data_5972 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Proton Chemical Shifts for E coli ProP 468-497 peptide ; _BMRB_accession_number 5972 _BMRB_flat_file_name bmr5972.str _Entry_type original _Submission_date 2003-10-14 _Accession_date 2003-10-15 _Entry_origination author _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 Zoetewey David L. . 2 Tripet Brian P. . 3 Kutateladze Tatiana G. . 4 Overduin Michael J. . 5 Wood Janet M. . 6 Hodges Robert S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 214 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-16 update BMRB 'Updating non-standard residue' 2008-03-24 update BMRB . 2003-12-19 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the C-terminal Antiparallel Coiled-coil Domain of Escherichia Coli Osmosensor ProP ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14643666 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zoetewey David L. . 2 Tripet Brian P. . 3 Kutateladze Tatiana G. . 4 Overduin Michael J. . 5 Wood Janet M. . 6 Hodges Robert S. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 334 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1063 _Page_last 1076 _Year 2003 _Details . loop_ _Keyword 'antiparallel coiled-coil' 'transporter ProP' osmosensor stop_ save_ ################################## # Molecular system description # ################################## save_system_ProP _Saveframe_category molecular_system _Mol_system_name 'ProP antiparallel coiled-coil' _Abbreviation_common ProP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ProP subunit A, ProP 468-497 monomer peptide' $ProP 'ProP subunit B, ProP 468-497 monomer peptide' $ProP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'all other bound' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'ProP subunit A, ProP 468-497 monomer peptide' 1 'ProP subunit B, ProP 468-497 monomer peptide' stop_ loop_ _Biological_function 'Putative Osmosensing Coiled-coil' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ProP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ProP _Name_variant 468-497 _Abbreviation_common ProP _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 36 _Mol_residue_sequence ; XXCGGDNIEQKIDDIDHEIA DLQAKRTRLVQQHPRX ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 ACE 2 -4 CAM 3 -3 CYS 4 -2 GLY 5 -1 GLY 6 468 ASP 7 469 ASN 8 470 ILE 9 471 GLU 10 472 GLN 11 473 LYS 12 474 ILE 13 475 ASP 14 476 ASP 15 477 ILE 16 478 ASP 17 479 HIS 18 480 GLU 19 481 ILE 20 482 ALA 21 483 ASP 22 484 LEU 23 485 GLN 24 486 ALA 25 487 LYS 26 488 ARG 27 489 THR 28 490 ARG 29 491 LEU 30 492 VAL 31 493 GLN 32 494 GLN 33 495 HIS 34 496 PRO 35 497 ARG 36 498 NH2 stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1R48 "Solution Structure Of The C-Terminal Cytoplasmic Domain Residues 468-497 Of Escherichia Coli Protein Prop" 93.94 33 100.00 100.00 5.35e-12 DBJ BAB38516 "low-affinity transport system proline permease II [Escherichia coli O157:H7 str. Sakai]" 87.88 500 100.00 100.00 3.46e-11 DBJ BAE78113 "proline/glycine betaine transporter [Escherichia coli str. K-12 substr. W3110]" 87.88 500 