data_6446 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural and Functional Characterization of Transmembrane Segment IV of the NHE1 Isoform of the Na+/H+ Exchanger ; _BMRB_accession_number 6446 _BMRB_flat_file_name bmr6446.str _Entry_type original _Submission_date 2004-12-28 _Accession_date 2004-12-28 _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 Slepkov E. R. . 2 Rainey J. K. . 3 Li X. . . 4 Liu Y. . . 5 Cheng F. J. . 6 Lindhout D. A. . 7 Sykes B. D. . 8 Fliegel L. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 135 "13C chemical shifts" 52 "15N chemical shifts" 25 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-11 update BMRB 'Updating non-standard residue' 2008-03-24 update BMRB . 2005-06-02 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Na+/H+ Exchanger isoform 1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15677483 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Slepkov E. R. . 2 Rainey J. K. . 3 Li X. . . 4 Liu Y. . . 5 Cheng F. J. . 6 Lindhout D. A. . 7 Sykes B. D. . 8 Fliegel L. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 280 _Journal_issue 18 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 17863 _Page_last 17872 _Year 2005 _Details . loop_ _Keyword 'NHE1 isoform' transmembrane stop_ save_ ################################## # Molecular system description # ################################## save_system _Saveframe_category molecular_system _Mol_system_name 'Sodium/hydrogen exchanger 1' _Abbreviation_common NHE1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Sodium/hydrogen exchanger 1 TM segment IV' $exchanger_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_exchanger_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Sodium/hydrogen exchanger 1' _Abbreviation_common 'Sodium/hydrogen exchanger 1' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 27 _Mol_residue_sequence ; FLQSDVFFLFLLPPIILDAG YFLPLRX ; loop_ _Residue_seq_code _Residue_label 1 PHE 2 LEU 3 GLN 4 SER 5 ASP 6 VAL 7 PHE 8 PHE 9 LEU 10 PHE 11 LEU 12 LEU 13 PRO 14 PRO 15 ILE 16 ILE 17 LEU 18 ASP 19 ALA 20 GLY 21 TYR 22 PHE 23 LEU 24 PRO 25 LEU 26 ARG 27 HSL 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 1Y4E "Nmr Structure Of Transmembrane Segment Iv Of The Nhe1 Isoform Of The Na+H+ EXCHANGER" 96.30 27 100.00 100.00 5.86e-07 DBJ BAE02258 "unnamed protein product [Macaca fascicularis]" 96.30 315 100.00 100.00 9.07e-07 DBJ BAE29332 "unnamed protein product [Mus musculus]" 96.30 820 100.00 100.00 1.67e-06 DBJ BAE32882 "unnamed protein product [Mus musculus]" 96.30 820 100.00 100.00 1.68e-06 DBJ BAE38221 "unnamed protein product [Mus musculus]" 96.30 549 100.00 100.00 1.54e-06 DBJ BAG36869 "unnamed protein product [Homo