ))
6.000 6.000 0.000 peak 814 spectrum 1 weight 0.10000E+01 volume 0.43418E-05 ppm1 5.276 ppm2 8.314 CV 1
ASSI { 817}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 46 and name HB ))
6.000 4.500 0.000 peak 817 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.839 ppm2 2.314 CV 1
ASSI { 819}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 46 and name HA ))
6.000 4.500 0.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.839 ppm2 5.292 CV 1
ASSI { 820}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 46 and name HN ))
2.500 0.800 0.800 peak 820 spectrum 1 weight 0.10000E+01 volume 0.79263E-02 ppm1 0.839 ppm2 7.108 CV 1
ASSI { 822}
(( segid " " and resid 47 and name HB ))
( segid " " and resid 47 and name HG2%)
3.000 1.100 1.100 peak 822 spectrum 1 weight 0.10000E+01 volume 0.25294E-02 ppm1 1.883 ppm2 0.802 CV 1
ASSI { 826}
(( segid " " and resid 47 and name HB ))
(( segid " " and resid 47 and name HA ))
2.300 2.300 3.700 peak 826 spectrum 1 weight 0.10000E+01 volume 0.13663E-01 ppm1 1.883 ppm2 4.756 CV 1
ASSI { 827}
(( segid " " and resid 47 and name HB ))
(( segid " " and resid 48 and name HN ))
4.300 2.300 1.700 peak 827 spectrum 1 weight 0.10000E+01 volume 0.89236E-03 ppm1 1.883 ppm2 8.265 CV 1
ASSI { 829}
( segid " " and resid 47 and name HG2%)
( segid " " and resid 47 and name HG1%)
6.000 4.500 0.000 peak 829 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.800 ppm2 0.756 CV 1
ASSI { 834}
( segid " " and resid 47 and name HG2%)
(( segid " " and resid 79 and name HD2 ))
2.200 2.200 3.800 peak 834 spectrum 1 weight 0.10000E+01 volume 0.83846E-02 ppm1 0.800 ppm2 3.043 CV 1
OR { 834}
( segid " " and resid 47 and name HG2%)
(( segid " " and resid 79 and name HD3 ))
ASSI { 841}
( segid " " and resid 47 and name HG1%)
(( segid " " and resid 47 and name HB ))
6.000 4.500 0.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.760 ppm2 1.885 CV 1
ASSI { 842}
( segid " " and resid 47 and name HG1%)
(( segid " " and resid 47 and name HA ))
2.300 0.700 0.700 peak 842 spectrum 1 weight 0.10000E+01 volume 0.15534E-01 ppm1 0.760 ppm2 4.753 CV 1
ASSI { 848}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 48 and name HB3 ))
1.700 0.400 0.500 peak 848 spectrum 1 weight 0.10000E+01 volume 0.19637E-01 ppm1 0.749 ppm2 0.855 CV 1
ASSI { 849}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 48 and name HG3 ))
3.300 1.400 1.400 peak 849 spectrum 1 weight 0.10000E+01 volume 0.13982E-02 ppm1 0.749 ppm2 0.336 CV 1
OR { 849}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 48 and name HG2 ))
ASSI { 850}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 48 and name HG3 ))
3.100 1.200 1.200 peak 850 spectrum 1 weight 0.10000E+01 volume 0.13982E-02 ppm1 0.861 ppm2 0.334 CV 1
OR { 850}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 48 and name HG2 ))
ASSI { 854}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 48 and name HA ))
4.400 2.500 1.600 peak 854 spectrum 1 weight 0.10000E+01 volume 0.17169E-03 ppm1 0.749 ppm2 4.140 CV 1
ASSI { 855}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HB3 ))
2.200 0.600 0.600 peak 855 spectrum 1 weight 0.10000E+01 volume 0.13941E-01 ppm1 4.131 ppm2 0.850 CV 1
ASSI { 856}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 76 and name HA ))
2.300 0.700 0.700 peak 856 spectrum 1 weight 0.10000E+01 volume 0.92014E-02 ppm1 4.131 ppm2 5.341 CV 1
ASSI { 857}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 49 and name HN ))
2.600 0.900 0.900 peak 857 spectrum 1 weight 0.10000E+01 volume 0.38439E-02 ppm1 4.131 ppm2 9.040 CV 1
ASSI { 859}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HB ))
4.300 2.300 1.700 peak 859 spectrum 1 weight 0.10000E+01 volume 0.29875E-03 ppm1 4.150 ppm2 1.623 CV 1
ASSI { 866}
(( segid " " and resid 49 and name HB ))
(( segid " " and resid 75 and name HN ))
2.800 1.000 1.000 peak 866 spectrum 1 weight 0.10000E+01 volume 0.31469E-02 ppm1 1.618 ppm2 9.016 CV 1
ASSI { 868}
( segid " " and resid 49 and name HD1%)
( segid " " and resid 49 and name HG2%)
3.400 1.500 1.500 peak 868 spectrum 1 weight 0.10000E+01 volume 0.13642E-02 ppm1 0.645 ppm2 0.807 CV 1
ASSI { 871}
( segid " " and resid 49 and name HD1%)
(( segid " " and resid 49 and name HB ))
3.200 1.300 1.300 peak 871 spectrum 1 weight 0.10000E+01 volume 0.23502E-02 ppm1 0.645 ppm2 1.602 CV 1
ASSI { 874}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 49 and name HG13))
2.600 0.800 0.800 peak 874 spectrum 1 weight 0.10000E+01 volume 0.13364E-01 ppm1 0.791 ppm2 1.265 CV 1
ASSI { 875}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 75 and name HB3 ))
2.800 1.000 1.000 peak 875 spectrum 1 weight 0.10000E+01 volume 0.12109E-01 ppm1 0.791 ppm2 2.894 CV 1
OR { 875}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 75 and name HB2 ))
ASSI { 876}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 49 and name HA ))
3.000 1.200 1.200 peak 876 spectrum 1 weight 0.10000E+01 volume 0.23303E-02 ppm1 0.791 ppm2 4.177 CV 1
ASSI { 877}
( segid " " and resid 49 and name HD1%)
(( segid " " and resid 49 and name HA ))
3.200 1.300 1.300 peak 877 spectrum 1 weight 0.10000E+01 volume 0.35052E-02 ppm1 0.645 ppm2 4.163 CV 1
ASSI { 878}
( segid " " and resid 49 and name HD1%)
(( segid " " and resid 75 and name HB2 ))
3.900 1.900 1.900 peak 878 spectrum 1 weight 0.10000E+01 volume 0.11213E-02 ppm1 0.645 ppm2 2.884 CV 1
OR { 878}
( segid " " and resid 49 and name HD1%)
(( segid " " and resid 75 and name HB3 ))
ASSI { 879}
( segid " " and resid 49 and name HD1%)
(( segid " " and resid 75 and name HN ))
3.900 1.900 1.900 peak 879 spectrum 1 weight 0.10000E+01 volume 0.16869E-02 ppm1 0.645 ppm2 9.018 CV 1
ASSI { 880}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 75 and name HN ))
2.600 2.600 3.400 peak 880 spectrum 1 weight 0.10000E+01 volume 0.13663E-01 ppm1 0.791 ppm2 9.018 CV 1
ASSI { 884}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 49 and name HB ))
3.100 1.200 1.200 peak 884 spectrum 1 weight 0.10000E+01 volume 0.17587E-02 ppm1 0.791 ppm2 1.619 CV 1
ASSI { 885}
(( segid " " and resid 49 and name HG13))
(( segid " " and resid 49 and name HG12))
2.400 0.700 0.700 peak 885 spectrum 1 weight 0.10000E+01 volume 0.31667E-02 ppm1 1.263 ppm2 0.939 CV 1
ASSI { 891}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 50 and name HA ))
2.000 0.500 0.500 peak 891 spectrum 1 weight 0.10000E+01 volume 0.17068E-01 ppm1 3.728 ppm2 4.964 CV 1
OR { 891}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 50 and name HA ))
ASSI { 892}
(( segid " " and resid 50 and name HB3 ))
( segid " " and resid 49 and name HG2%)
3.000 3.000 3.000 peak 892 spectrum 1 weight 0.10000E+01 volume 0.85036E-02 ppm1 3.728 ppm2 0.796 CV 1
OR { 892}
(( segid " " and resid 50 and name HB2 ))
