Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr27066_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: 84, Sequence coverage: 96.4%

     --------10--------20--------30--------40--------50--------60--------70--------80----
     GAMGMDGVSSEANEENDNIERPVRRRHXXILKPPRSPLQDLRGGNETVQESNALRNKKNXRRVXFADTIKVFQTESHMKIVRKS
      ||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||| |||||||
     .AMGMDGVSSEANEENDNIERPVRRRHXXILK.PRSPLQDLRGGNETVQESNALRNKKNXRRVXFADTIKVFQTES.MKIVRKS
     

   • Total number of assignments
     • ¹H chemical shifts: 78
     • ¹³C chemical shifts: 233
     • ¹⁵N chemical shifts: 78
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	518	78	15.1
         13C chemical shifts	358	233	65.1
         15N chemical shifts	100	78	78.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	169	78	46.2
         13C chemical shifts	164	81	49.4
         15N chemical shifts	80	78	97.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	349	0	0.0
         13C chemical shifts	194	152	78.4
         15N chemical shifts	20	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	38	0	0.0
         13C chemical shifts	38	34	89.5

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	14	0	0.0
         13C chemical shifts	14	0	0.0

   • Peptide bond of PRO
     • 1:22:PRO, CB: 31.763 ppm, CG: 27.159 ppm
       • Peptide_bond (pred. by CS): trans
     • 1:37:PRO, CB: 31.885 ppm, CG: 27.315 ppm
       • Peptide_bond (pred. by CS): trans
   • Rotameric state of ILE , LEU, and VAL
     • 1:8:VAL, CG1: 20.191 ppm, CG2: 20.191 ppm
       • Rotameric_state (pred. by CS): gauche+ 51.6%, trans 19.8%, gauche- 28.7%
       • Rotameric_state (coordinates): unknown
     • 1:23:VAL, CG1: 20.628 ppm, CG2: 20.628 ppm
       • Rotameric_state (pred. by CS): gauche+ 46.8%, trans 25.2%, gauche- 28.0%
       • Rotameric_state (coordinates): unknown
     • 1:30:ILE, CD1: 12.761 ppm
       • Rotameric_state (pred. by CS): gauche+ 3.0%, trans 60.0%, gauche- 37.1%
       • Rotameric_state (coordinates): unknown
     • 1:31:LEU, CD1: 24.222 ppm, CD2: 24.222 ppm
       • Rotameric_state (pred. by CS): gauche+ 50.0%, trans 50.0%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:38:LEU, CD1: 24.222 ppm, CD2: 24.222 ppm
       • Rotameric_state (pred. by CS): gauche+ 50.0%, trans 50.0%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:41:LEU, CD1: 24.69 ppm, CD2: 24.69 ppm
       • Rotameric_state (pred. by CS): gauche+ 50.0%, trans 50.0%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:48:VAL, CG1: 20.708 ppm, CG2: 20.708 ppm
       • Rotameric_state (pred. by CS): gauche+ 45.9%, trans 26.3%, gauche- 27.8%
       • Rotameric_state (coordinates): unknown
     • 1:54:LEU, CD1: 24.222 ppm, CD2: 23.555 ppm
       • Rotameric_state (pred. by CS): gauche+ 43.3%, trans 56.7%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:63:VAL, CG1: 20.58 ppm, CG2: 20.58 ppm
       • Rotameric_state (pred. by CS): gauche+ 47.3%, trans 24.6%, gauche- 28.1%
       • Rotameric_state (coordinates): unknown
     • 1:69:ILE, CD1: 12.521 ppm
       • Rotameric_state (pred. by CS): gauche+ 2.8%, trans 55.8%, gauche- 41.4%
       • Rotameric_state (coordinates): unknown
     • 1:71:VAL, CG1: 20.402 ppm, CG2: 20.402 ppm
       • Rotameric_state (pred. by CS): gauche+ 49.3%, trans 22.3%, gauche- 28.4%
       • Rotameric_state (coordinates): unknown
     • 1:80:ILE, CD1: 12.146 ppm
       • Rotameric_state (pred. by CS): gauche+ 2.4%, trans 49.3%, gauche- 48.3%
       • Rotameric_state (coordinates): unknown
     • 1:81:VAL, CG1: 20.476 ppm, CG2: 20.914 ppm
       • Rotameric_state (pred. by CS): gauche+ 49.4%, trans 27.1%, gauche- 23.5%
       • Rotameric_state (coordinates): unknown
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1