sapiens]" 96.30 815 100.00 100.00 1.65e-06 EMBL CAA48771 "Na/H exchanger [Cricetulus griseus]" 96.30 822 100.00 100.00 1.60e-06 GB AAA92976 "Na+/H+ exchanger [Mus musculus]" 96.30 820 100.00 100.00 1.67e-06 GB AAA98479 "sodium-hydrogen exchange protein-isoform 1 [Rattus norvegicus]" 96.30 820 100.00 100.00 1.65e-06 GB AAB59460 "Na/H antiporter [Homo sapiens]" 96.30 815 100.00 100.00 1.54e-06 GB AAC60606 "Na+/H+ exchanger NHE-1 isoform [Homo sapiens]" 96.30 815 100.00 100.00 1.61e-06 GB AAF21350 "sodium/hydrogen exchanger isoform 1 [Homo sapiens]" 96.30 815 100.00 100.00 1.61e-06 REF NP_001233682 "sodium/hydrogen exchanger 1 [Cricetulus griseus]" 96.30 822 100.00 100.00 1.60e-06 REF NP_001273957 "sodium/hydrogen exchanger 1 [Canis lupus familiaris]" 96.30 816 100.00 100.00 1.71e-06 REF NP_003038 "sodium/hydrogen exchanger 1 [Homo sapiens]" 96.30 815 100.00 100.00 1.61e-06 REF NP_036784 "sodium/hydrogen exchanger 1 [Rattus norvegicus]" 96.30 820 100.00 100.00 1.65e-06 REF NP_058677 "sodium/hydrogen exchanger 1 [Mus musculus]" 96.30 820 100.00 100.00 1.67e-06 SP P19634 "RecName: Full=Sodium/hydrogen exchanger 1; AltName: Full=APNH; AltName: Full=Na(+)/H(+) antiporter, amiloride-sensitive; AltNam" 96.30 815 100.00 100.00 1.61e-06 SP P26431 "RecName: Full=Sodium/hydrogen exchanger 1; AltName: Full=Na(+)/H(+) exchanger 1; Short=NHE-1; AltName: Full=Solute carrier fami" 96.30 820 100.00 100.00 1.65e-06 SP P48761 "RecName: Full=Sodium/hydrogen exchanger 1; AltName: Full=Na(+)/H(+) exchanger 1; Short=NHE-1; AltName: Full=Solute carrier fami" 96.30 822 100.00 100.00 1.60e-06 SP Q61165 "RecName: Full=Sodium/hydrogen exchanger 1; AltName: Full=Na(+)/H(+) exchanger 1; Short=NHE-1; AltName: Full=Solute carrier fami" 96.30 820 100.00 100.00 1.67e-06 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_HSL _Saveframe_category polymer_residue _Mol_type 'L-peptide linking' _Name_common 'HOMOSERINE LACTONE' _BMRB_code . _PDB_code HSL _Standard_residue_derivative . _Molecular_mass 101.104 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 2 11:36:02 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? OD OD O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HG2 HG2 H . 0 . ? HG3 HG3 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 CA ? ? SING N H ? ? SING N H2 ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OD ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG OD ? ? SING CG HG2 ? ? SING CG HG3 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $exchanger_1 Human 9606 Eukaryota Metazoa Homo sapiens 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 $exchanger_1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'CDC13/CD3OH/H2O ratio was actually 4:4:1 