data_2030 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Two-Dimensional 1H NMR Studies on HPr Protein from Staphylococcus aureus: Complete Sequential Assignments and Secondary Structure ; _BMRB_accession_number 2030 _BMRB_flat_file_name bmr2030.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 Kalbitzer H. R. . 2 Neidig Klaus-Peter . . 3 Hengstenberg W. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 475 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 ; Kalbitzer, H.R., Neidig, Klaus-Peter, Hengstenberg, W., "Two-Dimensional 1H NMR Studies on HPr Protein from Staphylococcus aureus: Complete Sequential Assignments and Secondary Structure," Biochemistry 30 (46), 11186-11192 (1991). ; _Citation_title ; Two-Dimensional 1H NMR Studies on HPr Protein from Staphylococcus aureus: Complete Sequential Assignments and Secondary Structure ; _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 Kalbitzer H. R. . 2 Neidig Klaus-Peter . . 3 Hengstenberg W. . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 30 _Journal_issue 46 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11186 _Page_last 11192 _Year 1991 _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 87 _Mol_residue_sequence ; MEQNSYVIIDETGIHARPAT MLVQTASKFDSDIQLEYNGK KVNLKSIMGVMSLGVGKDAE ITIYADGSDESDAIQAISDV LSKEGLT ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 GLN 4 ASN 5 SER 6 TYR 7 VAL 8 ILE 9 ILE 10 ASP 11 GLU 12 THR 13 GLY 14 ILE 15 HIS 16 ALA 17 ARG 18 PRO 19 ALA 20 THR 21 MET 22 LEU 23 VAL 24 GLN 25 THR 26 ALA 27 SER 28 LYS 29 PHE 30 ASP 31 SER 32 ASP 33 ILE 34 GLN 35 LEU 36 GLU 37 TYR 38 ASN 39 GLY 40 LYS 41 LYS 42 VAL 43 ASN 44 LEU 45 LYS 46 SER 47 ILE 48 MET 49 GLY 50 VAL 51 MET 52 SER 53 LEU 54 GLY 55 VAL 56 GLY 57 LYS 58 ASP 59 ALA 60 GLU 61 ILE 62 THR 63 ILE 64 TYR 65 ALA 66 ASP 67 GLY 68 SER 69 ASP 70 GLU 71 SER 72 ASP 73 ALA 74 ILE 75 GLN 76 ALA 77 ILE 78 SER 79 ASP 80 VAL 81 LEU 82 SER 83 LYS 84 GLU 85 GLY 86 LEU 87 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 PDB 1KA5 "Refined Solution Structure Of Histidine Containing Phosphocarrier Protein From Staphyloccocus Aureus" 98.85 88 100.00 100.00 3.25e-53 DBJ BAB42180 "phophocarrier protein HPR [Staphylococcus aureus subsp. aureus N315]" 100.00 88 100.00 100.00 4.34e-54 DBJ BAB57245 "phophocarrier protein Hpr [Staphylococcus aureus subsp. aureus Mu50]" 100.00 88 100.00 100.00 4.34e-54 DBJ BAB94830 "phophocarrier protein HPR [Staphylococcus aureus subsp. aureus MW2]" 100.00 88 100.00 100.00 4.34e-54 DBJ BAE05184 "phosphocarrier protein Hpr [Staphylococcus haemolyticus JCSC1435]" 100.00 88 97.70 98.85 1.18e-52 DBJ BAF67221 "histidine-containing phosphocarrier protein [Staphylococcus aureus subsp. aureus str. Newman]" 100.00 88 100.00 100.00 4.34e-54 EMBL CAA63688 "histidin-containing protein [Staphylococcus aureus]" 100.00 88 100.00 100.00 4.34e-54 EMBL CAG40059 "histidine-containing phosphocarrier protein (HPr) [Staphylococcus aureus subsp. aureus MRSA252]" 100.00 88 100.00 100.00 4.34e-54 EMBL CAG42792 "histidine-containing phosphocarrier protein (HPr) [Staphylococcus aureus subsp. aureus MSSA476]" 100.00 88 100.00 100.00 4.34e-54 EMBL CAI80637 "histidine-containing phosphocarrier protein [Staphylococcus aureus RF122]" 100.00 88 100.00 100.00 4.34e-54 EMBL CAQ49505 "phosphocarrier protein HPr (Histidine-containing protein) [Staphylococcus aureus subsp. aureus ST398]" 100.00 88 100.00 100.00 4.34e-54 GB AAW37971 "phosphocarrier protein HPr [Staphylococcus aureus subsp. aureus COL]" 100.00 88 100.00 100.00 4.34e-54 GB ABD21453 "phosphocarrier protein HPr [Staphylococcus aureus subsp. aureus USA300_FPR3757]" 100.00 88 100.00 100.00 4.34e-54 GB ABD30149 "phosphocarrier protein hpr, putative [Staphylococcus aureus subsp. aureus NCTC 8325]" 100.00 88 100.00 100.00 4.34e-54 GB ABQ48943 "Phosphotransferase system, phosphocarrier protein HPr [Staphylococcus aureus subsp. aureus JH9]" 100.00 88 100.00 100.00 4.34e-54 GB ABR52019 "phosphocarrier, HPr family [Staphylococcus aureus subsp. aureus JH1]" 100.00 88 100.00 100.00 4.34e-54 REF WP_000437472 "MULTISPECIES: phosphocarrier protein HPr [Bacteria]" 100.00 88 100.00 100.00 4.34e-54 REF WP_002465252 "phosphocarrier protein HPr [Staphylococcus simiae]" 100.00 88 98.85 100.00 1.22e-53 REF WP_011276148 "MULTISPECIES: phosphocarrier protein HPr [Staphylococcus]" 100.00 88 97.70 98.85 1.18e-52 REF WP_031866640 "phosphocarrier protein HPr [Staphylococcus aureus]" 100.00 88 98.85 98.85 2.89e-53 REF WP_031878792 "phosphocarrier protein HPr [Staphylococcus aureus]" 100.00 88 98.85 100.00 