data_18302 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18302 _Entry.Title ; Solution structure of the calcium-bound CaM N-terminal domain in a complex. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-29 _Entry.Accession_date 2012-02-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Zhihong Liu . . . 18302 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18302 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Calmodulin . 18302 NSCaTE . 18302 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18302 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 364 18302 '15N chemical shifts' 95 18302 '1H chemical shifts' 447 18302 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-06-14 2012-02-29 update BMRB 'update entry citation' 18302 1 . . 2012-06-04 2012-02-29 original author 'original release' 18302 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LQC 'BMRB Entry Tracking System' 18302 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18302 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22518098 _Citation.Full_citation . _Citation.Title 'Structural basis for the regulation of L-type voltage-gated calcium channels: interactions between the N-terminal cytoplasmic domain and Ca(2+)-calmodulin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Front. Mol. Neurosci.' _Citation.Journal_name_full 'Frontiers in molecular neuroscience' _Citation.Journal_volume 5 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 38 _Citation.Page_last 38 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Zhihong Liu . . . 18302 1 2 Hans Vogel . J. . 18302 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18302 _Assembly.ID 1 _Assembly.Name 'calcium-bound CaM N-terminal domain in a complex' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CaM N-terminal domain' 1 $entity A . yes native no no . . . 18302 1 2 'NSCaTE peptide' 2 $entity_2 B . yes native no no . . . 18302 1 3 'Calcium ion, 1' 3 $entity_CA C . no native no no . . . 18302 1 4 'Calcium ion, 2' 3 $entity_CA D . no native no no . . . 18302 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordinate single . 1 . 1 ASP 24 24 OD2 . 3 . 3 CA 1 1 CA . . . . . . . . . . 18302 1 2 coordinate single . 1 . 1 GLU 31 31 OE1 . 3 . 3 CA 1 1 CA . . . . . . . . . . 18302 1 3 coordinate single . 1 . 1 THR 26 26 O . 3 . 3 CA 1 1 CA . . . . . . . . . . 18302 1 4 coordinate single . 1 . 1 ASP 64 64 OD2 . 4 . 3 CA 1 1 CA . . . . . . . . . . 18302 1 5 coordinate single . 1 . 1 THR 62 62 O . 4 . 3 CA 1 1 CA . . . . . . . . . . 18302 1 6 coordinate single . 1 . 1 THR 28 28 OG1 . 3 . 3 CA 1 1 CA . . . . . . . . . . 18302 1 7 coordinate single . 1 . 1 ASP 22 22 OD1 . 3 . 3 CA 1 1 CA . . . . . . . . . . 18302 1 8 coordinate single . 1 . 1 THR 26 26 OG1 . 3 . 3 CA 1 1 CA . . . . . . . . . . 18302 1 9 coordinate single . 1 . 1 GLU 31 31 OE2 . 3 . 3 CA 1 1 CA . . . . . . . . . . 18302 1 10 coordinate single . 1 . 1 ASP 24 24 OD1 . 3 . 3 CA 1 1 CA . . . . . . . . . . 18302 1 11 coordinate single . 1 . 1 ASP 22 22 OD2 . 3 . 3 CA 1 1 CA . . . . . . . . . . 18302 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18302 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CaM N-terminal domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8583.593 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18082 . "Calmodulin N-Lobe" . . . . . 100.00 80 100.00 100.00 2.08e-46 . . . . 18302 1 2 no BMRB 4174 . "N-terminal domain of calmodulin" . . . . . 100.00 81 100.00 100.00 2.05e-46 . . . . 18302 1 3 no PDB 1AK8 . "Nmr Solution Structure Of Cerium-Loaded Calmodulin Amino- Terminal Domain (Ce2-Tr1c), 23 Structures" . . . . . 97.40 76 100.00 100.00 6.28e-45 . . . . 18302 1 4 no PDB 1F70 . "Refined Solution Structure Of Calmodulin N-Terminal Domain" . . . . . 98.70 76 100.00 100.00 9.34e-46 . . . . 18302 1 5 no PDB 1J7O . "Solution Structure Of Calcium-calmodulin N-terminal Domain" . . . . . 97.40 76 100.00 100.00 5.39e-45 . . . . 18302 1 6 no PDB 1SW8 . "Solution Structure Of The N-Terminal Domain Of Human N60d Calmodulin Refined With Paramagnetism Based Strategy" . . . . . 100.00 79 98.70 100.00 1.33e-45 . . . . 18302 1 7 no PDB 2KUG . "Halothane Binds To Druggable Sites In Calcium-calmodulin: Solution Structure Of Halothane-cam N-terminal Domain" . . . . . 98.70 76 100.00 100.00 9.34e-46 . . . . 18302 1 8 no PDB 2LLO . "Solution Nmr-derived Structure Of Calmodulin N-lobe Bound With Er Alpha Peptide" . . . . . 100.00 80 100.00 100.00 2.08e-46 . . . . 18302 1 9 no PDB 2LQC . "Nmr Solution Structure Of A Ca2+-Calmodulin With A Binding Motif (Nscate) Peptide From The N-Terminal Cytoplasmic Domain Of The" . . . . . 100.00 77 100.00 100.00 1.58e-46 . . . . 18302 1 10 no PDB 2PQ3 . "N-Terminal Calmodulin Zn-Trapped Intermediate" . . . . . 98.70 76 100.00 100.00 9.34e-46 . . . . 18302 1 11 no PDB 3B32 . "Crystal Structure Of Calcium-Saturated Calmodulin N-Terminal Domain Fragment, Residues 1-75" . . . . . 97.40 75 100.00 100.00 6.11e-45 . . . . 18302 1 12 no PDB 3IFK . "Crystal Structure Of Calcium-Saturated Calmodulin N-Terminal Domain Fragment, Residues 1-90" . . . . . 100.00 90 100.00 100.00 2.00e-46 . . . . 18302 1 13 no PDB 3UCT . "Structure Of Mn2+-Bound N-Terminal Domain Of Calmodulin In The Presence Of Zn2+" . . . . . 100.00 79 100.00 100.00 1.90e-46 . . . . 18302 1 14 no PDB 3UCW . "Structure Of Mg2+ Bound N-Terminal Domain Of Calmodulin" . . . . . 100.00 79 100.00 100.00 1.90e-46 . . . . 18302 1 15 no PDB 3UCY . "Structure Of Mg2+ Bound N-Terminal Domain Of Calmodulin In The Presence Of Zn2+" . . . . . 100.00 79 100.00 100.00 1.90e-46 . . . . 18302 1 16 no PDB 4Q57 . "Crystal Structure Of The Plectin 1a Actin-binding Domain/n-terminal Domain Of Calmodulin Complex" . . . . . 84.42 65 100.00 100.00 1.77e-37 . . . . 18302 1 17 no EMBL CAA29381 . "unnamed protein product [Drosophila melanogaster]" . . . . . 75.32 58 100.00 100.00 2.74e-31 . . . . 18302 1 18 no EMBL CAB65357 . "putative calmodulin [Phallusia mammillata]" . . . . . 61.04 71 100.00 100.00 3.40e-24 . . . . 18302 1 19 no EMBL CCD82979 . "putative calmodulin [Schistosoma mansoni]" . . . . . 100.00 154 100.00 100.00 8.94e-46 . . . . 18302 1 20 no EMBL CUA69889 . "Calmodulin [Rhizoctonia solani]" . . . . . 100.00 137 97.40 100.00 2.53e-45 . . . . 18302 1 21 no GB AAH53790 . "Cam protein, partial [Xenopus laevis]" . . . . . 100.00 143 100.00 100.00 4.16e-48 . . . . 18302 1 22 no GB ABW89042 . "calmodulin, partial [Helianthus annuus]" . . . . . 50.65 39 97.44 97.44 7.27e-17 . . . . 18302 1 23 no GB ABW89043 . "calmodulin, partial [Helianthus annuus]" . . . . . 50.65 39 97.44 97.44 7.27e-17 . . . . 18302 1 24 no GB ABW89044 . "calmodulin, partial [Helianthus annuus]" . . . . . 50.65 39 97.44 97.44 7.27e-17 . . . . 18302 1 25 no GB ABW89045 . "calmodulin, partial [Helianthus annuus]" . . . . . 50.65 39 97.44 97.44 7.27e-17 . . . . 18302 1 26 no REF XP_001869424 . "calmodulin [Culex quinquefasciatus]" . . . . . 76.62 110 100.00 100.00 7.01e-32 . . . . 18302 1 27 no REF XP_001995129 . "GH22800 [Drosophila grimshawi]" . . . . . 100.00 122 100.00 100.00 3.71e-46 . . . . 18302 1 28 no REF XP_002772218 . "calmodulin, putative [Perkinsus marinus ATCC 50983]" . . . . . 79.22 85 100.00 100.00 2.83e-34 . . . . 18302 1 29 no REF XP_006032607 . "PREDICTED: probable calcium-binding protein CML28 [Alligator sinensis]" . . . . . 62.34 144 97.92 100.00 8.72e-24 . . . . 18302 1 30 no REF XP_006137175 . "PREDICTED: neo-calmodulin-like, partial [Pelodiscus sinensis]" . . . . . 85.71 80 100.00 100.00 1.17e-38 . . . . 18302 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 18302 1 2 . ASP . 18302 1 3 . GLN . 18302 1 4 . LEU . 18302 1 5 . THR . 18302 1 6 . GLU . 18302 1 7 . GLU . 18302 1 8 . GLN . 18302 1 9 . ILE . 18302 1 10 . ALA . 18302 1 11 . GLU . 18302 1 12 . PHE . 18302 1 13 . LYS . 18302 1 14 . GLU . 18302 1 15 . ALA . 18302 1 16 . PHE . 18302 1 17 . SER . 18302 1 18 . LEU . 18302 1 19 . PHE . 18302 1 20 . ASP . 18302 1 21 . LYS . 18302 1 22 . ASP . 18302 1 23 . GLY . 18302 1 24 . ASP . 18302 1 25 . GLY . 18302 1 26 . THR . 18302 1 27 . ILE . 18302 1 28 . THR . 18302 1 29 . THR . 18302 1 30 . LYS . 18302 1 31 . GLU . 18302 1 32 . LEU . 18302 1 33 . GLY . 18302 1 34 . THR . 18302 1 35 . VAL . 18302 1 36 . MET . 18302 1 37 . ARG . 18302 1 38 . SER . 18302 1 39 . LEU . 18302 1 40 . GLY . 18302 1 41 . GLN . 18302 1 42 . ASN . 18302 1 43 . PRO . 18302 1 44 . THR . 18302 1 45 . GLU . 18302 1 46 . ALA . 18302 1 47 . GLU . 18302 1 48 . LEU . 18302 1 49 . GLN . 18302 1 50 . ASP . 18302 1 51 . MET . 18302 1 52 . ILE . 18302 1 53 . ASN . 18302 1 54 . GLU . 18302 1 55 . VAL . 18302 1 56 . ASP . 18302 1 57 . ALA . 18302 1 58 . ASP . 18302 1 59 . GLY . 18302 1 60 . ASN . 18302 1 61 . GLY . 18302 1 62 . THR . 18302 1 63 . ILE . 18302 1 64 . ASP . 18302 1 65 . PHE . 18302 1 66 . PRO . 18302 1 67 . GLU . 18302 1 68 . PHE . 18302 1 69 . LEU . 18302 1 70 . THR . 18302 1 71 . MET . 18302 1 72 . MET . 18302 1 73 . ALA . 18302 1 74 . ARG . 18302 1 75 . LYS . 18302 1 76 . MET . 18302 1 77 . LYS . 18302 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 18302 1 . ASP 2 2 18302 1 . GLN 3 3 18302 1 . LEU 4 4 18302 1 . THR 5 5 18302 1 . GLU 6 6 18302 1 . GLU 7 7 18302 1 . GLN 8 8 18302 1 . ILE 9 9 18302 1 . ALA 10 10 18302 1 . GLU 11 11 18302 1 . PHE 12 12 18302 1 . LYS 13 13 18302 1 . GLU 14 14 18302 1 . ALA 15 15 18302 1 . PHE 16 16 18302 1 . SER 17 17 18302 1 . LEU 18 18 18302 1 . PHE 19 19 18302 1 . ASP 20 20 18302 1 . LYS 21 21 18302 1 . ASP 22 22 18302 1 . GLY 23 23 18302 1 . ASP 24 24 18302 1 . GLY 25 25 18302 1 . THR 26 26 18302 1 . ILE 27 27 18302 1 . THR 28 28 18302 1 . THR 29 29 18302 1 . LYS 30 30 18302 1 . GLU 31 31 18302 1 . LEU 32 32 18302 1 . GLY 33 33 18302 1 . THR 34 34 18302 1 . VAL 35 35 18302 1 . MET 36 36 18302 1 . ARG 37 37 18302 1 . SER 38 38 18302 1 . LEU 39 39 18302 1 . GLY 40 40 18302 1 . GLN 41 41 18302 1 . ASN 42 42 18302 1 . PRO 43 43 18302 1 . THR 44 44 18302 1 . GLU 45 45 18302 1 . ALA 46 46 18302 1 . GLU 47 47 18302 1 . LEU 48 48 18302 1 . GLN 49 49 18302 1 . ASP 50 50 18302 1 . MET 51 51 18302 1 . ILE 52 52 18302 1 . ASN 53 53 18302 1 . GLU 54 54 18302 1 . VAL 55 55 18302 1 . ASP 56 56 18302 1 . ALA 57 57 18302 1 . ASP 58 58 18302 1 . GLY 59 59 18302 1 . ASN 60 60 18302 1 . GLY 61 61 18302 1 . THR 62 62 18302 1 . ILE 63 63 18302 1 . ASP 64 64 18302 1 . PHE 65 65 18302 1 . PRO 66 66 18302 1 . GLU 67 67 18302 1 . PHE 68 68 18302 1 . LEU 69 69 18302 1 . THR 70 70 18302 1 . MET 71 71 18302 1 . MET 72 72 18302 1 . ALA 73 73 18302 1 . ARG 74 74 18302 1 . LYS 75 75 18302 1 . MET 76 76 18302 1 . LYS 77 77 18302 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 18302 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'NSCaTE peptide' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTGAALSWQAAIDAARQAKL MGSA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 24 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LQC . "Nmr Solution Structure Of A Ca2+-Calmodulin With A Binding Motif (Nscate) Peptide From The N-Terminal Cytoplasmic Domain Of The" . . . . . 