data_18817 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR analysis of intact KCNE2 in detergent micelles demonstrate a straight transmembrane helix ; _BMRB_accession_number 18817 _BMRB_flat_file_name bmr18817.str _Entry_type original _Submission_date 2012-11-01 _Accession_date 2012-11-01 _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 Lai Chaohua . . 2 Li Pan . . 3 Chen Liu . . 4 Zhang Longhua . . 5 Wu Fangming . . 6 Tian Changlin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 127 "13C chemical shifts" 340 "15N chemical shifts" 104 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-07-01 update BMRB 'update entry citation' 2014-04-28 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Differential modulations of KCNQ1 by auxiliary proteins KCNE1 and KCNE2.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24827085 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Pan . . 2 Liu Haowen . . 3 Lai Chaohua . . 4 Sun Peibei . . 5 Zeng Wenping . . 6 Wu Fangming . . 7 Zhang Longhua . . 8 Wang Sheng . . 9 Tian Changlin . . 10 Ding Jiuping . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_name_full 'Scientific reports' _Journal_volume 4 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4973 _Page_last 4973 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name KCNE2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label KCNE2 $KCNE2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_KCNE2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common KCNE2 _Molecular_mass 14486.612 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; MSTLSNFTQTLEDVFRRIFI TYMDNWRQNTTAEQEALQAK VDAENFYYVILYLMVMIGMF SFIIVAILVSTVKSKRREHS NDPYHQYIVEDWQEKYKSQI LNLEESKATIHENIGAAGFK MSP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 THR 4 4 LEU 5 5 SER 6 6 ASN 7 7 PHE 8 8 THR 9 9 GLN 10 10 THR 11 11 LEU 12 12 GLU 13 13 ASP 14 14 VAL 15 15 PHE 16 16 ARG 17 17 ARG 18 18 ILE 19 19 PHE 20 20 ILE 21 21 THR 22 22 TYR 23 23 MET 24 24 ASP 25 25 ASN 26 26 TRP 27 27 ARG 28 28 GLN 29 29 ASN 30 30 THR 31 31 THR 32 32 ALA 33 33 GLU 34 34 GLN 35 35 GLU 36 36 ALA 37 37 LEU 38 38 GLN 39 39 ALA 40 40 LYS 41 41 VAL 42 42 ASP 43 43 ALA 44 44 GLU 45 45 ASN 46 46 PHE 47 47 TYR 48 48 TYR 49 49 VAL 50 50 ILE 51 51 LEU 52 52 TYR 53 53 LEU 54 54 MET 55 55 VAL 56 56 MET 57 57 ILE 58 58 GLY 59 59 MET 60 60 PHE 61 61 SER 62 62 PHE 63 63 ILE 64 64 ILE 65 65 VAL 66 66 ALA 67 67 ILE 68 68 LEU 69 69 VAL 70 70 SER 71 71 THR 72 72 VAL 73 73 LYS 74 74 SER 75 75 LYS 76 76 ARG 77 77 ARG 78 78 GLU 79 79 HIS 80 80 SER 81 81 ASN 82 82 ASP 83 83 PRO 84 84 TYR 85 85 HIS 86 86 GLN 87 87 TYR 88 88 ILE 89 89 VAL 90 90 GLU 91 91 ASP 92 92 TRP 93 93 GLN 94 94 GLU 95 95 LYS 96 96 TYR 97 97 LYS 98 98 SER 99 99 GLN 100 100 ILE 101 101 LEU 102 102 ASN 103 103 LEU 104 104 GLU 105 105 GLU 106 106 SER 107 107 LYS 108 108 ALA 109 109 THR 110 110 ILE 111 111 HIS 112 112 GLU 113 113 ASN 114 114 ILE 115 115 GLY 116 116 ALA 117 117 ALA 