1.33e-53 SP P0A0E1 "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein" 100.00 88 100.00 100.00 4.34e-54 SP P0A0E2 "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein" 100.00 88 100.00 100.00 4.34e-54 SP P0A0E3 "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein" 100.00 88 100.00 100.00 4.34e-54 SP P99143 "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein" 100.00 88 100.00 100.00 4.34e-54 SP Q5HH02 "RecName: Full=Phosphocarrier protein HPr; AltName: Full=Histidine-containing protein" 100.00 88 100.00 100.00 4.34e-54 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 . 1280 Bacteria . Staphylococcus aureus generic 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' . . . . . 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 7.8 . na temperature 304 . 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 DSS H . . ppm 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 HA H 4.71 . 1 2 . 1 MET HB2 H 2.12 . 2 3 . 1 MET HB3 H 2.18 . 2 4 . 1 MET HG2 H 2.51 . 2 5 . 1 MET HG3 H 2.61 . 2 6 . 1 MET HE H 2.06 . 1 7 . 2 GLU H H 9.35 . 1 8 . 2 GLU HA H 4.73 . 1 9 . 2 GLU HB2 H 2.01 . 2 10 . 2 GLU HB3 H 1.64 . 2 11 . 2 GLU HG2 H 2.14 . 2 12 . 2 GLU HG3 H 2.26 . 2 13 . 3 GLN H H 8.61 . 1 14 . 3 GLN HA H 5.66 . 1 15 . 3 GLN HB2 H 1.49 . 2 16 . 3 GLN HB3 H 1.89 . 2 17 . 3 GLN HG2 H 2.02 . 1 18 . 3 GLN HG3 H 2.02 . 1 19 . 3 GLN HE21 H 6.7 . 2 20 . 3 GLN HE22 H 7.3 . 2 21 . 4 ASN H H 8.53 . 1 22 . 4 ASN HA H 4.75 . 1 23 . 4 ASN HB2 H 2.42 . 2 24 . 4 ASN HB3 H 2.5 . 2 25 . 4 ASN HD21 H 6.18 . 2 26 . 4 ASN HD22 H 6.77 . 2 27 . 5 SER H H 7.87 . 1 28 . 5 SER HA H 5.55 . 1 29 . 5 SER HB2 H 3.48 . 2 30 . 5 SER HB3 H 3.86 . 2 31 . 6 TYR H H 8.87 . 1 32 . 6 TYR HA H 4.82 . 1 33 . 6 TYR HB2 H 2.25 . 2 34 . 6 TYR HB3 H 2.98 . 2 35 . 6 TYR HD1 H 6.86 . 1 36 . 6 TYR HD2 H 6.86 . 1 37 . 6 TYR HE1 H 6.53 . 1 38 . 6 TYR HE2 H 6.53 . 1 39 . 7 VAL H H 8.23 . 1 40 . 7 VAL HA H 4.91 . 1 41 . 7 VAL HB H 1.84 . 1 42 . 7 VAL HG1 H .76 . 2 43 . 7 VAL HG2 H .92 . 2 44 . 8 ILE H H 8.87 . 1 45 . 8 ILE HA H 4.68 . 1 46 . 8 ILE HB H 2.38 . 1 47 . 8 ILE HG12 H 1.68 . 2 48 . 8 ILE HG13 H 1.08 . 2 49 . 8 ILE HG2 H .89 . 1 50 . 8 ILE HD1 H .47 . 1 51 . 9 ILE H H 7.93 . 1 52 . 9 ILE HA H 4.24 . 1 53 . 9 ILE HB H 1.65 . 1 54 . 10 ASP H H 6.54 . 1 55 . 