100.00 100.00 3.46e-11 DBJ BAI57531 "proline/betaine transport protein [Escherichia coli SE15]" 87.88 500 100.00 100.00 3.46e-11 DBJ BAJ45826 "proline/betaine transporter [Escherichia coli DH1]" 87.88 500 100.00 100.00 3.46e-11 DBJ BAL40666 "proline/glycine betaine transporter [Escherichia coli str. K-12 substr. MDS42]" 87.88 500 100.00 100.00 3.46e-11 EMBL CAP78584 "Proline/betaine transporter [Escherichia coli LF82]" 87.88 500 100.00 100.00 3.46e-11 EMBL CAQ34460 "ProP osmosensory MFS transporter [Escherichia coli BL21(DE3)]" 87.88 500 100.00 100.00 3.46e-11 EMBL CAR05769 "proline/glycine betaine transporter [Escherichia coli S88]" 87.88 500 100.00 100.00 3.46e-11 EMBL CAR10804 "proline/glycine betaine transporter [Escherichia coli ED1a]" 87.88 500 100.00 100.00 3.46e-11 EMBL CAR15757 "proline/glycine betaine transporter [Escherichia coli UMN026]" 87.88 500 100.00 100.00 3.46e-11 GB AAA97010 "CG Site No. 361 [Escherichia coli str. K-12 substr. MG1655]" 87.88 500 100.00 100.00 3.46e-11 GB AAB00919 "a proline/betaine transporter [Escherichia coli]" 87.88 500 100.00 100.00 3.46e-11 GB AAC44538 "ProP [Escherichia coli]" 87.88 500 100.00 100.00 3.46e-11 GB AAC77072 "proline/glycine betaine transporter [Escherichia coli str. K-12 substr. MG1655]" 87.88 500 100.00 100.00 3.46e-11 GB AAG59310 "low-affinity transport system; proline permease II [Escherichia coli O157:H7 str. EDL933]" 87.88 500 100.00 100.00 3.46e-11 REF NP_290744 "proline/glycine betaine transporter [Escherichia coli O157:H7 str. EDL933]" 87.88 500 100.00 100.00 3.46e-11 REF NP_313120 "proline/glycine betaine transporter [Escherichia coli O157:H7 str. Sakai]" 87.88 500 100.00 100.00 3.46e-11 REF NP_418535 "proline/glycine betaine transporter [Escherichia coli str. K-12 substr. MG1655]" 87.88 500 100.00 100.00 3.46e-11 REF NP_756966 "proline/glycine betaine transporter [Escherichia coli CFT073]" 87.88 511 100.00 100.00 3.55e-11 REF WP_000530019 "proline/glycine betaine transporter [Shigella boydii]" 87.88 508 100.00 100.00 3.53e-11 SP P0C0L7 "RecName: Full=Proline/betaine transporter; AltName: Full=Proline porter II; Short=PPII [Escherichia coli K-12]" 87.88 500 100.00 100.00 3.46e-11 SP P0C0L8 "RecName: Full=Proline/betaine transporter; AltName: Full=Proline porter II; Short=PPII [Escherichia coli O157:H7]" 87.88 500 100.00 100.00 3.46e-11 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_ACE _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common 'ACETYL GROUP' _BMRB_code . _PDB_code ACE _Standard_residue_derivative . _Molecular_mass 44.053 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 11:53:59 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C C C . 0 . ? O O O . 0 . ? CH3 CH3 C . 0 . ? H H H . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C O ? ? SING C CH3 ? ? SING C H ? ? SING CH3 H1 ? ? SING CH3 H2 ? ? SING CH3 H3 ? ? stop_ save_ save_chem_comp_NH2 _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common 'AMINO GROUP' _BMRB_code . _PDB_code NH2 _Standard_residue_derivative . _Molecular_mass 16.023 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 11:58:19 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N HN1 ? ? SING N HN2 ? ? stop_ save_ save_chem_comp_CAM _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common CAMPHOR _BMRB_code . _PDB_code CAM _Standard_residue_derivative . _Molecular_mass 152.233 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Aug 11 10:34:59 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? C2 C2 C . 0 . ? O O O . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H4 H4 H . 0 . ? H51 H51 H . 0 . ? H52 H52 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H81 H81 H . 0 . ? H82 H82 H . 0 . ? H83 H83 H . 0 . ? H91 H91 H . 0 . ? H92 H92 H . 0 . ? H93 H93 H . 0 . ? H101 H101 H . 0 . ? H102 H102 H . 0 . ? H103 H103 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C1 C2 ? ? SING C1 C6 ? ? SING C1 C7 ? ? SING C1 C10 ? ? DOUB C2 O ? ? SING C2 C3 ? ? SING C3 C4 ? ? SING C3 H31 ? ? SING C3 H32 ? ? SING C4 C5 ? ? SING C4 C7 ? ? SING C4 H4 ? ? SING C5 C6 ? ? SING C5 H51 ? ? SING C5 H52 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING C7 C8 ? ? SING C7 C9 ? ? SING C8 H81 ? ? SING C8 H82 ? ? SING C8 H83 ? ? SING C9 H91 ? ? SING C9 H92 ? ? SING C9 H93 ? ? SING C10 H101 ? ? SING C10 H102 ? ? SING C10 H103 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Fraction _Gene_mnemonic $ProP 'E. coli' 562 Bacteria . Escherichia coli ctyoplasmic ProP 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 _Details $ProP 'chemical synthesis' . . . . . 'Synthesized using t-Boc chemistry' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ProP 3.0 mM . 'potassium phosphate' 50 mM . KCl 100 mM . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task FT phasing stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Task 'simulated annealing' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Task 'Semi-automated Peakpicking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Oxford _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Oxford _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ save_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample_1 save_ save_COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name COSY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_H2O_condition _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 0.3 n/a temperature 298 1 K 'ionic strength' 0.15 . M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $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_shiftset _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $H2O_condition _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'ProP subunit A, ProP 468-497 monomer peptide' _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 . 3 CYS H H 8.491 0.01 1 2 . 3 CYS HA H 4.543 0.01 1 3 . 3 CYS HB2 H 2.978 0.01 2 4 . 3 CYS HB3 H 3.091 0.01 2 5 . 4 GLY H H 8.657 0.01 1 6 . 4 GLY HA2 H 3.968 0.01 1 7 . 4 GLY HA3 H 3.968 0.01 1 8 . 5 GLY H H 8.286 0.01 1 9 . 5 GLY HA2 H 3.944 0.01 1 10 . 5 GLY HA3 H 3.944 0.01 1 11 . 6 ASP H H 8.286 0.01 1 12 . 6 ASP HA H 4.612 0.01 1 13 . 6 ASP HB2 H 2.633 0.01 2 14 . 6 ASP HB3 H 2.676 0.01 2 15 . 7 ASN H H 8.422 0.01 1 16 . 