100.00 24 100.00 100.00 1.73e-05 . . . . 18302 2 2 no DBJ BAF03165 . "voltage-dependent calcium channel splice variant 1.2-a [Mus musculus]" . . . . . 91.67 2169 100.00 100.00 9.39e-05 . . . . 18302 2 3 no EMBL CAA12174 . "voltage-dependent L-type calcium channel alpha-1C subunit [Homo sapiens]" . . . . . 91.67 2138 100.00 100.00 9.38e-05 . . . . 18302 2 4 no EMBL CAA33546 . "unnamed protein product [Oryctolagus cuniculus]" . . . . . 91.67 2171 100.00 100.00 1.01e-04 . . . . 18302 2 5 no EMBL CAA39289 . "CaCB receptor [Oryctolagus cuniculus]" . . . . . 91.67 2166 100.00 100.00 1.18e-04 . . . . 18302 2 6 no EMBL CAA43196 . "smooth muscle calcium channel (CaCB-receptor) splice varient [Oryctolagus cuniculus]" . . . . . 79.17 54 100.00 100.00 7.66e-03 . . . . 18302 2 7 no EMBL CAA84340 . "voltage-dependent L-type Ca channel alpha 1 subunit [Homo sapiens]" . . . . . 91.67 2138 100.00 100.00 9.38e-05 . . . . 18302 2 8 no GB AAA02501 . "L-type voltage-dependent calcium channel [Homo sapiens]" . . . . . 91.67 2180 100.00 100.00 1.15e-04 . . . . 18302 2 9 no GB AAA17030 . "L-type calcium channel (HFCC) [Homo sapiens]" . . . . . 91.67 2221 100.00 100.00 9.41e-05 . . . . 18302 2 10 no GB AAA42016 . "calcium channel alpha-1 subunit [Rattus norvegicus]" . . . . . 91.67 2140 100.00 100.00 9.38e-05 . . . . 18302 2 11 no GB AAA51899 . "L-type voltage-dependent cardiac calcium channel alpha 1 subunit [Homo sapiens]" . . . . . 91.67 2169 100.00 100.00 1.21e-04 . . . . 18302 2 12 no GB AAA51900 . "cardiac L-type voltage-dependent calcium channel a1 subunit [Homo sapiens]" . . . . . 91.67 2144 100.00 100.00 1.00e-04 . . . . 18302 2 13 no PRF 1512308A . "dihydropyridine sensitive Ca channel" . . . . . 91.67 2171 100.00 100.00 1.01e-04 . . . . 18302 2 14 no REF NP_000710 . "voltage-dependent L-type calcium channel subunit alpha-1C isoform 18 [Homo sapiens]" . . . . . 91.67 2138 100.00 100.00 9.38e-05 . . . . 18302 2 15 no REF NP_001123299 . "voltage-dependent L-type calcium channel subunit alpha-1C isoform 2 [Homo sapiens]" . . . . . 91.67 2186 100.00 100.00 9.40e-05 . . . . 18302 2 16 no REF NP_001123301 . "voltage-dependent L-type calcium channel subunit alpha-1C isoform 3 [Homo sapiens]" . . . . . 91.67 2179 100.00 100.00 9.39e-05 . . . . 18302 2 17 no REF NP_001123302 . "voltage-dependent L-type calcium channel subunit alpha-1C isoform 4 [Homo sapiens]" . . . . . 91.67 2173 100.00 100.00 9.39e-05 . . . . 18302 2 18 no REF NP_001123303 . "voltage-dependent L-type calcium channel subunit alpha-1C isoform 5 [Homo sapiens]" . . . . . 91.67 2166 100.00 100.00 9.39e-05 . . . . 18302 2 19 no SP P15381 . "RecName: Full=Voltage-dependent L-type calcium channel subunit alpha-1C; AltName: Full=Calcium channel, L type, alpha-1 polypep" . . . . . 91.67 2171 100.00 100.00 1.01e-04 . . . . 18302 2 20 no SP Q01815 . "RecName: Full=Voltage-dependent L-type calcium channel subunit alpha-1C; AltName: Full=Calcium channel, L type, alpha-1 polypep" . . . . . 91.67 2139 100.00 100.00 9.38e-05 . . . . 18302 2 21 no SP Q13936 . "RecName: Full=Voltage-dependent L-type calcium channel subunit alpha-1C; AltName: Full=Calcium channel, L type, alpha-1 polypep" . . . . . 91.67 2221 100.00 100.00 9.41e-05 . . . . 18302 2 22 no TPG DAA29184 . "TPA: voltage-gated calcium channel alpha 1C subunit [Bos taurus]" . . . . . 91.67 1785 100.00 100.00 9.20e-05 . . . . 18302 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 45 GLY . 18302 2 2 46 THR . 18302 2 3 47 GLY . 18302 2 4 48 ALA . 18302 2 5 49 ALA . 18302 2 6 50 LEU . 18302 2 7 51 SER . 18302 2 8 52 TRP . 18302 2 9 53 GLN . 18302 2 10 54 ALA . 18302 2 11 55 ALA . 18302 2 12 56 ILE . 18302 2 13 57 ASP . 18302 2 14 58 ALA . 18302 2 15 59 ALA . 18302 2 16 60 ARG . 18302 2 17 61 GLN . 18302 2 18 62 ALA . 18302 2 19 63 LYS . 18302 2 20 64 LEU . 18302 2 21 65 MET . 18302 2 22 66 GLY . 18302 2 23 67 SER . 18302 2 24 68 ALA . 18302 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18302 2 . THR 2 2 18302 2 . GLY 3 3 18302 2 . ALA 4 4 18302 2 . ALA 5 5 18302 2 . LEU 6 6 18302 2 . SER 7 7 18302 2 . TRP 8 8 18302 2 . GLN 9 9 18302 2 . ALA 10 10 18302 2 . ALA 11 11 18302 2 . ILE 12 12 18302 2 . ASP 13 13 18302 2 . ALA 14 14 18302 2 . ALA 15 15 18302 2 . ARG 16 16 18302 2 . GLN 17 17 18302 2 . ALA 18 18 18302 2 . LYS 19 19 18302 2 . LEU 20 20 18302 2 . MET 21 21 18302 2 . GLY 22 22 18302 2 . SER 23 23 18302 2 . ALA 24 24 18302 2 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 18302 _Entity.ID 3 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 18302 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 18302 3 CA 'Three letter code' 18302 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 18302 3 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 CA CA 18302 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18302 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18302 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18302 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 18302 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET30b+ . . . . . . 18302 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET30b+ . . . . . . 18302 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 18302 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 18302 CA [Ca++] SMILES CACTVS 3.341 18302 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 18302 CA [Ca+2] SMILES ACDLabs 10.04 18302 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 18302 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18302 CA InChI=1S/Ca/q+2 InChI InChI 1.03 18302 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 18302 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18302 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18302 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18302 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 calmodulin '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 18302 1 2 'NSCaTE peptide' 'natural abundance' . . 2 $entity_2 . . 2 . . mM . . . . 18302 1 3 H2O 'natural abundance' . . . . . . 55 . . M . . . . 18302 1 4 D2O '[U-99% 2H]' . . . . . . 5 . . M . . . . 18302 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18302 1 6 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18302 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18302 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NSCaTE peptide' '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 1 . . mM . . . . 18302 2 2 calmodulin 'natural abundance' . . 1 $entity . . 0.5 . . mM . . . . 18302 2 3 H2O 'natural abundance' . . . . . . 55 . . M . . . . 18302 2 4 D2O '[U-99% 2H]' . . . . . . 5 . . M . . . . 18302 2 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18302 2 6 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18302 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18302 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 calmodulin '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM . . . . 18302 3 2 'NSCaTE peptide' 'natural abundance' . . 2 $entity_2 . . 2 . . mM . . . . 18302 3 3 'Pf1 phage' 'natural abundance' . . . . . . 7.5 . . mg . . . . 18302 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18302 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 18302 1 pH 7.0 . pH 18302 1 pressure 1 . atm 18302 1 temperature 298 . K 18302 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18302 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18302 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18302 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18302 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18302 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18302 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18302 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18302 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18302 3 'peak picking' 18302 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18302 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18302 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18302 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18302 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18302 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18302 5 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 18302 _Software.ID 6 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18302 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18302 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18302 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18302 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 18302 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18302 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18302 1 2 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18302 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18302 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18302 1 5 '3D HCACO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18302 1 6 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18302 1 7 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18302 1 8 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18302 1 9 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18302 1 10 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18302 1 11 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18302 1 12 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18302 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18302 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18302 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18302 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18302 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18302 1 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18302 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18302 1 2 '3D HNCACB' . . . 