V:v:v' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $exchanger_1 2 mM . DSS 1 mM . CDCl3 44 % . CD3OH 44 % . H2O 11 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'CDC13/CD3OH/H2O ratio was actually 4:4:1 V:v:v' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $exchanger_1 2 mM [U-15N] DSS 1 mM . CDCl3 44 % . CD3OH 44 % . H2O 11 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version various loop_ _Task collection stop_ _Details 'Varian Inc.' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Task processing stop_ _Details ; Frank Delaglio, Stephan Grzesiek, Guang Zhu, Geerten W. Vuister, John Pfeifer, and Ad Bax ; save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version '3.109 and 3.110' loop_ _Task 'data analysis' stop_ _Details 'T. D. Goddard and D. G. Kneller' save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Task 'structure solution' refinement stop_ _Details ; A.T.Brunger, P.D.Adams, G.M.Clore, W.L.Delano, P.Gros, R.W.Grosse-Kunstleve, J.-S.Jiang, J.Kuszewski, M.Nilges, N.S.Pannu, R.J.Read, L.M.Rice, T.Simonson, G.L.Warren ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_HNHA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_2D_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_2D_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH . . n/a temperature 303 . K pressure 1 . atm 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 . direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $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_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Sodium/hydrogen exchanger 1 TM segment IV' _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 PHE CA C 49.586 0.5 1 2 . 1 PHE CB C 42.513 0.5 1 3 . 1 PHE HA H 3.951 0.05 1 4 . 1 PHE HB2 H 3.529 0.05 1 5 . 2 LEU CA C 57.161 0.5 1 6 . 2 LEU CB C 41.715 0.5 1 7 . 2 LEU HA H 4.363 0.05 1 8 . 2 LEU HB2 H 1.798 0.05 1 9 . 2 LEU HB3 H 1.799 0.05 1 10 . 2 LEU HD1 H 0.903 0.05 1 11 . 2 LEU HD2 H 0.957 0.05 1 12 . 2 LEU HG H 1.578 0.05 1 13 . 2 LEU H H 7.479 0.05 1 14 . 2 LEU N N 116.867 0.5 1 15 . 3 GLN CA C 57.582 0.5 1 16 . 3 GLN CB C 28.463 0.5 1 17 . 3 GLN HA H 4.182 0.05 1 18 . 3 GLN HB2 H 2.059 0.05 1 19 . 3 GLN HB3 H 2.146 0.05 1 20 . 3 GLN HE21 H 7.466 0.05 1 21 . 3 GLN HE22 H 6.646 0.05 1 22 . 3 GLN HG2 H 2.399 0.05 1 23 . 3 GLN HG3 H 2.404 0.05 1 24 . 3 GLN H H 8.783 0.05 1 25 . 3 GLN N N 119.307 0.5 1 26 . 3 GLN NE2 N 109.086 0.5 1 27 . 4 SER CA C 59.633 0.5 1 28 . 4 SER CB C 63.031 0.5 1 29 . 4 SER HA H 4.289 0.05 1 30 . 4 SER HB2 H 3.865 0.05 1 31 . 4 SER HB3 H 3.992 0.05 1 32 . 4 SER H H 7.904 0.05 1 33 . 4 SER N N 113.151 0.5 1 34 . 5 ASP CA C 54.502 0.5 1 35 . 5 ASP CB C 37.190 0.5 1 36 . 5 ASP HA H 4.639 0.05 1 37 . 