118 118 GLY 119 119 PHE 120 120 LYS 121 121 MET 122 122 SER 123 123 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 2M0Q "Solution Nmr Analysis Of Intact Kcne2 In Detergent Micelles Demonstrate A Straight Transmembrane Helix" 100.00 123 100.00 100.00 2.57e-85 DBJ BAI47314 "potassium voltage-gated channel, Isk-related family, member 2 [synthetic construct]" 100.00 123 100.00 100.00 2.57e-85 GB AAD28086 "minK-related peptide 1 [Homo sapiens]" 100.00 123 100.00 100.00 2.57e-85 GB AAG13416 "voltage-gated K+ channel subunit MIRP1 [Homo sapiens]" 100.00 123 100.00 100.00 2.57e-85 GB AAH93892 "Potassium voltage-gated channel, Isk-related family, member 2 [Homo sapiens]" 100.00 123 100.00 100.00 2.57e-85 GB AAI12088 "Potassium voltage-gated channel, Isk-related family, member 2 [Homo sapiens]" 100.00 123 100.00 100.00 2.57e-85 GB AAP72955 "MinK-related peptide 1 [Canis lupus familiaris]" 58.54 72 100.00 100.00 1.37e-43 REF NP_751951 "potassium voltage-gated channel subfamily E member 2 [Homo sapiens]" 100.00 123 100.00 100.00 2.57e-85 REF XP_001167300 "PREDICTED: potassium voltage-gated channel subfamily E member 2 [Pan troglodytes]" 100.00 123 99.19 100.00 6.23e-85 REF XP_002830704 "PREDICTED: potassium voltage-gated channel subfamily E member 2 [Pongo abelii]" 100.00 123 100.00 100.00 2.57e-85 REF XP_003263935 "PREDICTED: potassium voltage-gated channel subfamily E member 2 [Nomascus leucogenys]" 100.00 123 99.19 100.00 7.10e-85 REF XP_003824018 "PREDICTED: potassium voltage-gated channel subfamily E member 2 [Pan paniscus]" 100.00 123 99.19 100.00 6.23e-85 SP Q9Y6J6 "RecName: Full=Potassium voltage-gated channel subfamily E member 2; AltName: Full=MinK-related peptide 1; AltName: Full=Minimum" 100.00 123 100.00 100.00 2.57e-85 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 $KCNE2 Human 9606 Eukaryota Metazoa Homo sapiens KCNE2 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 $KCNE2 'recombinant technology' . Escherichia coli . pET21b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-labeled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KCNE2 1.0 mM [U-15N] H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ save_15N-13C-labeled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KCNE2 1.0 mM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ save_15N-13C-2H-labeled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KCNE2 1.0 mM '[U-13C; U-15N; U-2H]' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' 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' 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_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N-labeled save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N-13C-labeled save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N-13C-2H-labeled save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N-13C-2H-labeled save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $15N-13C-2H-labeled