7 ASN HA H 4.707 0.01 1 17 . 7 ASN HB2 H 2.827 0.01 2 18 . 7 ASN HB3 H 2.914 0.01 2 19 . 7 ASN HD21 H 6.949 0.01 2 20 . 7 ASN HD22 H 7.598 0.01 2 21 . 8 ILE H H 8.174 0.01 1 22 . 8 ILE HA H 3.768 0.01 1 23 . 8 ILE HB H 1.841 0.01 1 24 . 8 ILE HG12 H 1.355 0.01 2 25 . 8 ILE HG13 H 1.240 0.01 2 26 . 8 ILE HG2 H 0.798 0.01 1 27 . 8 ILE HD1 H 0.759 0.01 1 28 . 9 GLU H H 8.367 0.01 1 29 . 9 GLU HA H 3.878 0.01 1 30 . 9 GLU HB2 H 2.018 0.01 2 31 . 9 GLU HB3 H 2.020 0.01 2 32 . 9 GLU HG2 H 2.365 0.01 2 33 . 9 GLU HG3 H 2.351 0.01 2 34 . 10 GLN H H 7.874 0.01 1 35 . 10 GLN HA H 4.041 0.01 1 36 . 10 GLN HB2 H 2.070 0.01 2 37 . 10 GLN HB3 H 2.073 0.01 2 38 . 10 GLN HG2 H 2.375 0.01 1 39 . 10 GLN HG3 H 2.375 0.01 1 40 . 10 GLN HE21 H 6.880 0.01 2 41 . 10 GLN HE22 H 7.668 0.01 2 42 . 11 LYS H H 7.755 0.01 1 43 . 11 LYS HA H 4.129 0.01 1 44 . 11 LYS HB2 H 1.979 0.01 2 45 . 11 LYS HB3 H 1.983 0.01 2 46 . 11 LYS HG2 H 1.827 0.01 2 47 . 11 LYS HG3 H 1.847 0.01 2 48 . 11 LYS HD2 H 1.468 0.01 2 49 . 11 LYS HD3 H 1.463 0.01 2 50 . 11 LYS HE2 H 2.977 0.01 1 51 . 11 LYS HE3 H 2.977 0.01 1 52 . 12 ILE H H 8.215 0.01 1 53 . 12 ILE HA H 3.494 0.01 1 54 . 12 ILE HB H 1.855 0.01 1 55 . 12 ILE HG12 H 1.751 0.01 2 56 . 12 ILE HG13 H 0.847 0.01 2 57 . 12 ILE HG2 H 1.051 0.01 1 58 . 12 ILE HD1 H 0.739 0.01 1 59 . 13 ASP H H 8.125 0.01 1 60 . 13 ASP HA H 4.337 0.01 1 61 . 13 ASP HB2 H 2.703 0.01 2 62 . 13 ASP HB3 H 2.822 0.01 2 63 . 14 ASP H H 8.407 0.01 1 64 . 14 ASP HA H 4.443 0.01 1 65 . 14 ASP HB2 H 2.900 0.01 2 66 . 14 ASP HB3 H 2.881 0.01 2 67 . 15 ILE H H 7.907 0.01 1 68 . 15 ILE HA H 3.793 0.01 1 69 . 15 ILE HB H 1.965 0.01 1 70 . 15 ILE HG12 H 1.042 0.01 2 71 . 15 ILE HG13 H 1.093 0.01 2 72 . 15 ILE HG2 H 0.977 0.01 1 73 . 15 ILE HD1 H 0.783 0.01 1 74 . 16 ASP H H 8.851 0.01 1 75 . 16 ASP HA H 4.424 0.01 1 76 . 16 ASP HB2 H 2.877 0.01 2 77 . 16 ASP HB3 H 2.846 0.01 2 78 . 17 HIS H H 8.362 0.01 1 79 . 17 HIS HA H 4.403 0.01 1 80 . 17 HIS HB2 H 3.444 0.01 2 81 . 17 HIS HB3 H 3.402 0.01 2 82 . 17 HIS HD2 H 8.645 0.01 1 83 . 17 HIS HE1 H 7.362 0.01 1 84 . 18 GLU H H 8.245 0.01 1 85 . 18 GLU HA H 4.159 0.01 1 86 . 18 GLU HB2 H 2.142 0.01 2 87 . 18 GLU HB3 H 2.363 0.01 2 88 . 18 GLU HG2 H 2.574 0.01 2 89 . 18 GLU HG3 H 2.590 0.01 2 90 . 19 ILE H H 9.040 0.01 1 91 . 19 ILE HA H 3.503 0.01 1 92 . 19 ILE HB H 1.896 0.01 1 93 . 19 ILE HG12 H 0.976 0.01 2 94 . 19 ILE HG13 H 0.869 0.01 2 95 . 19 ILE HG2 H 0.822 0.01 9 96 . 19 ILE HD1 H 0.822 0.01 9 97 . 20 ALA H H 7.894 0.01 1 98 . 20 ALA HA H 4.187 0.01 1 99 . 20 ALA HB H 1.501 0.01 1 100 . 21 ASP H H 8.089 0.01 1 101 . 21 ASP HA H 4.446 0.01 1 102 . 21 ASP HB2 H 2.731 0.01 2 103 . 21 ASP HB3 H 2.785 0.01 2 104 . 22 LEU H H 8.240 0.01 1 105 . 22 LEU HA H 4.055 0.01 1 106 . 22 LEU HB2 H 2.041 0.01 1 107 . 22 LEU HB3 H 2.041 0.01 1 108 . 22 LEU HG H 1.379 0.01 1 109 . 22 LEU HD1 H 0.954 0.01 2 110 . 22 LEU HD2 H 0.911 0.01 2 111 . 23 GLN H H 8.952 0.01 1 112 . 23 GLN HA H 3.959 0.01 1 113 . 23 GLN HB2 H 2.266 0.01 2 114 . 23 GLN HB3 H 2.352 0.01 2 115 . 23 GLN HG2 H 2.563 0.01 2 116 . 23 GLN HG3 H 2.006 0.01 2 117 . 