18302 1 3 '3D CBCA(CO)NH' . . . 18302 1 4 '3D HNCO' . . . 18302 1 5 '3D HCACO' . . . 18302 1 6 '3D C(CO)NH' . . . 18302 1 7 '3D HCCH-TOCSY' . . . 18302 1 8 '3D HBHA(CO)NH' . . . 18302 1 9 '3D H(CCO)NH' . . . 18302 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP HA H 1 4.6160 . . 1 . . . A 2 ASP HA . 18302 1 2 . 1 1 2 2 ASP HB2 H 1 2.6240 . . 1 . . . A 2 ASP HB2 . 18302 1 3 . 1 1 2 2 ASP HB3 H 1 2.6240 . . 1 . . . A 2 ASP HB3 . 18302 1 4 . 1 1 2 2 ASP C C 13 175.9750 . . 1 . . . A 2 ASP C . 18302 1 5 . 1 1 2 2 ASP CA C 13 54.6660 . . 1 . . . A 2 ASP CA . 18302 1 6 . 1 1 2 2 ASP CB C 13 41.1880 . . 1 . . . A 2 ASP CB . 18302 1 7 . 1 1 3 3 GLN H H 1 8.4140 . . 1 . . . A 3 GLN H . 18302 1 8 . 1 1 3 3 GLN HA H 1 4.3830 . . 1 . . . A 3 GLN HA . 18302 1 9 . 1 1 3 3 GLN HB2 H 1 2.1000 . . 1 . . . A 3 GLN HB2 . 18302 1 10 . 1 1 3 3 GLN HB3 H 1 2.1000 . . 1 . . . A 3 GLN HB3 . 18302 1 11 . 1 1 3 3 GLN HG2 H 1 2.3750 . . 1 . . . A 3 GLN HG2 . 18302 1 12 . 1 1 3 3 GLN HG3 H 1 2.3750 . . 1 . . . A 3 GLN HG3 . 18302 1 13 . 1 1 3 3 GLN C C 13 175.9270 . . 1 . . . A 3 GLN C . 18302 1 14 . 1 1 3 3 GLN CA C 13 52.6530 . . 1 . . . A 3 GLN CA . 18302 1 15 . 1 1 3 3 GLN CB C 13 29.2340 . . 1 . . . A 3 GLN CB . 18302 1 16 . 1 1 3 3 GLN CG C 13 33.6410 . . 1 . . . A 3 GLN CG . 18302 1 17 . 1 1 3 3 GLN N N 15 119.9950 . . 1 . . . A 3 GLN N . 18302 1 18 . 1 1 4 4 LEU H H 1 8.3520 . . 1 . . . A 4 LEU H . 18302 1 19 . 1 1 4 4 LEU HA H 1 4.6700 . . 1 . . . A 4 LEU HA . 18302 1 20 . 1 1 4 4 LEU HB2 H 1 1.5000 . . 1 . . . A 4 LEU HB2 . 18302 1 21 . 1 1 4 4 LEU HB3 H 1 1.7400 . . 1 . . . A 4 LEU HB3 . 18302 1 22 . 1 1 4 4 LEU HG H 1 0.9600 . . 1 . . . A 4 LEU HG . 18302 1 23 . 1 1 4 4 LEU C C 13 177.9830 . . 1 . . . A 4 LEU C . 18302 1 24 . 1 1 4 4 LEU CA C 13 54.6660 . . 1 . . . A 4 LEU CA . 18302 1 25 . 1 1 4 4 LEU CB C 13 43.5320 . . 1 . . . A 4 LEU CB . 18302 1 26 . 1 1 4 4 LEU CG C 13 27.0330 . . 1 . . . A 4 LEU CG . 18302 1 27 . 1 1 4 4 LEU CD1 C 13 24.0330 . . 1 . . . A 4 LEU CD1 . 18302 1 28 . 1 1 4 4 LEU CD2 C 13 23.6330 . . 1 . . . A 4 LEU CD2 . 18302 1 29 . 1 1 4 4 LEU N N 15 123.5860 . . 1 . . . A 4 LEU N . 18302 1 30 . 1 1 5 5 THR H H 1 8.7350 . . 1 . . . A 5 THR H . 18302 1 31 . 1 1 5 5 THR HA H 1 4.4700 . . 1 . . . A 5 THR HA . 18302 1 32 . 1 1 5 5 THR HB H 1 4.7400 . . 1 . . . A 5 THR HB . 18302 1 33 . 1 1 5 5 THR C C 13 175.7290 . . 1 . . . A 5 THR C . 18302 1 34 . 1 1 5 5 THR CA C 13 60.5260 . . 1 . . . A 5 THR CA . 18302 1 35 . 1 1 5 5 THR CB C 13 71.5410 . . 1 . . . A 5 THR CB . 18302 1 36 . 1 1 5 5 THR CG2 C 13 21.8330 . . 1 . . . A 5 THR CG2 . 18302 1 37 . 1 1 5 5 THR N N 15 113.2920 . . 1 . . . A 5 THR N . 18302 1 38 . 1 1 6 6 GLU H H 1 9.0600 . . 1 . . . A 6 GLU H . 18302 1 39 . 1 1 6 6 GLU HA H 1 3.9910 . . 1 . . . A 6 GLU HA . 18302 1 40 . 1 1 6 6 GLU HB2 H 1 2.0490 . . 1 . . . A 6 GLU HB2 . 18302 1 41 . 1 1 6 6 GLU HB3 H 1 2.0490 . . 1 . . . A 6 GLU HB3 . 18302 1 42 . 1 1 6 6 GLU HG2 H 1 2.3940 . . 1 . . . A 6 GLU HG2 . 18302 1 43 . 1 1 6 6 GLU HG3 H 1 2.3500 . . 1 . . . A 6 GLU HG3 . 18302 1 44 . 1 1 6 6 GLU C C 13 179.8160 . . 1 . . . A 6 GLU C . 18302 1 45 . 1 1 6 6 GLU CA C 13 59.9400 . . 1 . . . A 6 GLU CA . 18302 1 46 . 1 1 6 6 GLU CB C 13 29.2340 . . 1 . . . A 6 GLU CB . 18302 1 47 . 1 1 6 6 GLU CG C 13 36.6080 . . 1 . . . A 6 GLU CG . 18302 1 48 . 1 1 6 6 GLU N N 15 120.5070 . . 1 . . . A 6 GLU N . 18302 1 49 . 1 1 7 7 GLU H H 1 8.7700 . . 1 . . . A 7 GLU H . 18302 1 50 . 1 1 7 7 GLU HA H 1 4.0850 . . 1 . . . A 7 GLU HA . 18302 1 51 . 1 1 7 7 GLU HB2 H 1 1.9500 . . 1 . . . A 7 GLU HB2 . 18302 1 52 . 1 1 7 7 GLU HB3 H 1 1.9500 . . 1 . . . A 7 GLU HB3 . 18302 1 53 . 1 1 7 7 GLU HG2 H 1 2.3000 . . 1 . . . A 7 GLU HG2 . 18302 1 54 . 1 1 7 7 GLU HG3 H 1 2.4000 . . 1 . . . A 7 GLU HG3 . 18302 1 55 . 1 1 7 7 GLU C C 13 179.5880 . . 1 . . . A 7 GLU C . 18302 1 56 . 1 1 7 7 GLU CA C 13 59.9400 . . 1 . . . A 7 GLU CA . 18302 1 57 . 1 1 7 7 GLU CB C 13 28.8330 . . 1 . . . A 7 GLU CB . 18302 1 58 . 1 1 7 7 GLU CG C 13 36.9000 . . 1 . . . A 7 GLU CG . 18302 1 59 . 1 1 7 7 GLU N N 15 120.0000 . . 1 . . . A 7 GLU N . 18302 1 60 . 1 1 8 8 GLN H H 1 7.7550 . . 1 . . . A 8 GLN H . 18302 1 61 . 1 1 8 8 GLN HA H 1 3.8300 . . 1 . . . A 8 GLN HA . 18302 1 62 . 1 1 8 8 GLN HB2 H 1 1.5500 . . 1 . . . A 8 GLN HB2 . 18302 1 63 . 1 1 8 8 GLN HB3 H 1 2.3000 . . 1 . . . A 8 GLN HB3 . 18302 1 64 . 1 1 8 8 GLN HG2 H 1 2.2930 . . 1 . . . A 8 GLN HG2 . 18302 1 65 . 1 1 8 8 GLN HG3 H 1 2.2930 . . 1 . . . A 8 GLN HG3 . 18302 1 66 . 1 1 8 8 GLN C C 13 178.1790 . . 1 . . . A 8 GLN C . 18302 1 67 . 1 1 8 8 GLN CA C 13 58.3200 . . 1 . . . A 8 GLN CA . 18302 1 68 . 1 1 8 8 GLN CB C 13 29.2330 . . 1 . . . A 8 GLN CB . 18302 1 69 . 1 1 8 8 GLN CG C 13 34.8730 . . 1 . . . A 8 GLN CG . 18302 1 70 . 1 1 8 8 GLN N N 15 120.7980 . . 1 . . . A 8 GLN N . 18302 1 71 . 1 1 9 9 ILE H H 1 8.2530 . . 1 . . . A 9 ILE H . 18302 1 72 . 1 1 9 9 ILE HA H 1 3.6000 . . 1 . . . A 9 ILE HA . 18302 1 73 . 1 1 9 9 ILE HB H 1 1.9410 . . 1 . . . A 9 ILE HB . 18302 1 74 . 1 1 9 9 ILE HG12 H 1 1.1000 . . 1 . . . A 9 ILE HG12 . 18302 1 75 . 1 1 9 9 ILE HG13 H 1 1.8300 . . 1 . . . A 9 ILE HG13 . 18302 1 76 . 1 1 9 9 ILE C C 13 178.1470 . . 1 . . . A 9 ILE C . 18302 1 77 . 1 1 9 9 ILE CA C 13 66.6200 . . 1 . . . A 9 ILE CA . 18302 1 78 . 1 1 9 9 ILE CB C 13 37.6520 . . 1 . . . A 9 ILE CB . 18302 1 79 . 1 1 9 9 ILE CG1 C 13 30.2330 . . 1 . . . A 9 ILE CG1 . 18302 1 80 . 1 1 9 9 ILE CG2 C 13 17.3150 . . 1 . . . A 9 ILE CG2 . 18302 1 81 . 1 1 9 9 ILE CD1 C 13 12.8430 . . 1 . . . A 9 ILE CD1 . 18302 1 82 . 1 1 9 9 ILE N N 15 119.0280 . . 1 . . . A 9 ILE N . 18302 1 83 . 1 1 10 10 ALA H H 1 8.0510 . . 1 . . . A 10 ALA H . 18302 1 84 . 1 1 10 10 ALA HA H 1 4.1400 . . 1 . . . A 10 ALA HA . 18302 1 85 . 1 1 10 10 ALA C C 13 181.2790 . . 1 . . . A 10 ALA C . 18302 1 86 . 1 1 10 10 ALA CA C 13 55.2520 . . 1 . . . A 10 ALA CA . 18302 1 87 . 1 1 10 10 ALA CB C 13 17.5000 . . 1 . . . A 10 ALA CB . 18302 1 88 . 1 1 10 10 ALA N N 15 120.5870 . . 1 . . . A 10 ALA N . 18302 1 89 . 1 1 11 11 GLU H H 1 7.7950 . . 1 . . . A 11 GLU H . 18302 1 90 . 1 1 11 11 GLU HA H 1 4.1950 . . 1 . . . A 11 GLU HA . 18302 1 91 . 1 1 11 11 GLU HB2 H 1 2.0080 . . 1 . . . A 11 GLU HB2 . 18302 1 92 . 1 1 11 11 GLU HB3 H 1 2.0080 . . 1 . . . A 11 GLU HB3 . 18302 1 93 . 1 1 11 11 GLU HG2 H 1 2.4200 . . 1 . . . A 11 GLU HG2 . 18302 1 94 . 1 1 11 11 GLU HG3 H 1 2.1660 . . 1 . . . A 11 GLU HG3 . 18302 1 95 . 1 1 11 11 GLU C C 13 180.5420 . . 1 . . . A 11 GLU C . 18302 1 96 . 1 1 11 11 GLU CA C 13 59.3540 . . 1 . . . A 11 GLU CA . 18302 1 97 . 1 1 11 11 GLU CB C 13 29.2340 . . 1 . . . A 11 GLU CB . 18302 1 98 . 1 1 11 11 GLU CG C 13 36.2450 . . 1 . . . A 11 GLU CG . 18302 1 99 . 1 1 11 11 GLU N N 15 120.4360 . . 1 . . . A 11 GLU N . 18302 1 100 . 1 1 12 12 PHE H H 1 8.5410 . . 1 . . . A 12 PHE H . 18302 1 101 . 1 1 12 12 PHE HA H 1 5.0500 . . 1 . . . A 12 PHE HA . 18302 1 102 . 1 1 12 12 PHE HB2 H 1 3.6000 . . 1 . . . A 12 PHE HB2 . 18302 1 103 . 1 1 12 12 PHE HB3 H 1 3.4400 . . 1 . . . A 12 PHE HB3 . 18302 1 104 . 1 1 12 12 PHE HZ H 1 6.7000 . . 1 . . . A 12 PHE HZ . 18302 1 105 . 1 1 12 12 PHE C C 13 179.1550 . . 1 . . . A 12 PHE C . 18302 1 106 . 1 1 12 12 PHE CA C 13 58.7600 . . 1 . . . A 12 PHE CA . 18302 1 107 . 1 1 12 12 PHE CB C 13 37.0000 . . 1 . . . A 12 PHE CB . 18302 1 108 . 1 1 12 12 PHE N N 15 120.6540 . . 1 . . . A 12 PHE N . 18302 1 109 . 1 1 13 13 LYS H H 1 9.2790 . . 1 . . . A 13 LYS H . 18302 1 110 . 1 1 13 13 LYS HA H 1 3.9930 . . 1 . . . A 13 LYS HA . 18302 1 111 . 1 1 13 13 LYS HB2 H 1 1.8600 . . 1 . . . A 13 LYS HB2 . 18302 1 112 . 1 1 13 13 LYS HB3 H 1 1.9020 . . 1 . . . A 13 LYS HB3 . 18302 1 113 . 1 1 13 13 LYS HG2 H 1 1.1500 . . 1 . . . A 13 LYS HG2 . 18302 1 114 . 1 1 13 13 LYS HG3 H 1 1.0000 . . 1 . . . A 13 LYS HG3 . 18302 1 115 . 1 1 13 13 LYS HD2 H 1 1.1700 . . 1 . . . A 13 LYS HD2 . 18302 1 116 . 1 1 13 13 LYS HD3 H 1 1.3300 . . 1 . . . A 13 LYS HD3 . 18302 1 117 . 1 1 13 13 LYS HE2 H 1 2.5400 . . 1 . . . A 13 LYS HE2 . 18302 1 118 . 1 1 13 13 LYS HE3 H 1 2.5400 . . 1 . . . A 13 LYS HE3 . 18302 1 119 . 1 1 13 13 LYS C C 13 179.5230 . . 1 . . . A 13 LYS C . 18302 1 120 . 1 1 13 13 LYS CA C 13 59.9400 . . 1 . . . A 13 LYS CA . 18302 1 121 . 1 1 13 13 LYS CB C 13 31.7330 . . 1 . . . A 13 LYS CB . 18302 1 122 . 1 1 13 13 LYS CG C 13 25.4330 . . 1 . . . A 13 LYS CG . 18302 1 123 . 1 1 13 13 LYS CD C 13 28.7330 . . 1 . . . A 13 LYS CD . 18302 1 124 . 1 1 13 13 LYS CE C 13 41.7510 . . 1 . . . A 13 LYS CE . 18302 1 125 . 1 1 13 13 LYS N N 15 123.6000 . . 1 . . . A 13 LYS N . 18302 1 126 . 1 1 14 14 GLU H H 1 8.0360 . . 1 . . . A 14 GLU H . 18302 1 127 . 1 1 14 14 GLU HA H 1 4.1210 . . 1 . . . A 14 GLU HA . 18302 1 128 . 1 1 14 14 GLU HB2 H 1 2.2700 . . 1 . . . A 14 GLU HB2 . 18302 1 129 . 1 1 14 14 GLU HB3 H 1 2.2700 . . 1 . . . A 14 GLU HB3 . 18302 1 130 . 1 1 14 14 GLU HG2 H 1 2.2500 . . 1 . . . A 14 GLU HG2 . 18302 1 131 . 1 1 14 14 GLU HG3 H 1 2.4200 . . 1 . . . A 14 GLU HG3 . 18302 1 132 . 1 1 14 14 GLU C C 13 179.8590 . . 1 . . . A 14 GLU C . 18302 1 133 . 1 1 14 14 GLU CA C 13 59.3540 . . 1 . . . A 14 GLU CA . 18302 1 134 . 1 1 14 14 GLU CB C 13 29.7330 . . 1 . . . A 14 GLU CB . 18302 1 135 . 1 1 14 14 GLU CG C 13 36.1840 . . 1 . . . A 14 GLU CG . 18302 1 136 . 1 1 14 14 GLU N N 15 121.1500 . . 1 . . . A 14 GLU N . 18302 1 137 . 1 1 15 15 ALA H H 1 8.0340 . . 1 . . . A 15 ALA H . 18302 1 138 . 1 1 15 15 ALA HA H 1 4.3490 . . 1 . . . A 15 ALA HA . 18302 1 139 . 1 1 15 15 ALA C C 13 178.7850 . . 1 . . . A 15 ALA C . 18302 1 140 . 1 1 15 15 ALA CA C 13 55.2520 . . 1 . . . A 15 ALA CA . 18302 1 141 . 1 1 15 15 ALA CB C 13 18.0000 . . 1 . . . A 15 ALA CB . 18302 1 142 . 1 1 15 15 ALA N N 15 122.0100 . . 1 . . . A 15 ALA N . 18302 1 143 . 1 1 16 16 PHE H H 1 8.6330 . . 1 . . . A 16 PHE H . 18302 1 144 . 1 1 16 16 PHE HA H 1 3.3000 . . 1 . . . A 16 PHE HA . 18302 1 145 . 1 1 16 16 PHE HB2 H 1 2.9200 . . 1 . . . A 16 PHE HB2 . 18302 1 146 . 1 1 16 16 PHE HB3 H 1 3.2200 . . 1 . . . A 16 PHE HB3 . 18302 1 147 . 1 1 16 16 PHE HZ H 1 7.1200 . . 1 . . . A 16 PHE HZ . 18302 1 148 . 1 1 16 16 PHE C C 13 178.5340 . . 1 . . . A 16 PHE C . 18302 1 149 . 1 1 16 16 PHE CA C 13 62.0000 . . 1 . . . A 16 PHE CA . 18302 1 150 . 1 1 16 16 PHE CB C 13 40.0000 . . 1 . . . A 16 PHE CB . 18302 1 151 . 1 1 16 16 PHE N N 15 119.0320 . . 1 . . . A 16 PHE N . 18302 1 152 . 