save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $15N-13C-2H-labeled save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N-13C-2H-labeled save_ save_3D_HN(CO)CACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $15N-13C-2H-labeled save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $15N-13C-labeled save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N-labeled 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' 50 . mM pH 6.0 . pH pressure 1 . atm temperature 308 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $15N-13C-2H-labeled $15N-13C-labeled stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name KCNE2 _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 2 2 SER C C 172.027 . 1 2 2 2 SER CA C 56.474 . 1 3 2 2 SER CB C 63.484 . 1 4 3 3 THR H H 8.964 . 1 5 3 3 THR C C 175.867 . 1 6 3 3 THR CA C 65.068 . 1 7 3 3 THR CB C 68.441 . 1 8 3 3 THR N N 119.004 . 1 9 4 4 LEU H H 8.487 . 1 10 4 4 LEU C C 178.886 . 1 11 4 4 LEU CA C 57.246 . 1 12 4 4 LEU CB C 40.645 . 1 13 4 4 LEU N N 121.518 . 1 14 5 5 SER H H 8.289 . 1 15 5 5 SER C C 176.676 . 1 16 5 5 SER CA C 60.827 . 1 17 5 5 SER CB C 61.776 . 1 18 5 5 SER N N 117.162 . 1 19 6 6 ASN H H 8.160 . 1 20 6 6 ASN HA H 4.230 . 1 21 6 6 ASN HB2 H 2.027 . 2 22 6 6 ASN HB3 H 1.931 . 2 23 6 6 ASN C C 177.833 . 1 24 6 6 ASN CA C 55.400 . 1 25 6 6 ASN CB C 37.348 . 1 26 6 6 ASN N N 122.387 . 1 27 7 7 PHE H H 8.254 . 1 28 7 7 PHE C C 177.171 . 1 29 7 7 PHE CA C 60.731 . 1 30 7 7 PHE CB C 38.693 . 1 31 7 7 PHE N N 121.724 . 1 32 8 8 THR H H 8.399 . 1 33 8 8 THR HA H 4.278 . 1 34 8 8 THR HG2 H 1.371 . 1 35 8 8 THR C C 176.016 . 1 36 8 8 THR CA C 66.400 . 1 37 8 8 THR CB C 67.084 . 1 38 8 8 THR N N 113.736 . 1 39 9 9 GLN H H 7.942 . 1 40 9 9 GLN C C 178.464 . 1 41 9 9 GLN CA C 58.448 . 1 42 9 9 GLN CB C 27.564 . 1 43 9 9 GLN N N 121.349 . 1 44 10 10 THR H H 7.767 . 1 45 10 10 THR HA H 4.278 . 1 46 10 10 THR HG2 H 1.371 . 1 47 10 10 THR C C 176.380 . 1 48 10 10 THR CA C 66.353 . 1 49 10 10 THR CB C 67.910 . 1 50 10 10 THR N N 117.451 . 1 51 11 11 LEU H H 7.958 . 1 52 11 11 LEU C C 178.255 . 1 53 11 11 LEU CA C 57.614 . 1 54 11 11 LEU CB C 40.574 . 1 55 11 11 LEU N N 121.448 . 1 56 12 12 GLU H H 8.206 . 1 57 12 12 GLU C C 177.809 . 1 58 12 12 GLU CA C 59.675 . 1 59 12 12 GLU CB C 27.358 . 1 60 12 12 GLU N N 117.911 . 1 61 13 13 ASP C C 178.880 . 1 62 13 13 ASP CA C 58.468 . 1 63 13 13 ASP CB C 40.613 . 1 64 14 14 VAL H H 8.943 . 1 65 14 14 VAL C C 177.885 . 1 66 14 14 VAL CA C 66.212 . 1 67 14 14 VAL CB C 30.614 . 1 68 14 14 VAL N N 118.703 . 1 69 15 15 PHE H H 8.379 . 1 70 15 15 PHE C C 177.542 . 1 71 15 15 PHE CA C 61.165 . 1 72 15 15 PHE CB C 37.723 . 1 73 15 15 PHE N N 118.897 . 1 74 16 16 ARG H H 8.455 . 1 75 16 16 ARG C C 177.852 . 1 76 16 16 ARG CA C 59.972 . 1 77 16 16 ARG CB C 29.491 . 1 78 16 16 ARG N N 119.285 . 1 79 17 17 ARG H H 7.816 . 1 80 17 17 ARG C C 179.606 . 1 81 17 17 ARG CA C 58.965 . 1 82 17 17 ARG CB C 29.220 . 