data_2371 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Three-Dimensional 15N-1H-1H and 15N-13C-1H nuclear-magnetic resonance studies of HPr a central component of the phosphoenolpyruvate-dependent phosphotransferase system from Escherichia coli ; _BMRB_accession_number 2371 _BMRB_flat_file_name bmr2371.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-13 _Entry_origination BMRB _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'van Nuland' Nico A.J. . 2 'van Dijk' Alard A. . 3 Dijkstra Klaas . . 4 'van Hoesel' Frans H.J. . 5 Scheek Ruud M. . 6 Robillard G. T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 173 "13C chemical shifts" 85 "15N chemical shifts" 82 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-16 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; van Nuland, Nico A.J., van Dijk, Alard A., Dijkstra, Klaas, van Hoesel, Frans H.J., Scheek, Ruud M., Robillard, G.T., "Three-Dimensional 15N-1H-1H and 15N-13C-1H nuclear-magnetic resonance studies of HPr a central component of the phosphoenolpyruvate-dependent phosphotransferase system from Escherichia coli," Eur. J. Biochem. 203, 483-491 (1992). ; _Citation_title ; Three-Dimensional 15N-1H-1H and 15N-13C-1H nuclear-magnetic resonance studies of HPr a central component of the phosphoenolpyruvate-dependent phosphotransferase system from Escherichia coli ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'van Nuland' Nico A.J. . 2 'van Dijk' Alard A. . 3 Dijkstra Klaas . . 4 'van Hoesel' Frans H.J. . 5 Scheek Ruud M. . 6 Robillard G. T. . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_volume 203 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 483 _Page_last 491 _Year 1992 _Details . save_ ################################## # Molecular system description # ################################## save_system_phosphocarrier_protein_HPr _Saveframe_category molecular_system _Mol_system_name 'phosphocarrier protein HPr' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'phosphocarrier protein HPr' $phosphocarrier_protein_HPr stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_phosphocarrier_protein_HPr _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'phosphocarrier protein HPr' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; MFQQEVTITAPNGLHTRPAA QFVKEAKGFTSEITVTSNGK SASAKSLFKLQTLGLTQGTV VTISAEGEDEQKAVEHLVKL MAELE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PHE 3 GLN 4 GLN 5 GLU 6 VAL 7 THR 8 ILE 9 THR 10 ALA 11 PRO 12 ASN 13 GLY 14 LEU 15 HIS 16 THR 17 ARG 18 PRO 19 ALA 20 ALA 21 GLN 22 PHE 23 VAL 24 LYS 25 GLU 26 ALA 27 LYS 28 GLY 29 PHE 30 THR 31 SER 32 GLU 33 ILE 34 