1 1 17 17 SER H H 1 8.2150 . . 1 . . . A 17 SER H . 18302 1 153 . 1 1 17 17 SER HA H 1 4.1000 . . 1 . . . A 17 SER HA . 18302 1 154 . 1 1 17 17 SER HB2 H 1 4.0500 . . 1 . . . A 17 SER HB2 . 18302 1 155 . 1 1 17 17 SER HB3 H 1 4.0500 . . 1 . . . A 17 SER HB3 . 18302 1 156 . 1 1 17 17 SER C C 13 174.6390 . . 1 . . . A 17 SER C . 18302 1 157 . 1 1 17 17 SER CA C 13 61.5000 . . 1 . . . A 17 SER CA . 18302 1 158 . 1 1 17 17 SER CB C 13 63.5000 . . 1 . . . A 17 SER CB . 18302 1 159 . 1 1 17 17 SER N N 15 113.7860 . . 1 . . . A 17 SER N . 18302 1 160 . 1 1 18 18 LEU H H 1 7.4170 . . 1 . . . A 18 LEU H . 18302 1 161 . 1 1 18 18 LEU HA H 1 3.8800 . . 1 . . . A 18 LEU HA . 18302 1 162 . 1 1 18 18 LEU HB2 H 1 1.7000 . . 1 . . . A 18 LEU HB2 . 18302 1 163 . 1 1 18 18 LEU HB3 H 1 1.0500 . . 1 . . . A 18 LEU HB3 . 18302 1 164 . 1 1 18 18 LEU HG H 1 1.7400 . . 1 . . . A 18 LEU HG . 18302 1 165 . 1 1 18 18 LEU C C 13 177.1510 . . 1 . . . A 18 LEU C . 18302 1 166 . 1 1 18 18 LEU CA C 13 56.5000 . . 1 . . . A 18 LEU CA . 18302 1 167 . 1 1 18 18 LEU CB C 13 41.5000 . . 1 . . . A 18 LEU CB . 18302 1 168 . 1 1 18 18 LEU CG C 13 27.2330 . . 1 . . . A 18 LEU CG . 18302 1 169 . 1 1 18 18 LEU CD1 C 13 23.3330 . . 1 . . . A 18 LEU CD1 . 18302 1 170 . 1 1 18 18 LEU CD2 C 13 23.6330 . . 1 . . . A 18 LEU CD2 . 18302 1 171 . 1 1 18 18 LEU N N 15 120.1130 . . 1 . . . A 18 LEU N . 18302 1 172 . 1 1 19 19 PHE H H 1 7.0430 . . 1 . . . A 19 PHE H . 18302 1 173 . 1 1 19 19 PHE HA H 1 4.4000 . . 1 . . . A 19 PHE HA . 18302 1 174 . 1 1 19 19 PHE HB2 H 1 2.8800 . . 1 . . . A 19 PHE HB2 . 18302 1 175 . 1 1 19 19 PHE HB3 H 1 2.6200 . . 1 . . . A 19 PHE HB3 . 18302 1 176 . 1 1 19 19 PHE C C 13 175.6990 . . 1 . . . A 19 PHE C . 18302 1 177 . 1 1 19 19 PHE CA C 13 58.4000 . . 1 . . . A 19 PHE CA . 18302 1 178 . 1 1 19 19 PHE CB C 13 41.9000 . . 1 . . . A 19 PHE CB . 18302 1 179 . 1 1 19 19 PHE N N 15 112.0700 . . 1 . . . A 19 PHE N . 18302 1 180 . 1 1 20 20 ASP H H 1 7.4840 . . 1 . . . A 20 ASP H . 18302 1 181 . 1 1 20 20 ASP HA H 1 4.6000 . . 1 . . . A 20 ASP HA . 18302 1 182 . 1 1 20 20 ASP HB2 H 1 1.5310 . . 1 . . . A 20 ASP HB2 . 18302 1 183 . 1 1 20 20 ASP HB3 H 1 2.3290 . . 1 . . . A 20 ASP HB3 . 18302 1 184 . 1 1 20 20 ASP C C 13 177.6250 . . 1 . . . A 20 ASP C . 18302 1 185 . 1 1 20 20 ASP CA C 13 52.3220 . . 1 . . . A 20 ASP CA . 18302 1 186 . 1 1 20 20 ASP CB C 13 39.4300 . . 1 . . . A 20 ASP CB . 18302 1 187 . 1 1 20 20 ASP N N 15 116.2230 . . 1 . . . A 20 ASP N . 18302 1 188 . 1 1 21 21 LYS H H 1 7.6010 . . 1 . . . A 21 LYS H . 18302 1 189 . 1 1 21 21 LYS HA H 1 4.0000 . . 1 . . . A 21 LYS HA . 18302 1 190 . 1 1 21 21 LYS HB2 H 1 2.4500 . . 1 . . . A 21 LYS HB2 . 18302 1 191 . 1 1 21 21 LYS HB3 H 1 2.4500 . . 1 . . . A 21 LYS HB3 . 18302 1 192 . 1 1 21 21 LYS HG2 H 1 1.4800 . . 1 . . . A 21 LYS HG2 . 18302 1 193 . 1 1 21 21 LYS HG3 H 1 1.5300 . . 1 . . . A 21 LYS HG3 . 18302 1 194 . 1 1 21 21 LYS HD2 H 1 1.6000 . . 1 . . . A 21 LYS HD2 . 18302 1 195 . 1 1 21 21 LYS HD3 H 1 1.8500 . . 1 . . . A 21 LYS HD3 . 18302 1 196 . 1 1 21 21 LYS HE2 H 1 2.8500 . . 1 . . . A 21 LYS HE2 . 18302 1 197 . 1 1 21 21 LYS HE3 H 1 3.0000 . . 1 . . . A 21 LYS HE3 . 18302 1 198 . 1 1 21 21 LYS C C 13 178.5130 . . 1 . . . A 21 LYS C . 18302 1 199 . 1 1 21 21 LYS CA C 13 57.7000 . . 1 . . . A 21 LYS CA . 18302 1 200 . 1 1 21 21 LYS CB C 13 34.2000 . . 1 . . . A 21 LYS CB . 18302 1 201 . 1 1 21 21 LYS CG C 13 23.7330 . . 1 . . . A 21 LYS CG . 18302 1 202 . 1 1 21 21 LYS CD C 13 28.0330 . . 1 . . . A 21 LYS CD . 18302 1 203 . 1 1 21 21 LYS CE C 13 41.5470 . . 1 . . . A 21 LYS CE . 18302 1 204 . 1 1 21 21 LYS N N 15 124.5440 . . 1 . . . A 21 LYS N . 18302 1 205 . 1 1 22 22 ASP H H 1 8.2410 . . 1 . . . A 22 ASP H . 18302 1 206 . 1 1 22 22 ASP HA H 1 4.6340 . . 1 . . . A 22 ASP HA . 18302 1 207 . 1 1 22 22 ASP HB2 H 1 2.7000 . . 1 . . . A 22 ASP HB2 . 18302 1 208 . 1 1 22 22 ASP HB3 H 1 3.0960 . . 1 . . . A 22 ASP HB3 . 18302 1 209 . 1 1 22 22 ASP C C 13 178.0390 . . 1 . . . A 22 ASP C . 18302 1 210 . 1 1 22 22 ASP CA C 13 52.9080 . . 1 . . . A 22 ASP CA . 18302 1 211 . 1 1 22 22 ASP CB C 13 40.0160 . . 1 . . . A 22 ASP CB . 18302 1 212 . 1 1 22 22 ASP N N 15 114.3200 . . 1 . . . A 22 ASP N . 18302 1 213 . 1 1 23 23 GLY H H 1 7.6800 . . 1 . . . A 23 GLY H . 18302 1 214 . 1 1 23 23 GLY HA2 H 1 3.9000 . . 1 . . . A 23 GLY HA2 . 18302 1 215 . 1 1 23 23 GLY HA3 H 1 3.8300 . . 1 . . . A 23 GLY HA3 . 18302 1 216 . 1 1 23 23 GLY C C 13 175.4270 . . 1 . . . A 23 GLY C . 18302 1 217 . 1 1 23 23 GLY CA C 13 47.0480 . . 1 . . . A 23 GLY CA . 18302 1 218 . 1 1 23 23 GLY N N 15 109.4780 . . 1 . . . A 23 GLY N . 18302 1 219 . 1 1 24 24 ASP H H 1 8.5230 . . 1 . . . A 24 ASP H . 18302 1 220 . 1 1 24 24 ASP HA H 1 4.5000 . . 1 . . . A 24 ASP HA . 18302 1 221 . 1 1 24 24 ASP HB2 H 1 2.5000 . . 1 . . . A 24 ASP HB2 . 18302 1 222 . 1 1 24 24 ASP HB3 H 1 3.0500 . . 1 . . . A 24 ASP HB3 . 18302 1 223 . 1 1 24 24 ASP C C 13 177.6600 . . 1 . . . A 24 ASP C . 18302 1 224 . 1 1 24 24 ASP CA C 13 54.0800 . . 1 . . . A 24 ASP CA . 18302 1 225 . 1 1 24 24 ASP CB C 13 40.6020 . . 1 . . . A 24 ASP CB . 18302 1 226 . 1 1 24 24 ASP N N 15 121.0070 . . 1 . . . A 24 ASP N . 18302 1 227 . 1 1 25 25 GLY H H 1 10.5390 . . 1 . . . A 25 GLY H . 18302 1 228 . 1 1 25 25 GLY HA2 H 1 3.7080 . . 1 . . . A 25 GLY HA2 . 18302 1 229 . 1 1 25 25 GLY HA3 H 1 4.3980 . . 1 . . . A 25 GLY HA3 . 18302 1 230 . 1 1 25 25 GLY C C 13 174.1980 . . 1 . . . A 25 GLY C . 18302 1 231 . 1 1 25 25 GLY CA C 13 45.2900 . . 1 . . . A 25 GLY CA . 18302 1 232 . 1 1 25 25 GLY N N 15 112.9610 . . 1 . . . A 25 GLY N . 18302 1 233 . 1 1 26 26 THR H H 1 8.3040 . . 1 . . . A 26 THR H . 18302 1 234 . 1 1 26 26 THR HA H 1 5.5600 . . 1 . . . A 26 THR HA . 18302 1 235 . 1 1 26 26 THR HB H 1 3.8800 . . 1 . . . A 26 THR HB . 18302 1 236 . 1 1 26 26 THR C C 13 173.9910 . . 1 . . . A 26 THR C . 18302 1 237 . 1 1 26 26 THR CA C 13 59.5000 . . 1 . . . A 26 THR CA . 18302 1 238 . 1 1 26 26 THR CB C 13 73.2990 . . 1 . . . A 26 THR CB . 18302 1 239 . 1 1 26 26 THR CG2 C 13 22.6330 . . 1 . . . A 26 THR CG2 . 18302 1 240 . 1 1 26 26 THR N N 15 112.5930 . . 1 . . . A 26 THR N . 18302 1 241 . 1 1 27 27 ILE H H 1 9.9880 . . 1 . . . A 27 ILE H . 18302 1 242 . 1 1 27 27 ILE HA H 1 4.7500 . . 1 . . . A 27 ILE HA . 18302 1 243 . 1 1 27 27 ILE HB H 1 1.7800 . . 1 . . . A 27 ILE HB . 18302 1 244 . 1 1 27 27 ILE HG12 H 1 1.2000 . . 1 . . . A 27 ILE HG12 . 18302 1 245 . 1 1 27 27 ILE HG13 H 1 0.2000 . . 1 . . . A 27 ILE HG13 . 18302 1 246 . 1 1 27 27 ILE C C 13 176.3380 . . 1 . . . A 27 ILE C . 18302 1 247 . 1 1 27 27 ILE CA C 13 61.1120 . . 1 . . . A 27 ILE CA . 18302 1 248 . 1 1 27 27 ILE CB C 13 40.0000 . . 1 . . . A 27 ILE CB . 18302 1 249 . 1 1 27 27 ILE CG1 C 13 26.4330 . . 1 . . . A 27 ILE CG1 . 18302 1 250 . 1 1 27 27 ILE CG2 C 13 17.7330 . . 1 . . . A 27 ILE CG2 . 18302 1 251 . 1 1 27 27 ILE CD1 C 13 15.7330 . . 1 . . . A 27 ILE CD1 . 18302 1 252 . 1 1 27 27 ILE N N 15 126.8680 . . 1 . . . A 27 ILE N . 18302 1 253 . 1 1 28 28 THR H H 1 8.2330 . . 1 . . . A 28 THR H . 18302 1 254 . 1 1 28 28 THR HA H 1 4.8500 . . 1 . . . A 28 THR HA . 18302 1 255 . 1 1 28 28 THR HB H 1 4.9500 . . 1 . . . A 28 THR HB . 18302 1 256 . 1 1 28 28 THR C C 13 176.4220 . . 1 . . . A 28 THR C . 18302 1 257 . 1 1 28 28 THR CA C 13 59.0000 . . 1 . . . A 28 THR CA . 18302 1 258 . 1 1 28 28 THR CB C 13 72.7130 . . 1 . . . A 28 THR CB . 18302 1 259 . 1 1 28 28 THR CG2 C 13 21.5300 . . 1 . . . A 28 THR CG2 . 18302 1 260 . 1 1 28 28 THR N N 15 116.2370 . . 1 . . . A 28 THR N . 18302 1 261 . 1 1 29 29 THR H H 1 9.3160 . . 1 . . . A 29 THR H . 18302 1 262 . 1 1 29 29 THR HA H 1 3.8000 . . 1 . . . A 29 THR HA . 18302 1 263 . 1 1 29 29 THR HB H 1 4.2100 . . 1 . . . A 29 THR HB . 18302 1 264 . 1 1 29 29 THR C C 13 177.7720 . . 1 . . . A 29 THR C . 18302 1 265 . 1 1 29 29 THR CA C 13 66.7670 . . 1 . . . A 29 THR CA . 18302 1 266 . 1 1 29 29 THR CB C 13 68.6110 . . 1 . . . A 29 THR CB . 18302 1 267 . 1 1 29 29 THR CG2 C 13 23.6330 . . 1 . . . A 29 THR CG2 . 18302 1 268 . 1 1 29 29 THR N N 15 114.6600 . . 1 . . . A 29 THR N . 18302 1 269 . 1 1 30 30 LYS H H 1 7.9000 . . 1 . . . A 30 LYS H . 18302 1 270 . 1 1 30 30 LYS HA H 1 4.1280 . . 1 . . . A 30 LYS HA . 18302 1 271 . 1 1 30 30 LYS HB2 H 1 1.8500 . . 1 . . . A 30 LYS HB2 . 18302 1 272 . 1 1 30 30 LYS HB3 H 1 1.8500 . . 1 . . . A 30 LYS HB3 . 18302 1 273 . 1 1 30 30 LYS HG2 H 1 1.4000 . . 1 . . . A 30 LYS HG2 . 18302 1 274 . 1 1 30 30 LYS HG3 H 1 1.5000 . . 1 . . . A 30 LYS HG3 . 18302 1 275 . 1 1 30 30 LYS HD2 H 1 1.7000 . . 1 . . . A 30 LYS HD2 . 18302 1 276 . 1 1 30 30 LYS HD3 H 1 1.7000 . . 1 . . . A 30 LYS HD3 . 18302 1 277 . 1 1 30 30 LYS HE2 H 1 3.0000 . . 1 . . . A 30 LYS HE2 . 18302 1 278 . 1 1 30 30 LYS HE3 H 1 3.0000 . . 1 . . . A 30 LYS HE3 . 18302 1 279 . 1 1 30 30 LYS C C 13 180.1940 . . 1 . . . A 30 LYS C . 18302 1 280 . 1 1 30 30 LYS CA C 13 59.3540 . . 1 . . . A 30 LYS CA . 18302 1 281 . 1 1 30 30 LYS CB C 13 32.1640 . . 1 . . . A 30 LYS CB . 18302 1 282 . 1 1 30 30 LYS CG C 13 25.2330 . . 1 . . . A 30 LYS CG . 18302 1 283 . 1 1 30 30 LYS CD C 13 29.2330 . . 1 . . . A 30 LYS CD . 18302 1 284 . 1 1 30 30 LYS CE C 13 42.0700 . . 1 . . . A 30 LYS CE . 18302 1 285 . 1 1 30 30 LYS N N 15 121.3000 . . 1 . . . A 30 LYS N . 18302 1 286 . 1 1 31 31 GLU H H 1 7.9000 . . 1 . . . A 31 GLU H . 18302 1 287 . 1 1 31 31 GLU HA H 1 4.0000 . . 1 . . . A 31 GLU HA . 18302 1 288 . 1 1 31 31 GLU HB2 H 1 2.4000 . . 1 . . . A 31 GLU HB2 . 18302 1 289 . 1 1 31 31 GLU HB3 H 1 2.8000 . . 1 . . . A 31 GLU HB3 . 18302 1 290 . 1 1 31 31 GLU HG2 H 1 2.5500 . . 1 . . . A 31 GLU HG2 . 18302 1 291 . 1 1 31 31 GLU HG3 H 1 2.3500 . . 1 . . . A 31 GLU HG3 . 18302 1 292 . 1 1 31 31 GLU C C 13 178.9640 . . 1 . . . A 31 GLU C . 18302 1 293 . 1 1 31 31 GLU CA C 13 59.9400 . . 1 . . . A 31 GLU CA . 18302 1 294 . 1 1 31 31 GLU CB C 13 29.8200 . . 1 . . . A 31 GLU CB . 18302 1 295 . 1 1 31 31 GLU CG C 13 38.4380 . . 1 . . . A 31 GLU CG . 18302 1 296 . 1 1 31 31 GLU N N 15 122.1840 . . 1 . . . A 31 GLU N . 18302 1 297 . 1 1 32 32 LEU H H 1 8.6000 . . 1 . . . A 32 LEU H . 18302 1 298 . 1 1 32 32 LEU HA H 1 4.1500 . . 1 . . . A 32 LEU HA . 18302 1 299 . 1 1 32 32 LEU HB2 H 1 1.4000 . . 1 . . . A 32 LEU HB2 . 18302 1 300 . 1 1 32 32 LEU HB3 H 1 1.9050 . . 1 . . . A 32 LEU HB3 . 18302 1 301 . 1 1 32 32 LEU HG H 1 0.8300 . . 1 . . . A 32 LEU HG . 18302 1 302 . 1 1 32 32 LEU C C 13 179.1900 . . 