1 83 17 17 ARG N N 117.721 . 1 84 18 18 ILE H H 8.180 . 1 85 18 18 ILE C C 177.115 . 1 86 18 18 ILE CA C 64.570 . 1 87 18 18 ILE CB C 37.150 . 1 88 18 18 ILE N N 121.097 . 1 89 19 19 PHE H H 8.407 . 1 90 19 19 PHE C C 177.154 . 1 91 19 19 PHE CA C 61.665 . 1 92 19 19 PHE CB C 38.609 . 1 93 19 19 PHE N N 120.545 . 1 94 20 20 ILE H H 8.350 . 1 95 20 20 ILE C C 177.915 . 1 96 20 20 ILE CA C 63.965 . 1 97 20 20 ILE CB C 36.828 . 1 98 20 20 ILE N N 118.206 . 1 99 21 21 THR H H 7.692 . 1 100 21 21 THR C C 176.419 . 1 101 21 21 THR CA C 66.069 . 1 102 21 21 THR CB C 68.168 . 1 103 21 21 THR N N 116.423 . 1 104 22 22 TYR H H 8.028 . 1 105 22 22 TYR C C 177.398 . 1 106 22 22 TYR CA C 60.953 . 1 107 22 22 TYR CB C 37.643 . 1 108 22 22 TYR N N 121.108 . 1 109 23 23 MET H H 8.135 . 1 110 23 23 MET C C 178.156 . 1 111 23 23 MET CA C 57.078 . 1 112 23 23 MET CB C 30.583 . 1 113 23 23 MET N N 118.337 . 1 114 24 24 ASP H H 8.208 . 1 115 24 24 ASP C C 177.682 . 1 116 24 24 ASP CA C 56.222 . 1 117 24 24 ASP CB C 39.820 . 1 118 24 24 ASP N N 118.883 . 1 119 25 25 ASN H H 7.746 . 1 120 25 25 ASN C C 176.452 . 1 121 25 25 ASN CA C 54.859 . 1 122 25 25 ASN CB C 38.679 . 1 123 25 25 ASN N N 116.989 . 1 124 26 26 TRP H H 7.951 . 1 125 26 26 TRP C C 177.694 . 1 126 26 26 TRP CA C 58.922 . 1 127 26 26 TRP CB C 28.772 . 1 128 26 26 TRP N N 120.811 . 1 129 27 27 ARG H H 7.971 . 1 130 27 27 ARG C C 177.355 . 1 131 27 27 ARG CA C 57.844 . 1 132 27 27 ARG CB C 29.249 . 1 133 27 27 ARG N N 119.926 . 1 134 28 28 GLN H H 7.868 . 1 135 28 28 GLN C C 176.547 . 1 136 28 28 GLN CA C 56.751 . 1 137 28 28 GLN CB C 28.167 . 1 138 28 28 GLN N N 118.022 . 1 139 29 29 ASN H H 7.915 . 1 140 29 29 ASN C C 175.576 . 1 141 29 29 ASN CA C 53.311 . 1 142 29 29 ASN CB C 38.530 . 1 143 29 29 ASN N N 118.257 . 1 144 30 30 THR H H 7.840 . 1 145 30 30 THR HA H 4.348 . 1 146 30 30 THR HB H 4.206 . 1 147 30 30 THR C C 175.453 . 1 148 30 30 THR CA C 62.528 . 1 149 30 30 THR CB C 69.103 . 1 150 30 30 THR N N 113.464 . 1 151 31 31 THR H H 7.955 . 1 152 31 31 THR C C 175.450 . 1 153 31 31 THR CA C 63.705 . 1 154 31 31 THR CB C 69.132 . 1 155 31 31 THR N N 116.868 . 1 156 32 32 ALA H H 8.226 . 1 157 32 32 ALA C C 179.686 . 1 158 32 32 ALA CA C 53.748 . 1 159 32 32 ALA CB C 17.669 . 1 160 32 32 ALA N N 124.803 . 1 161 33 33 GLU H H 8.153 . 1 162 33 33 GLU C C 177.525 . 1 163 33 33 GLU CA C 58.026 . 1 164 33 33 GLU CB C 27.793 . 1 165 33 33 GLU N N 118.847 . 1 166 34 34 GLN H H 8.109 . 1 167 34 34 GLN C C 177.628 . 1 168 34 34 GLN CA C 57.976 . 1 169 34 34 GLN CB C 27.786 . 1 170 34 34 GLN N N 119.840 . 1 171 35 35 GLU H H 8.170 . 1 172 35 35 GLU C C 178.149 . 1 173 35 35 GLU CA C 58.160 . 1 174 35 35 GLU CB C 28.337 . 1 175 35 35 GLU N N 119.894 . 1 176 36 36 ALA H H 7.884 . 1 177 36 36 ALA C C 179.303 . 1 178 36 36 ALA CA C 53.615 . 1 179 36 36 ALA CB C 17.788 . 1 180 36 36 ALA N N 123.045 . 1 181 37 37 LEU H H 7.907 . 1 182 37 37 LEU C C 178.226 . 