10 ASP HA H 4.53 . 1 56 . 10 ASP HB2 H 2.7 . 2 57 . 10 ASP HB3 H 2.79 . 2 58 . 11 GLU H H 8.67 . 1 59 . 11 GLU HA H 3.88 . 1 60 . 11 GLU HB2 H 2.07 . 1 61 . 11 GLU HB3 H 2.07 . 1 62 . 11 GLU HG2 H 2.34 . 1 63 . 11 GLU HG3 H 2.34 . 1 64 . 12 THR H H 9.22 . 1 65 . 12 THR HA H 4.26 . 1 66 . 12 THR HB H 3.98 . 1 67 . 12 THR HG2 H 1.06 . 1 68 . 13 GLY H H 8.19 . 1 69 . 13 GLY HA2 H 3.11 . 2 70 . 13 GLY HA3 H 4.36 . 2 71 . 14 ILE H H 7.58 . 1 72 . 14 ILE HA H 3.87 . 1 73 . 14 ILE HB H 1.86 . 1 74 . 14 ILE HG12 H 1.38 . 2 75 . 14 ILE HG13 H .68 . 2 76 . 14 ILE HG2 H .57 . 1 77 . 14 ILE HD1 H .57 . 1 78 . 15 HIS H H 6.73 . 1 79 . 15 HIS HA H 4.73 . 1 80 . 15 HIS HB2 H 3.03 . 2 81 . 15 HIS HB3 H 3.36 . 2 82 . 15 HIS HD2 H 7.25 . 1 83 . 15 HIS HE1 H 7.81 . 1 84 . 16 ALA H H 8 . 1 85 . 16 ALA HA H 4.27 . 1 86 . 16 ALA HB H 1.37 . 1 87 . 17 ARG H H 8.07 . 1 88 . 17 ARG HA H 4.27 . 1 89 . 17 ARG HB2 H 1.89 . 2 90 . 17 ARG HB3 H 1.96 . 2 91 . 17 ARG HG2 H 1.49 . 2 92 . 17 ARG HG3 H 1.72 . 2 93 . 17 ARG HD2 H 3.21 . 2 94 . 17 ARG HD3 H 3.33 . 2 95 . 18 PRO HA H 4 . 1 96 . 18 PRO HB2 H 1.86 . 2 97 . 18 PRO HB3 H 2.1 . 2 98 . 18 PRO HG2 H 1.7 . 2 99 . 18 PRO HG3 H 1.85 . 2 100 . 18 PRO HD2 H 3.16 . 2 101 . 18 PRO HD3 H 3.45 . 2 102 . 19 ALA H H 8.06 . 1 103 . 19 ALA HA H 3.66 . 1 104 . 19 ALA HB H 1.23 . 1 105 . 20 THR H H 8.06 . 1 106 . 20 THR HA H 3.74 . 1 107 . 20 THR HB H 4.37 . 1 108 . 20 THR HG2 H 1.21 . 1 109 . 21 MET H H 7.86 . 1 110 . 21 MET HA H 3.74 . 1 111 . 21 MET HB2 H 1.89 . 2 112 . 21 MET HB3 H 2.01 . 2 113 . 21 MET HG2 H 1.69 . 1 114 . 21 MET HG3 H 1.69 . 1 115 . 21 MET HE H 2 . 1 116 . 22 LEU H H 8.89 . 1 117 . 22 LEU HA H 4.06 . 1 118 . 22 LEU HB2 H 1.46 . 2 119 . 22 LEU HB3 H 1.1 . 2 120 . 22 LEU HG H 1.89 . 1 121 . 22 LEU HD1 H .83 . 2 122 . 22 LEU HD2 H .89 . 2 123 . 23 VAL H H 8.22 . 1 124 . 23 VAL HA H 3.48 . 1 125 . 23 VAL HB H 1.98 . 1 126 . 23 VAL HG1 H .76 . 2 127 . 23 VAL HG2 H 1.03 . 2 128 . 24 GLN H H 8.52 . 1 129 . 24 GLN HA H 4 . 1 130 . 24 GLN HB2 H 2.19 . 2 131 . 24 GLN HB3 H 2.22 . 2 132 . 24 GLN HG2 H 2.28 . 1 133 . 24 GLN HG3 H 2.28 . 1 134 . 25 THR H H 7.87 . 1 135 . 25 THR HA H 3.9 . 1 136 . 25 THR HB H 4.32 . 1 137 . 25 THR HG2 H 1.23 . 1 138 . 26 ALA H H 8.62 . 1 139 . 26 ALA HA H 3.95 . 1 140 . 26 ALA HB H 1.35 . 1 141 . 