Properties

Disulfide bonds

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

Non-standard residues

Content subtype: bmr15582_3.str

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 15, Sequence coverage: 100.0%

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     TRGLLGCIITSLTGR
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     TRGLLGCIITSLTGR
     

   • Total number of assignments
     • ¹H chemical shifts: 104
     • ¹³C chemical shifts: 44
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	82	78	95.1
         13C chemical shifts	64	44	68.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	33	32	97.0
         13C chemical shifts	30	14	46.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	49	46	93.9
         13C chemical shifts	34	30	88.2

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	13	100.0
         13C chemical shifts	13	13	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)

   • Redox state of CYS
     • 1:7:CYS, CA: 62.4 ppm, CB: 26.53 ppm
       • Redox_state (pred. by CS): reduced
   • Rotameric state of ILE , LEU, and VAL
     • 1:4:LEU, CD1: 24.44 ppm, CD2: 24.6 ppm
       • Rotameric_state (pred. by CS): gauche+ 51.6%, trans 48.4%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:5:LEU, CD1: 24.361 ppm, CD2: 24.334 ppm
       • Rotameric_state (pred. by CS): gauche+ 49.7%, trans 50.3%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:8:ILE, CD1: 13.58 ppm
       • Rotameric_state (pred. by CS): gauche+ 3.7%, trans 74.2%, gauche- 22.2%
       • Rotameric_state (coordinates): unknown
     • 1:9:ILE, CD1: 12.9 ppm
       • Rotameric_state (pred. by CS): gauche+ 3.1%, trans 62.4%, gauche- 34.5%
       • Rotameric_state (coordinates): unknown
     • 1:12:LEU, CD1: 23.11 ppm, CD2: 25.82 ppm
       • Rotameric_state (pred. by CS): gauche+ 77.1%, trans 22.9%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1