( segid " " and resid 49 and name HG2%)
ASSI { 894}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 38 and name HN ))
6.000 4.500 0.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.76075E-04 ppm1 3.728 ppm2 7.798 CV 1
OR { 894}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 38 and name HN ))
ASSI { 896}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 51 and name HB3 ))
6.000 5.000 0.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.12548E-03 ppm1 3.728 ppm2 2.085 CV 1
OR { 896}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 51 and name HB3 ))
ASSI { 898}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 51 and name HN ))
6.000 4.500 0.000 peak 898 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.945 ppm2 8.727 CV 1
ASSI { 903}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 51 and name HG3 ))
6.000 4.500 0.000 peak 903 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.896 ppm2 2.174 CV 1
OR { 903}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 51 and name HG2 ))
ASSI { 904}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 49 and name HB ))
6.000 4.500 0.000 peak 904 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.896 ppm2 1.600 CV 1
ASSI { 906}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 51 and name HA ))
2.900 1.100 1.100 peak 906 spectrum 1 weight 0.10000E+01 volume 0.21909E-02 ppm1 1.896 ppm2 4.542 CV 1
ASSI { 914}
(( segid " " and resid 51 and name HG3 ))
(( segid " " and resid 52 and name HN ))
2.200 0.600 0.600 peak 914 spectrum 1 weight 0.10000E+01 volume 0.17068E-01 ppm1 2.178 ppm2 8.461 CV 1
OR { 914}
(( segid " " and resid 51 and name HG2 ))
(( segid " " and resid 52 and name HN ))
ASSI { 915}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 52 and name HN ))
1.900 0.500 0.500 peak 915 spectrum 1 weight 0.10000E+01 volume 0.25693E-01 ppm1 4.521 ppm2 8.448 CV 1
ASSI { 925}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HB ))
2.700 0.900 0.900 peak 925 spectrum 1 weight 0.10000E+01 volume 0.41426E-02 ppm1 4.514 ppm2 4.197 CV 1
ASSI { 934}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 52 and name HB ))
2.300 0.700 0.700 peak 934 spectrum 1 weight 0.10000E+01 volume 0.12587E-01 ppm1 1.136 ppm2 4.197 CV 1
ASSI { 936}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 52 and name HN ))
2.000 0.500 0.500 peak 936 spectrum 1 weight 0.10000E+01 volume 0.24298E-01 ppm1 1.136 ppm2 8.457 CV 1
ASSI { 941}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 31 and name HG2 ))
2.700 0.900 0.900 peak 941 spectrum 1 weight 0.10000E+01 volume 0.27883E-01 ppm1 4.450 ppm2 1.968 CV 1
ASSI { 949}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HN ))
2.800 1.000 1.000 peak 949 spectrum 1 weight 0.10000E+01 volume 0.43617E-02 ppm1 3.843 ppm2 8.490 CV 1
OR { 949}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 53 and name HN ))
ASSI { 956}
(( segid " " and resid 54 and name HG2 ))
(( segid " " and resid 54 and name HA ))
3.200 1.300 1.300 peak 956 spectrum 1 weight 0.10000E+01 volume 0.30870E-02 ppm1 2.246 ppm2 4.212 CV 1
OR { 956}
(( segid " " and resid 54 and name HG3 ))
(( segid " " and resid 54 and name HA ))
ASSI { 960}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 54 and name HB3 ))
6.000 4.500 0.000 peak 960 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.912 ppm2 2.029 CV 1
ASSI { 963}
(( segid " " and resid 6 and name HB2 ))
( segid " " and resid 7 and name HG2%)
6.000 4.500 0.000 peak 963 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.912 ppm2 0.806 CV 1
ASSI { 964}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 54 and name HA ))
2.100 0.500 0.500 peak 964 spectrum 1 weight 0.10000E+01 volume 0.22306E-01 ppm1 1.912 ppm2 4.212 CV 1
ASSI { 969}
(( segid " " and resid 54 and name HB3 ))
(( segid " " and resid 56 and name HN ))
3.100 3.100 2.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.35253E-02 ppm1 2.028 ppm2 8.226 CV 1
ASSI { 972}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 66 and name HG2 ))
4.900 3.000 1.100 peak 972 spectrum 1 weight 0.10000E+01 volume 0.21511E-03 ppm1 4.217 ppm2 2.249 CV 1
OR { 972}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 66 and name HG3 ))
ASSI { 982}
(( segid " " and resid 55 and name HA2 ))
(( segid " " and resid 54 and name HB3 ))
4.200 2.200 1.800 peak 982 spectrum 1 weight 0.10000E+01 volume 0.77266E-03 ppm1 3.914 ppm2 2.015 CV 1
OR { 982}
(( segid " " and resid 55 and name HA1 ))
(( segid " " and resid 54 and name HB3 ))
ASSI { 985}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 56 and name HN ))
3.200 1.300 1.300 peak 985 spectrum 1 weight 0.10000E+01 volume 0.24697E-02 ppm1 2.875 ppm2 8.218 CV 1
OR { 985}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 56 and name HN ))
ASSI { 989}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 56 and name HA ))
2.900 1.000 1.000 peak 989 spectrum 1 weight 0.10000E+01 volume 0.40828E-02 ppm1 2.875 ppm2 4.468 CV 1
OR { 989}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 56 and name HA ))
ASSI { 992}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HN ))
2.500 0.800 0.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.84249E-02 ppm1 4.471 ppm2 8.217 CV 1
ASSI { 998}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 55 and name HA1 ))
4.900 3.000 1.100 peak 998 spectrum 1 weight 0.10000E+01 volume 0.34256E-03 ppm1 4.471 ppm2 3.909 CV 1
OR { 998}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 55 and name HA2 ))
ASSI { 1010}
(( segid " " and resid 57 and name HA ))
( segid " " and resid 57 and name HD1%)
3.100 1.200 1.200 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.37842E-02 ppm1 4.359 ppm2 0.795 CV 1
ASSI { 1011}
(( segid " " and resid 57 and name HA ))
( segid " " and resid 57 and name HD2%)
6.000 6.000 0.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.17726E-05 ppm1 4.359 ppm2 0.862 CV 1
ASSI { 1015}
(( segid " " and resid 57 and name HB3 ))
( segid " " and resid 57 and name HD2%)
2.100 0.600 0.600 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.20315E-01 ppm1 1.632 ppm2 0.883 CV 1
ASSI { 1016}
(( segid " " and resid 57 and name HB2 ))
( segid " " and resid 57 and name HD2%)
2.300 2.300 3.700 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.19100E-01 ppm1 1.550 ppm2 0.853 CV 1
ASSI { 1018}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 57 and name HB3 ))
1.400 0.200 0.800 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.86630E-01 ppm1 1.550 ppm2 1.618 CV 1
ASSI { 1020}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 57 and name HA ))
2.500 0.800 0.800 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.12151E-01 ppm1 1.550 ppm2 4.362 CV 1
ASSI { 1028}
( segid " " and resid 57 and name HD1%)
(( segid " " and resid 57 and name HB2 ))