THR 35 VAL 36 THR 37 SER 38 ASN 39 GLY 40 LYS 41 SER 42 ALA 43 SER 44 ALA 45 LYS 46 SER 47 LEU 48 PHE 49 LYS 50 LEU 51 GLN 52 THR 53 LEU 54 GLY 55 LEU 56 THR 57 GLN 58 GLY 59 THR 60 VAL 61 VAL 62 THR 63 ILE 64 SER 65 ALA 66 GLU 67 GLY 68 GLU 69 ASP 70 GLU 71 GLN 72 LYS 73 ALA 74 VAL 75 GLU 76 HIS 77 LEU 78 VAL 79 LYS 80 LEU 81 MET 82 ALA 83 GLU 84 LEU 85 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 2060 "phosphocarrier protein HPr" 100.00 85 100.00 100.00 7.42e-52 BMRB 29 "phosphocarrier protein HPr" 100.00 85 100.00 100.00 7.42e-52 PDB 1CM2 "Structure Of His15asp Hpr After Hydrolysis Of Ringed Species." 100.00 85 98.82 98.82 1.36e-50 PDB 1CM3 "His15asp Hpr From E. Coli" 100.00 85 98.82 98.82 1.36e-50 PDB 1GGR "Complex Of Enzyme Iiaglc And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli Nmr, Restrained Regulari" 100.00 85 100.00 100.00 7.42e-52 PDB 1HDN "The High-Resolution Structure Of The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli Determined By Restra" 100.00 85 100.00 100.00 7.42e-52 PDB 1J6T "Complex Of Enzyme Iiamtl And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli Nmr, Restrained Regulari" 100.00 85 100.00 100.00 7.42e-52 PDB 1OPD "Histidine-Containing Protein (Hpr), Mutant With Ser 46 Replaced By Asp (S46d)" 100.00 85 97.65 98.82 1.43e-50 PDB 1PFH "The Phosphorylated Form Of The Histidine-Containing Phosphocarrier Protein Hpr" 100.00 85 98.82 98.82 1.86e-50 PDB 1POH "The 2.0 Angstroms Resolution Structure Of Escherichia Coli Histidine-containing Phosphocarrier Protein Hpr: A Redetermination" 100.00 85 100.00 100.00 7.42e-52 PDB 1VRC "Complex Of Enzyme Iiamannose And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli Nmr, Restrained Regu" 100.00 85 100.00 100.00 7.42e-52 PDB 2JEL "Jel42 FabHPR COMPLEX" 100.00 85 100.00 100.00 7.42e-52 PDB 2LRK "Solution Structures Of The Iia(Chitobiose)-Hpr Complex Of The N,N'- Diacetylchitobiose" 100.00 85 100.00 100.00 7.42e-52 PDB 2LRL "Solution Structures Of The Iia(Chitobiose)-Hpr Complex Of The N,N'- Diacetylchitobiose Branch Of The Escherichia Coli Phosphotr" 100.00 85 100.00 100.00 7.42e-52 PDB 2XDF "Solution Structure Of The Enzyme I Dimer Complexed With Hpr Using Residual Dipolar Couplings And Small Angle X-Ray Scattering" 100.00 85 100.00 100.00 7.42e-52 PDB 3CCD "1.0 A Structure Of Post-Succinimide His15asp Hpr" 100.00 85 97.65 98.82 5.54e-50 PDB 3EZA "Complex Of The Amino Terminal Domain Of Enzyme I And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli " 100.00 85 100.00 100.00 7.42e-52 PDB 3EZB "Complex Of The Amino Terminal Domain Of Enzyme I And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli" 