data_17040 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; STRUCTURAL AND FUNCTIONAL ANALYSIS OF TM VI OF THE NHE1 ISOFORM OF THE Na+/H+ EXCHANGER ; _BMRB_accession_number 17040 _BMRB_flat_file_name bmr17040.str _Entry_type original _Submission_date 2010-07-01 _Accession_date 2010-07-01 _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 Tzeng Jennifer . . 2 Lee Brian L. . 3 Sykes Brian D. . 4 Fliegel Larry . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 170 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-11-18 update BMRB 'update entry citation' 2010-09-23 update BMRB 'update entry citation' 2010-09-03 original author 'original release' stop_ _Original_release_date 2015-11-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and Functional Analysis of Transmembrane Segment VI of the NHE1 Isoform of the Na+/H+ Exchanger. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20843797 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tzeng Jennifer . . 2 Lee Brian L. . 3 Sykes Brian D. . 4 Fliegel Larry . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 285 _Journal_issue 47 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 36656 _Page_last 36665 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TM VI' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TM VI' $TM_VI stop_ _System_molecular_weight 3479.16 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TM_VI _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TM_VI _Molecular_mass 3479.16 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 32 _Mol_residue_sequence ; XKKDNLLFGSIISAVDPVAV LAVFEEIHKKKX ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 223 ALY 2 224 LYS 3 225 LYS 4 226 ASP 5 227 ASN 6 228 LEU 7 229 LEU 8 230 PHE 9 231 GLY 10 232 SER 11 233 ILE 12 234 ILE 13 235 SER 14 236 ALA 15 237 VAL 16 238 ASP 17 239 PRO 18 240 VAL 19 241 ALA 20 242 VAL 21 243 LEU 22 244 ALA 23 245 VAL 24 246 PHE 25 247 GLU 26 248 GLU 27 249 ILE 28 250 HIS 29 251 LYS 30 252 LYS 31 253 LYS 32 254 NH2 stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 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 19484 entity 84.38 57 100.00 100.00 1.92e-08 PDB 2L0E "Structural And Functional Analysis Of Tm Vi Of The Nhe1 Isoform Of The Na+H+ EXCHANGER" 93.75 33 100.00 100.00 2.64e-10 PDB 2MDF "Nmr Structure Of A Two-transmembrane Segment Tm Vi-vii Of Nhe1" 84.38 57 100.00 100.00 1.92e-08 DBJ BAE02258 "unnamed protein product [Macaca fascicularis]" 78.13 315 100.00 100.00 1.23e-06 DBJ BAE75800 "NHE1 [Takifugu obscurus]" 71.88 730 100.00 100.00 1.94e-04 EMBL CAA42558 "Na(+)/H(+) exchanger [Oryctolagus cuniculus]" 78.13 816 100.00 100.00 6.37e-06 EMBL CAA69925 "Na+/H+ antiporter [Xenopus laevis]" 75.00 781 100.00 100.00 4.22e-05 EMBL CAF94405 "unnamed protein product, partial [Tetraodon nigroviridis]" 71.88 476 100.00 100.00 1.69e-04 EMBL CAG03374 "unnamed protein product [Tetraodon nigroviridis]" 71.88 711 100.00 100.00 2.98e-04 EMBL CDQ60725 "unnamed protein product [Oncorhynchus mykiss]" 71.88 795 100.00 100.00 1.92e-04 GB AAA31092 "Na+-H+ exchanger [Sus scrofa]" 78.13 818 100.00 100.00 4.74e-06 GB AAB20633 "Na(+)-H+ exchanger [Sus scrofa]" 78.13 818 100.00 100.00 4.70e-06 GB AAB59460 "Na/H antiporter [Homo sapiens]" 78.13 815 100.00 100.00 5.26e-06 GB AAC60606 "Na+/H+ exchanger NHE-1 isoform [Homo sapiens]" 78.13 815 100.00 100.00 6.37e-06 GB AAF21350 "sodium/hydrogen exchanger isoform 1 [Homo sapiens]" 78.13 815 100.00 100.00 6.37e-06 REF NP_001007104 "sodium/hydrogen exchanger 1 [Sus scrofa]" 78.13 818 100.00 100.00 4.70e-06 REF NP_001038108 "sodium/hydrogen exchanger 1 precursor [Gallus gallus]" 75.00 803 100.00 100.00 3.08e-05 REF NP_001081553 "solute carrier family 9, subfamily A (NHE1, cation proton antiporter 1), member 1 [Xenopus laevis]" 75.00 781 100.00 100.00 4.22e-05 REF NP_001095191 "sodium/hydrogen exchanger 1 [Oryctolagus cuniculus]" 78.13 816 100.00 100.00 6.37e-06 REF NP_001273957 "sodium/hydrogen exchanger 1 [Canis lupus familiaris]" 78.13 816 100.00 100.00 6.02e-06 SP P19634 "RecName: Full=Sodium/hydrogen exchanger 1; AltName: Full=APNH; AltName: Full=Na(+)/H(+) antiporter, amiloride-sensitive; AltNam" 78.13 815 100.00 100.00 6.37e-06 SP P23791 "RecName: Full=Sodium/hydrogen exchanger 1; AltName: Full=Na(+)/H(+) exchanger 1; Short=NHE-1; AltName: Full=Solute carrier fami" 78.13 816 100.00 100.00 6.37e-06 SP P48762 "RecName: Full=Sodium/hydrogen exchanger 1; AltName: Full=Na(+)/H(+) exchanger 1; Short=NHE-1; AltName: Full=Solute carrier fami" 78.13 818 100.00 100.00 4.74e-06 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_ALY _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common N(6)-ACETYLLYSINE _BMRB_code ALY _PDB_code ALY _Standard_residue_derivative . _Molecular_mass 188.224 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons OH OH O . 0 . ? CH CH C . 0 . ? CH3 CH3 C . 0 . ? NZ NZ N . 0 . ? CE CE C . 0 . ? CD CD C . 0 . ? CG CG C . 0 . ? CB CB C . 0 . ? CA CA C . 0 . ? N N N . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? HH31 HH31 H . 0 . ? HH32 HH32 H . 0 . ? HH33 HH33 H . 0 . ? HZ HZ H . 0 . ? HE3 HE3 H . 0 . ? HE2 HE2 H . 0 . ? HD3 HD3 H . 0 . ? HD2 HD2 H . 0 . ? HG3 HG3 H . 0 . ? HG2 HG2 H . 0 . ? HB3 HB3 H . 0 . ? HB2 HB2 H . 0 . ? HCA HCA H . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HXT HXT 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 OH CH ? ? SING CH CH3 ? ? SING CH NZ ? ? SING CH3 HH31 ? ? SING CH3 HH32 ? ? SING CH3 HH33 ? ? SING NZ CE ? ? SING NZ HZ ? ? SING CE CD ? ? SING CE HE3 ? ? SING CE HE2 ? ? SING CD CG ? ? SING CD HD3 ? ? SING CD HD2 ? ? SING CG CB ? ? SING CG HG3 ? ? SING CG HG2 ? ? SING CB CA ? ? SING CB HB3 ? ? SING CB HB2 ? ? SING CA N ? ? SING CA C ? ? SING CA HCA ? ? SING N H ? ? SING N H2 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? stop_ save_ save_chem_comp_NH2 _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 'AMINO GROUP' _BMRB_code NH2 _PDB_code NH2 _Standard_residue_derivative . _Molecular_mass 16.023 _Mol_paramagnetic . _Details . 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_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic _Details $TM_VI Human 9606 Eukaryota Metazoa Homo sapiens NHE1 'residues 226-250 of NHE1' 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 $TM_VI 'chemical synthesis' . . . . . 