5 ASP HB2 H 2.944 0.05 1 38 . 5 ASP HB3 H 2.998 0.05 1 39 . 5 ASP H H 8.144 0.05 1 40 . 5 ASP N N 119.096 0.5 1 41 . 6 VAL CA C 64.943 0.5 1 42 . 6 VAL CB C 31.410 0.5 1 43 . 6 VAL HA H 3.802 0.05 1 44 . 6 VAL HB H 2.117 0.05 1 45 . 6 VAL HG1 H 0.886 0.05 1 46 . 6 VAL HG2 H 0.972 0.05 1 47 . 6 VAL H H 7.785 0.05 1 48 . 6 VAL N N 117.748 0.5 1 49 . 7 PHE CA C 60.306 0.5 1 50 . 7 PHE CB C 38.475 0.5 1 51 . 7 PHE HA H 4.296 0.05 1 52 . 7 PHE HB2 H 3.056 0.05 1 53 . 7 PHE HB3 H 3.108 0.05 1 54 . 7 PHE H H 7.579 0.05 1 55 . 7 PHE N N 117.317 0.5 1 56 . 8 PHE CA C 55.172 0.5 1 57 . 8 PHE CB C 38.707 0.5 1 58 . 8 PHE HA H 4.285 0.05 1 59 . 8 PHE HB2 H 3.157 0.05 1 60 . 8 PHE HB3 H 3.235 0.05 1 61 . 8 PHE H H 7.715 0.05 1 62 . 8 PHE N N 115.671 0.5 1 63 . 9 LEU CA C 57.149 0.5 1 64 . 9 LEU CB C 41.504 0.5 1 65 . 9 LEU HA H 4.024 0.05 1 66 . 9 LEU HB2 H 1.756 0.05 1 67 . 9 LEU HB3 H 1.733 0.05 1 68 . 9 LEU HD1 H 0.911 0.05 1 69 . 9 LEU HD2 H 0.858 0.05 1 70 . 9 LEU HG H 1.410 0.05 1 71 . 9 LEU H H 7.702 0.05 1 72 . 9 LEU N N 116.853 0.5 1 73 . 10 PHE CA C 58.964 0.5 1 74 . 10 PHE CB C 39.023 0.5 1 75 . 10 PHE HA H 4.459 0.05 1 76 . 10 PHE HB2 H 3.118 0.05 1 77 . 10 PHE HB3 H 3.243 0.05 1 78 . 10 PHE H H 7.524 0.05 1 79 . 10 PHE N N 113.665 0.5 1 80 . 11 LEU CA C 54.704 0.5 1 81 . 11 LEU CB C 40.513 0.5 1 82 . 11 LEU HA H 4.206 0.05 1 83 . 11 LEU HB2 H 1.584 0.05 1 84 . 11 LEU HB3 H 1.577 0.05 1 85 . 11 LEU HG H 1.306 0.05 1 86 . 11 LEU H H 8.189 0.05 1 87 . 11 LEU N N 120.891 0.5 1 88 . 12 LEU CA C 56.155 0.5 1 89 . 12 LEU CB C 40.918 0.5 1 90 . 12 LEU HA H 4.441 0.05 1 91 . 12 LEU HB2 H 1.872 0.05 1 92 . 12 LEU HB3 H 1.869 0.05 1 93 . 12 LEU HG H 1.587 0.05 1 94 . 12 LEU HD1 H 0.980 0.05 1 95 . 12 LEU H H 7.767 0.05 1 96 . 12 LEU N N 120.365 0.5 1 97 . 13 PRO CA C 64.222 0.5 1 98 . 13 PRO CB C 30.842 0.5 1 99 . 13 PRO HA H 4.409 0.05 1 100 . 13 PRO HB2 H 2.252 0.05 1 101 . 13 PRO HB3 H 1.895 0.05 1 102 . 14 PRO CA C 65.649 0.5 1 103 . 14 PRO CB C 28.549 0.5 1 104 . 14 PRO HA H 4.274 0.05 1 105 . 14 PRO HB2 H 2.285 0.05 1 106 . 14 PRO HB3 H 1.956 0.05 1 107 . 14 PRO HD2 H 3.559 0.05 1 108 . 14 PRO HG2 H 2.021 0.05 1 109 . 15 ILE CA C 64.422 0.5 1 110 . 15 ILE CB C 37.549 0.5 1 111 . 15 ILE HA H 3.829 0.05 1 112 . 15 ILE HB H 2.116 0.05 1 113 . 15 ILE HG2 H 0.955 0.05 1 114 . 15 ILE HG12 H 1.229 0.05 1 115 . 15 ILE HG13 H 1.230 0.05 1 116 . 15 ILE H H 7.363 0.05 1 117 . 15 ILE N N 116.522 0.5 1 118 . 16 ILE CA C 64.067 0.5 1 119 . 16 ILE CB C 37.350 0.5 1 120 . 16 ILE HA H 3.750 0.05 1 121 . 16 ILE HB H 1.972 0.05 1 122 . 16 ILE HD1 H 0.905 0.05 1 123 . 16 ILE HG12 H 1.334 0.05 1 124 . 16 ILE HG13 H 1.235 0.05 1 125 . 16 ILE HG2 H 0.953 0.05 1 126 . 