1 183 37 37 LEU CA C 56.671 . 1 184 37 37 LEU CB C 40.965 . 1 185 37 37 LEU N N 119.469 . 1 186 38 38 GLN H H 8.097 . 1 187 38 38 GLN C C 176.775 . 1 188 38 38 GLN CA C 57.420 . 1 189 38 38 GLN CB C 28.042 . 1 190 38 38 GLN N N 118.655 . 1 191 39 39 ALA H H 7.724 . 1 192 39 39 ALA C C 178.516 . 1 193 39 39 ALA CA C 53.221 . 1 194 39 39 ALA CB C 18.032 . 1 195 39 39 ALA N N 121.284 . 1 196 40 40 LYS H H 7.702 . 1 197 40 40 LYS C C 176.835 . 1 198 40 40 LYS CA C 56.436 . 1 199 40 40 LYS CB C 32.005 . 1 200 40 40 LYS N N 118.343 . 1 201 41 41 VAL H H 7.723 . 1 202 41 41 VAL C C 175.383 . 1 203 41 41 VAL CA C 62.305 . 1 204 41 41 VAL CB C 31.695 . 1 205 41 41 VAL N N 118.825 . 1 206 42 42 ASP H H 8.229 . 1 207 42 42 ASP HA H 4.323 . 1 208 42 42 ASP HB2 H 2.094 . 2 209 42 42 ASP HB3 H 1.979 . 2 210 42 42 ASP C C 176.128 . 1 211 42 42 ASP CA C 53.641 . 1 212 42 42 ASP CB C 40.281 . 1 213 42 42 ASP N N 122.980 . 1 214 43 43 ALA H H 8.095 . 1 215 43 43 ALA C C 178.308 . 1 216 43 43 ALA CA C 53.366 . 1 217 43 43 ALA CB C 18.215 . 1 218 43 43 ALA N N 123.146 . 1 219 44 44 GLU H H 8.173 . 1 220 44 44 GLU C C 176.974 . 1 221 44 44 GLU CA C 57.011 . 1 222 44 44 GLU CB C 28.434 . 1 223 44 44 GLU N N 117.625 . 1 224 45 45 ASN H H 8.059 . 1 225 45 45 ASN C C 176.652 . 1 226 45 45 ASN CA C 53.544 . 1 227 45 45 ASN CB C 38.334 . 1 228 45 45 ASN N N 117.214 . 1 229 46 46 PHE H H 8.163 . 1 230 46 46 PHE C C 176.975 . 1 231 46 46 PHE CA C 60.113 . 1 232 46 46 PHE CB C 38.290 . 1 233 46 46 PHE N N 120.987 . 1 234 47 47 TYR H H 7.417 . 1 235 47 47 TYR C C 176.063 . 1 236 47 47 TYR CA C 60.569 . 1 237 47 47 TYR CB C 36.886 . 1 238 47 47 TYR N N 116.519 . 1 239 48 48 TYR H H 7.417 . 1 240 48 48 TYR C C 177.063 . 1 241 48 48 TYR CA C 60.569 . 1 242 48 48 TYR CB C 36.886 . 1 243 48 48 TYR N N 116.519 . 1 244 49 49 VAL H H 7.439 . 1 245 49 49 VAL C C 177.154 . 1 246 49 49 VAL CA C 66.194 . 1 247 49 49 VAL CB C 30.389 . 1 248 49 49 VAL N N 118.292 . 1 249 50 50 ILE H H 7.491 . 1 250 50 50 ILE C C 177.307 . 1 251 50 50 ILE CA C 63.876 . 1 252 50 50 ILE CB C 35.725 . 1 253 50 50 ILE N N 117.581 . 1 254 51 51 LEU H H 7.699 . 1 255 51 51 LEU C C 178.335 . 1 256 51 51 LEU CA C 58.042 . 1 257 51 51 LEU CB C 40.550 . 1 258 51 51 LEU N N 120.363 . 1 259 53 53 LEU C C 178.638 . 1 260 53 53 LEU CA C 57.795 . 1 261 53 53 LEU CB C 40.796 . 1 262 54 54 MET H H 8.396 . 1 263 54 54 MET C C 178.471 . 1 264 54 54 MET CA C 58.432 . 1 265 54 54 MET CB C 31.395 . 1 266 54 54 MET N N 117.957 . 1 267 56 56 MET C C 177.895 . 1 268 56 56 MET CA C 58.793 . 1 269 57 57 ILE H H 8.556 . 1 270 57 57 ILE C C 179.504 . 1 271 57 57 ILE CA C 64.890 . 1 272 57 57 ILE CB C 36.497 . 1 273 57 57 ILE N N 119.111 . 1 274 58 58 GLY H H 8.745 . 1 275 58 58 GLY C C 174.211 . 1 276 58 58 GLY CA C 47.038 . 1 277 58 58 GLY N N 111.097 . 1 278 59 59 MET H H 8.612 . 1 279 59 59 MET C C 178.075 . 1 280 59 59 MET CA C 58.763 . 1 281 59 59 MET CB C 32.415 . 