27 SER H H 8.05 . 1 142 . 27 SER HA H 4.11 . 1 143 . 27 SER HB2 H 4.03 . 2 144 . 27 SER HB3 H 4.34 . 2 145 . 28 LYS H H 7.36 . 1 146 . 28 LYS HA H 4 . 1 147 . 28 LYS HB2 H 1.39 . 2 148 . 28 LYS HB3 H 1.44 . 2 149 . 28 LYS HG2 H 1.25 . 2 150 . 28 LYS HG3 H 1.57 . 2 151 . 28 LYS HD2 H 1.52 . 2 152 . 28 LYS HD3 H 1.55 . 2 153 . 28 LYS HE2 H 2.82 . 1 154 . 28 LYS HE3 H 2.82 . 1 155 . 29 PHE H H 7.43 . 1 156 . 29 PHE HA H 4.51 . 1 157 . 29 PHE HB2 H 2.76 . 2 158 . 29 PHE HB3 H 3.4 . 2 159 . 29 PHE HD1 H 7.38 . 1 160 . 29 PHE HD2 H 7.38 . 1 161 . 29 PHE HE1 H 7.16 . 1 162 . 29 PHE HE2 H 7.16 . 1 163 . 29 PHE HZ H 7.07 . 1 164 . 30 ASP H H 11.27 . 1 165 . 30 ASP HA H 4.49 . 1 166 . 30 ASP HB2 H 2.58 . 2 167 . 30 ASP HB3 H 2.68 . 2 168 . 31 SER H H 9.12 . 1 169 . 31 SER HA H 4.3 . 1 170 . 31 SER HB2 H 3.25 . 2 171 . 31 SER HB3 H 3.46 . 2 172 . 31 SER HG H 5.56 . 1 173 . 32 ASP H H 7.87 . 1 174 . 32 ASP HA H 4.53 . 1 175 . 32 ASP HB2 H 2.56 . 2 176 . 32 ASP HB3 H 2.6 . 2 177 . 33 ILE H H 9.15 . 1 178 . 33 ILE HA H 5.37 . 1 179 . 33 ILE HB H 1.44 . 1 180 . 33 ILE HG12 H .61 . 1 181 . 33 ILE HG13 H .61 . 1 182 . 33 ILE HG2 H .79 . 1 183 . 33 ILE HD1 H .84 . 1 184 . 34 GLN H H 9.07 . 1 185 . 34 GLN HA H 5.34 . 1 186 . 34 GLN HB2 H 2.01 . 2 187 . 34 GLN HB3 H 1.74 . 2 188 . 34 GLN HG2 H 2.11 . 2 189 . 34 GLN HG3 H 2.26 . 2 190 . 35 LEU H H 9.11 . 1 191 . 35 LEU HA H 5.13 . 1 192 . 35 LEU HB2 H 1.45 . 2 193 . 35 LEU HB3 H 1.57 . 2 194 . 35 LEU HG H 1.52 . 1 195 . 35 LEU HD1 H .73 . 2 196 . 35 LEU HD2 H .78 . 2 197 . 36 GLU H H 9.87 . 1 198 . 36 GLU HA H 5.74 . 1 199 . 36 GLU HB2 H 2.12 . 2 200 . 36 GLU HB3 H 2.36 . 2 201 . 36 GLU HG2 H 1.87 . 2 202 . 36 GLU HG3 H 1.95 . 2 203 . 37 TYR H H 8.81 . 1 204 . 37 TYR HA H 5.1 . 1 205 . 37 TYR HB2 H 2.66 . 2 206 . 37 TYR HB3 H 3.11 . 2 207 . 37 TYR HD1 H 7.24 . 1 208 . 37 TYR HD2 H 7.24 . 1 209 . 37 TYR HE1 H 6.96 . 1 210 . 37 TYR HE2 H 6.96 . 1 211 . 38 ASN H H 9.32 . 1 212 . 38 ASN HA H 4.13 . 1 213 . 38 ASN HB2 H 1.48 . 2 214 . 38 ASN HB3 H 2.74 . 2 215 . 39 GLY H H 8.45 . 1 216 . 39 GLY HA2 H 5.33 . 2 217 . 39 GLY HA3 H 5.42 . 2 218 . 40 LYS H H 7.81 . 1 219 . 40 LYS HA H 4.57 . 1 220 . 40 LYS HB2 H 1.82 . 1 221 . 40 LYS HB3 H 1.82 . 1 222 . 40 LYS HG2 H 1.34 . 2 223 . 40 LYS HG3 H 1.42 . 2 224 . 40 LYS HD2 H 1.71 . 