6.000 4.500 0.000 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.798 ppm2 1.551 CV 1
ASSI { 1041}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HN ))
6.000 6.000 0.000 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.14021E-04 ppm1 3.825 ppm2 8.491 CV 1
ASSI { 1043}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HB2 ))
6.000 5.100 0.000 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.40033E-04 ppm1 4.371 ppm2 3.819 CV 1
ASSI { 1045}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HB3 ))
2.000 0.500 0.500 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.24298E-01 ppm1 4.371 ppm2 3.879 CV 1
ASSI { 1052}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 59 and name HN ))
3.200 1.300 1.300 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.22904E-02 ppm1 4.371 ppm2 8.469 CV 1
ASSI { 1069}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 61 and name HN ))
6.000 4.900 0.000 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.33260E-04 ppm1 4.428 ppm2 8.402 CV 1
ASSI { 1076}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HB3 ))
2.500 0.800 0.800 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.86835E-02 ppm1 4.504 ppm2 2.912 CV 1
OR { 1076}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HB2 ))
ASSI { 1094}
(( segid " " and resid 62 and name HA ))
( segid " " and resid 52 and name HG2%)
3.100 3.100 2.900 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.86835E-03 ppm1 4.274 ppm2 1.137 CV 1
ASSI { 1096}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HD3 ))
6.000 4.500 0.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.709 ppm2 1.630 CV 1
OR { 1096}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HD2 ))
ASSI { 1098}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HG3 ))
6.000 4.500 0.000 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.709 ppm2 1.395 CV 1
OR { 1098}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HG2 ))
ASSI { 1100}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HB3 ))
6.000 4.500 0.000 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.709 ppm2 1.821 CV 1
ASSI { 1101}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HA ))
3.900 1.900 1.900 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.46803E-03 ppm1 1.709 ppm2 4.280 CV 1
ASSI { 1102}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 69 and name HN ))
1.900 0.400 0.400 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.34854E-01 ppm1 4.274 ppm2 8.295 CV 1
ASSI { 1109}
(( segid " " and resid 62 and name HD3 ))
(( segid " " and resid 62 and name HG3 ))
6.000 4.500 0.000 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.629 ppm2 1.405 CV 1
OR { 1109}
(( segid " " and resid 62 and name HD2 ))
(( segid " " and resid 62 and name HG2 ))
OR { 1109}
(( segid " " and resid 62 and name HD3 ))
(( segid " " and resid 62 and name HG2 ))
OR { 1109}
(( segid " " and resid 62 and name HD2 ))
(( segid " " and resid 62 and name HG3 ))
ASSI { 1111}
(( segid " " and resid 62 and name HE3 ))
(( segid " " and resid 62 and name HG3 ))
3.100 1.200 1.200 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.26090E-02 ppm1 2.940 ppm2 1.405 CV 1
OR { 1111}
(( segid " " and resid 62 and name HE3 ))
(( segid " " and resid 62 and name HG2 ))
OR { 1111}
(( segid " " and resid 62 and name HE2 ))
(( segid " " and resid 62 and name HG2 ))
OR { 1111}
(( segid " " and resid 62 and name HE2 ))
(( segid " " and resid 62 and name HG3 ))
ASSI { 1113}
(( segid " " and resid 62 and name HE3 ))
(( segid " " and resid 62 and name HB2 ))
5.800 4.200 0.200 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.10037E-03 ppm1 2.940 ppm2 1.707 CV 1
OR { 1113}
(( segid " " and resid 62 and name HE2 ))
(( segid " " and resid 62 and name HB2 ))
ASSI { 1114}
(( segid " " and resid 62 and name HE3 ))
(( segid " " and resid 63 and name HA ))
3.000 3.000 3.000 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.12647E-02 ppm1 2.940 ppm2 4.380 CV 1
OR { 1114}
(( segid " " and resid 62 and name HE2 ))
(( segid " " and resid 63 and name HA ))
ASSI { 1119}
(( segid " " and resid 62 and name HG2 ))
(( segid " " and resid 62 and name HB3 ))
6.000 4.500 0.000 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.396 ppm2 1.827 CV 1
OR { 1119}
(( segid " " and resid 62 and name HG3 ))
(( segid " " and resid 62 and name HB3 ))
ASSI { 1121}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 51 and name HN ))
5.000 3.100 1.000 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.17408E-03 ppm1 1.629 ppm2 8.734 CV 1
OR { 1121}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 51 and name HN ))
ASSI { 1127}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 64 and name HB2 ))
6.000 6.000 0.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.14279E-05 ppm1 4.396 ppm2 2.851 CV 1
OR { 1127}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 64 and name HB3 ))
ASSI { 1136}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 64 and name HB2 ))
6.000 4.500 0.000 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.782 ppm2 2.852 CV 1
OR { 1136}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 64 and name HB3 ))
ASSI { 1146}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 66 and name HN ))
3.400 1.400 1.400 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.17408E-02 ppm1 4.347 ppm2 8.687 CV 1
ASSI { 1149}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HB2 ))
4.900 3.000 1.100 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.23900E-03 ppm1 4.347 ppm2 1.878 CV 1
ASSI { 1150}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HG2 ))
3.700 1.700 1.700 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.26090E-02 ppm1 4.347 ppm2 1.972 CV 1
OR { 1150}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HG3 ))
ASSI { 1151}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 65 and name HB2 ))
6.000 4.500 0.000 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.271 ppm2 1.880 CV 1
ASSI { 1152}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 65 and name HG2 ))
6.000 4.500 0.000 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.271 ppm2 1.973 CV 1
OR { 1152}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 65 and name HG3 ))
ASSI { 1154}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 65 and name HA ))
2.500 0.800 0.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.66505E-02 ppm1 2.271 ppm2 4.355 CV 1
ASSI { 1158}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 66 and name HB3 ))
6.000 4.500 0.000 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.877 ppm2 2.044 CV 1
ASSI { 1159}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 18 and name HB3 ))
6.000 4.500 0.000 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.877 ppm2 2.218 CV 1