100.00 85 100.00 100.00 7.42e-52 PDB 3EZE "Complex Of The Amino Terminal Domain Of Enzyme I And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli " 100.00 85 100.00 100.00 7.42e-52 PDB 4XWJ "Histidine-containing Phosphocarrier Protein (hpr) And Antisigma Factor Rsd Complex" 100.00 85 98.82 98.82 1.53e-50 DBJ BAA16289 "phosphohistidinoprotein-hexose phosphotransferase component of PTS system (Hpr) [Escherichia coli str. K12 substr. W3110]" 100.00 85 100.00 100.00 7.42e-52 DBJ BAB36710 "PTS system protein HPr [Escherichia coli O157:H7 str. Sakai]" 100.00 85 100.00 100.00 7.42e-52 DBJ BAB92987 "HPr of PTS system [Serratia marcescens]" 100.00 85 98.82 100.00 1.89e-51 DBJ BAG78230 "phosphocarrier protein HPr [Escherichia coli SE11]" 100.00 85 100.00 100.00 7.42e-52 DBJ BAH64556 "PTS family phosphohistidinoprotein-hexose phosphotransferase [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" 100.00 85 98.82 100.00 2.16e-51 EMBL CAA32865 "unnamed protein product [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 85 100.00 100.00 7.42e-52 EMBL CAA35818 "unnamed protein product [Klebsiella pneumoniae]" 100.00 85 98.82 100.00 2.16e-51 EMBL CAD07663 "phosphocarrier protein HPr [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 85 100.00 100.00 7.42e-52 EMBL CAG73805 "PTS system phosphocarrier protein [Pectobacterium atrosepticum SCRI1043]" 100.00 85 97.65 100.00 6.41e-51 EMBL CAH21953 "PTS system, phosphocarrier protein [Yersinia pseudotuberculosis IP 32953]" 100.00 85 97.65 100.00 9.91e-51 GB AAA23655 "ptsH protein [Escherichia coli]" 100.00 85 100.00 100.00 7.42e-52 GB AAA24384 "HPr protein (EC 2.7.1.68) [Escherichia coli]" 100.00 85 100.00 100.00 7.42e-52 GB AAA24438 "histidine-containing protein [Escherichia coli]" 100.00 85 100.00 100.00 7.42e-52 GB AAA24440 "HPr [Escherichia coli]" 100.00 85 100.00 100.00 7.42e-52 GB AAA27052 "ptsH protein [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 85 100.00 100.00 7.42e-52 PIR AE0810 "phosphocarrier protein HPr [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 85 100.00 100.00 7.42e-52 PRF 1107231B "protein,His containing" 100.00 85 100.00 100.00 7.42e-52 REF NP_311314 "PTS system phosphohistidinoprotein-hexose phosphotransferase Hpr [Escherichia coli O157:H7 str. Sakai]" 100.00 85 100.00 100.00 7.42e-52 REF NP_416910 "phosphohistidinoprotein-hexose phosphotransferase component of PTS system (Hpr) [Escherichia coli str. K-12 substr. MG1655]" 100.00 85 100.00 100.00 7.42e-52 REF NP_456968 "phosphocarrier protein HPr [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 85 100.00 100.00 7.42e-52 REF