1 225 . 40 LYS HD3 H 1.71 . 1 226 . 40 LYS HE2 H 3 . 1 227 . 40 LYS HE3 H 3 . 1 228 . 41 LYS H H 8.28 . 1 229 . 41 LYS HA H 5.52 . 1 230 . 41 LYS HB2 H 1.56 . 2 231 . 41 LYS HB3 H 1.69 . 2 232 . 41 LYS HG2 H 1.18 . 1 233 . 41 LYS HG3 H 1.18 . 1 234 . 41 LYS HD2 H 1.39 . 1 235 . 41 LYS HD3 H 1.39 . 1 236 . 41 LYS HE2 H 2.58 . 1 237 . 41 LYS HE3 H 2.58 . 1 238 . 42 VAL H H 9.09 . 1 239 . 42 VAL HA H 4.71 . 1 240 . 42 VAL HB H 2.09 . 1 241 . 42 VAL HG1 H .76 . 2 242 . 42 VAL HG2 H .85 . 2 243 . 43 ASN H H 7.51 . 1 244 . 43 ASN HA H 5.1 . 1 245 . 43 ASN HB2 H 2.76 . 2 246 . 43 ASN HB3 H 3.49 . 2 247 . 44 LEU H H 7.15 . 1 248 . 44 LEU HA H 4.22 . 1 249 . 44 LEU HB2 H 1.9 . 2 250 . 44 LEU HB3 H 2.18 . 2 251 . 45 LYS H H 7.79 . 1 252 . 45 LYS HA H 3.82 . 1 253 . 45 LYS HB2 H 1.78 . 2 254 . 45 LYS HB3 H 2.4 . 2 255 . 45 LYS HG2 H 1.45 . 1 256 . 45 LYS HG3 H 1.45 . 1 257 . 45 LYS HD2 H 1.52 . 1 258 . 45 LYS HD3 H 1.52 . 1 259 . 45 LYS HE2 H 2.74 . 1 260 . 45 LYS HE3 H 2.74 . 1 261 . 46 SER H H 7.56 . 1 262 . 46 SER HA H 4.78 . 1 263 . 46 SER HB2 H 3.77 . 2 264 . 46 SER HB3 H 4.21 . 2 265 . 47 ILE H H 8.69 . 1 266 . 47 ILE HA H 4.55 . 1 267 . 47 ILE HB H 2.11 . 1 268 . 47 ILE HG12 H 1.22 . 2 269 . 47 ILE HG13 H .81 . 2 270 . 47 ILE HG2 H .92 . 1 271 . 47 ILE HD1 H .7 . 1 272 . 48 MET H H 8.45 . 1 273 . 48 MET HA H 4.12 . 1 274 . 48 MET HB2 H .88 . 2 275 . 48 MET HB3 H 1.8 . 2 276 . 48 MET HG2 H 1.68 . 2 277 . 48 MET HG3 H 2.18 . 2 278 . 48 MET HE H 2.1 . 1 279 . 49 GLY H H 8.68 . 1 280 . 49 GLY HA2 H 4.07 . 2 281 . 49 GLY HA3 H 3.65 . 2 282 . 50 VAL H H 8.21 . 1 283 . 50 VAL HA H 4.15 . 1 284 . 50 VAL HB H 2.02 . 1 285 . 50 VAL HG1 H .83 . 2 286 . 50 VAL HG2 H .98 . 2 287 . 51 MET H H 7.53 . 1 288 . 51 MET HA H 4.3 . 1 289 . 51 MET HB2 H 1.93 . 2 290 . 51 MET HB3 H 2.05 . 2 291 . 51 MET HG2 H 2.52 . 2 292 . 51 MET HG3 H 2.55 . 2 293 . 51 MET HE H 2.06 . 1 294 . 52 SER H H 8.51 . 1 295 . 52 SER HA H 3.87 . 1 296 . 52 SER HB2 H 1.62 . 2 297 . 52 SER HB3 H 1.77 . 2 298 . 53 LEU H H 7.88 . 1 299 . 53 LEU HA H 4.27 . 1 300 . 53 LEU HB2 H 1.32 . 2 301 . 53 LEU HB3 H 1.38 . 2 302 . 53 LEU HG H 1.62 . 1 303 . 53 LEU HD1 H .77 . 2 304 . 53 LEU HD2 H .82 . 2 305 . 54 GLY H H 7.82 . 1 306 . 54 GLY HA2 H 4.06 . 2 307 . 54 GLY HA3 H 3.98 . 2 308 . 55 VAL H H 8.11 . 