1 . . . A 32 LEU C . 18302 1 303 . 1 1 32 32 LEU CA C 13 58.1820 . . 1 . . . A 32 LEU CA . 18302 1 304 . 1 1 32 32 LEU CB C 13 42.3600 . . 1 . . . A 32 LEU CB . 18302 1 305 . 1 1 32 32 LEU CG C 13 26.7330 . . 1 . . . A 32 LEU CG . 18302 1 306 . 1 1 32 32 LEU CD1 C 13 23.3330 . . 1 . . . A 32 LEU CD1 . 18302 1 307 . 1 1 32 32 LEU CD2 C 13 26.7330 . . 1 . . . A 32 LEU CD2 . 18302 1 308 . 1 1 32 32 LEU N N 15 120.0000 . . 1 . . . A 32 LEU N . 18302 1 309 . 1 1 33 33 GLY H H 1 8.7300 . . 1 . . . A 33 GLY H . 18302 1 310 . 1 1 33 33 GLY HA2 H 1 3.5500 . . 1 . . . A 33 GLY HA2 . 18302 1 311 . 1 1 33 33 GLY HA3 H 1 3.9700 . . 1 . . . A 33 GLY HA3 . 18302 1 312 . 1 1 33 33 GLY C C 13 175.3710 . . 1 . . . A 33 GLY C . 18302 1 313 . 1 1 33 33 GLY CA C 13 48.8060 . . 1 . . . A 33 GLY CA . 18302 1 314 . 1 1 33 33 GLY N N 15 105.4120 . . 1 . . . A 33 GLY N . 18302 1 315 . 1 1 34 34 THR H H 1 8.1040 . . 1 . . . A 34 THR H . 18302 1 316 . 1 1 34 34 THR HA H 1 3.9500 . . 1 . . . A 34 THR HA . 18302 1 317 . 1 1 34 34 THR HB H 1 4.3500 . . 1 . . . A 34 THR HB . 18302 1 318 . 1 1 34 34 THR C C 13 177.6810 . . 1 . . . A 34 THR C . 18302 1 319 . 1 1 34 34 THR CA C 13 66.7670 . . 1 . . . A 34 THR CA . 18302 1 320 . 1 1 34 34 THR CB C 13 69.1970 . . 1 . . . A 34 THR CB . 18302 1 321 . 1 1 34 34 THR CG2 C 13 21.4330 . . 1 . . . A 34 THR CG2 . 18302 1 322 . 1 1 34 34 THR N N 15 118.7620 . . 1 . . . A 34 THR N . 18302 1 323 . 1 1 35 35 VAL H H 1 8.2300 . . 1 . . . A 35 VAL H . 18302 1 324 . 1 1 35 35 VAL HA H 1 3.6700 . . 1 . . . A 35 VAL HA . 18302 1 325 . 1 1 35 35 VAL HB H 1 2.2000 . . 1 . . . A 35 VAL HB . 18302 1 326 . 1 1 35 35 VAL C C 13 179.6910 . . 1 . . . A 35 VAL C . 18302 1 327 . 1 1 35 35 VAL CA C 13 66.5670 . . 1 . . . A 35 VAL CA . 18302 1 328 . 1 1 35 35 VAL CB C 13 31.8330 . . 1 . . . A 35 VAL CB . 18302 1 329 . 1 1 35 35 VAL CG1 C 13 20.8330 . . 1 . . . A 35 VAL CG1 . 18302 1 330 . 1 1 35 35 VAL CG2 C 13 23.6330 . . 1 . . . A 35 VAL CG2 . 18302 1 331 . 1 1 35 35 VAL N N 15 122.9430 . . 1 . . . A 35 VAL N . 18302 1 332 . 1 1 36 36 MET H H 1 8.7460 . . 1 . . . A 36 MET H . 18302 1 333 . 1 1 36 36 MET HA H 1 4.1240 . . 1 . . . A 36 MET HA . 18302 1 334 . 1 1 36 36 MET HB2 H 1 1.7300 . . 1 . . . A 36 MET HB2 . 18302 1 335 . 1 1 36 36 MET HB3 H 1 2.0500 . . 1 . . . A 36 MET HB3 . 18302 1 336 . 1 1 36 36 MET HG2 H 1 2.4040 . . 1 . . . A 36 MET HG2 . 18302 1 337 . 1 1 36 36 MET HG3 H 1 2.6000 . . 1 . . . A 36 MET HG3 . 18302 1 338 . 1 1 36 36 MET C C 13 179.5180 . . 1 . . . A 36 MET C . 18302 1 339 . 1 1 36 36 MET CA C 13 58.4000 . . 1 . . . A 36 MET CA . 18302 1 340 . 1 1 36 36 MET CB C 13 31.2330 . . 1 . . . A 36 MET CB . 18302 1 341 . 1 1 36 36 MET CG C 13 32.7330 . . 1 . . . A 36 MET CG . 18302 1 342 . 1 1 36 36 MET CE C 13 15.2000 . . 1 . . . A 36 MET CE . 18302 1 343 . 1 1 36 36 MET N N 15 118.0740 . . 1 . . . A 36 MET N . 18302 1 344 . 1 1 37 37 ARG H H 1 8.5590 . . 1 . . . A 37 ARG H . 18302 1 345 . 1 1 37 37 ARG HA H 1 4.8500 . . 1 . . . A 37 ARG HA . 18302 1 346 . 1 1 37 37 ARG HB2 H 1 1.9600 . . 1 . . . A 37 ARG HB2 . 18302 1 347 . 1 1 37 37 ARG HB3 H 1 1.9600 . . 1 . . . A 37 ARG HB3 . 18302 1 348 . 1 1 37 37 ARG HD2 H 1 3.3000 . . 1 . . . A 37 ARG HD2 . 18302 1 349 . 1 1 37 37 ARG HD3 H 1 3.1000 . . 1 . . . A 37 ARG HD3 . 18302 1 350 . 1 1 37 37 ARG C C 13 181.6080 . . 1 . . . A 37 ARG C . 18302 1 351 . 1 1 37 37 ARG CA C 13 59.3540 . . 1 . . . A 37 ARG CA . 18302 1 352 . 1 1 37 37 ARG CB C 13 29.8200 . . 1 . . . A 37 ARG CB . 18302 1 353 . 1 1 37 37 ARG CD C 13 43.4600 . . 1 . . . A 37 ARG CD . 18302 1 354 . 1 1 37 37 ARG N N 15 118.9310 . . 1 . . . A 37 ARG N . 18302 1 355 . 1 1 38 38 SER H H 1 8.0750 . . 1 . . . A 38 SER H . 18302 1 356 . 1 1 38 38 SER HA H 1 4.4450 . . 1 . . . A 38 SER HA . 18302 1 357 . 1 1 38 38 SER HB2 H 1 3.8700 . . 1 . . . A 38 SER HB2 . 18302 1 358 . 1 1 38 38 SER HB3 H 1 4.0950 . . 1 . . . A 38 SER HB3 . 18302 1 359 . 1 1 38 38 SER C C 13 175.2120 . . 1 . . . A 38 SER C . 18302 1 360 . 1 1 38 38 SER CA C 13 61.6980 . . 1 . . . A 38 SER CA . 18302 1 361 . 1 1 38 38 SER CB C 13 62.7330 . . 1 . . . A 38 SER CB . 18302 1 362 . 1 1 38 38 SER N N 15 119.1640 . . 1 . . . A 38 SER N . 18302 1 363 . 1 1 39 39 LEU H H 1 7.4190 . . 1 . . . A 39 LEU H . 18302 1 364 . 1 1 39 39 LEU HA H 1 4.2300 . . 1 . . . A 39 LEU HA . 18302 1 365 . 1 1 39 39 LEU HB2 H 1 1.7500 . . 1 . . . A 39 LEU HB2 . 18302 1 366 . 1 1 39 39 LEU HB3 H 1 1.9000 . . 1 . . . A 39 LEU HB3 . 18302 1 367 . 1 1 39 39 LEU HG H 1 0.8500 . . 1 . . . A 39 LEU HG . 18302 1 368 . 1 1 39 39 LEU C C 13 177.7400 . . 1 . . . A 39 LEU C . 18302 1 369 . 1 1 39 39 LEU CA C 13 54.3030 . . 1 . . . A 39 LEU CA . 18302 1 370 . 1 1 39 39 LEU CB C 13 41.7740 . . 1 . . . A 39 LEU CB . 18302 1 371 . 1 1 39 39 LEU CG C 13 25.9330 . . 1 . . . A 39 LEU CG . 18302 1 372 . 1 1 39 39 LEU CD1 C 13 22.7330 . . 1 . . . A 39 LEU CD1 . 18302 1 373 . 1 1 39 39 LEU CD2 C 13 22.7330 . . 1 . . . A 39 LEU CD2 . 18302 1 374 . 1 1 39 39 LEU N N 15 120.6670 . . 1 . . . A 39 LEU N . 18302 1 375 . 1 1 40 40 GLY H H 1 7.9000 . . 1 . . . A 40 GLY H . 18302 1 376 . 1 1 40 40 GLY HA2 H 1 3.7500 . . 1 . . . A 40 GLY HA2 . 18302 1 377 . 1 1 40 40 GLY HA3 H 1 4.4300 . . 1 . . . A 40 GLY HA3 . 18302 1 378 . 1 1 40 40 GLY C C 13 174.7230 . . 1 . . . A 40 GLY C . 18302 1 379 . 1 1 40 40 GLY CA C 13 45.5000 . . 1 . . . A 40 GLY CA . 18302 1 380 . 1 1 40 40 GLY N N 15 107.1750 . . 1 . . . A 40 GLY N . 18302 1 381 . 1 1 41 41 GLN H H 1 7.7460 . . 1 . . . A 41 GLN H . 18302 1 382 . 1 1 41 41 GLN HA H 1 4.1300 . . 1 . . . A 41 GLN HA . 18302 1 383 . 1 1 41 41 GLN HB2 H 1 2.1500 . . 1 . . . A 41 GLN HB2 . 18302 1 384 . 1 1 41 41 GLN HB3 H 1 2.1500 . . 1 . . . A 41 GLN HB3 . 18302 1 385 . 1 1 41 41 GLN C C 13 174.4280 . . 1 . . . A 41 GLN C . 18302 1 386 . 1 1 41 41 GLN CA C 13 55.0000 . . 1 . . . A 41 GLN CA . 18302 1 387 . 1 1 41 41 GLN CB C 13 29.8200 . . 1 . . . A 41 GLN CB . 18302 1 388 . 1 1 41 41 GLN N N 15 117.9180 . . 1 . . . A 41 GLN N . 18302 1 389 . 1 1 42 42 ASN H H 1 8.2500 . . 1 . . . A 42 ASN H . 18302 1 390 . 1 1 42 42 ASN HA H 1 4.6000 . . 1 . . . A 42 ASN HA . 18302 1 391 . 1 1 42 42 ASN HB2 H 1 2.0500 . . 1 . . . A 42 ASN HB2 . 18302 1 392 . 1 1 42 42 ASN HB3 H 1 1.8500 . . 1 . . . A 42 ASN HB3 . 18302 1 393 . 1 1 42 42 ASN N N 15 119.0000 . . 1 . . . A 42 ASN N . 18302 1 394 . 1 1 43 43 PRO HA H 1 5.2000 . . 1 . . . A 43 PRO HA . 18302 1 395 . 1 1 43 43 PRO HB2 H 1 2.2000 . . 1 . . . A 43 PRO HB2 . 18302 1 396 . 1 1 43 43 PRO HB3 H 1 2.2000 . . 1 . . . A 43 PRO HB3 . 18302 1 397 . 1 1 43 43 PRO HG2 H 1 1.9500 . . 1 . . . A 43 PRO HG2 . 18302 1 398 . 1 1 43 43 PRO HG3 H 1 1.9500 . . 1 . . . A 43 PRO HG3 . 18302 1 399 . 1 1 43 43 PRO HD2 H 1 3.2000 . . 1 . . . A 43 PRO HD2 . 18302 1 400 . 1 1 43 43 PRO HD3 H 1 3.6000 . . 1 . . . A 43 PRO HD3 . 18302 1 401 . 1 1 43 43 PRO C C 13 177.9090 . . 1 . . . A 43 PRO C . 18302 1 402 . 1 1 43 43 PRO CA C 13 62.2840 . . 1 . . . A 43 PRO CA . 18302 1 403 . 1 1 43 43 PRO CB C 13 31.7330 . . 1 . . . A 43 PRO CB . 18302 1 404 . 1 1 43 43 PRO CG C 13 31.7330 . . 1 . . . A 43 PRO CG . 18302 1 405 . 1 1 43 43 PRO CD C 13 50.0000 . . 1 . . . A 43 PRO CD . 18302 1 406 . 1 1 44 44 THR H H 1 8.9820 . . 1 . . . A 44 THR H . 18302 1 407 . 1 1 44 44 THR HA H 1 4.4500 . . 1 . . . A 44 THR HA . 18302 1 408 . 1 1 44 44 THR HB H 1 4.7000 . . 1 . . . A 44 THR HB . 18302 1 409 . 1 1 44 44 THR C C 13 175.4830 . . 1 . . . A 44 THR C . 18302 1 410 . 1 1 44 44 THR CA C 13 60.5260 . . 1 . . . A 44 THR CA . 18302 1 411 . 1 1 44 44 THR CB C 13 71.5410 . . 1 . . . A 44 THR CB . 18302 1 412 . 1 1 44 44 THR CG2 C 13 21.8560 . . 1 . . . A 44 THR CG2 . 18302 1 413 . 1 1 44 44 THR N N 15 113.3900 . . 1 . . . A 44 THR N . 18302 1 414 . 1 1 45 45 GLU H H 1 8.8540 . . 1 . . . A 45 GLU H . 18302 1 415 . 1 1 45 45 GLU HA H 1 3.9500 . . 1 . . . A 45 GLU HA . 18302 1 416 . 1 1 45 45 GLU HB2 H 1 2.1400 . . 1 . . . A 45 GLU HB2 . 18302 1 417 . 1 1 45 45 GLU HB3 H 1 2.6000 . . 1 . . . A 45 GLU HB3 . 18302 1 418 . 1 1 45 45 GLU HG2 H 1 2.3720 . . 1 . . . A 45 GLU HG2 . 18302 1 419 . 1 1 45 45 GLU HG3 H 1 2.3720 . . 1 . . . A 45 GLU HG3 . 18302 1 420 . 1 1 45 45 GLU C C 13 179.3480 . . 1 . . . A 45 GLU C . 18302 1 421 . 1 1 45 45 GLU CA C 13 59.0000 . . 1 . . . A 45 GLU CA . 18302 1 422 . 1 1 45 45 GLU CB C 13 29.7330 . . 1 . . . A 45 GLU CB . 18302 1 423 . 1 1 45 45 GLU CG C 13 36.2720 . . 1 . . . A 45 GLU CG . 18302 1 424 . 1 1 45 45 GLU N N 15 120.6320 . . 1 . . . A 45 GLU N . 18302 1 425 . 1 1 46 46 ALA H H 1 8.2950 . . 1 . . . A 46 ALA H . 18302 1 426 . 1 1 46 46 ALA HA H 1 4.1210 . . 1 . . . A 46 ALA HA . 18302 1 427 . 1 1 46 46 ALA C C 13 180.3490 . . 1 . . . A 46 ALA C . 18302 1 428 . 1 1 46 46 ALA CA C 13 55.2520 . . 1 . . . A 46 ALA CA . 18302 1 429 . 1 1 46 46 ALA CB C 13 18.5000 . . 1 . . . A 46 ALA CB . 18302 1 430 . 1 1 46 46 ALA N N 15 121.0350 . . 1 . . . A 46 ALA N . 18302 1 431 . 1 1 47 47 GLU H H 1 7.7180 . . 1 . . . A 47 GLU H . 18302 1 432 . 1 1 47 47 GLU HA H 1 3.9370 . . 1 . . . A 47 GLU HA . 18302 1 433 . 1 1 47 47 GLU HB2 H 1 2.1500 . . 1 . . . A 47 GLU HB2 . 18302 1 434 . 1 1 47 47 GLU HB3 H 1 2.6000 . . 1 . . . A 47 GLU HB3 . 18302 1 435 . 1 1 47 47 GLU C C 13 180.5080 . . 1 . . . A 47 GLU C . 18302 1 436 . 1 1 47 47 GLU CA C 13 58.0000 . . 1 . . . A 47 GLU CA . 18302 1 437 . 1 1 47 47 GLU CB C 13 29.8200 . . 1 . . . A 47 GLU CB . 18302 1 438 . 1 1 47 47 GLU CG C 13 37.6530 . . 1 . . . A 47 GLU CG . 18302 1 439 . 1 1 47 47 GLU N N 15 118.8650 . . 1 . . . A 47 GLU N . 18302 1 440 . 1 1 48 48 LEU H H 1 8.0070 . . 1 . . . A 48 LEU H . 18302 1 441 . 1 1 48 48 LEU HA H 1 3.9000 . . 1 . . . A 48 LEU HA . 18302 1 442 . 1 1 48 48 LEU HB2 H 1 2.0640 . . 1 . . . A 48 LEU HB2 . 18302 1 443 . 1 1 48 48 LEU HB3 H 1 1.2160 . . 1 . . . A 48 LEU HB3 . 18302 1 444 . 1 1 48 48 LEU HG H 1 1.7000 . . 1 . . . A 48 LEU HG . 18302 1 445 . 1 1 48 48 LEU C C 13 178.8090 . . 1 . . . A 48 LEU C . 18302 1 446 . 1 1 48 48 LEU CA C 13 58.0000 . . 1 . . . A 48 LEU CA . 18302 1 447 . 1 1 48 48 LEU CB C 13 42.3600 . . 1 . . . A 48 LEU CB . 18302 1 448 . 1 1 48 48 LEU CG C 13 26.6330 . . 1 . . . A 48 LEU CG . 18302 1 449 . 1 1 48 48 LEU CD1 C 13 23.2330 . . 1 . . . A 48 LEU CD1 . 18302 1 450 . 1 1 48 48 LEU CD2 C 13 23.2330 . . 1 . . . A 48 LEU CD2 . 18302 1 451 . 1 1 48 48 LEU N N 15 119.6470 . . 1 . . . A 48 LEU N . 18302 1 452 . 1 1 49 49 GLN H H 1 8.3100 . . 1 . . . A 49 GLN H . 18302 1 453 . 