NP_461366 "PTS system phosphohistidinoprotein-hexose phosphotransferase Hpr [Salmonella enterica subsp. enterica serovar Typhimurium str. " 100.00 85 100.00 100.00 7.42e-52 REF NP_708270 "PTS system phosphohistidinoprotein-hexose phosphotransferase subunit Hpr [Shigella flexneri 2a str. 301]" 100.00 85 100.00 100.00 7.42e-52 SP P0AA04 "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein" 100.00 85 100.00 100.00 7.42e-52 SP P0AA05 "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein" 100.00 85 100.00 100.00 7.42e-52 SP P0AA06 "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein" 100.00 85 100.00 100.00 7.42e-52 SP P0AA07 "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein [Salmonella enterica subsp. enterica serov" 100.00 85 100.00 100.00 7.42e-52 SP P0AA08 "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein" 100.00 85 100.00 100.00 7.42e-52 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $phosphocarrier_protein_HPr 'E. coli' 562 Eubacteria . Escherichia coli HB2154 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $phosphocarrier_protein_HPr 'not available' . Escherichia coli HB2154 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . na temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio_citation_label _Correction_value_citation_label TSP C . . . 0 . . . . . $entry_citation $entry_citation DSS H . . . 0 . . . . . $entry_citation $entry_citation 'liquid ammonia' N . . . 0 . . . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'phosphocarrier protein HPr' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET CA C 54.7 . 1 2 . 1 MET HA H 4.6 . 1 3 . 2 PHE H H 8.99 . 1 4 . 2 PHE CA C 57.2 . 1 5 . 2 PHE HA H 4.8 . 1 6 . 2 PHE N N 131.5 . 1 7 . 3 GLN H H 7.73 . 1 8 . 3 GLN CA C 53.6 . 1 9 . 3 GLN HA H 5.73 . 1 10 . 3 GLN N N 125.5 . 1 11 . 4 GLN H H 8.57 . 1 12 . 4 GLN CA C 55.4 . 1 13 . 4 GLN HA H 4.4 . 1 14 . 4 GLN N N 121.9 . 1 15 . 5 GLU H H 8.33 . 1 16 . 5 GLU CA C 54.7 . 1 17 . 5 GLU HA H 5.44 . 1 18 . 5 GLU N N 124.9 . 1 19 . 6 VAL H H 9.27 . 1 20 . 6 VAL CA C 60.2 . 1 21 . 6 VAL HA H 4.54 . 1 22 . 6 VAL N N 123.4 . 1 23 . 7 THR H H 8.23 . 1 24 . 7 THR CA C 61.8 . 1 25 . 7 THR HA H 4.87 . 1 26 . 7 THR N N 124.8 . 1 27 . 8 ILE H H 8.72 . 1 28 . 8 ILE CA C 61.7 . 1 29 . 8 ILE HA H 3.95 . 1 30 . 8 ILE N N 128.9 . 1 31 . 9 THR H H 8.66 . 1 32 . 9 THR CA C 61.3 . 1 33 . 9 THR HA H 4.54 . 1 34 . 9 THR N N 122.8 . 1 35 . 10 ALA H H 7.49 . 1 36 . 10 ALA CA C 50.6 . 1 37 . 10 ALA HA H 4.55 . 1 38 . 10 ALA N N 132.3 . 1 39 . 11 PRO CA C 65.1 . 1 40 . 11 PRO HA H 4.17 . 1 41 . 12 ASN H H 8.8 . 1 42 . 12 ASN CA C 52.5 . 1 43 . 12 ASN HA H 4.91 . 