1 282 59 59 MET N N 120.903 . 1 283 60 60 PHE H H 8.495 . 1 284 60 60 PHE C C 177.292 . 1 285 60 60 PHE CA C 60.486 . 1 286 60 60 PHE CB C 38.213 . 1 287 60 60 PHE N N 117.888 . 1 288 61 61 SER H H 8.338 . 1 289 61 61 SER C C 175.141 . 1 290 61 61 SER CA C 63.198 . 1 291 61 61 SER CB C 62.050 . 1 292 61 61 SER N N 115.530 . 1 293 62 62 PHE H H 8.077 . 1 294 62 62 PHE C C 176.761 . 1 295 62 62 PHE CA C 60.791 . 1 296 62 62 PHE CB C 38.124 . 1 297 62 62 PHE N N 121.237 . 1 298 64 64 ILE H H 7.956 . 1 299 64 64 ILE C C 177.805 . 1 300 64 64 ILE CA C 64.465 . 1 301 64 64 ILE CB C 35.984 . 1 302 64 64 ILE N N 118.608 . 1 303 65 65 VAL H H 8.137 . 1 304 65 65 VAL C C 177.045 . 1 305 65 65 VAL CA C 66.773 . 1 306 65 65 VAL CB C 30.099 . 1 307 65 65 VAL N N 119.395 . 1 308 67 67 ILE C C 179.153 . 1 309 67 67 ILE CA C 64.933 . 1 310 67 67 ILE CB C 36.977 . 1 311 68 68 LEU H H 8.540 . 1 312 68 68 LEU HA H 4.301 . 1 313 68 68 LEU HB2 H 1.370 . 2 314 68 68 LEU CA C 58.529 . 1 315 68 68 LEU CB C 40.768 . 1 316 68 68 LEU N N 123.998 . 1 317 69 69 VAL H H 8.173 . 1 318 69 69 VAL C C 177.859 . 1 319 69 69 VAL CA C 65.949 . 1 320 69 69 VAL CB C 30.847 . 1 321 69 69 VAL N N 120.584 . 1 322 70 70 SER H H 7.898 . 1 323 70 70 SER CA C 61.630 . 1 324 70 70 SER CB C 62.527 . 1 325 70 70 SER N N 114.121 . 1 326 71 71 THR HA H 4.300 . 1 327 71 71 THR C C 176.381 . 1 328 71 71 THR CA C 65.981 . 1 329 71 71 THR CB C 68.416 . 1 330 72 72 VAL H H 8.092 . 1 331 72 72 VAL C C 177.791 . 1 332 72 72 VAL CA C 65.532 . 1 333 72 72 VAL CB C 30.882 . 1 334 72 72 VAL N N 121.958 . 1 335 73 73 LYS C C 178.310 . 1 336 73 73 LYS CA C 58.279 . 1 337 73 73 LYS CB C 31.350 . 1 338 74 74 SER H H 7.816 . 1 339 74 74 SER C C 175.895 . 1 340 74 74 SER CA C 59.979 . 1 341 74 74 SER CB C 62.823 . 1 342 74 74 SER N N 114.589 . 1 343 75 75 LYS H H 7.964 . 1 344 75 75 LYS C C 177.649 . 1 345 75 75 LYS CA C 56.892 . 1 346 75 75 LYS CB C 31.263 . 1 347 75 75 LYS N N 121.984 . 1 348 76 76 ARG H H 7.909 . 1 349 76 76 ARG C C 177.010 . 1 350 76 76 ARG CA C 56.671 . 1 351 76 76 ARG CB C 29.471 . 1 352 76 76 ARG N N 119.656 . 1 353 77 77 ARG H H 7.860 . 1 354 77 77 ARG C C 176.633 . 1 355 77 77 ARG CA C 56.355 . 1 356 77 77 ARG CB C 29.718 . 1 357 77 77 ARG N N 120.815 . 1 358 78 78 GLU H H 8.119 . 1 359 78 78 GLU C C 176.320 . 1 360 78 78 GLU CA C 56.368 . 1 361 78 78 GLU CB C 29.083 . 1 362 78 78 GLU N N 120.635 . 1 363 79 79 HIS H H 8.042 . 1 364 79 79 HIS C C 174.583 . 1 365 79 79 HIS CA C 54.918 . 1 366 79 79 HIS CB C 28.249 . 1 367 79 79 HIS N N 117.659 . 1 368 80 80 SER H H 8.151 . 1 369 80 80 SER C C 174.323 . 1 370 80 80 SER CA C 58.377 . 1 371 80 80 SER CB C 63.113 . 1 372 80 80 SER N N 116.920 . 1 373 81 81 ASN H H 8.411 . 1 374 81 81 ASN C C 174.436 . 1 375 81 81 ASN CA C 52.945 . 1 376 81 81 ASN CB C 38.324 . 1 377 81 81 ASN N N 120.963 . 1 378 83 83 PRO C C 176.072 . 1 379 83 83 PRO CA C 62.420 . 1 380 83 83 PRO CB C 33.212 . 1 381 84 84 TYR H H 8.487 . 