1 309 . 55 VAL HA H 2.75 . 1 310 . 55 VAL HB H 1.64 . 1 311 . 55 VAL HG1 H .44 . 2 312 . 55 VAL HG2 H .48 . 2 313 . 56 GLY H H 7.68 . 1 314 . 56 GLY HA2 H 4.43 . 2 315 . 56 GLY HA3 H 3.64 . 2 316 . 57 LYS H H 7.86 . 1 317 . 57 LYS HA H 3.64 . 1 318 . 57 LYS HB2 H 1.52 . 2 319 . 57 LYS HB3 H 2.16 . 2 320 . 57 LYS HG2 H 1.11 . 2 321 . 57 LYS HG3 H 1.9 . 2 322 . 57 LYS HD2 H 1.51 . 1 323 . 57 LYS HD3 H 1.51 . 1 324 . 57 LYS HE2 H 3.02 . 1 325 . 57 LYS HE3 H 3.02 . 1 326 . 58 ASP H H 8.78 . 1 327 . 58 ASP HA H 4.23 . 1 328 . 58 ASP HB2 H 2.87 . 2 329 . 58 ASP HB3 H 3.1 . 2 330 . 59 ALA H H 7.55 . 1 331 . 59 ALA HA H 4.33 . 1 332 . 59 ALA HB H 1.32 . 1 333 . 60 GLU H H 8.46 . 1 334 . 60 GLU HA H 5.25 . 1 335 . 60 GLU HB2 H 1.97 . 2 336 . 60 GLU HB3 H 2.12 . 2 337 . 60 GLU HG2 H 2.28 . 1 338 . 60 GLU HG3 H 2.28 . 1 339 . 61 ILE H H 8.85 . 1 340 . 61 ILE HA H 5.47 . 1 341 . 61 ILE HB H 1.95 . 1 342 . 61 ILE HG12 H 1.68 . 2 343 . 61 ILE HG13 H .99 . 2 344 . 61 ILE HG2 H .9 . 1 345 . 61 ILE HD1 H .63 . 1 346 . 62 THR H H 8.62 . 1 347 . 62 THR HA H 5.11 . 1 348 . 62 THR HB H 3.8 . 1 349 . 62 THR HG2 H .51 . 1 350 . 63 ILE H H 8.95 . 1 351 . 63 ILE HA H 5.13 . 1 352 . 63 ILE HB H 1.73 . 1 353 . 63 ILE HG12 H 1.51 . 2 354 . 63 ILE HG13 H 1.11 . 2 355 . 63 ILE HG2 H .77 . 1 356 . 63 ILE HD1 H .68 . 1 357 . 64 TYR H H 8.85 . 1 358 . 64 TYR HA H 5.18 . 1 359 . 64 TYR HB2 H 2.69 . 2 360 . 64 TYR HB3 H 3.03 . 2 361 . 64 TYR HD1 H 6.97 . 1 362 . 64 TYR HD2 H 6.97 . 1 363 . 64 TYR HE1 H 6.68 . 1 364 . 64 TYR HE2 H 6.68 . 1 365 . 65 ALA H H 9.34 . 1 366 . 65 ALA HA H 5.47 . 1 367 . 65 ALA HB H 1.16 . 1 368 . 66 ASP H H 8.84 . 1 369 . 66 ASP HA H 5.54 . 1 370 . 66 ASP HB2 H 2.52 . 2 371 . 66 ASP HB3 H 2.9 . 2 372 . 67 GLY H H 10.23 . 1 373 . 67 GLY HA2 H 4.81 . 2 374 . 67 GLY HA3 H 3.96 . 2 375 . 68 SER H H 7.14 . 1 376 . 68 SER HA H 3.76 . 1 377 . 68 SER HB2 H 3.64 . 1 378 . 68 SER HB3 H 3.64 . 1 379 . 69 ASP H H 8.06 . 1 380 . 69 ASP HA H 4.6 . 1 381 . 69 ASP HB2 H 2.87 . 2 382 . 69 ASP HB3 H 3.08 . 2 383 . 70 GLU H H 7.99 . 1 384 . 70 GLU HA H 4.15 . 1 385 . 70 GLU HB2 H 1.87 . 2 386 . 70 GLU HB3 H 2.57 . 2 387 . 70 GLU HG2 H 2.65 . 2 388 . 70 GLU HG3 H 2.75 . 2 389 . 71 SER H H 8.23 . 1 390 . 71 SER HA H 4.14 . 1 391 . 71 SER HB2 H 3.9 . 2 392 . 