1 44 . 12 ASN N N 116.9 . 1 45 . 13 GLY H H 8.03 . 1 46 . 13 GLY CA C 45 . 1 47 . 13 GLY HA2 H 3.4 . 2 48 . 13 GLY HA3 H 4.17 . 2 49 . 13 GLY N N 109.1 . 1 50 . 14 LEU H H 8.1 . 1 51 . 14 LEU CA C 53.3 . 1 52 . 14 LEU HA H 4.49 . 1 53 . 14 LEU N N 125.2 . 1 54 . 15 HIS H H 7.02 . 1 55 . 15 HIS CA C 54.7 . 1 56 . 15 HIS HA H 4.76 . 1 57 . 15 HIS N N 122.6 . 1 58 . 16 THR H H 8.13 . 1 59 . 16 THR CA C 67.6 . 1 60 . 16 THR HA H 3.76 . 1 61 . 16 THR N N 115.7 . 1 62 . 17 ARG H H 8.59 . 1 63 . 17 ARG CA C 60.9 . 1 64 . 17 ARG HA H 4.36 . 1 65 . 17 ARG N N 121.5 . 1 66 . 18 PRO CA C 64.9 . 1 67 . 18 PRO HA H 4.51 . 1 68 . 19 ALA H H 8.35 . 1 69 . 19 ALA CA C 55.3 . 1 70 . 19 ALA HA H 3.84 . 1 71 . 19 ALA N N 123.9 . 1 72 . 20 ALA H H 8.38 . 1 73 . 20 ALA CA C 55.1 . 1 74 . 20 ALA HA H 4.07 . 1 75 . 20 ALA N N 121.6 . 1 76 . 21 GLN H H 7.66 . 1 77 . 21 GLN CA C 58.4 . 1 78 . 21 GLN HA H 4.09 . 1 79 . 21 GLN N N 121.9 . 1 80 . 22 PHE H H 8.5 . 1 81 . 22 PHE CA C 61.9 . 1 82 . 22 PHE HA H 3.91 . 1 83 . 22 PHE N N 124.4 . 1 84 . 23 VAL H H 8.37 . 1 85 . 23 VAL CA C 65 . 1 86 . 23 VAL HA H 4.17 . 1 87 . 23 VAL N N 121 . 1 88 . 24 LYS H H 7.75 . 1 89 . 24 LYS CA C 59.7 . 1 90 . 24 LYS HA H 3.88 . 1 91 . 24 LYS N N 121.3 . 1 92 . 25 GLU H H 8.13 . 1 93 . 25 GLU CA C 58.7 . 1 94 . 25 GLU HA H 3.98 . 1 95 . 25 GLU N N 119.8 . 1 96 . 26 ALA H H 8.83 . 1 97 . 26 ALA CA C 55.4 . 1 98 . 26 ALA HA H 3.97 . 1 99 . 26 ALA N N 126.8 . 1 100 . 27 LYS H H 8.02 . 1 101 . 27 LYS CA C 58.7 . 1 102 . 27 LYS HA H 3.89 . 1 103 . 27 LYS N N 114.9 . 1 104 . 28 GLY H H 7.55 . 1 105 . 28 GLY CA C 45 . 1 106 . 28 GLY HA2 H 3.4 . 2 107 . 28 GLY HA3 H 3.91 . 2 108 . 28 GLY N N 107.9 . 1 109 . 29 PHE H H 7.37 . 1 110 . 29 PHE CA C 57.2 . 1 111 . 29 PHE HA H 4.73 . 1 112 . 29 PHE N N 121.7 . 1 113 . 30 THR H H 10.98 . 1 114 . 30 THR CA C 63.9 . 1 115 . 30 THR HA H 4.18 . 1 116 . 30 THR N N 121.1 . 1 117 . 31 SER H H 9.15 . 1 118 . 31 SER CA C 61.1 . 1 119 . 31 SER HA H 4.42 . 1 120 . 31 SER N N 122.3 . 1 121 . 32 GLU H H 7.87 . 1 122 . 32 GLU CA C 56 . 1 123 . 32 GLU HA H 4.45 . 1 124 . 32 GLU N N 123.7 . 1 125 . 33 ILE H H 9.1 . 1 126 . 33 ILE CA C 60.3 . 1 127 . 33 ILE HA H 5.12 . 1 128 . 33 ILE N N 131 . 1 129 . 34 THR H H 9.72 . 1 130 . 34 THR CA C 61.2 . 1 131 . 34 THR HA H 4.94 . 1 132 . 34 THR N N 127.4 . 1 133 . 35 VAL H H 9.29 . 1 134 . 35 VAL CA C 60.8 . 1 135 . 35 VAL HA H 4.86 . 1 136 . 35 VAL N N 128.4 . 1 137 . 36 THR H H 8.94 . 1 138 . 36 THR CA C 60.8 . 1 139 . 36 THR HA H 5.48 . 1 140 . 36 THR N N 124.5 . 1 141 . 37 SER H H 9.11 . 1 142 . 37 SER CA C 56.7 . 1 143 . 37 SER HA H 4.79 . 1 144 . 