Hi Richard,
Many thanks for your e-mail. The duplication of residues in the chemical shift
table was indeed caused by presence of multiple "Spin Systems" for each residue.
I could fix the problem by merging the multiple spin systems present for the
residues.
with best wishes,
Aswani Kumar K
> Hi Aswani
>
> You have most likely got multiple 'Spin Systems' for each residue.
> Go to Resonances -> Spin Systems, then sort by residue column and if there
> are multiple spin systems for each residue select both rows and click
> Merge. Then when you look at the table it should be just one row per
> residue. (Be warned the Table doesn't update immediately you may need to
> close it down and re-open it)
>
> Richard
>
>> Hello Analysis Users,
>> I have noticed that the amino acid residues are duplicated in the chemical
>> shift
>> table of one of my Analysis Projects. This project mainly has homonuclear
>> (H,H)
>> 2D experiments and a few heteronuclear 2D experiments.
>>
>> The Project has one Molecular System and one Chain.
>>
>> I have pasted below, a part of the text file obtained by exporting the
>> chemical
>> shift table. One would notice that the residues 2,5,6,7,8 and 9 are all
>> repeated
>> in the table. Most of the other residues (not pasted below) are also
>> repeated in
>> the table.
>>
>> *****************************************************************************************
>> 2 Ser - - - -
>> 2 Ser 8.69 115.89 - 58.39 4.51:Ha 3.85:Hba
>> 3.85:Hbb
>> 63.85:Cb
>> 3 Gly 8.56 111.22 - 45.40 3.97:Haa 3.97:Hab
>> 4 Gly - - - -
>> 5 Gly 8.31 108.99 - 45.26 3.96:Haa 3.96:Hab
>> 5 Gly - - - -
>> 6 Ser 8.23 115.68 - 58.47 4.41:Ha 3.84:Hba
>> 3.84:Hbb
>> 63.82:Cb
>> 6 Ser - - - -
>> 7 Met - - - -
>> 7 Met 8.45 121.41 - 53.18 4.48:Ha 1.97:Hba
>> 2.10:Hbb
>> 2.48:Hga 2.57:Hgb32.46:Cb 32.11:Cg
>> 8 Asp - - - -
>> 8 Asp 8.20 120.33 - 54.05 4.58:Ha 2.65:Hba
>> 2.72:Hbb
>> 39.84:Cb
>> 9 Gly - - - -
>> 9 Gly 8.24 109.28 - 45.37 3.90:Haa 3.90:Hab
>>
>> ***********************************************************************************************
>> Could anyone suggest what might be the problem causing duplication of the
>> residues?
>>
>> Thanking you,
>>
>>
>> Aswani Kumar K
>> Graduate Student
>> Molecular Biophysics Unit
>> Indian Institute of Science
>> Bangalore, India.
>>
>>
>>
>>
>>
>>
>>
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