1 1 49 49 GLN HA H 1 3.9590 . . 1 . . . A 49 GLN HA . 18302 1 454 . 1 1 49 49 GLN HB2 H 1 2.6000 . . 1 . . . A 49 GLN HB2 . 18302 1 455 . 1 1 49 49 GLN HB3 H 1 2.1500 . . 1 . . . A 49 GLN HB3 . 18302 1 456 . 1 1 49 49 GLN HG2 H 1 2.4530 . . 1 . . . A 49 GLN HG2 . 18302 1 457 . 1 1 49 49 GLN HG3 H 1 2.4530 . . 1 . . . A 49 GLN HG3 . 18302 1 458 . 1 1 49 49 GLN C C 13 178.7840 . . 1 . . . A 49 GLN C . 18302 1 459 . 1 1 49 49 GLN CA C 13 58.7680 . . 1 . . . A 49 GLN CA . 18302 1 460 . 1 1 49 49 GLN CB C 13 29.7330 . . 1 . . . A 49 GLN CB . 18302 1 461 . 1 1 49 49 GLN CG C 13 33.9320 . . 1 . . . A 49 GLN CG . 18302 1 462 . 1 1 49 49 GLN N N 15 118.8100 . . 1 . . . A 49 GLN N . 18302 1 463 . 1 1 50 50 ASP H H 1 8.2500 . . 1 . . . A 50 ASP H . 18302 1 464 . 1 1 50 50 ASP HA H 1 4.0000 . . 1 . . . A 50 ASP HA . 18302 1 465 . 1 1 50 50 ASP HB2 H 1 2.3000 . . 1 . . . A 50 ASP HB2 . 18302 1 466 . 1 1 50 50 ASP HB3 H 1 3.1000 . . 1 . . . A 50 ASP HB3 . 18302 1 467 . 1 1 50 50 ASP C C 13 179.3790 . . 1 . . . A 50 ASP C . 18302 1 468 . 1 1 50 50 ASP CA C 13 58.0000 . . 1 . . . A 50 ASP CA . 18302 1 469 . 1 1 50 50 ASP CB C 13 38.0000 . . 1 . . . A 50 ASP CB . 18302 1 470 . 1 1 50 50 ASP N N 15 120.1260 . . 1 . . . A 50 ASP N . 18302 1 471 . 1 1 51 51 MET H H 1 7.7130 . . 1 . . . A 51 MET H . 18302 1 472 . 1 1 51 51 MET HA H 1 4.0570 . . 1 . . . A 51 MET HA . 18302 1 473 . 1 1 51 51 MET HB2 H 1 1.9420 . . 1 . . . A 51 MET HB2 . 18302 1 474 . 1 1 51 51 MET HB3 H 1 1.9420 . . 1 . . . A 51 MET HB3 . 18302 1 475 . 1 1 51 51 MET HG2 H 1 2.5600 . . 1 . . . A 51 MET HG2 . 18302 1 476 . 1 1 51 51 MET HG3 H 1 2.5600 . . 1 . . . A 51 MET HG3 . 18302 1 477 . 1 1 51 51 MET C C 13 180.0780 . . 1 . . . A 51 MET C . 18302 1 478 . 1 1 51 51 MET CA C 13 60.5260 . . 1 . . . A 51 MET CA . 18302 1 479 . 1 1 51 51 MET CB C 13 28.6480 . . 1 . . . A 51 MET CB . 18302 1 480 . 1 1 51 51 MET CG C 13 31.5120 . . 1 . . . A 51 MET CG . 18302 1 481 . 1 1 51 51 MET CE C 13 18.0000 . . 1 . . . A 51 MET CE . 18302 1 482 . 1 1 51 51 MET N N 15 119.5830 . . 1 . . . A 51 MET N . 18302 1 483 . 1 1 52 52 ILE H H 1 8.0540 . . 1 . . . A 52 ILE H . 18302 1 484 . 1 1 52 52 ILE HA H 1 3.9500 . . 1 . . . A 52 ILE HA . 18302 1 485 . 1 1 52 52 ILE HB H 1 2.2300 . . 1 . . . A 52 ILE HB . 18302 1 486 . 1 1 52 52 ILE HG12 H 1 1.6000 . . 1 . . . A 52 ILE HG12 . 18302 1 487 . 1 1 52 52 ILE HG13 H 1 1.6500 . . 1 . . . A 52 ILE HG13 . 18302 1 488 . 1 1 52 52 ILE C C 13 178.7520 . . 1 . . . A 52 ILE C . 18302 1 489 . 1 1 52 52 ILE CA C 13 63.6900 . . 1 . . . A 52 ILE CA . 18302 1 490 . 1 1 52 52 ILE CB C 13 36.5000 . . 1 . . . A 52 ILE CB . 18302 1 491 . 1 1 52 52 ILE CG1 C 13 27.8130 . . 1 . . . A 52 ILE CG1 . 18302 1 492 . 1 1 52 52 ILE CG2 C 13 16.8330 . . 1 . . . A 52 ILE CG2 . 18302 1 493 . 1 1 52 52 ILE CD1 C 13 11.2330 . . 1 . . . A 52 ILE CD1 . 18302 1 494 . 1 1 52 52 ILE N N 15 121.1280 . . 1 . . . A 52 ILE N . 18302 1 495 . 1 1 53 53 ASN H H 1 8.9700 . . 1 . . . A 53 ASN H . 18302 1 496 . 1 1 53 53 ASN HA H 1 4.3500 . . 1 . . . A 53 ASN HA . 18302 1 497 . 1 1 53 53 ASN HB2 H 1 2.9000 . . 1 . . . A 53 ASN HB2 . 18302 1 498 . 1 1 53 53 ASN HB3 H 1 3.0000 . . 1 . . . A 53 ASN HB3 . 18302 1 499 . 1 1 53 53 ASN C C 13 177.2880 . . 1 . . . A 53 ASN C . 18302 1 500 . 1 1 53 53 ASN CA C 13 55.5000 . . 1 . . . A 53 ASN CA . 18302 1 501 . 1 1 53 53 ASN CB C 13 37.6720 . . 1 . . . A 53 ASN CB . 18302 1 502 . 1 1 53 53 ASN N N 15 118.7850 . . 1 . . . A 53 ASN N . 18302 1 503 . 1 1 54 54 GLU H H 1 7.6920 . . 1 . . . A 54 GLU H . 18302 1 504 . 1 1 54 54 GLU HA H 1 4.0100 . . 1 . . . A 54 GLU HA . 18302 1 505 . 1 1 54 54 GLU HB2 H 1 2.8000 . . 1 . . . A 54 GLU HB2 . 18302 1 506 . 1 1 54 54 GLU HB3 H 1 2.4000 . . 1 . . . A 54 GLU HB3 . 18302 1 507 . 1 1 54 54 GLU C C 13 177.0920 . . 1 . . . A 54 GLU C . 18302 1 508 . 1 1 54 54 GLU CA C 13 60.0000 . . 1 . . . A 54 GLU CA . 18302 1 509 . 1 1 54 54 GLU CB C 13 30.4060 . . 1 . . . A 54 GLU CB . 18302 1 510 . 1 1 54 54 GLU N N 15 117.1930 . . 1 . . . A 54 GLU N . 18302 1 511 . 1 1 55 55 VAL H H 1 7.2000 . . 1 . . . A 55 VAL H . 18302 1 512 . 1 1 55 55 VAL HA H 1 4.0500 . . 1 . . . A 55 VAL HA . 18302 1 513 . 1 1 55 55 VAL HB H 1 1.8960 . . 1 . . . A 55 VAL HB . 18302 1 514 . 1 1 55 55 VAL C C 13 175.9280 . . 1 . . . A 55 VAL C . 18302 1 515 . 1 1 55 55 VAL CA C 13 61.4000 . . 1 . . . A 55 VAL CA . 18302 1 516 . 1 1 55 55 VAL CB C 13 33.5700 . . 1 . . . A 55 VAL CB . 18302 1 517 . 1 1 55 55 VAL CG1 C 13 22.7330 . . 1 . . . A 55 VAL CG1 . 18302 1 518 . 1 1 55 55 VAL CG2 C 13 22.7330 . . 1 . . . A 55 VAL CG2 . 18302 1 519 . 1 1 55 55 VAL N N 15 113.6210 . . 1 . . . A 55 VAL N . 18302 1 520 . 1 1 56 56 ASP H H 1 7.8900 . . 1 . . . A 56 ASP H . 18302 1 521 . 1 1 56 56 ASP HA H 1 4.5470 . . 1 . . . A 56 ASP HA . 18302 1 522 . 1 1 56 56 ASP HB2 H 1 2.4500 . . 1 . . . A 56 ASP HB2 . 18302 1 523 . 1 1 56 56 ASP HB3 H 1 2.7000 . . 1 . . . A 56 ASP HB3 . 18302 1 524 . 1 1 56 56 ASP C C 13 176.0320 . . 1 . . . A 56 ASP C . 18302 1 525 . 1 1 56 56 ASP CA C 13 54.0800 . . 1 . . . A 56 ASP CA . 18302 1 526 . 1 1 56 56 ASP CB C 13 40.6020 . . 1 . . . A 56 ASP CB . 18302 1 527 . 1 1 56 56 ASP N N 15 120.4760 . . 1 . . . A 56 ASP N . 18302 1 528 . 1 1 57 57 ALA H H 1 8.2000 . . 1 . . . A 57 ALA H . 18302 1 529 . 1 1 57 57 ALA HA H 1 4.5000 . . 1 . . . A 57 ALA HA . 18302 1 530 . 1 1 57 57 ALA C C 13 179.0190 . . 1 . . . A 57 ALA C . 18302 1 531 . 1 1 57 57 ALA CA C 13 54.0800 . . 1 . . . A 57 ALA CA . 18302 1 532 . 1 1 57 57 ALA CB C 13 20.0000 . . 1 . . . A 57 ALA CB . 18302 1 533 . 1 1 57 57 ALA N N 15 106.0000 . . 1 . . . A 57 ALA N . 18302 1 534 . 1 1 58 58 ASP H H 1 8.2880 . . 1 . . . A 58 ASP H . 18302 1 535 . 1 1 58 58 ASP HA H 1 4.6500 . . 1 . . . A 58 ASP HA . 18302 1 536 . 1 1 58 58 ASP HB2 H 1 2.6720 . . 1 . . . A 58 ASP HB2 . 18302 1 537 . 1 1 58 58 ASP HB3 H 1 3.0500 . . 1 . . . A 58 ASP HB3 . 18302 1 538 . 1 1 58 58 ASP C C 13 178.2630 . . 1 . . . A 58 ASP C . 18302 1 539 . 1 1 58 58 ASP CA C 13 52.9080 . . 1 . . . A 58 ASP CA . 18302 1 540 . 1 1 58 58 ASP CB C 13 39.6700 . . 1 . . . A 58 ASP CB . 18302 1 541 . 1 1 58 58 ASP N N 15 114.2170 . . 1 . . . A 58 ASP N . 18302 1 542 . 1 1 59 59 GLY H H 1 7.6510 . . 1 . . . A 59 GLY H . 18302 1 543 . 1 1 59 59 GLY HA2 H 1 3.6000 . . 1 . . . A 59 GLY HA2 . 18302 1 544 . 1 1 59 59 GLY HA3 H 1 4.0000 . . 1 . . . A 59 GLY HA3 . 18302 1 545 . 1 1 59 59 GLY C C 13 175.2780 . . 1 . . . A 59 GLY C . 18302 1 546 . 1 1 59 59 GLY CA C 13 48.0000 . . 1 . . . A 59 GLY CA . 18302 1 547 . 1 1 59 59 GLY N N 15 108.7480 . . 1 . . . A 59 GLY N . 18302 1 548 . 1 1 60 60 ASN H H 1 8.2440 . . 1 . . . A 60 ASN H . 18302 1 549 . 1 1 60 60 ASN HA H 1 4.6150 . . 1 . . . A 60 ASN HA . 18302 1 550 . 1 1 60 60 ASN HB2 H 1 2.7000 . . 1 . . . A 60 ASN HB2 . 18302 1 551 . 1 1 60 60 ASN HB3 H 1 3.3000 . . 1 . . . A 60 ASN HB3 . 18302 1 552 . 1 1 60 60 ASN C C 13 177.1110 . . 1 . . . A 60 ASN C . 18302 1 553 . 1 1 60 60 ASN CA C 13 52.7050 . . 1 . . . A 60 ASN CA . 18302 1 554 . 1 1 60 60 ASN CB C 13 37.6720 . . 1 . . . A 60 ASN CB . 18302 1 555 . 1 1 60 60 ASN N N 15 119.0220 . . 1 . . . A 60 ASN N . 18302 1 556 . 1 1 61 61 GLY H H 1 10.5190 . . 1 . . . A 61 GLY H . 18302 1 557 . 1 1 61 61 GLY HA2 H 1 4.3000 . . 1 . . . A 61 GLY HA2 . 18302 1 558 . 1 1 61 61 GLY HA3 H 1 3.5500 . . 1 . . . A 61 GLY HA3 . 18302 1 559 . 1 1 61 61 GLY C C 13 173.5750 . . 1 . . . A 61 GLY C . 18302 1 560 . 1 1 61 61 GLY CA C 13 45.2900 . . 1 . . . A 61 GLY CA . 18302 1 561 . 1 1 61 61 GLY N N 15 113.3520 . . 1 . . . A 61 GLY N . 18302 1 562 . 1 1 62 62 THR H H 1 7.6990 . . 1 . . . A 62 THR H . 18302 1 563 . 1 1 62 62 THR HA H 1 4.5000 . . 1 . . . A 62 THR HA . 18302 1 564 . 1 1 62 62 THR HB H 1 4.0500 . . 1 . . . A 62 THR HB . 18302 1 565 . 1 1 62 62 THR C C 13 173.5220 . . 1 . . . A 62 THR C . 18302 1 566 . 1 1 62 62 THR CA C 13 59.3540 . . 1 . . . A 62 THR CA . 18302 1 567 . 1 1 62 62 THR CB C 13 72.0000 . . 1 . . . A 62 THR CB . 18302 1 568 . 1 1 62 62 THR CG2 C 13 22.4330 . . 1 . . . A 62 THR CG2 . 18302 1 569 . 1 1 62 62 THR N N 15 108.7280 . . 1 . . . A 62 THR N . 18302 1 570 . 1 1 63 63 ILE H H 1 8.7180 . . 1 . . . A 63 ILE H . 18302 1 571 . 1 1 63 63 ILE HA H 1 5.2300 . . 1 . . . A 63 ILE HA . 18302 1 572 . 1 1 63 63 ILE HB H 1 2.1020 . . 1 . . . A 63 ILE HB . 18302 1 573 . 1 1 63 63 ILE HG12 H 1 1.2000 . . 1 . . . A 63 ILE HG12 . 18302 1 574 . 1 1 63 63 ILE HG13 H 1 1.5700 . . 1 . . . A 63 ILE HG13 . 18302 1 575 . 1 1 63 63 ILE C C 13 175.7830 . . 1 . . . A 63 ILE C . 18302 1 576 . 1 1 63 63 ILE CA C 13 59.3540 . . 1 . . . A 63 ILE CA . 18302 1 577 . 1 1 63 63 ILE CB C 13 40.0160 . . 1 . . . A 63 ILE CB . 18302 1 578 . 1 1 63 63 ILE CG1 C 13 27.2330 . . 1 . . . A 63 ILE CG1 . 18302 1 579 . 1 1 63 63 ILE CG2 C 13 19.2330 . . 1 . . . A 63 ILE CG2 . 18302 1 580 . 1 1 63 63 ILE CD1 C 13 14.6330 . . 1 . . . A 63 ILE CD1 . 18302 1 581 . 1 1 63 63 ILE N N 15 123.7710 . . 1 . . . A 63 ILE N . 18302 1 582 . 1 1 64 64 ASP H H 1 8.8130 . . 1 . . . A 64 ASP H . 18302 1 583 . 1 1 64 64 ASP HA H 1 5.6000 . . 1 . . . A 64 ASP HA . 18302 1 584 . 1 1 64 64 ASP HB2 H 1 2.8170 . . 1 . . . A 64 ASP HB2 . 18302 1 585 . 1 1 64 64 ASP HB3 H 1 3.1600 . . 1 . . . A 64 ASP HB3 . 18302 1 586 . 1 1 64 64 ASP C C 13 176.0960 . . 1 . . . A 64 ASP C . 18302 1 587 . 1 1 64 64 ASP CA C 13 51.7360 . . 1 . . . A 64 ASP CA . 18302 1 588 . 1 1 64 64 ASP CB C 13 42.3600 . . 1 . . . A 64 ASP CB . 18302 1 589 . 1 1 64 64 ASP N N 15 127.8600 . . 1 . . . A 64 ASP N . 18302 1 590 . 1 1 65 65 PHE H H 1 9.0160 . . 1 . . . A 65 PHE H . 18302 1 591 . 1 1 65 65 PHE HA H 1 3.9500 . . 1 . . . A 65 PHE HA . 18302 1 592 . 1 1 65 65 PHE HB2 H 1 2.8100 . . 1 . . . A 65 PHE HB2 . 18302 1 593 . 1 1 65 65 PHE HB3 H 1 2.0500 . . 1 . . . A 65 PHE HB3 . 18302 1 594 . 1 1 65 65 PHE C C 13 173.8680 . . 1 . . . A 65 PHE C . 18302 1 595 . 1 1 65 65 PHE CA C 13 63.1040 . . 1 . . . A 65 PHE CA . 18302 1 596 . 1 1 65 65 PHE CB C 13 36.0200 . . 1 . . . A 65 PHE CB . 18302 1 597 . 1 1 65 65 PHE N N 15 118.4990 . . 1 . . . A 65 PHE N . 18302 1 598 . 1 1 66 66 PRO HA H 1 3.8500 . . 1 . . . A 66 PRO HA . 18302 1 599 . 1 1 66 66 PRO HB2 H 1 2.1900 . . 1 . . . A 66 PRO HB2 . 18302 1 600 . 1 1 66 66 PRO HB3 H 1 1.8900 . . 1 . . . A 66 PRO HB3 . 18302 1 601 . 1 1 66 66 PRO HG2 H 1 1.8500 . . 1 . . . A 66 PRO HG2 . 18302 1 602 . 1 1 66 66 PRO HG3 H 1 2.1500 . . 1 . . . A 66 PRO HG3 . 18302 1 603 . 1 1 66 66 PRO HD2 H 1 3.7600 . . 1 . . . A 66 PRO HD2 . 