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 $TM_VI 2 mM 'natural abundance' DSS 0.25 mM 'natural abundance' DPC 150 mM [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak assignment' 'peak picking' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_nmr500 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_nanuc800 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 5 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 0.00 internal direct . . . 1.000000000 $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_assignments_tm6 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D DQF-COSY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'TM VI' _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 1 223 1 ALY H H 8.237 0.02 1 2 223 1 ALY HCA H 4.225 0.02 1 3 223 1 ALY HB2 H 1.691 0.02 2 4 223 1 ALY HD2 H 1.763 0.02 2 5 223 1 ALY HG2 H 1.443 0.02 2 6 224 2 LYS H H 8.377 0.02 1 7 224 2 LYS HA H 4.276 0.02 1 8 224 2 LYS HB2 H 1.805 0.02 2 9 224 2 LYS HB3 H 1.743 0.02 2 10 224 2 LYS HD2 H 1.680 0.02 2 11 224 2 LYS HG2 H 1.440 0.02 2 12 224 2 LYS HG3 H 1.400 0.02 2 13 225 3 LYS H H 8.400 0.02 1 14 225 3 LYS HA H 4.278 0.02 1 15 225 3 LYS HB2 H 1.807 0.02 2 16 225 3 LYS HB3 H 1.739 0.02 2 17 225 3 LYS HD2 H 1.670 0.02 2 18 225 3 LYS HG2 H 1.430 0.02 2 19 225 3 LYS HG3 H 1.398 0.02 2 20 226 4 ASP H H 8.289 0.02 1 21 226 4 ASP HA H 4.557 0.02 1 22 226 4 ASP HB2 H 2.669 0.02 2 23 226 4 ASP HB3 H 2.605 0.02 2 24 227 5 ASN H H 8.372 0.02 1 25 227 5 ASN HA H 4.276 0.02 1 26 227 5 ASN HB2 H 2.816 0.02 2 27 227 5 ASN HB3 H 2.749 0.02 2 28 227 5 ASN HD21 H 7.706 0.02 2 29 227 5 ASN HD22 H 6.795 0.02 2 30 228 6 LEU H H 8.341 0.02 1 31 228 6 LEU HA H 4.268 0.02 1 32 228 6 LEU HB2 H 1.556 0.02 2 33 228 6 LEU HB3 H 1.683 0.02 2 34 228 6 LEU HD1 H 0.921 0.02 2 35 228 6 LEU HD2 H 0.862 0.02 2 36 228 6 LEU HG H 1.616 0.02 1 37 229 7 LEU H H 8.296 0.02 1 38 229 7 LEU HA H 4.203 0.02 1 39 229 7 LEU HB2 H 1.514 0.02 2 40 229 7 LEU HB3 H 1.607 0.02 2 41 229 7 LEU HD1 H 0.868 0.02 2 42 229 7 LEU HD2 H 0.815 0.02 2 43 229 7 LEU HG H 1.461 0.02 1 44 230 8 PHE H H 8.474 0.02 1 45 230 8 PHE HA H 4.363 0.02 1 46 230 8 PHE HB2 H 3.162 0.02 2 47 230 8 PHE HB3 H 3.136 0.02 2 48 230 8 PHE HD1 H 7.234 0.02 3 49 230 8 PHE HE1 H 7.251 0.02 3 50 230 8 PHE HZ H 7.175 0.02 1 51 231 9 GLY H H 8.495 0.02 1 52 231 9 GLY HA2 H 3.998 0.02 2 53 231 9 GLY HA3 H 3.781 0.02 2 54 232 10 SER H H 8.071 0.02 1 55 232 10 SER HA H 4.375 0.02 1 56 232 10 SER HB2 H 3.985 0.02 2 57 232 10 SER HB3 H 3.901 0.02 2 58 233 11 ILE H H 7.970 0.02 1 59 233 11 ILE HA H 3.918 0.02 1 60 233 11 ILE HB H 1.974 0.02 1 61 233 11 ILE HD1 H 0.852 0.02 1 62 233 11 ILE HG12 H 1.668 0.02 2 63 233 11 ILE HG13 H 1.163 0.02 2 64 233 11 ILE HG2 H 0.874 0.02 1 65 234 12 ILE H H 7.830 0.02 1 66 234 12 ILE HA H 3.933 0.02 1 67 234 12 ILE HB H 1.886 0.02 1 68 234 12 ILE HD1 H 0.805 0.02 1 69 234 12 ILE HG12 H 1.485 0.02 2 70 234 12 ILE HG13 H 1.204 0.02 2 71 234 12 ILE HG2 H 0.880 0.02 1 72 235 13 SER H H 7.735 0.02 1 73 235 13 SER HA H 4.306 0.02 1 74 235 13 SER HB2 H 3.952 0.02 2 75 235 13 SER HB3 H 3.911 0.02 2 76 236 