ASSI { 1160}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 66 and name HN ))
6.000 6.000 0.000 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.13642E-05 ppm1 1.877 ppm2 8.685 CV 1
ASSI { 1161}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HN ))
3.600 1.700 1.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.44813E-03 ppm1 1.877 ppm2 9.148 CV 1
ASSI { 1163}
(( segid " " and resid 65 and name HD2 ))
(( segid " " and resid 65 and name HG3 ))
2.600 0.800 0.800 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.52580E-02 ppm1 3.717 ppm2 1.987 CV 1
OR { 1163}
(( segid " " and resid 65 and name HD3 ))
(( segid " " and resid 65 and name HG2 ))
OR { 1163}
(( segid " " and resid 65 and name HD2 ))
(( segid " " and resid 65 and name HG2 ))
OR { 1163}
(( segid " " and resid 65 and name HD3 ))
(( segid " " and resid 65 and name HG3 ))
ASSI { 1166}
(( segid " " and resid 65 and name HD3 ))
(( segid " " and resid 64 and name HA ))
3.000 1.100 1.100 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.22108E-02 ppm1 3.717 ppm2 4.798 CV 1
OR { 1166}
(( segid " " and resid 65 and name HD2 ))
(( segid " " and resid 64 and name HA ))
ASSI { 1170}
(( segid " " and resid 66 and name HG2 ))
(( segid " " and resid 66 and name HB2 ))
6.000 4.500 0.000 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.249 ppm2 1.933 CV 1
OR { 1170}
(( segid " " and resid 66 and name HG3 ))
(( segid " " and resid 66 and name HB2 ))
ASSI { 1171}
(( segid " " and resid 66 and name HG3 ))
(( segid " " and resid 66 and name HB3 ))
6.000 4.500 0.000 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.248 ppm2 2.037 CV 1
OR { 1171}
(( segid " " and resid 66 and name HG2 ))
(( segid " " and resid 66 and name HB3 ))
ASSI { 1173}
(( segid " " and resid 66 and name HG3 ))
(( segid " " and resid 68 and name HB2 ))
6.000 6.000 0.000 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.28083E-05 ppm1 2.248 ppm2 1.695 CV 1
OR { 1173}
(( segid " " and resid 66 and name HG2 ))
(( segid " " and resid 68 and name HB2 ))
ASSI { 1178}
(( segid " " and resid 66 and name HG3 ))
(( segid " " and resid 68 and name HA ))
2.300 2.300 3.700 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.17187E-01 ppm1 2.248 ppm2 4.267 CV 1
OR { 1178}
(( segid " " and resid 66 and name HG2 ))
(( segid " " and resid 68 and name HA ))
ASSI { 1179}
(( segid " " and resid 66 and name HB2 ))
(( segid " " and resid 66 and name HB3 ))
6.000 4.500 0.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.913 ppm2 2.037 CV 1
ASSI { 1184}
(( segid " " and resid 66 and name HB2 ))
(( segid " " and resid 66 and name HA ))
2.000 0.500 0.500 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.23502E-01 ppm1 1.913 ppm2 4.217 CV 1
ASSI { 1190}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 10 and name HG2 ))
6.000 4.500 0.000 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.030 ppm2 2.470 CV 1
OR { 1190}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 10 and name HG3 ))
ASSI { 1192}
(( segid " " and resid 66 and name HB3 ))
(( segid " " and resid 66 and name HA ))
2.300 2.300 3.700 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.24298E-01 ppm1 2.030 ppm2 4.220 CV 1
ASSI { 1195}
(( segid " " and resid 66 and name HB3 ))
(( segid " " and resid 67 and name HN ))
2.100 0.600 0.600 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.12229E-01 ppm1 2.030 ppm2 8.332 CV 1
ASSI { 1197}
(( segid " " and resid 67 and name HA1 ))
(( segid " " and resid 67 and name HA2 ))
1.600 0.300 0.600 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.57758E-01 ppm1 3.849 ppm2 3.968 CV 1
ASSI { 1198}
(( segid " " and resid 67 and name HA1 ))
(( segid " " and resid 67 and name HN ))
2.000 0.500 0.500 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.24298E-01 ppm1 3.849 ppm2 8.305 CV 1
ASSI { 1203}
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 68 and name HA ))
3.400 1.500 1.500 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.96590E-03 ppm1 1.696 ppm2 4.284 CV 1
ASSI { 1204}
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 68 and name HD3 ))
6.000 4.500 0.000 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.696 ppm2 1.631 CV 1
OR { 1204}
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 68 and name HD2 ))
ASSI { 1206}
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 68 and name HB3 ))
6.000 4.500 0.000 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.696 ppm2 1.805 CV 1
ASSI { 1207}
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 68 and name HG2 ))
6.000 4.500 0.000 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.696 ppm2 1.379 CV 1
OR { 1207}
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 68 and name HG3 ))
ASSI { 1213}
(( segid " " and resid 68 and name HG3 ))
(( segid " " and resid 68 and name HD3 ))
6.000 4.500 0.000 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.366 ppm2 1.628 CV 1
OR { 1213}
(( segid " " and resid 68 and name HG2 ))
(( segid " " and resid 68 and name HD2 ))
OR { 1213}
(( segid " " and resid 68 and name HG3 ))
(( segid " " and resid 68 and name HD2 ))
OR { 1213}
(( segid " " and resid 68 and name HG2 ))
(( segid " " and resid 68 and name HD3 ))
ASSI { 1217}
(( segid " " and resid 68 and name HD2 ))
(( segid " " and resid 68 and name HB3 ))
6.000 4.500 0.000 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.621 ppm2 1.802 CV 1
OR { 1217}
(( segid " " and resid 68 and name HD3 ))
(( segid " " and resid 68 and name HB3 ))
ASSI { 1221}
(( segid " " and resid 68 and name HB3 ))
(( segid " " and resid 68 and name HA ))
2.300 2.300 3.700 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.15874E-01 ppm1 1.812 ppm2 4.280 CV 1
ASSI { 1240}
(( segid " " and resid 71 and name HB2 ))
(( segid " " and resid 31 and name HD3 ))
3.700 1.800 1.800 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.85036E-03 ppm1 2.870 ppm2 3.768 CV 1
OR { 1240}
(( segid " " and resid 71 and name HB3 ))
(( segid " " and resid 31 and name HD3 ))
ASSI { 1241}
(( segid " " and resid 71 and name HB2 ))
(( segid " " and resid 71 and name HA ))
2.600 0.900 0.900 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.51584E-02 ppm1 2.870 ppm2 4.458 CV 1
OR { 1241}
(( segid " " and resid 71 and name HB3 ))
(( segid " " and resid 71 and name HA ))
ASSI { 1244}
(( segid " " and resid 71 and name HB2 ))
(( segid " " and resid 72 and name HN ))
3.200 1.300 1.300 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.49991E-02 ppm1 2.870 ppm2 8.439 CV 1
OR { 1244}
(( segid " " and resid 71 and name HB3 ))
(( segid " " and resid 72 and name HN ))
ASSI { 1257}
(( segid " " and resid 72 and name HD3 ))
(( segid " " and resid 72 and name HA ))
4.500 2.500 1.500 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.57758E-03 ppm1 3.091 ppm2 4.455 CV 1