23 GLN HE21 H 6.732 0.01 2 118 . 23 GLN HE22 H 7.138 0.01 2 119 . 24 ALA H H 8.021 0.01 1 120 . 24 ALA HA H 4.190 0.01 1 121 . 24 ALA HB H 1.564 0.01 1 122 . 25 LYS H H 7.972 0.01 1 123 . 25 LYS HA H 3.933 0.01 1 124 . 25 LYS HB2 H 1.911 0.01 2 125 . 25 LYS HB3 H 2.005 0.01 2 126 . 25 LYS HG2 H 1.332 0.01 2 127 . 25 LYS HG3 H 1.375 0.01 2 128 . 25 LYS HD2 H 1.564 0.01 2 129 . 25 LYS HD3 H 1.636 0.01 2 130 . 25 LYS HE2 H 2.958 0.01 2 131 . 25 LYS HE3 H 2.917 0.01 2 132 . 26 ARG H H 8.717 0.01 1 133 . 26 ARG HA H 3.701 0.01 1 134 . 26 ARG HB2 H 2.048 0.01 2 135 . 26 ARG HB3 H 2.062 0.01 2 136 . 26 ARG HG2 H 1.453 0.01 2 137 . 26 ARG HG3 H 1.395 0.01 2 138 . 26 ARG HD2 H 3.203 0.01 2 139 . 26 ARG HD3 H 3.204 0.01 2 140 . 26 ARG HE H 9.511 0.01 1 141 . 26 ARG HH11 H 6.874 0.01 1 142 . 26 ARG HH12 H 6.874 0.01 1 143 . 26 ARG HH21 H 6.915 0.01 2 144 . 26 ARG HH22 H 6.896 0.01 2 145 . 27 THR H H 8.190 0.01 1 146 . 27 THR HA H 3.875 0.01 1 147 . 27 THR HB H 4.255 0.01 1 148 . 27 THR HG2 H 1.212 0.01 1 149 . 28 ARG H H 7.510 0.01 1 150 . 28 ARG HA H 4.067 0.01 1 151 . 28 ARG HB2 H 1.896 0.01 2 152 . 28 ARG HB3 H 1.922 0.01 2 153 . 28 ARG HG2 H 1.604 0.01 2 154 . 28 ARG HG3 H 1.791 0.01 2 155 . 28 ARG HD2 H 3.217 0.01 2 156 . 28 ARG HD3 H 3.191 0.01 2 157 . 28 ARG HH11 H 7.271 0.01 2 158 . 28 ARG HH12 H 7.292 0.01 2 159 . 28 ARG HH21 H 7.281 0.01 2 160 . 28 ARG HH22 H 7.228 0.01 2 161 . 29 LEU H H 7.745 0.01 1 162 . 29 LEU HA H 4.111 0.01 1 163 . 29 LEU HB2 H 2.010 0.01 2 164 . 29 LEU HB3 H 2.161 0.01 2 165 . 29 LEU HG H 1.355 0.01 1 166 . 29 LEU HD1 H 0.874 0.01 2 167 . 29 LEU HD2 H 0.891 0.01 2 168 . 30 VAL H H 8.135 0.01 1 169 . 30 VAL HA H 3.734 0.01 1 170 . 30 VAL HB H 2.189 0.01 1 171 . 30 VAL HG1 H 1.056 0.01 2 172 . 30 VAL HG2 H 0.957 0.01 2 173 . 31 GLN H H 7.855 0.01 1 174 . 31 GLN HA H 4.108 0.01 1 175 . 31 GLN HB2 H 2.112 0.01 2 176 . 31 GLN HB3 H 2.133 0.01 2 177 . 31 GLN HG2 H 2.563 0.01 2 178 . 31 GLN HG3 H 2.411 0.01 2 179 . 31 GLN HE21 H 6.871 0.01 2 180 . 31 GLN HE22 H 7.528 0.01 2 181 . 32 GLN H H 7.720 0.01 1 182 . 32 GLN HA H 4.208 0.01 1 183 . 32 GLN HB2 H 2.056 0.01 2 184 . 32 GLN HB3 H 2.080 0.01 2 185 . 32 GLN HG2 H 2.385 0.01 2 186 . 32 GLN HG3 H 2.480 0.01 2 187 . 32 GLN HE21 H 6.816 0.01 2 188 . 32 GLN HE22 H 7.421 0.01 2 189 . 33 HIS H H 7.954 0.01 1 190 . 33 HIS HA H 4.922 0.01 1 191 . 33 HIS HB2 H 3.242 0.01 2 192 . 33 HIS HB3 H 3.102 0.01 2 193 . 33 HIS HD2 H 8.561 0.01 1 194 . 33 HIS HE1 H 7.332 0.01 1 195 . 34 PRO HA H 4.460 0.01 1 196 . 34 PRO HB2 H 1.938 0.01 2 197 . 34 PRO HB3 H 2.274 0.01 2 198 . 34 PRO HG2 H 2.017 0.01 2 199 . 34 PRO HG3 H 2.006 0.01 2 200 . 34 PRO HD2 H 3.514 0.01 2 201 . 34 PRO HD3 H 3.619 0.01 2 202 . 35 ARG H H 8.493 0.01 1 203 . 35 ARG HA H 4.285 0.01 1 204 . 35 ARG HB2 H 1.878 0.01 2 205 . 35 ARG HB3 H 1.846 0.01 2 206 . 35 ARG HG2 H 1.673 0.01 2 207 . 35 ARG HG3 H 1.769 0.01 2 208 . 35 ARG HD2 H 2.856 0.01 2 209 . 35 ARG HD3 H 3.222 0.01 2 210 . 35 ARG HE H 9.505 0.01 1 211 . 35 ARG HH11 H 7.292 0.01 2 212 . 35 ARG HH12 H 7.292 0.01 2 213 . 35 ARG HH21 H 7.337 0.01 2 214 . 35 ARG HH22 H 7.337 0.01 2 stop_ save_