1 382 84 84 TYR C C 176.670 . 1 383 84 84 TYR CA C 55.352 . 1 384 84 84 TYR CB C 40.958 . 1 385 84 84 TYR N N 124.146 . 1 386 86 86 GLN C C 177.884 . 1 387 86 86 GLN CA C 59.593 . 1 388 86 86 GLN CB C 27.335 . 1 389 87 87 TYR H H 7.981 . 1 390 87 87 TYR C C 178.922 . 1 391 87 87 TYR CA C 57.225 . 1 392 87 87 TYR CB C 40.155 . 1 393 87 87 TYR N N 119.339 . 1 394 88 88 ILE C C 175.951 . 1 395 89 89 VAL H H 7.397 . 1 396 89 89 VAL C C 177.806 . 1 397 89 89 VAL CA C 63.289 . 1 398 89 89 VAL CB C 31.247 . 1 399 89 89 VAL N N 119.921 . 1 400 90 90 GLU H H 8.111 . 1 401 90 90 GLU C C 178.316 . 1 402 90 90 GLU CA C 58.285 . 1 403 90 90 GLU CB C 31.270 . 1 404 90 90 GLU N N 119.266 . 1 405 91 91 ASP C C 177.542 . 1 406 91 91 ASP CA C 56.637 . 1 407 91 91 ASP CB C 38.852 . 1 408 92 92 TRP H H 7.852 . 1 409 92 92 TRP C C 177.384 . 1 410 92 92 TRP CA C 59.510 . 1 411 92 92 TRP CB C 27.817 . 1 412 92 92 TRP N N 120.874 . 1 413 93 93 GLN H H 8.010 . 1 414 93 93 GLN C C 177.653 . 1 415 93 93 GLN CA C 58.991 . 1 416 93 93 GLN CB C 27.205 . 1 417 93 93 GLN N N 119.478 . 1 418 94 94 GLU H H 7.589 . 1 419 94 94 GLU C C 178.798 . 1 420 94 94 GLU CA C 57.794 . 1 421 94 94 GLU CB C 28.816 . 1 422 94 94 GLU N N 117.531 . 1 423 95 95 LYS H H 7.832 . 1 424 95 95 LYS C C 178.416 . 1 425 95 95 LYS CA C 58.576 . 1 426 95 95 LYS CB C 32.120 . 1 427 95 95 LYS N N 119.905 . 1 428 96 96 TYR H H 7.916 . 1 429 96 96 TYR C C 176.535 . 1 430 96 96 TYR CA C 58.804 . 1 431 96 96 TYR CB C 37.106 . 1 432 96 96 TYR N N 117.063 . 1 433 97 97 LYS H H 7.610 . 1 434 97 97 LYS C C 178.281 . 1 435 97 97 LYS CA C 59.605 . 1 436 97 97 LYS CB C 31.265 . 1 437 97 97 LYS N N 120.781 . 1 438 98 98 SER H H 8.180 . 1 439 98 98 SER C C 176.355 . 1 440 98 98 SER CA C 60.840 . 1 441 98 98 SER CB C 61.944 . 1 442 98 98 SER N N 113.319 . 1 443 99 99 GLN H H 7.822 . 1 444 99 99 GLN C C 178.134 . 1 445 99 99 GLN CA C 58.234 . 1 446 99 99 GLN CB C 27.521 . 1 447 99 99 GLN N N 121.218 . 1 448 100 100 ILE H H 7.992 . 1 449 100 100 ILE C C 177.443 . 1 450 100 100 ILE CA C 63.808 . 1 451 100 100 ILE CB C 36.622 . 1 452 100 100 ILE N N 119.936 . 1 453 101 101 LEU H H 7.861 . 1 454 101 101 LEU C C 178.913 . 1 455 101 101 LEU CA C 56.911 . 1 456 101 101 LEU CB C 40.296 . 1 457 101 101 LEU N N 120.350 . 1 458 102 102 ASN H H 7.767 . 1 459 102 102 ASN C C 177.647 . 1 460 102 102 ASN CA C 54.937 . 1 461 102 102 ASN CB C 37.917 . 1 462 102 102 ASN N N 117.859 . 1 463 103 103 LEU H H 8.021 . 1 464 103 103 LEU C C 178.656 . 1 465 103 103 LEU CA C 57.339 . 1 466 103 103 LEU CB C 40.726 . 1 467 103 103 LEU N N 122.625 . 1 468 104 104 GLU H H 8.267 . 1 469 104 104 GLU C C 178.825 . 1 470 104 104 GLU CA C 58.665 . 1 471 104 104 GLU CB C 27.791 . 1 472 104 104 GLU N N 118.900 . 1 473 105 105 GLU H H 8.079 . 1 474 105 105 GLU C C 178.532 . 1 475 105 105 GLU CA C 57.823 . 1 476 105 105 GLU CB C 28.159 . 1 477 105 105 GLU N N 119.025 . 1 478 106 106 SER H H 7.942 . 