ASSI { 1259}
(( segid " " and resid 72 and name HD3 ))
(( segid " " and resid 72 and name HG3 ))
1.600 0.300 0.600 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.62343E-01 ppm1 3.091 ppm2 1.542 CV 1
OR { 1259}
(( segid " " and resid 72 and name HD2 ))
(( segid " " and resid 72 and name HG3 ))
ASSI { 1260}
(( segid " " and resid 72 and name HD2 ))
(( segid " " and resid 72 and name HB2 ))
2.400 0.700 0.700 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.76075E-02 ppm1 3.091 ppm2 1.664 CV 1
OR { 1260}
(( segid " " and resid 72 and name HD3 ))
(( segid " " and resid 72 and name HB2 ))
ASSI { 1261}
(( segid " " and resid 72 and name HD2 ))
(( segid " " and resid 72 and name HB3 ))
2.000 2.000 4.000 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.30273E-01 ppm1 3.091 ppm2 1.739 CV 1
OR { 1261}
(( segid " " and resid 72 and name HD3 ))
(( segid " " and resid 72 and name HB3 ))
ASSI { 1263}
(( segid " " and resid 72 and name HD3 ))
(( segid " " and resid 74 and name HG2 ))
6.000 5.200 0.000 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.11711E-04 ppm1 3.091 ppm2 1.786 CV 1
ASSI { 1265}
(( segid " " and resid 72 and name HG2 ))
(( segid " " and resid 72 and name HG3 ))
6.000 4.500 0.000 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.463 ppm2 1.542 CV 1
ASSI { 1266}
(( segid " " and resid 72 and name HG2 ))
(( segid " " and resid 72 and name HB3 ))
6.000 4.500 0.000 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.463 ppm2 1.739 CV 1
ASSI { 1270}
(( segid " " and resid 72 and name HG2 ))
(( segid " " and resid 72 and name HD2 ))
2.100 0.600 0.600 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.17745E-01 ppm1 1.463 ppm2 3.099 CV 1
OR { 1270}
(( segid " " and resid 72 and name HG2 ))
(( segid " " and resid 72 and name HD3 ))
ASSI { 1271}
(( segid " " and resid 72 and name HG2 ))
(( segid " " and resid 72 and name HN ))
2.100 0.600 0.600 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.10934E-01 ppm1 1.463 ppm2 8.423 CV 1
ASSI { 1274}
(( segid " " and resid 72 and name HG3 ))
(( segid " " and resid 72 and name HB3 ))
6.000 4.500 0.000 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.541 ppm2 1.743 CV 1
ASSI { 1275}
(( segid " " and resid 72 and name HG3 ))
(( segid " " and resid 72 and name HB2 ))
6.000 4.500 0.000 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.541 ppm2 1.661 CV 1
ASSI { 1277}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HG2 ))
6.000 4.500 0.000 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.449 ppm2 1.467 CV 1
ASSI { 1280}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 73 and name HG3 ))
3.200 1.300 1.300 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.42223E-02 ppm1 4.449 ppm2 1.960 CV 1
OR { 1280}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 73 and name HG2 ))
ASSI { 1286}
(( segid " " and resid 72 and name HB2 ))
(( segid " " and resid 72 and name HB3 ))
6.000 4.500 0.000 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.664 ppm2 1.738 CV 1
ASSI { 1288}
(( segid " " and resid 72 and name HB2 ))
(( segid " " and resid 72 and name HA ))
2.400 0.700 0.700 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.71492E-02 ppm1 1.664 ppm2 4.457 CV 1
ASSI { 1289}
(( segid " " and resid 72 and name HB2 ))
(( segid " " and resid 74 and name HN ))
3.100 3.100 2.900 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.37243E-02 ppm1 1.664 ppm2 8.398 CV 1
ASSI { 1294}
(( segid " " and resid 73 and name HB3 ))
(( segid " " and resid 74 and name HG2 ))
6.000 4.500 0.000 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.735 ppm2 1.789 CV 1
ASSI { 1297}
(( segid " " and resid 72 and name HB3 ))
(( segid " " and resid 31 and name HB3 ))
2.700 2.700 3.300 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.96795E-02 ppm1 1.735 ppm2 2.343 CV 1
ASSI { 1299}
(( segid " " and resid 72 and name HB3 ))
(( segid " " and resid 52 and name HB ))
1.900 1.900 4.100 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.44813E-01 ppm1 1.735 ppm2 4.199 CV 1
ASSI { 1303}
(( segid " " and resid 73 and name HB2 ))
(( segid " " and resid 73 and name HB3 ))
6.000 4.500 0.000 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.510 ppm2 1.737 CV 1
ASSI { 1305}
(( segid " " and resid 73 and name HB2 ))
(( segid " " and resid 73 and name HA ))
4.100 2.100 1.900 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.31270E-03 ppm1 1.510 ppm2 4.271 CV 1
ASSI { 1306}
(( segid " " and resid 73 and name HG3 ))
(( segid " " and resid 73 and name HA ))
3.800 1.800 1.800 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.14200E-02 ppm1 1.978 ppm2 4.265 CV 1
OR { 1306}
(( segid " " and resid 73 and name HG2 ))
(( segid " " and resid 73 and name HA ))
ASSI { 1307}
(( segid " " and resid 73 and name HG2 ))
(( segid " " and resid 73 and name HB2 ))
2.700 0.900 0.900 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.46604E-02 ppm1 1.978 ppm2 1.513 CV 1
OR { 1307}
(( segid " " and resid 73 and name HG3 ))
(( segid " " and resid 73 and name HB2 ))
ASSI { 1308}
(( segid " " and resid 73 and name HG2 ))
(( segid " " and resid 73 and name HB3 ))
2.900 1.000 1.000 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.25094E-02 ppm1 1.977 ppm2 1.743 CV 1
OR { 1308}
(( segid " " and resid 73 and name HG3 ))
(( segid " " and resid 73 and name HB3 ))
ASSI { 1318}
(( segid " " and resid 72 and name HB3 ))
(( segid " " and resid 72 and name HA ))
2.600 0.900 0.900 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.45609E-02 ppm1 1.745 ppm2 4.448 CV 1
ASSI { 1319}
(( segid " " and resid 72 and name HB3 ))
(( segid " " and resid 70 and name HA ))
1.900 1.900 4.100 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.15394E-01 ppm1 1.745 ppm2 4.245 CV 1
ASSI { 1324}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HB3 ))
5.700 4.100 0.300 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.33061E-04 ppm1 4.284 ppm2 1.733 CV 1
ASSI { 1332}
(( segid " " and resid 74 and name HB3 ))
(( segid " " and resid 74 and name HG2 ))
6.000 4.500 0.000 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.665 ppm2 1.789 CV 1
OR { 1332}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 74 and name HG2 ))
ASSI { 1333}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 74 and name HG3 ))
6.000 4.500 0.000 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.665 ppm2 1.879 CV 1
OR { 1333}
(( segid " " and resid 74 and name HB3 ))
(( segid " " and resid 74 and name HG3 ))
ASSI { 1337}
(( segid " " and resid 74 and name HG3 ))
(( segid " " and resid 74 and name HG2 ))
6.000 4.500 0.000 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.867 ppm2 1.789 CV 1
ASSI { 1343}
(( segid " " and resid 74 and name HG3 ))
(( segid " " and resid 74 and name HA ))