71 SER HB3 H 3.84 . 2 393 . 72 ASP H H 7.59 . 1 394 . 72 ASP HA H 4.28 . 1 395 . 72 ASP HB2 H 2.69 . 2 396 . 72 ASP HB3 H 2.72 . 2 397 . 73 ALA H H 8.28 . 1 398 . 73 ALA HA H 2.08 . 1 399 . 73 ALA HB H .69 . 1 400 . 74 ILE H H 7.58 . 1 401 . 74 ILE HA H 3.66 . 1 402 . 74 ILE HB H 1.77 . 1 403 . 74 ILE HG12 H 1.4 . 2 404 . 74 ILE HG13 H 1.24 . 2 405 . 74 ILE HG2 H .9 . 1 406 . 74 ILE HD1 H .61 . 1 407 . 75 GLN H H 7.29 . 1 408 . 75 GLN HA H 3.98 . 1 409 . 75 GLN HB2 H 2.35 . 2 410 . 75 GLN HB3 H 2.09 . 2 411 . 75 GLN HG2 H 2.4 . 2 412 . 75 GLN HG3 H 2.53 . 2 413 . 75 GLN HE21 H 7.08 . 2 414 . 75 GLN HE22 H 8.22 . 2 415 . 76 ALA H H 7.91 . 1 416 . 76 ALA HA H 4.18 . 1 417 . 76 ALA HB H 1.56 . 1 418 . 77 ILE H H 8.23 . 1 419 . 77 ILE HA H 3.58 . 1 420 . 77 ILE HB H 1.89 . 1 421 . 77 ILE HG12 H .96 . 2 422 . 77 ILE HG13 H 1.09 . 2 423 . 77 ILE HG2 H .67 . 1 424 . 77 ILE HD1 H 1.04 . 1 425 . 78 SER H H 8.54 . 1 426 . 78 SER HA H 4.07 . 1 427 . 78 SER HB2 H 4.19 . 1 428 . 78 SER HB3 H 4.19 . 1 429 . 79 ASP H H 7.97 . 1 430 . 79 ASP HA H 4.43 . 1 431 . 79 ASP HB2 H 2.68 . 2 432 . 79 ASP HB3 H 2.82 . 2 433 . 80 VAL H H 7.84 . 1 434 . 80 VAL HA H 3.8 . 1 435 . 80 VAL HB H 2.14 . 1 436 . 80 VAL HG1 H .92 . 2 437 . 80 VAL HG2 H 1.12 . 2 438 . 81 LEU H H 8.02 . 1 439 . 81 LEU HA H 3.68 . 1 440 . 81 LEU HB2 H 1.36 . 2 441 . 81 LEU HB3 H 1.7 . 2 442 . 81 LEU HG H 1.47 . 1 443 . 81 LEU HD1 H .18 . 2 444 . 81 LEU HD2 H .45 . 2 445 . 82 SER H H 7.44 . 1 446 . 82 SER HA H 4.35 . 1 447 . 82 SER HB2 H 3.92 . 1 448 . 82 SER HB3 H 3.92 . 1 449 . 83 LYS H H 8.78 . 1 450 . 83 LYS HA H 4.03 . 1 451 . 83 LYS HB2 H 1.88 . 2 452 . 83 LYS HB3 H 2 . 2 453 . 83 LYS HG2 H 1.54 . 1 454 . 83 LYS HG3 H 1.54 . 1 455 . 83 LYS HD2 H 1.66 . 1 456 . 83 LYS HD3 H 1.66 . 1 457 . 83 LYS HE2 H 2.97 . 1 458 . 83 LYS HE3 H 2.97 . 1 459 . 84 GLU H H 8.18 . 1 460 . 84 GLU HA H 4.28 . 1 461 . 84 GLU HB2 H 1.79 . 2 462 . 84 GLU HB3 H 2.35 . 2 463 . 84 GLU HG2 H 2.25 . 2 464 . 84 GLU HG3 H 2.51 . 2 465 . 85 GLY H H 7.52 . 1 466 . 85 GLY HA2 H 3.88 . 2 467 . 85 GLY HA3 H 3.76 . 2 468 . 86 LEU H H 8.08 . 1 469 . 86 LEU HA H 4.48 . 1 470 . 86 LEU HB2 H 1.95 . 2 471 . 86 LEU HB3 H 2.3 . 2 472 . 87 THR H H 7.33 . 1 473 . 87 THR HA H 4.89 . 1 474 . 87 THR HB H 4.56 . 1 475 . 87 THR HG2 H 1.03 . 1 stop_ save_