Properties

Disulfide bonds

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

Non-standard residues

Content subtype: bmr5760_3.str

Assigned chemical shifts

1. Saveframe: shift_set_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 204, Sequence coverage: 95.6%

     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     MKHHHHHHPMATQAPTFTQPLQSVVVLEGSTATFEAHISGFPVPEVSWFRDGQVISTSTLPGVQISFSDGRAKLTIPAVTKANSGRYSLKATNGSGQATS
             ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     ........PMATQAPTFTQPLQSVVVLEGSTATFEAHISGFPVPEVSWFRDGQVISTSTLPGVQISFSDGRAKLTIPAVTKANSGRYSLKATNGSGQATS
     
     -------110-------120-------130-------140-------150-------160-------170-------180-------190-------200
     TAELLVKAETAPPNFVQRLQSMTVRQGSQVRLQVRVTGIPTPVVKFYRDGAEIQSSLDFQISQEGDLYSLLIAEAYPEDSGTYSVNATNSVGRATSTAEL
     ||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     TAELLVKAETA.PNFVQRLQSMTVRQGSQVRLQVRVTGIPTPVVKFYRDGAEIQSSLDFQISQEGDLYSLLIAEAYPEDSGTYSVNATNSVGRATSTAEL
     
     ----
     LVQG
     ||||
     LVQG
     

   • Total number of assignments
     • ¹³C chemical shifts: 374
     • ¹H chemical shifts: 179
     • ¹⁵N chemical shifts: 179
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	894	374	41.8
         1H chemical shifts	1167	179	15.3
         15N chemical shifts	222	179	80.6

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	408	195	47.8
         1H chemical shifts	411	179	43.6
         15N chemical shifts	192	179	93.2

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	486	179	36.8
         1H chemical shifts	756	0	0.0
         15N chemical shifts	30	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	125	18	14.4
         1H chemical shifts	125	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	79	0	0.0
         1H chemical shifts	80	0	0.0
         15N chemical shifts	1	0	0.0

   • Peptide bond of PRO
     • 1:9:PRO, CB: 31.462 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 5.4%, trans 94.6%
     • 1:15:PRO, CB: 31.47 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 5.4%, trans 94.6%
     • 1:20:PRO, CB: 32.324 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 22.0%, trans 78.0%
     • 1:42:PRO, CB: 33.45 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 76.0%, trans 24.0%
     • 1:44:PRO, CB: 32.324 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 22.0%, trans 78.0%
     • 1:61:PRO, CB: 31.131 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 3.1%, trans 96.9%
     • 1:77:PRO, CB: 32.058 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 14.4%, trans 85.6%
     • 1:113:PRO, CB: 31.893 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 11.0%, trans 89.0%
     • 1:140:PRO, CB: 34.974 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 99.3%, trans 0.7%
     • 1:142:PRO, CB: 36.035 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis
     • 1:177:PRO, CB: 31.595 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 6.7%, trans 93.3%
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1