3.700 1.700 1.700 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.13822E-02 ppm1 1.867 ppm2 4.735 CV 1
ASSI { 1344}
(( segid " " and resid 74 and name HB3 ))
(( segid " " and resid 74 and name HA ))
4.500 2.500 1.500 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.17446E-03 ppm1 1.665 ppm2 4.744 CV 1
OR { 1344}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 74 and name HA ))
ASSI { 1346}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 75 and name HN ))
2.300 0.700 0.700 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.99990E-02 ppm1 1.665 ppm2 8.996 CV 1
OR { 1346}
(( segid " " and resid 74 and name HB3 ))
(( segid " " and resid 75 and name HN ))
ASSI { 1351}
(( segid " " and resid 75 and name HB3 ))
(( segid " " and resid 75 and name HN ))
3.100 1.200 1.200 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.20912E-02 ppm1 2.890 ppm2 9.011 CV 1
OR { 1351}
(( segid " " and resid 75 and name HB2 ))
(( segid " " and resid 75 and name HN ))
ASSI { 1354}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 76 and name HN ))
6.000 4.500 0.000 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.712 ppm2 9.011 CV 1
ASSI { 1356}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 19 and name HN ))
6.000 4.500 0.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.712 ppm2 10.072 CV 1
ASSI { 1361}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 75 and name HB3 ))
6.000 4.500 0.000 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.712 ppm2 2.887 CV 1
OR { 1361}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 75 and name HB2 ))
ASSI { 1363}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 18 and name HB3 ))
2.900 1.100 1.100 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.26290E-02 ppm1 4.712 ppm2 2.234 CV 1
ASSI { 1365}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 74 and name HB2 ))
6.000 4.500 0.000 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.712 ppm2 1.663 CV 1
ASSI { 1366}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 74 and name HG2 ))
6.000 4.500 0.000 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.712 ppm2 1.800 CV 1
ASSI { 1368}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HB3 ))
2.400 0.700 0.700 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.78271E-02 ppm1 5.338 ppm2 2.887 CV 1
OR { 1368}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HB2 ))
ASSI { 1373}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 77 and name HN ))
2.700 0.900 0.900 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.30671E-02 ppm1 5.338 ppm2 8.754 CV 1
ASSI { 1374}
( segid " " and resid 77 and name HB% )
(( segid " " and resid 77 and name HA ))
5.000 3.100 1.000 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.93601E-04 ppm1 1.326 ppm2 4.889 CV 1
ASSI { 1376}
( segid " " and resid 77 and name HB% )
(( segid " " and resid 16 and name HA ))
6.000 6.000 0.000 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.23900E-04 ppm1 1.326 ppm2 5.236 CV 1
ASSI { 1380}
( segid " " and resid 77 and name HB% )
( segid " " and resid 49 and name HD1%)
2.600 2.600 3.400 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.26687E-02 ppm1 1.326 ppm2 0.653 CV 1
ASSI { 1381}
( segid " " and resid 77 and name HB% )
(( segid " " and resid 17 and name HB2 ))
6.000 4.500 0.000 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.326 ppm2 1.680 CV 1
ASSI { 1386}
(( segid " " and resid 78 and name HB2 ))
(( segid " " and resid 78 and name HB3 ))
2.400 0.700 0.700 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.26290E-02 ppm1 1.472 ppm2 1.619 CV 1
ASSI { 1389}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 78 and name HB2 ))
6.000 4.500 0.000 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.499 ppm2 1.453 CV 1
ASSI { 1390}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 78 and name HB3 ))
6.000 4.500 0.000 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.499 ppm2 1.626 CV 1
ASSI { 1393}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 79 and name HN ))
2.100 0.600 0.600 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.12429E-01 ppm1 4.499 ppm2 7.650 CV 1
ASSI { 1396}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 77 and name HN ))
5.100 3.200 0.900 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.12269E-03 ppm1 4.499 ppm2 8.761 CV 1
ASSI { 1426}
( segid " " and resid 7 and name HG2%)
( segid " " and resid 19 and name HB% )
6.000 4.500 0.000 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.784 ppm2 1.412 CV 1
ASSI { 1451}
( segid " " and resid 78 and name HD1%)
( segid " " and resid 78 and name HD2%)
6.000 4.500 0.000 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.910 ppm2 0.958 CV 1
ASSI { 1453}
(( segid " " and resid 78 and name HB2 ))
( segid " " and resid 78 and name HD1%)
1.600 0.300 0.600 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.70712E-01 ppm1 1.472 ppm2 0.910 CV 1
ASSI { 1454}
(( segid " " and resid 78 and name HB2 ))
( segid " " and resid 78 and name HD2%)
1.900 0.500 0.500 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.42820E-01 ppm1 1.472 ppm2 0.953 CV 1
ASSI { 1456}
(( segid " " and resid 78 and name HB3 ))
( segid " " and resid 78 and name HD2%)
1.900 0.500 0.500 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.34058E-01 ppm1 1.618 ppm2 0.953 CV 1
ASSI { 1457}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 78 and name HD1%)
6.000 6.000 0.000 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.19458E-05 ppm1 4.499 ppm2 0.907 CV 1
ASSI { 1458}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 78 and name HD2%)
6.000 6.000 0.000 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.47400E-06 ppm1 4.499 ppm2 0.954 CV 1
ASSI { 1460}
(( segid " " and resid 78 and name HB3 ))
( segid " " and resid 46 and name HG2%)
3.000 1.100 1.100 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.44414E-02 ppm1 1.618 ppm2 0.843 CV 1
ASSI { 1461}
(( segid " " and resid 78 and name HB2 ))
( segid " " and resid 46 and name HG2%)
6.000 6.000 0.000 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.62536E-05 ppm1 1.472 ppm2 0.843 CV 1
ASSI { 1462}
( segid " " and resid 78 and name HD1%)
( segid " " and resid 46 and name HG2%)
6.000 4.500 0.000 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.910 ppm2 0.844 CV 1
ASSI { 1463}
(( segid " " and resid 78 and name HG ))
(( segid " " and resid 78 and name HA ))
2.800 1.000 1.000 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.20714E-02 ppm1 1.425 ppm2 4.514 CV 1
ASSI { 1464}
(( segid " " and resid 78 and name HG ))
(( segid " " and resid 77 and name HA ))
5.700 4.000 0.300 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.16869E-03 ppm1 1.425 ppm2 4.884 CV 1
ASSI { 1466}
(( segid " " and resid 78 and name HG ))