37 SER N N 121.3 . 1 145 . 38 ASN H H 9.82 . 1 146 . 38 ASN CA C 54.2 . 1 147 . 38 ASN HA H 4.41 . 1 148 . 38 ASN N N 129.7 . 1 149 . 39 GLY H H 8.63 . 1 150 . 39 GLY CA C 45.3 . 1 151 . 39 GLY HA2 H 3.58 . 2 152 . 39 GLY HA3 H 4.13 . 2 153 . 39 GLY N N 105.4 . 1 154 . 40 LYS H H 7.95 . 1 155 . 40 LYS CA C 54.8 . 1 156 . 40 LYS HA H 4.69 . 1 157 . 40 LYS N N 124.9 . 1 158 . 41 SER H H 8.43 . 1 159 . 41 SER CA C 56.9 . 1 160 . 41 SER HA H 5.83 . 1 161 . 41 SER N N 118.4 . 1 162 . 42 ALA H H 9.14 . 1 163 . 42 ALA CA C 50.7 . 1 164 . 42 ALA HA H 4.59 . 1 165 . 42 ALA N N 125.8 . 1 166 . 43 SER H H 8.2 . 1 167 . 43 SER CA C 57 . 1 168 . 43 SER HA H 4.83 . 1 169 . 43 SER N N 116.2 . 1 170 . 44 ALA H H 8.4 . 1 171 . 44 ALA CA C 52.6 . 1 172 . 44 ALA HA H 4.21 . 1 173 . 44 ALA N N 128.9 . 1 174 . 45 LYS H H 7.67 . 1 175 . 45 LYS CA C 55.6 . 1 176 . 45 LYS HA H 4.35 . 1 177 . 45 LYS N N 110 . 1 178 . 46 SER H H 7.2 . 1 179 . 46 SER CA C 54.9 . 1 180 . 46 SER HA H 4.83 . 1 181 . 46 SER N N 115.8 . 1 182 . 47 LEU H H 9.11 . 1 183 . 47 LEU CA C 58.4 . 1 184 . 47 LEU HA H 4.04 . 1 185 . 47 LEU N N 133.3 . 1 186 . 48 PHE H H 8.26 . 1 187 . 48 PHE CA C 60 . 1 188 . 48 PHE HA H 4.36 . 1 189 . 48 PHE N N 118.1 . 1 190 . 49 LYS H H 7.67 . 1 191 . 49 LYS CA C 57.4 . 1 192 . 49 LYS HA H 4.1 . 1 193 . 49 LYS N N 118.8 . 1 194 . 50 LEU H H 8.62 . 1 195 . 50 LEU CA C 58.4 . 1 196 . 50 LEU HA H 3.76 . 1 197 . 50 LEU N N 126.2 . 1 198 . 51 GLN H H 7.91 . 1 199 . 51 GLN CA C 58.1 . 1 200 . 51 GLN HA H 4.14 . 1 201 . 51 GLN N N 114.1 . 1 202 . 52 THR H H 7.54 . 1 203 . 52 THR CA C 63.1 . 1 204 . 52 THR HA H 4.27 . 1 205 . 52 THR N N 111.8 . 1 206 . 53 LEU H H 7.44 . 1 207 . 53 LEU CA C 54.8 . 1 208 . 53 LEU HA H 4.27 . 1 209 . 53 LEU N N 123.3 . 1 210 . 54 GLY H H 8.29 . 1 211 . 54 GLY CA C 46.6 . 1 212 . 54 GLY HA2 H 3.65 . 2 213 . 54 GLY HA3 H 3.97 . 2 214 . 54 GLY N N 110.3 . 1 215 . 55 LEU H H 8.45 . 1 216 . 55 LEU CA C 53.6 . 1 217 . 55 LEU HA H 4.32 . 1 218 . 55 LEU N N 127.4 . 1 219 . 56 THR H H 7.31 . 1 220 . 56 THR CA C 60.3 . 1 221 . 56 THR HA H 4.26 . 1 222 . 56 THR N N 112.9 . 1 223 . 57 GLN H H 8.84 . 1 224 . 57 GLN CA C 58.4 . 1 225 . 57 GLN HA H 3.64 . 1 226 . 57 GLN N N 124.4 . 1 227 . 58 GLY H H 9.29 . 1 228 . 58 GLY CA C 44.5 . 1 229 . 58 GLY HA2 H 3.46 . 2 230 . 58 GLY HA3 H 4.32 . 2 231 . 58 GLY N N 118 . 1 232 . 59 THR H H 7.88 . 1 233 . 59 THR CA C 64.2 . 1 234 . 59 THR HA H 4.06 . 1 235 . 59 THR N N 120.6 . 1 236 . 60 VAL H H 8.61 . 1 237 . 60 VAL CA C 62.1 . 1 238 . 60 VAL HA H 4.45 . 1 239 . 60 VAL N N 130.2 . 1 240 . 61 VAL H H 9.28 . 1 241 . 61 VAL CA C 58.9 . 1 242 . 61 VAL HA H 4.98 . 