1 479 106 106 SER C C 175.406 . 1 480 106 106 SER CA C 60.134 . 1 481 106 106 SER CB C 62.748 . 1 482 106 106 SER N N 116.209 . 1 483 107 107 LYS H H 7.917 . 1 484 107 107 LYS C C 177.217 . 1 485 107 107 LYS CA C 59.017 . 1 486 107 107 LYS CB C 31.428 . 1 487 107 107 LYS N N 121.873 . 1 488 108 108 ALA H H 7.956 . 1 489 108 108 ALA C C 179.577 . 1 490 108 108 ALA CA C 54.338 . 1 491 108 108 ALA CB C 17.570 . 1 492 108 108 ALA N N 121.920 . 1 493 109 109 THR H H 7.844 . 1 494 109 109 THR C C 176.373 . 1 495 109 109 THR CA C 64.381 . 1 496 109 109 THR CB C 68.652 . 1 497 109 109 THR N N 114.512 . 1 498 110 110 ILE H H 8.000 . 1 499 110 110 ILE C C 177.059 . 1 500 110 110 ILE CA C 64.071 . 1 501 110 110 ILE CB C 36.915 . 1 502 110 110 ILE N N 122.486 . 1 503 111 111 HIS H H 8.324 . 1 504 111 111 HIS C C 176.567 . 1 505 111 111 HIS CA C 58.118 . 1 506 111 111 HIS CB C 28.153 . 1 507 111 111 HIS N N 118.524 . 1 508 112 112 GLU H H 8.110 . 1 509 112 112 GLU C C 177.683 . 1 510 112 112 GLU CA C 57.625 . 1 511 112 112 GLU CB C 28.429 . 1 512 112 112 GLU N N 118.814 . 1 513 113 113 ASN H H 7.982 . 1 514 113 113 ASN C C 176.404 . 1 515 113 113 ASN CA C 54.713 . 1 516 113 113 ASN CB C 38.811 . 1 517 113 113 ASN N N 117.915 . 1 518 114 114 ILE H H 8.041 . 1 519 114 114 ILE C C 177.039 . 1 520 114 114 ILE CA C 63.324 . 1 521 114 114 ILE CB C 37.055 . 1 522 114 114 ILE N N 119.971 . 1 523 115 115 GLY H H 7.977 . 1 524 115 115 GLY C C 175.204 . 1 525 115 115 GLY CA C 45.868 . 1 526 115 115 GLY N N 108.864 . 1 527 116 116 ALA H H 7.818 . 1 528 116 116 ALA HA H 4.254 . 1 529 116 116 ALA HB H 1.463 . 1 530 116 116 ALA C C 178.382 . 1 531 116 116 ALA CA C 52.974 . 1 532 116 116 ALA CB C 18.106 . 1 533 116 116 ALA N N 123.570 . 1 534 117 117 ALA H H 7.766 . 1 535 117 117 ALA C C 178.099 . 1 536 117 117 ALA CA C 52.818 . 1 537 117 117 ALA CB C 18.130 . 1 538 117 117 ALA N N 120.751 . 1 539 118 118 GLY H H 7.885 . 1 540 118 118 GLY C C 174.144 . 1 541 118 118 GLY CA C 45.505 . 1 542 118 118 GLY N N 105.627 . 1 543 119 119 PHE H H 7.730 . 1 544 119 119 PHE HA H 4.542 . 1 545 119 119 PHE HB2 H 3.094 . 2 546 119 119 PHE HB3 H 3.009 . 2 547 119 119 PHE C C 175.543 . 1 548 119 119 PHE CA C 57.858 . 1 549 119 119 PHE CB C 38.866 . 1 550 119 119 PHE N N 119.825 . 1 551 120 120 LYS H H 7.897 . 1 552 120 120 LYS C C 175.748 . 1 553 120 120 LYS CA C 55.644 . 1 554 120 120 LYS CB C 32.442 . 1 555 120 120 LYS N N 122.164 . 1 556 121 121 MET H H 7.937 . 1 557 121 121 MET HA H 4.481 . 1 558 121 121 MET HB2 H 2.074 . 2 559 121 121 MET HB3 H 1.981 . 2 560 121 121 MET C C 175.641 . 1 561 121 121 MET CA C 54.851 . 1 562 121 121 MET CB C 32.855 . 1 563 121 121 MET N N 119.305 . 1 564 122 122 SER H H 8.052 . 1 565 122 122 SER C C 173.619 . 1 566 122 122 SER CA C 57.625 . 1 567 122 122 SER CB C 62.847 . 1 568 122 122 SER N N 117.184 . 1 569 123 123 PRO C C 176.889 . 1 570 123 123 PRO CA C 63.943 . 1 571 123 123 PRO CB C 31.150 . 1 stop_ save_