(( segid " " and resid 78 and name HB3 ))
6.000 4.500 0.000 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.425 ppm2 1.625 CV 1
ASSI { 1467}
(( segid " " and resid 78 and name HG ))
(( segid " " and resid 78 and name HB2 ))
6.000 4.500 0.000 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.425 ppm2 1.455 CV 1
ASSI { 1471}
( segid " " and resid 78 and name HD2%)
(( segid " " and resid 11 and name HB2 ))
5.200 3.400 0.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.42223E-04 ppm1 0.954 ppm2 1.281 CV 1
ASSI { 1474}
( segid " " and resid 78 and name HD2%)
(( segid " " and resid 79 and name HN ))
6.000 4.500 0.000 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.955 ppm2 7.659 CV 1
ASSI { 1479}
( segid " " and resid 78 and name HD1%)
(( segid " " and resid 15 and name HA1 ))
2.500 0.800 0.800 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.55368E-02 ppm1 0.910 ppm2 3.609 CV 1
ASSI { 1481}
( segid " " and resid 78 and name HD1%)
(( segid " " and resid 78 and name HB3 ))
6.000 4.500 0.000 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.910 ppm2 1.622 CV 1
ASSI { 1483}
( segid " " and resid 78 and name HD1%)
(( segid " " and resid 11 and name HG ))
6.000 4.500 0.000 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.910 ppm2 1.796 CV 1
ASSI { 1484}
( segid " " and resid 78 and name HD1%)
(( segid " " and resid 11 and name HB3 ))
6.000 4.500 0.000 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.910 ppm2 1.936 CV 1
ASSI { 1495}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 40 and name HG2 ))
3.800 1.800 1.800 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.22506E-02 ppm1 4.513 ppm2 2.132 CV 1
ASSI { 1498}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB3 ))
6.000 4.500 0.000 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.513 ppm2 1.915 CV 1
ASSI { 1499}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB2 ))
6.000 4.500 0.000 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.513 ppm2 1.701 CV 1
ASSI { 1500}
(( segid " " and resid 45 and name HA ))
( segid " " and resid 46 and name HG2%)
2.900 1.000 1.000 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.45211E-02 ppm1 4.512 ppm2 0.847 CV 1
ASSI { 1504}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HB3 ))
2.500 0.800 0.800 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.20315E-02 ppm1 1.714 ppm2 1.902 CV 1
ASSI { 1509}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HG3 ))
3.300 1.300 1.300 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.14222E-02 ppm1 4.197 ppm2 2.115 CV 1
ASSI { 1511}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HG3 ))
6.000 4.500 0.000 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.433 ppm2 2.114 CV 1
ASSI { 1514}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HA ))
2.000 0.500 0.500 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.14738E-01 ppm1 2.433 ppm2 4.214 CV 1
ASSI { 1516}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 31 and name HD3 ))
3.200 1.300 1.300 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.68906E-02 ppm1 2.433 ppm2 3.743 CV 1
ASSI { 1519}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HB3 ))
6.000 4.500 0.000 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.879 ppm2 2.445 CV 1
ASSI { 1521}
(( segid " " and resid 8 and name HG2 ))
(( segid " " and resid 8 and name HG3 ))
6.000 4.500 0.000 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.441 ppm2 1.787 CV 1
ASSI { 1526}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 8 and name HG3 ))
6.000 4.500 0.000 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.187 ppm2 1.814 CV 1
OR { 1526}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 8 and name HB2 ))
ASSI { 1528}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 4 and name HB3 ))
6.000 4.500 0.000 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.027 ppm2 1.736 CV 1
ASSI { 1530}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 6 and name HB3 ))
6.000 4.500 0.000 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.027 ppm2 2.267 CV 1
ASSI { 1531}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 9 and name HB2 ))
6.000 4.500 0.000 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.027 ppm2 2.571 CV 1
ASSI { 1545}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 49 and name HB ))
6.000 4.500 0.000 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.665 ppm2 1.620 CV 1
OR { 1545}
(( segid " " and resid 74 and name HB3 ))
(( segid " " and resid 49 and name HB ))
ASSI { 1547}
( segid " " and resid 77 and name HB% )
( segid " " and resid 47 and name HG1%)
5.400 3.600 0.600 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.84058E-04 ppm1 1.326 ppm2 0.757 CV 1
ASSI { 1551}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 39 and name HB3 ))
4.000 2.000 2.000 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.40232E-03 ppm1 3.912 ppm2 1.961 CV 1
OR { 1551}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 39 and name HB2 ))
ASSI { 1553}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB2 ))
5.400 3.600 0.600 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.71300E-04 ppm1 3.912 ppm2 1.738 CV 1
ASSI { 1555}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 4 and name HA ))
6.000 4.500 0.000 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.912 ppm2 3.967 CV 1
ASSI { 1556}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HN ))
2.200 0.600 0.600 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.13941E-01 ppm1 3.912 ppm2 7.738 CV 1
ASSI { 1557}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HG3 ))
6.000 4.500 0.000 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.912 ppm2 2.687 CV 1
ASSI { 1560}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 4 and name HB3 ))
5.500 3.800 0.500 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.24496E-03 ppm1 3.957 ppm2 1.744 CV 1
ASSI { 1561}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 4 and name HG ))
3.100 3.100 2.900 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.96398E-03 ppm1 3.957 ppm2 1.784 CV 1
ASSI { 1563}
(( segid " " and resid 36 and name HG3 ))
(( segid " " and resid 36 and name HB2 ))
2.700 0.900 0.900 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.41426E-02 ppm1 2.689 ppm2 1.744 CV 1
ASSI { 1565}
(( segid " " and resid 4 and name HB2 ))
( segid " " and resid 4 and name HD1%)
4.800 2.900 1.200 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.99990E-04 ppm1 1.549 ppm2 0.825 CV 1
ASSI { 1566}
(( segid " " and resid 4 and name HB2 ))
( segid " " and resid 4 and name HD2%)
2.200 0.600 0.600 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.19637E-01 ppm1 1.549 ppm2 0.885 CV 1
ASSI { 1567}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HG ))
