Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr497_3.str

Assigned chemical shifts

1. Saveframe: chemical_shift_assignment_data_set_one
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 143, Sequence coverage: 64.3%

     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     ATSTKKLHKEPATLIKAIDGDTVKLMYKGQPMTFRLLLVDTPETKHPKKGVEKYGPEASAFTKKMVENAKKIEVEFDKGQRTDKYGRGLAYIYADGKMVN
            |||||||||||   | ||||||||||||   | || | |   |   ||| ||||||||   |||||||| || ||  |||| ||||| |||| 
     .......HKEPATLIKAI...T.KLMYKGQPMTFR...V.TP.T.H...G...YGP.ASAFTKKM...AKKIEVEF.KG.RT..YGRG.AYIYA.GKMV.
     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     
     -------110-------120-------130-------140---
     EALVRQGLAKVAYVYKPNNTHEQLLRKSEAQAKKEKLNIWSED
     ||| | | ||||||||  |||    ||  | ||| |  |||  
     EAL.R.G.AKVAYVYK..NTH....RK..A.AKK.K..IWS  
     -------110-------120-------130-------140-  
     

   • Total number of assignments
     • ¹³C chemical shifts: 163
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	669	163	24.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	286	88	30.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	383	75	19.6

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	79	40	50.6

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	54	0	0.0

   • Rotameric state of ILE , LEU, and VAL
     • 1:15:ILE, CD1: 12.7 ppm
       • Rotameric_state (pred. by CS): gauche+ 2.9%, trans 58.9%, gauche- 38.2%
       • Rotameric_state (coordinates): unknown
     • 1:18:ILE, CD1: 11.7 ppm
       • Rotameric_state (pred. by CS): gauche+ 2.1%, trans 41.6%, gauche- 56.4%
       • Rotameric_state (coordinates): unknown
     • 1:72:ILE, CD1: 11.4 ppm
       • Rotameric_state (pred. by CS): gauche+ 1.8%, trans 36.4%, gauche- 61.8%
       • Rotameric_state (coordinates): unknown
     • 1:74:VAL, CG1: 18.8 ppm, CG2: 20.1 ppm
       • Rotameric_state (pred. by CS): gauche+ 69.8%, trans 13.5%, gauche- 16.7%
       • Rotameric_state (coordinates): unknown
     • 1:92:ILE, CD1: 10.7 ppm
       • Rotameric_state (pred. by CS): gauche+ 1.2%, trans 24.3%, gauche- 74.5%
       • Rotameric_state (coordinates): unknown
     • 1:99:VAL, CG1: 20.3 ppm, CG2: 21.2 ppm
       • Rotameric_state (pred. by CS): gauche+ 52.0%, trans 28.7%, gauche- 19.3%
       • Rotameric_state (coordinates): unknown
     • 1:114:VAL, CG1: 17.7 ppm, CG2: 18.6 ppm
       • Rotameric_state (pred. by CS): gauche+ 76.2%, trans 5.5%, gauche- 18.3%
       • Rotameric_state (coordinates): unknown
     • 1:139:ILE, CD1: 11.8 ppm
       • Rotameric_state (pred. by CS): gauche+ 2.1%, trans 43.3%, gauche- 54.5%
       • Rotameric_state (coordinates): unknown
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1