14 ALA H H 7.664 0.02 1 77 236 14 ALA HA H 4.349 0.02 1 78 236 14 ALA HB H 1.470 0.02 1 79 237 15 VAL H H 7.444 0.02 1 80 237 15 VAL HA H 4.006 0.02 1 81 237 15 VAL HB H 2.084 0.02 1 82 237 15 VAL HG1 H 0.928 0.02 2 83 237 15 VAL HG2 H 0.825 0.02 2 84 238 16 ASP H H 8.241 0.02 1 85 238 16 ASP HA H 4.961 0.02 1 86 238 16 ASP HB2 H 2.967 0.02 2 87 238 16 ASP HB3 H 2.704 0.02 2 88 239 17 PRO HA H 4.074 0.02 1 89 239 17 PRO HB2 H 2.025 0.02 2 90 239 17 PRO HB3 H 1.967 0.02 2 91 239 17 PRO HD2 H 4.132 0.02 2 92 239 17 PRO HD3 H 4.117 0.02 2 93 239 17 PRO HG2 H 2.207 0.02 2 94 240 18 VAL H H 7.951 0.02 1 95 240 18 VAL HA H 3.607 0.02 1 96 240 18 VAL HB H 2.224 0.02 1 97 240 18 VAL HG1 H 1.050 0.02 2 98 240 18 VAL HG2 H 0.962 0.02 2 99 241 19 ALA H H 7.441 0.02 1 100 241 19 ALA HA H 4.213 0.02 1 101 241 19 ALA HB H 1.563 0.02 1 102 242 20 VAL H H 7.630 0.02 1 103 242 20 VAL HA H 3.517 0.02 1 104 242 20 VAL HB H 2.138 0.02 1 105 242 20 VAL HG1 H 0.984 0.02 2 106 242 20 VAL HG2 H 0.825 0.02 2 107 243 21 LEU H H 8.043 0.02 1 108 243 21 LEU HA H 4.048 0.02 1 109 243 21 LEU HB2 H 1.751 0.02 2 110 243 21 LEU HB3 H 1.829 0.02 2 111 243 21 LEU HD1 H 0.978 0.02 2 112 243 21 LEU HD2 H 0.922 0.02 2 113 243 21 LEU HG H 1.782 0.02 1 114 244 22 ALA H H 7.868 0.02 1 115 244 22 ALA HA H 4.194 0.02 1 116 244 22 ALA HB H 1.563 0.02 1 117 245 23 VAL H H 7.734 0.02 1 118 245 23 VAL HA H 3.771 0.02 1 119 245 23 VAL HB H 2.272 0.02 1 120 245 23 VAL HG1 H 1.113 0.02 2 121 245 23 VAL HG2 H 0.901 0.02 2 122 246 24 PHE H H 8.177 0.02 1 123 246 24 PHE HA H 4.179 0.02 1 124 246 24 PHE HB2 H 3.233 0.02 2 125 246 24 PHE HB3 H 3.206 0.02 2 126 246 24 PHE HD1 H 7.173 0.02 3 127 246 24 PHE HE1 H 7.115 0.02 3 128 246 24 PHE HZ H 6.972 0.02 1 129 247 25 GLU H H 8.677 0.02 1 130 247 25 GLU HA H 4.096 0.02 1 131 247 25 GLU HB2 H 2.241 0.02 2 132 247 25 GLU HB3 H 2.167 0.02 2 133 247 25 GLU HG2 H 2.626 0.02 2 134 247 25 GLU HG3 H 2.540 0.02 2 135 248 26 GLU H H 7.923 0.02 1 136 248 26 GLU HA H 4.148 0.02 1 137 248 26 GLU HB2 H 2.279 0.02 2 138 248 26 GLU HB3 H 2.183 0.02 2 139 248 26 GLU HG2 H 2.463 0.02 2 140 249 27 ILE H H 8.037 0.02 1 141 249 27 ILE HA H 3.723 0.02 1 142 249 27 ILE HB H 1.912 0.02 1 143 249 27 ILE HD1 H 0.792 0.02 1 144 249 27 ILE HG12 H 1.784 0.02 2 145 249 27 ILE HG13 H 1.114 0.02 2 146 249 27 ILE HG2 H 0.852 0.02 1 147 250 28 HIS H H 8.333 0.02 1 148 250 28 HIS HA H 4.332 0.02 1 149 250 28 HIS HB2 H 3.281 0.02 2 150 250 28 HIS HB3 H 2.905 0.02 2 151 250 28 HIS HD2 H 7.208 0.02 1 152 250 28 HIS HE1 H 8.586 0.02 1 153 251 29 LYS H H 7.948 0.02 1 154 251 29 LYS HA H 4.002 0.02 1 155 251 29 LYS HB2 H 1.870 0.02 2 156 251 29 LYS HD2 H 1.670 0.02 2 157 251 29 LYS HE2 H 2.958 0.02 2 158 251 29 LYS HG2 H 1.525 0.02 2 159 251 29 LYS HG3 H 1.411 0.02 2 160 252 30 LYS H H 7.913 0.02 1 161 252 30 LYS HA H 4.178 0.02 1 162 252 30 LYS HB2 H 1.865 0.02 2 163 252 30 LYS HD2 H 1.672 0.02 2 164 252 30 LYS HG2 H 1.509 0.02 2 165 253 31 LYS H H 8.118 0.02 1 166 253 31 LYS HA H 4.234 0.02 1 167 253 31 LYS HB2 H 1.861 0.02 2 168 253 31 LYS HB3 H 1.772 0.02 2 169 253 31 LYS HD2 H 1.671 0.02 2 170 253 31 LYS HG2 H 1.457 0.02 2 stop_ save_