18302 1 604 . 1 1 66 66 PRO HD3 H 1 3.7600 . . 1 . . . A 66 PRO HD3 . 18302 1 605 . 1 1 66 66 PRO C C 13 179.6480 . . 1 . . . A 66 PRO C . 18302 1 606 . 1 1 66 66 PRO CA C 13 66.7670 . . 1 . . . A 66 PRO CA . 18302 1 607 . 1 1 66 66 PRO CB C 13 30.8330 . . 1 . . . A 66 PRO CB . 18302 1 608 . 1 1 66 66 PRO CG C 13 28.2990 . . 1 . . . A 66 PRO CG . 18302 1 609 . 1 1 66 66 PRO CD C 13 49.0000 . . 1 . . . A 66 PRO CD . 18302 1 610 . 1 1 67 67 GLU H H 1 8.3510 . . 1 . . . A 67 GLU H . 18302 1 611 . 1 1 67 67 GLU HA H 1 4.0500 . . 1 . . . A 67 GLU HA . 18302 1 612 . 1 1 67 67 GLU HB2 H 1 2.1530 . . 1 . . . A 67 GLU HB2 . 18302 1 613 . 1 1 67 67 GLU HB3 H 1 2.2500 . . 1 . . . A 67 GLU HB3 . 18302 1 614 . 1 1 67 67 GLU HG2 H 1 2.6100 . . 1 . . . A 67 GLU HG2 . 18302 1 615 . 1 1 67 67 GLU HG3 H 1 2.2800 . . 1 . . . A 67 GLU HG3 . 18302 1 616 . 1 1 67 67 GLU C C 13 179.6700 . . 1 . . . A 67 GLU C . 18302 1 617 . 1 1 67 67 GLU CA C 13 59.3540 . . 1 . . . A 67 GLU CA . 18302 1 618 . 1 1 67 67 GLU CB C 13 28.2330 . . 1 . . . A 67 GLU CB . 18302 1 619 . 1 1 67 67 GLU CG C 13 35.0000 . . 1 . . . A 67 GLU CG . 18302 1 620 . 1 1 67 67 GLU N N 15 117.9640 . . 1 . . . A 67 GLU N . 18302 1 621 . 1 1 68 68 PHE H H 1 8.5020 . . 1 . . . A 68 PHE H . 18302 1 622 . 1 1 68 68 PHE HA H 1 3.9280 . . 1 . . . A 68 PHE HA . 18302 1 623 . 1 1 68 68 PHE HB2 H 1 3.0500 . . 1 . . . A 68 PHE HB2 . 18302 1 624 . 1 1 68 68 PHE HB3 H 1 3.3000 . . 1 . . . A 68 PHE HB3 . 18302 1 625 . 1 1 68 68 PHE C C 13 176.7920 . . 1 . . . A 68 PHE C . 18302 1 626 . 1 1 68 68 PHE CA C 13 62.5000 . . 1 . . . A 68 PHE CA . 18302 1 627 . 1 1 68 68 PHE CB C 13 40.7000 . . 1 . . . A 68 PHE CB . 18302 1 628 . 1 1 68 68 PHE N N 15 124.0090 . . 1 . . . A 68 PHE N . 18302 1 629 . 1 1 69 69 LEU H H 1 9.0620 . . 1 . . . A 69 LEU H . 18302 1 630 . 1 1 69 69 LEU HA H 1 3.3500 . . 1 . . . A 69 LEU HA . 18302 1 631 . 1 1 69 69 LEU HB2 H 1 1.2800 . . 1 . . . A 69 LEU HB2 . 18302 1 632 . 1 1 69 69 LEU HB3 H 1 1.0100 . . 1 . . . A 69 LEU HB3 . 18302 1 633 . 1 1 69 69 LEU HG H 1 1.1500 . . 1 . . . A 69 LEU HG . 18302 1 634 . 1 1 69 69 LEU C C 13 178.4680 . . 1 . . . A 69 LEU C . 18302 1 635 . 1 1 69 69 LEU CA C 13 57.9190 . . 1 . . . A 69 LEU CA . 18302 1 636 . 1 1 69 69 LEU CB C 13 41.0000 . . 1 . . . A 69 LEU CB . 18302 1 637 . 1 1 69 69 LEU CG C 13 26.7330 . . 1 . . . A 69 LEU CG . 18302 1 638 . 1 1 69 69 LEU CD1 C 13 25.2330 . . 1 . . . A 69 LEU CD1 . 18302 1 639 . 1 1 69 69 LEU CD2 C 13 23.6330 . . 1 . . . A 69 LEU CD2 . 18302 1 640 . 1 1 69 69 LEU N N 15 119.9860 . . 1 . . . A 69 LEU N . 18302 1 641 . 1 1 70 70 THR H H 1 7.7100 . . 1 . . . A 70 THR H . 18302 1 642 . 1 1 70 70 THR HA H 1 4.1000 . . 1 . . . A 70 THR HA . 18302 1 643 . 1 1 70 70 THR HB H 1 3.6500 . . 1 . . . A 70 THR HB . 18302 1 644 . 1 1 70 70 THR C C 13 176.3910 . . 1 . . . A 70 THR C . 18302 1 645 . 1 1 70 70 THR CA C 13 61.8330 . . 1 . . . A 70 THR CA . 18302 1 646 . 1 1 70 70 THR CB C 13 68.2670 . . 1 . . . A 70 THR CB . 18302 1 647 . 1 1 70 70 THR CG2 C 13 21.3440 . . 1 . . . A 70 THR CG2 . 18302 1 648 . 1 1 70 70 THR N N 15 114.8340 . . 1 . . . A 70 THR N . 18302 1 649 . 1 1 71 71 MET H H 1 7.0340 . . 1 . . . A 71 MET H . 18302 1 650 . 1 1 71 71 MET HA H 1 3.8500 . . 1 . . . A 71 MET HA . 18302 1 651 . 1 1 71 71 MET HB2 H 1 2.0100 . . 1 . . . A 71 MET HB2 . 18302 1 652 . 1 1 71 71 MET HB3 H 1 2.1000 . . 1 . . . A 71 MET HB3 . 18302 1 653 . 1 1 71 71 MET HG2 H 1 1.8000 . . 1 . . . A 71 MET HG2 . 18302 1 654 . 1 1 71 71 MET HG3 H 1 1.8000 . . 1 . . . A 71 MET HG3 . 18302 1 655 . 1 1 71 71 MET C C 13 178.1450 . . 1 . . . A 71 MET C . 18302 1 656 . 1 1 71 71 MET CA C 13 58.7680 . . 1 . . . A 71 MET CA . 18302 1 657 . 1 1 71 71 MET CB C 13 31.2330 . . 1 . . . A 71 MET CB . 18302 1 658 . 1 1 71 71 MET CE C 13 15.6000 . . 1 . . . A 71 MET CE . 18302 1 659 . 1 1 71 71 MET N N 15 120.2330 . . 1 . . . A 71 MET N . 18302 1 660 . 1 1 72 72 MET H H 1 7.8390 . . 1 . . . A 72 MET H . 18302 1 661 . 1 1 72 72 MET HA H 1 3.8000 . . 1 . . . A 72 MET HA . 18302 1 662 . 1 1 72 72 MET HB2 H 1 1.4000 . . 1 . . . A 72 MET HB2 . 18302 1 663 . 1 1 72 72 MET HB3 H 1 1.5300 . . 1 . . . A 72 MET HB3 . 18302 1 664 . 1 1 72 72 MET HG2 H 1 0.7300 . . 1 . . . A 72 MET HG2 . 18302 1 665 . 1 1 72 72 MET HG3 H 1 0.9800 . . 1 . . . A 72 MET HG3 . 18302 1 666 . 1 1 72 72 MET C C 13 178.9300 . . 1 . . . A 72 MET C . 18302 1 667 . 1 1 72 72 MET CA C 13 56.5000 . . 1 . . . A 72 MET CA . 18302 1 668 . 1 1 72 72 MET CB C 13 32.7330 . . 1 . . . A 72 MET CB . 18302 1 669 . 1 1 72 72 MET CG C 13 30.2330 . . 1 . . . A 72 MET CG . 18302 1 670 . 1 1 72 72 MET CE C 13 15.8000 . . 1 . . . A 72 MET CE . 18302 1 671 . 1 1 72 72 MET N N 15 118.6210 . . 1 . . . A 72 MET N . 18302 1 672 . 1 1 73 73 ALA H H 1 8.2400 . . 1 . . . A 73 ALA H . 18302 1 673 . 1 1 73 73 ALA HA H 1 4.1350 . . 1 . . . A 73 ALA HA . 18302 1 674 . 1 1 73 73 ALA C C 13 179.3320 . . 1 . . . A 73 ALA C . 18302 1 675 . 1 1 73 73 ALA CA C 13 54.0800 . . 1 . . . A 73 ALA CA . 18302 1 676 . 1 1 73 73 ALA CB C 13 18.4530 . . 1 . . . A 73 ALA CB . 18302 1 677 . 1 1 73 73 ALA N N 15 120.5670 . . 1 . . . A 73 ALA N . 18302 1 678 . 1 1 74 74 ARG H H 1 7.3820 . . 1 . . . A 74 ARG H . 18302 1 679 . 1 1 74 74 ARG HA H 1 4.1370 . . 1 . . . A 74 ARG HA . 18302 1 680 . 1 1 74 74 ARG HB2 H 1 1.9000 . . 1 . . . A 74 ARG HB2 . 18302 1 681 . 1 1 74 74 ARG HB3 H 1 1.9000 . . 1 . . . A 74 ARG HB3 . 18302 1 682 . 1 1 74 74 ARG HG2 H 1 1.6500 . . 1 . . . A 74 ARG HG2 . 18302 1 683 . 1 1 74 74 ARG HG3 H 1 1.7800 . . 1 . . . A 74 ARG HG3 . 18302 1 684 . 1 1 74 74 ARG HD2 H 1 3.1520 . . 1 . . . A 74 ARG HD2 . 18302 1 685 . 1 1 74 74 ARG HD3 H 1 3.3500 . . 1 . . . A 74 ARG HD3 . 18302 1 686 . 1 1 74 74 ARG C C 13 177.5110 . . 1 . . . A 74 ARG C . 18302 1 687 . 1 1 74 74 ARG CA C 13 57.5960 . . 1 . . . A 74 ARG CA . 18302 1 688 . 1 1 74 74 ARG CB C 13 30.4060 . . 1 . . . A 74 ARG CB . 18302 1 689 . 1 1 74 74 ARG CG C 13 27.2330 . . 1 . . . A 74 ARG CG . 18302 1 690 . 1 1 74 74 ARG CD C 13 43.7810 . . 1 . . . A 74 ARG CD . 18302 1 691 . 1 1 74 74 ARG N N 15 116.7840 . . 1 . . . A 74 ARG N . 18302 1 692 . 1 1 75 75 LYS H H 1 7.7320 . . 1 . . . A 75 LYS H . 18302 1 693 . 1 1 75 75 LYS HA H 1 4.3060 . . 1 . . . A 75 LYS HA . 18302 1 694 . 1 1 75 75 LYS HB2 H 1 1.8000 . . 1 . . . A 75 LYS HB2 . 18302 1 695 . 1 1 75 75 LYS HB3 H 1 1.9000 . . 1 . . . A 75 LYS HB3 . 18302 1 696 . 1 1 75 75 LYS HG2 H 1 1.5000 . . 1 . . . A 75 LYS HG2 . 18302 1 697 . 1 1 75 75 LYS HG3 H 1 1.5000 . . 1 . . . A 75 LYS HG3 . 18302 1 698 . 1 1 75 75 LYS HD2 H 1 2.4890 . . 1 . . . A 75 LYS HD2 . 18302 1 699 . 1 1 75 75 LYS HD3 H 1 2.4890 . . 1 . . . A 75 LYS HD3 . 18302 1 700 . 1 1 75 75 LYS HE2 H 1 2.7200 . . 1 . . . A 75 LYS HE2 . 18302 1 701 . 1 1 75 75 LYS HE3 H 1 2.7200 . . 1 . . . A 75 LYS HE3 . 18302 1 702 . 1 1 75 75 LYS C C 13 176.9370 . . 1 . . . A 75 LYS C . 18302 1 703 . 1 1 75 75 LYS CA C 13 55.0000 . . 1 . . . A 75 LYS CA . 18302 1 704 . 1 1 75 75 LYS CB C 13 32.7500 . . 1 . . . A 75 LYS CB . 18302 1 705 . 1 1 75 75 LYS CG C 13 24.5450 . . 1 . . . A 75 LYS CG . 18302 1 706 . 1 1 75 75 LYS CD C 13 28.6890 . . 1 . . . A 75 LYS CD . 18302 1 707 . 1 1 75 75 LYS CE C 13 42.0810 . . 1 . . . A 75 LYS CE . 18302 1 708 . 1 1 75 75 LYS N N 15 118.5480 . . 1 . . . A 75 LYS N . 18302 1 709 . 1 1 76 76 MET H H 1 7.8630 . . 1 . . . A 76 MET H . 18302 1 710 . 1 1 76 76 MET HA H 1 4.4430 . . 1 . . . A 76 MET HA . 18302 1 711 . 1 1 76 76 MET HB2 H 1 1.8000 . . 1 . . . A 76 MET HB2 . 18302 1 712 . 1 1 76 76 MET HB3 H 1 1.9000 . . 1 . . . A 76 MET HB3 . 18302 1 713 . 1 1 76 76 MET HG2 H 1 2.7000 . . 1 . . . A 76 MET HG2 . 18302 1 714 . 1 1 76 76 MET HG3 H 1 2.7000 . . 1 . . . A 76 MET HG3 . 18302 1 715 . 1 1 76 76 MET C C 13 175.5390 . . 1 . . . A 76 MET C . 18302 1 716 . 1 1 76 76 MET CA C 13 55.5000 . . 1 . . . A 76 MET CA . 18302 1 717 . 1 1 76 76 MET CB C 13 32.7330 . . 1 . . . A 76 MET CB . 18302 1 718 . 1 1 76 76 MET CG C 13 31.8980 . . 1 . . . A 76 MET CG . 18302 1 719 . 1 1 76 76 MET N N 15 120.3670 . . 1 . . . A 76 MET N . 18302 1 720 . 1 1 77 77 LYS H H 1 7.8490 . . 1 . . . A 77 LYS H . 18302 1 721 . 1 1 77 77 LYS HA H 1 4.2000 . . 1 . . . A 77 LYS HA . 18302 1 722 . 1 1 77 77 LYS HB2 H 1 1.7630 . . 1 . . . A 77 LYS HB2 . 18302 1 723 . 1 1 77 77 LYS HB3 H 1 1.7630 . . 1 . . . A 77 LYS HB3 . 18302 1 724 . 1 1 77 77 LYS HG2 H 1 1.4310 . . 1 . . . A 77 LYS HG2 . 18302 1 725 . 1 1 77 77 LYS HG3 H 1 1.4310 . . 1 . . . A 77 LYS HG3 . 18302 1 726 . 1 1 77 77 LYS C C 13 181.5590 . . 1 . . . A 77 LYS C . 18302 1 727 . 1 1 77 77 LYS CA C 13 57.5960 . . 1 . . . A 77 LYS CA . 18302 1 728 . 1 1 77 77 LYS CB C 13 33.5700 . . 1 . . . A 77 LYS CB . 18302 1 729 . 1 1 77 77 LYS N N 15 127.5000 . . 1 . . . A 77 LYS N . 18302 1 730 . 2 2 2 2 THR C C 13 175.4630 . . 1 . . . B 46 THR C . 18302 1 731 . 2 2 2 2 THR CA C 13 62.3240 . . 1 . . . B 46 THR CA . 18302 1 732 . 2 2 2 2 THR CB C 13 70.0880 . . 1 . . . B 46 THR CB . 18302 1 733 . 2 2 3 3 GLY H H 1 8.7200 . . 1 . . . B 47 GLY H . 18302 1 734 . 2 2 3 3 GLY HA2 H 1 3.9830 . . 1 . . . B 47 GLY HA2 . 18302 1 735 . 2 2 3 3 GLY HA3 H 1 3.9830 . . 1 . . . B 47 GLY HA3 . 18302 1 736 . 2 2 3 3 GLY C C 13 174.9980 . . 1 . . . B 47 GLY C . 18302 1 737 . 2 2 3 3 GLY CA C 13 45.9210 . . 1 . . . B 47 GLY CA . 18302 1 738 . 2 2 3 3 GLY N N 15 111.2320 . . 1 . . . B 47 GLY N . 18302 1 739 . 2 2 4 4 ALA H H 1 8.3650 . . 1 . . . B 48 ALA H . 18302 1 740 . 2 2 4 4 ALA HA H 1 4.2820 . . 1 . . . B 48 ALA HA . 18302 1 741 . 2 2 4 4 ALA C C 13 177.8660 . . 1 . . . B 48 ALA C . 18302 1 742 . 2 2 4 4 ALA CA C 13 53.8250 . . 1 . . . B 48 ALA CA . 18302 1 743 . 2 2 4 4 ALA CB C 13 19.3870 . . 1 . . . B 48 ALA CB . 18302 1 744 . 2 2 4 4 ALA N N 15 124.4170 . . 1 . . . B 48 ALA N . 18302 1 745 . 2 2 5 5 ALA H H 1 8.3180 . . 1 . . . B 49 ALA H . 18302 1 746 . 2 2 5 5 ALA HA H 1 4.2460 . . 1 . . . B 49 ALA HA . 18302 1 747 . 2 2 5 5 ALA C C 13 178.6470 . . 1 . . . B 49 ALA C . 18302 1 748 . 2 2 5 5 ALA CA C 13 53.1710 . . 1 . . . B 49 ALA CA . 18302 1 749 . 2 2 5 5 ALA CB C 13 16.1490 . . 1 . . . B 49 ALA CB . 18302 1 750 . 2 2 5 5 ALA N N 15 122.1290 . . 1 . . . B 49 ALA N . 18302 1 751 . 2 2 6 6 LEU H H 1 8.1260 . . 1 . . . B 50 LEU H . 18302 1 752 . 2 2 6 6 LEU HA H 1 4.1250 . . 1 . . . B 50 LEU HA . 18302 1 753 . 2 2 6 6 LEU HB2 H 1 1.6050 . . 1 . . . B 50 LEU HB2 . 18302 1 754 . 2 2 6 6 LEU HB3 H 1 1.5970 . . 1 . . . B 50 LEU HB3 . 18302 1 755 . 