16 ILE H H 7.899 0.05 1 127 . 16 ILE N N 119.135 0.5 1 128 . 17 LEU CA C 57.363 0.5 1 129 . 17 LEU CB C 41.928 0.5 1 130 . 17 LEU HA H 4.104 0.05 1 131 . 17 LEU HB2 H 1.759 0.05 1 132 . 17 LEU HD1 H 0.941 0.05 1 133 . 17 LEU HD2 H 0.914 0.05 1 134 . 17 LEU HG H 1.626 0.05 1 135 . 17 LEU H H 8.107 0.05 1 136 . 17 LEU N N 118.732 0.5 1 137 . 18 ASP CA C 54.922 0.5 1 138 . 18 ASP CB C 37.578 0.5 1 139 . 18 ASP HA H 4.662 0.05 1 140 . 18 ASP HB2 H 3.128 0.05 1 141 . 18 ASP HB3 H 2.955 0.05 1 142 . 18 ASP H H 8.170 0.05 1 143 . 18 ASP N N 116.426 0.5 1 144 . 19 ALA CA C 55.943 0.5 1 145 . 19 ALA CB C 26.796 0.5 1 146 . 19 ALA HA H 4.291 0.05 1 147 . 19 ALA HB H 1.647 0.05 1 148 . 19 ALA H H 8.651 0.05 1 149 . 19 ALA N N 123.113 0.5 1 150 . 20 GLY CA C 46.379 0.5 1 151 . 20 GLY HA2 H 3.873 0.05 1 152 . 20 GLY HA3 H 3.776 0.05 1 153 . 20 GLY H H 8.213 0.05 1 154 . 20 GLY N N 103.144 0.5 1 155 . 21 TYR CA C 56.862 0.5 1 156 . 21 TYR CB C 38.321 0.5 1 157 . 21 TYR HA H 4.266 0.05 1 158 . 21 TYR HB2 H 2.828 0.05 1 159 . 21 TYR HB3 H 2.822 0.05 1 160 . 21 TYR H H 7.697 0.05 1 161 . 21 TYR N N 117.775 0.5 1 162 . 22 PHE CA C 58.875 0.5 1 163 . 22 PHE CB C 39.510 0.5 1 164 . 22 PHE HA H 4.540 0.05 1 165 . 22 PHE HB2 H 3.319 0.05 1 166 . 22 PHE HB3 H 3.044 0.05 1 167 . 22 PHE H H 7.760 0.05 1 168 . 22 PHE N N 114.045 0.5 1 169 . 23 LEU CA C 55.118 0.5 1 170 . 23 LEU CB C 42.361 0.5 1 171 . 23 LEU HA H 4.331 0.05 1 172 . 23 LEU HB2 H 1.766 0.05 1 173 . 23 LEU HD1 H 0.905 0.05 1 174 . 23 LEU HD2 H 0.901 0.05 1 175 . 23 LEU HG H 1.621 0.05 1 176 . 23 LEU H H 7.521 0.05 1 177 . 23 LEU N N 116.377 0.5 1 178 . 24 PRO CA C 68.713 0.5 1 179 . 24 PRO CB C 39.183 0.5 1 180 . 24 PRO HA H 4.322 0.05 1 181 . 24 PRO HB2 H 2.567 0.05 1 182 . 24 PRO HB3 H 3.397 0.05 1 183 . 24 PRO HG2 H 2.461 0.05 1 184 . 25 LEU CA C 55.147 0.5 1 185 . 25 LEU CB C 40.498 0.5 1 186 . 25 LEU HA H 4.288 0.05 1 187 . 25 LEU HB2 H 1.817 0.05 1 188 . 25 LEU HB3 H 1.800 0.05 1 189 . 25 LEU HG H 1.575 0.05 1 190 . 25 LEU H H 7.526 0.05 1 191 . 25 LEU N N 116.123 0.5 1 192 . 26 ARG CA C 57.646 0.5 1 193 . 26 ARG CB C 30.563 0.5 1 194 . 26 ARG HA H 4.336 0.05 1 195 . 26 ARG HB2 H 1.812 0.05 1 196 . 26 ARG HB3 H 1.929 0.05 1 197 . 26 ARG HD2 H 3.178 0.05 1 198 . 26 ARG HD3 H 3.178 0.05 1 199 . 26 ARG HE H 7.322 0.05 1 200 . 26 ARG HG2 H 1.672 0.05 1 201 . 26 ARG HG3 H 1.648 0.05 1 202 . 26 ARG H H 7.858 0.05 1 203 . 26 ARG N N 116.662 0.5 1 204 . 26 ARG NE N 108.582 0.5 1 205 . 27 HSL CB C 30.146 0.5 1 206 . 27 HSL HA H 4.532 0.05 1 207 . 27 HSL HB2 H 2.390 0.05 1 208 . 27 HSL HB3 H 2.571 0.05 1 209 . 27 HSL HG2 H 3.841 0.05 1 210 . 27 HSL HG3 H 3.841 0.05 1 211 . 27 HSL H H 8.219 0.05 1 212 . 27 HSL N N 112.928 0.5 1 stop_ save_