3.500 1.500 1.500 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.14261E-02 ppm1 1.549 ppm2 1.784 CV 1
ASSI { 1568}
( segid " " and resid 4 and name HD1%)
( segid " " and resid 4 and name HD2%)
6.000 4.500 0.000 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.833 ppm2 0.882 CV 1
ASSI { 1570}
( segid " " and resid 4 and name HD2%)
(( segid " " and resid 36 and name HA ))
6.000 4.500 0.000 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.891 ppm2 3.916 CV 1
ASSI { 1571}
(( segid " " and resid 4 and name HG ))
(( segid " " and resid 4 and name HB3 ))
6.000 4.500 0.000 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.779 ppm2 1.746 CV 1
ASSI { 1575}
( segid " " and resid 33 and name HD1%)
( segid " " and resid 32 and name HD1%)
3.300 1.300 1.300 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.16491E-02 ppm1 0.432 ppm2 0.813 CV 1
ASSI { 1580}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 8 and name HB3 ))
4.000 2.000 2.000 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.58555E-03 ppm1 4.021 ppm2 2.034 CV 1
ASSI { 1581}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB2 ))
3.000 1.100 1.100 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.44215E-02 ppm1 4.021 ppm2 1.923 CV 1
ASSI { 1582}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 5 and name HB3 ))
2.100 2.100 3.900 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.35850E-01 ppm1 4.021 ppm2 1.983 CV 1
OR { 1582}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 5 and name HB2 ))
ASSI { 1584}
( segid " " and resid 7 and name HG1%)
( segid " " and resid 11 and name HD2%)
3.900 1.900 1.900 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.63332E-03 ppm1 0.639 ppm2 0.880 CV 1
ASSI { 1585}
( segid " " and resid 7 and name HG1%)
( segid " " and resid 22 and name HD1%)
6.000 5.300 0.000 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.33061E-04 ppm1 0.639 ppm2 0.733 CV 1
ASSI { 1587}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 36 and name HB3 ))
6.000 4.500 0.000 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.798 ppm2 2.167 CV 1
ASSI { 1590}
( segid " " and resid 37 and name HD2%)
(( segid " " and resid 48 and name HB3 ))
6.000 5.800 0.000 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.40631E-04 ppm1 0.032 ppm2 0.870 CV 1
ASSI { 1592}
(( segid " " and resid 22 and name HB2 ))
( segid " " and resid 7 and name HG2%)
3.300 3.300 2.700 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.22904E-02 ppm1 1.234 ppm2 0.814 CV 1
ASSI { 1593}
( segid " " and resid 22 and name HD1%)
( segid " " and resid 7 and name HG2%)
3.300 1.400 1.400 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.15714E-02 ppm1 0.722 ppm2 0.807 CV 1
ASSI { 1594}
(( segid " " and resid 22 and name HG ))
( segid " " and resid 7 and name HG2%)
2.800 2.800 3.200 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.85235E-02 ppm1 1.528 ppm2 0.809 CV 1
ASSI { 1599}
(( segid " " and resid 79 and name HB2 ))
( segid " " and resid 46 and name HG1%)
3.400 1.400 1.400 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.18981E-02 ppm1 1.211 ppm2 0.806 CV 1
ASSI { 1601}
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 79 and name HB3 ))
2.600 0.900 0.900 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.20714E-02 ppm1 1.211 ppm2 1.722 CV 1
ASSI { 1602}
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 79 and name HD2 ))
3.800 1.800 1.800 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.89825E-03 ppm1 1.211 ppm2 3.036 CV 1
OR { 1602}
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 79 and name HD3 ))
ASSI { 1603}
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 79 and name HA ))
3.900 1.900 1.900 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.75077E-03 ppm1 1.211 ppm2 4.182 CV 1
ASSI { 1604}
(( segid " " and resid 79 and name HD3 ))
(( segid " " and resid 79 and name HG3 ))
2.000 0.500 0.500 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.28679E-01 ppm1 3.030 ppm2 1.418 CV 1
OR { 1604}
(( segid " " and resid 79 and name HD2 ))
(( segid " " and resid 79 and name HG2 ))
OR { 1604}
(( segid " " and resid 79 and name HD3 ))
(( segid " " and resid 79 and name HG2 ))
OR { 1604}
(( segid " " and resid 79 and name HD2 ))
(( segid " " and resid 79 and name HG3 ))
ASSI { 1605}
(( segid " " and resid 79 and name HD3 ))
( segid " " and resid 46 and name HG1%)
6.000 4.500 0.000 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.030 ppm2 0.810 CV 1
ASSI { 1608}
(( segid " " and resid 79 and name HG2 ))
(( segid " " and resid 79 and name HA ))
3.600 1.600 1.600 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.12767E-02 ppm1 1.417 ppm2 4.186 CV 1
OR { 1608}
(( segid " " and resid 79 and name HG3 ))
(( segid " " and resid 79 and name HA ))
ASSI { 1609}
(( segid " " and resid 79 and name HG2 ))
(( segid " " and resid 79 and name HB3 ))
6.000 4.500 0.000 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.417 ppm2 1.722 CV 1
OR { 1609}
(( segid " " and resid 79 and name HG3 ))
(( segid " " and resid 79 and name HB3 ))
ASSI { 1612}
(( segid " " and resid 79 and name HG3 ))
(( segid " " and resid 79 and name HB2 ))
2.900 1.000 1.000 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.31469E-02 ppm1 1.417 ppm2 1.211 CV 1
OR { 1612}
(( segid " " and resid 79 and name HG2 ))
(( segid " " and resid 79 and name HB2 ))
ASSI { 1613}
(( segid " " and resid 79 and name HG3 ))
( segid " " and resid 46 and name HG1%)
6.000 6.000 0.000 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.10755E-04 ppm1 1.417 ppm2 0.803 CV 1
ASSI { 1614}
(( segid " " and resid 79 and name HG2 ))
( segid " " and resid 46 and name HG2%)
1.800 1.800 4.200 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.23303E-01 ppm1 1.417 ppm2 0.843 CV 1
OR { 1614}
(( segid " " and resid 79 and name HG3 ))
( segid " " and resid 46 and name HG2%)
ASSI { 1615}
(( segid " " and resid 79 and name HG2 ))
(( segid " " and resid 79 and name HN ))
4.200 2.200 1.800 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.34454E-03 ppm1 1.417 ppm2 7.646 CV 1
OR { 1615}
(( segid " " and resid 79 and name HG3 ))
(( segid " " and resid 79 and name HN ))
ASSI { 1624}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 73 and name HG2 ))
6.000 4.500 0.000 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.737 ppm2 1.984 CV 1
OR { 1624}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 73 and name HG3 ))
ASSI { 1625}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 17 and name HB2 ))
6.000 4.500 0.000 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.737 ppm2 1.676 CV 1
ASSI { 1626}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HG2 ))
6.000 4.500 0.000 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.737 ppm2 1.302 CV 1