2 2 6 6 LEU HG H 1 1.3600 . . 1 . . . B 50 LEU HG . 18302 1 756 . 2 2 6 6 LEU C C 13 177.3670 . . 1 . . . B 50 LEU C . 18302 1 757 . 2 2 6 6 LEU CA C 13 55.7260 . . 1 . . . B 50 LEU CA . 18302 1 758 . 2 2 6 6 LEU CB C 13 42.1000 . . 1 . . . B 50 LEU CB . 18302 1 759 . 2 2 6 6 LEU N N 15 120.8170 . . 1 . . . B 50 LEU N . 18302 1 760 . 2 2 7 7 SER H H 1 7.9170 . . 1 . . . B 51 SER H . 18302 1 761 . 2 2 7 7 SER HB2 H 1 3.9010 . . 1 . . . B 51 SER HB2 . 18302 1 762 . 2 2 7 7 SER HB3 H 1 3.9010 . . 1 . . . B 51 SER HB3 . 18302 1 763 . 2 2 7 7 SER C C 13 175.9390 . . 1 . . . B 51 SER C . 18302 1 764 . 2 2 7 7 SER CA C 13 61.4290 . . 1 . . . B 51 SER CA . 18302 1 765 . 2 2 7 7 SER N N 15 116.2730 . . 1 . . . B 51 SER N . 18302 1 766 . 2 2 8 8 TRP H H 1 8.7320 . . 1 . . . B 52 TRP H . 18302 1 767 . 2 2 8 8 TRP HA H 1 4.5970 . . 1 . . . B 52 TRP HA . 18302 1 768 . 2 2 8 8 TRP HB2 H 1 3.0170 . . 1 . . . B 52 TRP HB2 . 18302 1 769 . 2 2 8 8 TRP HB3 H 1 3.1070 . . 1 . . . B 52 TRP HB3 . 18302 1 770 . 2 2 8 8 TRP HD1 H 1 7.3180 . . 1 . . . B 52 TRP HD1 . 18302 1 771 . 2 2 8 8 TRP HE3 H 1 9.9490 . . 1 . . . B 52 TRP HE3 . 18302 1 772 . 2 2 8 8 TRP HZ2 H 1 6.9020 . . 1 . . . B 52 TRP HZ2 . 18302 1 773 . 2 2 8 8 TRP HZ3 H 1 5.8070 . . 1 . . . B 52 TRP HZ3 . 18302 1 774 . 2 2 8 8 TRP HH2 H 1 6.5820 . . 1 . . . B 52 TRP HH2 . 18302 1 775 . 2 2 8 8 TRP C C 13 178.3770 . . 1 . . . B 52 TRP C . 18302 1 776 . 2 2 8 8 TRP CA C 13 61.6650 . . 1 . . . B 52 TRP CA . 18302 1 777 . 2 2 8 8 TRP CB C 13 29.3880 . . 1 . . . B 52 TRP CB . 18302 1 778 . 2 2 8 8 TRP N N 15 123.1320 . . 1 . . . B 52 TRP N . 18302 1 779 . 2 2 9 9 GLN H H 1 8.4800 . . 1 . . . B 53 GLN H . 18302 1 780 . 2 2 9 9 GLN HA H 1 3.9690 . . 1 . . . B 53 GLN HA . 18302 1 781 . 2 2 9 9 GLN HB2 H 1 2.1000 . . 1 . . . B 53 GLN HB2 . 18302 1 782 . 2 2 9 9 GLN HB3 H 1 2.1520 . . 1 . . . B 53 GLN HB3 . 18302 1 783 . 2 2 9 9 GLN HG2 H 1 2.4280 . . 1 . . . B 53 GLN HG2 . 18302 1 784 . 2 2 9 9 GLN HG3 H 1 2.4280 . . 1 . . . B 53 GLN HG3 . 18302 1 785 . 2 2 9 9 GLN C C 13 177.7790 . . 1 . . . B 53 GLN C . 18302 1 786 . 2 2 9 9 GLN CA C 13 59.3320 . . 1 . . . B 53 GLN CA . 18302 1 787 . 2 2 9 9 GLN CB C 13 28.1500 . . 1 . . . B 53 GLN CB . 18302 1 788 . 2 2 9 9 GLN N N 15 117.1150 . . 1 . . . B 53 GLN N . 18302 1 789 . 2 2 10 10 ALA H H 1 8.0030 . . 1 . . . B 54 ALA H . 18302 1 790 . 2 2 10 10 ALA HA H 1 4.2680 . . 1 . . . B 54 ALA HA . 18302 1 791 . 2 2 10 10 ALA C C 13 181.0230 . . 1 . . . B 54 ALA C . 18302 1 792 . 2 2 10 10 ALA CA C 13 54.6400 . . 1 . . . B 54 ALA CA . 18302 1 793 . 2 2 10 10 ALA CB C 13 18.6090 . . 1 . . . B 54 ALA CB . 18302 1 794 . 2 2 10 10 ALA N N 15 120.5570 . . 1 . . . B 54 ALA N . 18302 1 795 . 2 2 11 11 ALA H H 1 8.2830 . . 1 . . . B 55 ALA H . 18302 1 796 . 2 2 11 11 ALA HA H 1 4.1170 . . 1 . . . B 55 ALA HA . 18302 1 797 . 2 2 11 11 ALA C C 13 179.0690 . . 1 . . . B 55 ALA C . 18302 1 798 . 2 2 11 11 ALA CA C 13 55.4780 . . 1 . . . B 55 ALA CA . 18302 1 799 . 2 2 11 11 ALA CB C 13 18.2350 . . 1 . . . B 55 ALA CB . 18302 1 800 . 2 2 11 11 ALA N N 15 122.4420 . . 1 . . . B 55 ALA N . 18302 1 801 . 2 2 12 12 ILE H H 1 8.6820 . . 1 . . . B 56 ILE H . 18302 1 802 . 2 2 12 12 ILE HA H 1 3.8110 . . 1 . . . B 56 ILE HA . 18302 1 803 . 2 2 12 12 ILE HB H 1 2.0960 . . 1 . . . B 56 ILE HB . 18302 1 804 . 2 2 12 12 ILE HG12 H 1 1.0390 . . 1 . . . B 56 ILE HG12 . 18302 1 805 . 2 2 12 12 ILE HG13 H 1 1.0390 . . 1 . . . B 56 ILE HG13 . 18302 1 806 . 2 2 12 12 ILE C C 13 177.9680 . . 1 . . . B 56 ILE C . 18302 1 807 . 2 2 12 12 ILE CA C 13 65.9500 . . 1 . . . B 56 ILE CA . 18302 1 808 . 2 2 12 12 ILE CB C 13 38.3150 . . 1 . . . B 56 ILE CB . 18302 1 809 . 2 2 12 12 ILE N N 15 119.0350 . . 1 . . . B 56 ILE N . 18302 1 810 . 2 2 13 13 ASP H H 1 8.3930 . . 1 . . . B 57 ASP H . 18302 1 811 . 2 2 13 13 ASP HA H 1 4.4000 . . 1 . . . B 57 ASP HA . 18302 1 812 . 2 2 13 13 ASP HB2 H 1 2.6790 . . 1 . . . B 57 ASP HB2 . 18302 1 813 . 2 2 13 13 ASP HB3 H 1 2.7500 . . 1 . . . B 57 ASP HB3 . 18302 1 814 . 2 2 13 13 ASP C C 13 179.1170 . . 1 . . . B 57 ASP C . 18302 1 815 . 2 2 13 13 ASP CA C 13 53.6900 . . 1 . . . B 57 ASP CA . 18302 1 816 . 2 2 13 13 ASP CB C 13 40.6400 . . 1 . . . B 57 ASP CB . 18302 1 817 . 2 2 13 13 ASP N N 15 119.1600 . . 1 . . . B 57 ASP N . 18302 1 818 . 2 2 14 14 ALA H H 1 8.1530 . . 1 . . . B 58 ALA H . 18302 1 819 . 2 2 14 14 ALA HA H 1 4.5000 . . 1 . . . B 58 ALA HA . 18302 1 820 . 2 2 14 14 ALA C C 13 180.6050 . . 1 . . . B 58 ALA C . 18302 1 821 . 2 2 14 14 ALA CA C 13 54.9680 . . 1 . . . B 58 ALA CA . 18302 1 822 . 2 2 14 14 ALA CB C 13 18.5340 . . 1 . . . B 58 ALA CB . 18302 1 823 . 2 2 14 14 ALA N N 15 122.0770 . . 1 . . . B 58 ALA N . 18302 1 824 . 2 2 15 15 ALA H H 1 8.8070 . . 1 . . . B 59 ALA H . 18302 1 825 . 2 2 15 15 ALA HA H 1 4.0460 . . 1 . . . B 59 ALA HA . 18302 1 826 . 2 2 15 15 ALA C C 13 180.3850 . . 1 . . . B 59 ALA C . 18302 1 827 . 2 2 15 15 ALA CA C 13 54.9290 . . 1 . . . B 59 ALA CA . 18302 1 828 . 2 2 15 15 ALA CB C 13 18.3950 . . 1 . . . B 59 ALA CB . 18302 1 829 . 2 2 15 15 ALA N N 15 123.1200 . . 1 . . . B 59 ALA N . 18302 1 830 . 2 2 16 16 ARG H H 1 8.6740 . . 1 . . . B 60 ARG H . 18302 1 831 . 2 2 16 16 ARG HA H 1 3.9880 . . 1 . . . B 60 ARG HA . 18302 1 832 . 2 2 16 16 ARG HB2 H 1 2.0050 . . 1 . . . B 60 ARG HB2 . 18302 1 833 . 2 2 16 16 ARG HB3 H 1 2.0050 . . 1 . . . B 60 ARG HB3 . 18302 1 834 . 2 2 16 16 ARG HG2 H 1 1.6910 . . 1 . . . B 60 ARG HG2 . 18302 1 835 . 2 2 16 16 ARG HG3 H 1 1.6910 . . 1 . . . B 60 ARG HG3 . 18302 1 836 . 2 2 16 16 ARG HD2 H 1 3.2520 . . 1 . . . B 60 ARG HD2 . 18302 1 837 . 2 2 16 16 ARG HD3 H 1 3.2520 . . 1 . . . B 60 ARG HD3 . 18302 1 838 . 2 2 16 16 ARG C C 13 179.3480 . . 1 . . . B 60 ARG C . 18302 1 839 . 2 2 16 16 ARG CA C 13 59.6080 . . 1 . . . B 60 ARG CA . 18302 1 840 . 2 2 16 16 ARG CB C 13 30.2950 . . 1 . . . B 60 ARG CB . 18302 1 841 . 2 2 16 16 ARG N N 15 119.7050 . . 1 . . . B 60 ARG N . 18302 1 842 . 2 2 17 17 GLN H H 1 8.0530 . . 1 . . . B 61 GLN H . 18302 1 843 . 2 2 17 17 GLN HA H 1 4.0960 . . 1 . . . B 61 GLN HA . 18302 1 844 . 2 2 17 17 GLN HB2 H 1 2.1500 . . 1 . . . B 61 GLN HB2 . 18302 1 845 . 2 2 17 17 GLN HB3 H 1 2.2150 . . 1 . . . B 61 GLN HB3 . 18302 1 846 . 2 2 17 17 GLN HG2 H 1 2.4860 . . 1 . . . B 61 GLN HG2 . 18302 1 847 . 2 2 17 17 GLN HG3 H 1 2.4860 . . 1 . . . B 61 GLN HG3 . 18302 1 848 . 2 2 17 17 GLN C C 13 177.6150 . . 1 . . . B 61 GLN C . 18302 1 849 . 2 2 17 17 GLN CA C 13 58.2300 . . 1 . . . B 61 GLN CA . 18302 1 850 . 2 2 17 17 GLN CB C 13 28.4770 . . 1 . . . B 61 GLN CB . 18302 1 851 . 2 2 17 17 GLN N N 15 119.1320 . . 1 . . . B 61 GLN N . 18302 1 852 . 2 2 18 18 ALA H H 1 7.9200 . . 1 . . . B 62 ALA H . 18302 1 853 . 2 2 18 18 ALA HA H 1 4.1770 . . 1 . . . B 62 ALA HA . 18302 1 854 . 2 2 18 18 ALA C C 13 179.3110 . . 1 . . . B 62 ALA C . 18302 1 855 . 2 2 18 18 ALA CA C 13 53.9470 . . 1 . . . B 62 ALA CA . 18302 1 856 . 2 2 18 18 ALA CB C 13 18.5360 . . 1 . . . B 62 ALA CB . 18302 1 857 . 2 2 18 18 ALA N N 15 120.9100 . . 1 . . . B 62 ALA N . 18302 1 858 . 2 2 19 19 LYS H H 1 7.6800 . . 1 . . . B 63 LYS H . 18302 1 859 . 2 2 19 19 LYS HA H 1 4.1560 . . 1 . . . B 63 LYS HA . 18302 1 860 . 2 2 19 19 LYS HB2 H 1 1.9210 . . 1 . . . B 63 LYS HB2 . 18302 1 861 . 2 2 19 19 LYS HB3 H 1 1.9210 . . 1 . . . B 63 LYS HB3 . 18302 1 862 . 2 2 19 19 LYS HG2 H 1 1.4480 . . 1 . . . B 63 LYS HG2 . 18302 1 863 . 2 2 19 19 LYS HG3 H 1 1.6630 . . 1 . . . B 63 LYS HG3 . 18302 1 864 . 2 2 19 19 LYS HE2 H 1 2.9190 . . 1 . . . B 63 LYS HE2 . 18302 1 865 . 2 2 19 19 LYS HE3 H 1 2.9190 . . 1 . . . B 63 LYS HE3 . 18302 1 866 . 2 2 19 19 LYS C C 13 178.3240 . . 1 . . . B 63 LYS C . 18302 1 867 . 2 2 19 19 LYS CA C 13 57.8870 . . 1 . . . B 63 LYS CA . 18302 1 868 . 2 2 19 19 LYS CB C 13 31.7800 . . 1 . . . B 63 LYS CB . 18302 1 869 . 2 2 19 19 LYS N N 15 117.8630 . . 1 . . . B 63 LYS N . 18302 1 870 . 2 2 20 20 LEU H H 1 7.8950 . . 1 . . . B 64 LEU H . 18302 1 871 . 2 2 20 20 LEU HA H 1 4.1930 . . 1 . . . B 64 LEU HA . 18302 1 872 . 2 2 20 20 LEU HB2 H 1 1.7040 . . 1 . . . B 64 LEU HB2 . 18302 1 873 . 2 2 20 20 LEU HB3 H 1 1.7040 . . 1 . . . B 64 LEU HB3 . 18302 1 874 . 2 2 20 20 LEU C C 13 178.4590 . . 1 . . . B 64 LEU C . 18302 1 875 . 2 2 20 20 LEU CA C 13 56.4430 . . 1 . . . B 64 LEU CA . 18302 1 876 . 2 2 20 20 LEU CB C 13 42.1610 . . 1 . . . B 64 LEU CB . 18302 1 877 . 2 2 20 20 LEU N N 15 119.6970 . . 1 . . . B 64 LEU N . 18302 1 878 . 2 2 21 21 MET H H 1 7.9580 . . 1 . . . B 65 MET H . 18302 1 879 . 2 2 21 21 MET HA H 1 4.4720 . . 1 . . . B 65 MET HA . 18302 1 880 . 2 2 21 21 MET HB2 H 1 2.1710 . . 1 . . . B 65 MET HB2 . 18302 1 881 . 2 2 21 21 MET HB3 H 1 2.1710 . . 1 . . . B 65 MET HB3 . 18302 1 882 . 2 2 21 21 MET HG2 H 1 2.6250 . . 1 . . . B 65 MET HG2 . 18302 1 883 . 2 2 21 21 MET HG3 H 1 2.6250 . . 1 . . . B 65 MET HG3 . 18302 1 884 . 2 2 21 21 MET C C 13 177.0530 . . 1 . . . B 65 MET C . 18302 1 885 . 2 2 21 21 MET CA C 13 55.8890 . . 1 . . . B 65 MET CA . 18302 1 886 . 2 2 21 21 MET CB C 13 33.0100 . . 1 . . . B 65 MET CB . 18302 1 887 . 2 2 21 21 MET N N 15 117.1840 . . 1 . . . B 65 MET N . 18302 1 888 . 2 2 22 22 GLY H H 1 8.1150 . . 1 . . . B 66 GLY H . 18302 1 889 . 2 2 22 22 GLY HA2 H 1 4.0380 . . 1 . . . B 66 GLY HA2 . 18302 1 890 . 2 2 22 22 GLY HA3 H 1 4.0380 . . 1 . . . B 66 GLY HA3 . 18302 1 891 . 2 2 22 22 GLY C C 13 174.1370 . . 1 . . . B 66 GLY C . 18302 1 892 . 2 2 22 22 GLY CA C 13 45.5900 . . 1 . . . B 66 GLY CA . 18302 1 893 . 2 2 22 22 GLY N N 15 108.6470 . . 1 . . . B 66 GLY N . 18302 1 894 . 2 2 23 23 SER H H 1 8.1270 . . 1 . . . B 67 SER H . 18302 1 895 . 2 2 23 23 SER HA H 1 4.4720 . . 1 . . . B 67 SER HA . 18302 1 896 . 2 2 23 23 SER HB2 H 1 4.1000 . . 1 . . . B 67 SER HB2 . 18302 1 897 . 2 2 23 23 SER HB3 H 1 3.8770 . . 1 . . . B 67 SER HB3 . 18302 1 898 . 2 2 23 23 SER C C 13 173.3000 . . 1 . . . B 67 SER C . 18302 1 899 . 2 2 23 23 SER CA C 13 58.1820 . . 1 . . . B 67 SER CA . 18302 1 900 . 2 2 23 23 SER CB C 13 64.3890 . . 1 . . . B 67 SER CB . 18302 1 901 . 2 2 23 23 SER N N 15 115.6220 . . 1 . . . B 67 SER N . 18302 1 902 . 2 2 24 24 ALA H H 1 7.9840 . . 1 . . . B 68 ALA H . 18302 1 903 . 2 2 24 24 ALA HA H 1 4.2000 . . 1 . . . B 68 ALA HA . 18302 1 904 . 2 2 24 24 ALA CA C 13 54.1160 . . 1 . . . B 68 ALA CA . 18302 1 905 . 2 2 24 24 ALA CB C 13 20.2480 . . 1 . . . B 68 ALA CB . 18302 1 906 . 2 2 24 24 ALA N N 15 131.3510 . . 1 . . . B 68 ALA N . 18302 1 stop_ save_