1 243 . 61 VAL N N 127.9 . 1 244 . 62 THR H H 8.88 . 1 245 . 62 THR CA C 62 . 1 246 . 62 THR HA H 4.85 . 1 247 . 62 THR N N 120.5 . 1 248 . 63 ILE H H 9.03 . 1 249 . 63 ILE CA C 60.5 . 1 250 . 63 ILE HA H 4.86 . 1 251 . 63 ILE N N 131.5 . 1 252 . 64 SER H H 9.09 . 1 253 . 64 SER CA C 55.7 . 1 254 . 64 SER HA H 5.61 . 1 255 . 64 SER N N 123.4 . 1 256 . 65 ALA H H 9.18 . 1 257 . 65 ALA CA C 50.1 . 1 258 . 65 ALA HA H 5.68 . 1 259 . 65 ALA N N 126.3 . 1 260 . 66 GLU H H 8.34 . 1 261 . 66 GLU CA C 54 . 1 262 . 66 GLU HA H 5.36 . 1 263 . 66 GLU N N 121.2 . 1 264 . 67 GLY H H 10.17 . 1 265 . 67 GLY CA C 45.1 . 1 266 . 67 GLY HA2 H 3.95 . 2 267 . 67 GLY HA3 H 4.85 . 2 268 . 67 GLY N N 120.8 . 1 269 . 68 GLU H H 9.03 . 1 270 . 68 GLU CA C 59.1 . 1 271 . 68 GLU HA H 4.03 . 1 272 . 68 GLU N N 120.9 . 1 273 . 69 ASP H H 7.24 . 1 274 . 69 ASP CA C 50.7 . 1 275 . 69 ASP HA H 4.93 . 1 276 . 69 ASP N N 116.3 . 1 277 . 70 GLU H H 6.87 . 1 278 . 70 GLU CA C 59.3 . 1 279 . 70 GLU HA H 3.79 . 1 280 . 70 GLU N N 118.5 . 1 281 . 71 GLN H H 7.73 . 1 282 . 71 GLN CA C 58.7 . 1 283 . 71 GLN HA H 3.27 . 1 284 . 71 GLN N N 121.9 . 1 285 . 72 LYS H H 7.51 . 1 286 . 72 LYS CA C 58.4 . 1 287 . 72 LYS HA H 3.88 . 1 288 . 72 LYS N N 121.1 . 1 289 . 73 ALA H H 8.31 . 1 290 . 73 ALA CA C 53.7 . 1 291 . 73 ALA HA H 1.92 . 1 292 . 73 ALA N N 123 . 1 293 . 74 VAL H H 7.25 . 1 294 . 74 VAL CA C 67.3 . 1 295 . 74 VAL HA H 3.26 . 1 296 . 74 VAL N N 117.9 . 1 297 . 75 GLU H H 8.27 . 1 298 . 75 GLU CA C 60 . 1 299 . 75 GLU HA H 3.85 . 1 300 . 75 GLU N N 118.7 . 1 301 . 76 HIS H H 8.24 . 1 302 . 76 HIS CA C 59.7 . 1 303 . 76 HIS HA H 4.24 . 1 304 . 76 HIS N N 120.1 . 1 305 . 77 LEU H H 7.99 . 1 306 . 77 LEU CA C 57.5 . 1 307 . 77 LEU HA H 4.04 . 1 308 . 77 LEU N N 121.2 . 1 309 . 78 VAL H H 8.96 . 1 310 . 78 VAL CA C 66.8 . 1 311 . 78 VAL HA H 3.59 . 1 312 . 78 VAL N N 122 . 1 313 . 79 LYS H H 7.24 . 1 314 . 79 LYS CA C 59.3 . 1 315 . 79 LYS HA H 4.02 . 1 316 . 79 LYS N N 122.6 . 1 317 . 80 LEU H H 7.73 . 1 318 . 80 LEU CA C 57.5 . 1 319 . 80 LEU HA H 4.05 . 1 320 . 80 LEU N N 120.5 . 1 321 . 81 MET H H 8.09 . 1 322 . 81 MET CA C 58.2 . 1 323 . 81 MET HA H 4.06 . 1 324 . 81 MET N N 118.4 . 1 325 . 82 ALA H H 7.83 . 1 326 . 82 ALA CA C 53.6 . 1 327 . 82 ALA HA H 4.3 . 1 328 . 82 ALA N N 120.9 . 1 329 . 83 GLU H H 7.78 . 1 330 . 83 GLU CA C 55.7 . 1 331 . 83 GLU HA H 4.42 . 1 332 . 83 GLU N N 118.3 . 1 333 . 84 LEU H H 7.24 . 1 334 . 84 LEU CA C 55.8 . 1 335 . 84 LEU HA H 4.27 . 1 336 . 84 LEU N N 123.8 . 1 337 . 85 GLU H H 7.87 . 1 338 . 85 GLU CA C 57.4 . 1 339 . 85 GLU HA H 4.27 . 1 340 . 85 GLU N N 127.7 . 1 stop_ save_