data_18419 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18419 _Entry.Title ; B2 domain of Neisseria meningitidis Pilus assembly protein PilQ ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-24 _Entry.Accession_date 2012-04-24 _Entry.Last_release_date 2013-01-03 _Entry.Original_release_date 2013-01-03 _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 Marie Phelan . M. . 18419 2 J. Berry . L. . 18419 3 J. Derrick . P. . 18419 4 L. Lian . Y. . 18419 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' . 18419 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . LianGroup 'NMR Centre for Structural Biology, Biological Sciences, University of Liverpool, Crown Street, Liverpool, L69 7ZB, UK' 18419 2 . DerrickGroup 'Michael Smith Building, Oxford Road, University of Manchester, Manchester, M13 9PT' 18419 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Niesseria meningitidis' . 18419 PilQ . 18419 secretin . 18419 B2 . 18419 pilus . 18419 'Type IV pili' . 18419 'type II secretion system' . 18419 'TRANSPORT PROTEIN' . 18419 'TYPE II SECRETION' . 18419 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18419 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 831 18419 '13C chemical shifts' 529 18419 '15N chemical shifts' 124 18419 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 1 . . 2013-01-03 2012-04-24 original author . 18419 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18419 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23028322 _Citation.Full_citation . _Citation.Title 'Structure and assembly of a trans-periplasmic channel for type IV pili in Neisseria meningitidis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Pathog.' _Citation.Journal_name_full 'PLoS pathogens' _Citation.Journal_volume 8 _Citation.Journal_issue 9 _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 . _Citation.Page_last . _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 Jamie-Lee Berry . . . 18419 1 2 Marie Phelan . M. . 18419 1 3 Richard Collins . F. . 18419 1 4 Tomas Adomavicius . . . 18419 1 5 Tone Tnjum . . . 18419 1 6 Stefan Frye . A. . 18419 1 7 Louise Bird . . . 18419 1 8 Ray Owens . . . 18419 1 9 Robert Ford . C. . 18419 1 10 Lu-Yun Lian . . . 18419 1 11 Jeremy Derrick . P. . 18419 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18419 _Assembly.ID 1 _Assembly.Name 'B2 domain of Neisseria meningitidis Pilus assembly protein PilQ' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 15181.3338 _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 NmPilQ_B2 1 $NmPilQ_B2 A . yes native no no . . . 18419 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NmPilQ_B2 _Entity.Sf_category entity _Entity.Sf_framecode NmPilQ_B2 _Entity.Entry_ID 18419 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NmPilQ_B2 _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 ; MGSSHHHHHHGLVPRGSHMA SMTGGQQMGRGSKQTNIDFR KDGKNAGIIELAALGFAGQP DISQQHDHIIVTLKNHTLPT TLQRSLDVADFKTPVQKVTL KRLNNDTQLIITTAGNWELV NKSAAPGYFTFQVLPKKQ ; _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 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment B2 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15181.3338 _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 yes UNP PILQ_NEIMB . Q70M91 . . . . . . . . . . . . . . 18419 1 2 yes PDB 4AQZ . . . . . . . . . . . . . . . . 18419 1 3 no PDB 4AQZ . "B2 Domain Of Neisseria Meningitidis Pilus Assembly Protein Pilq" . . . . . 100.00 138 100.00 100.00 1.97e-95 . . . . 18419 1 4 no PDB 4AV2 . "Single Particle Electron Microscopy Of Pilq Dodecameric Complexes From Neisseria Meningitidis" . . . . . 75.36 745 100.00 100.00 7.96e-64 . . . . 18419 1 5 no EMBL CAD91899 . "secretin precursor [Neisseria meningitidis serogroup B]" . . . . . 74.64 761 100.00 100.00 3.86e-63 . . . . 18419 1 6 no EMBL CAX50762 . "type IV pilus secretin PilQ [Neisseria meningitidis 8013]" . . . . . 74.64 761 100.00 100.00 3.70e-63 . . . . 18419 1 7 no EMBL CBA04080 . "fimbrial assembly protein; pilus secretin [Neisseria meningitidis alpha14]" . . . . . 74.64 761 100.00 100.00 3.70e-63 . . . . 18419 1 8 no EMBL CBA04815 . "fimbrial assembly protein [Neisseria meningitidis alpha153]" . . . . . 74.64 761 100.00 100.00 3.70e-63 . . . . 18419 1 9 no EMBL CBA09077 . "fimbrial assembly protein [Neisseria meningitidis alpha275]" . . . . . 74.64 687 100.00 100.00 3.01e-63 . . . . 18419 1 10 no GB AAC43603 . "PilQ [Neisseria gonorrhoeae]" . . . . . 77.54 720 97.20 98.13 8.04e-64 . . . . 18419 1 11 no GB AAC96097 . "secretin precursor [Neisseria meningitidis H44/76]" . . . . . 75.36 766 99.04 99.04 7.53e-63 . . . . 18419 1 12 no GB AAW88855 . "pilus assembly protein PilQ [Neisseria gonorrhoeae FA 1090]" . . . . . 75.36 723 98.08 98.08 1.46e-62 . . . . 18419 1 13 no GB AAY52170 . "pilQ protein [Neisseria meningitidis MC58]" . . . . . 75.36 769 100.00 100.00 7.96e-64 . . . . 18419 1 14 no GB ACF28835 . "PilQ [Neisseria gonorrhoeae NCCP11945]" . . . . . 77.54 731 97.20 98.13 4.82e-64 . . . . 18419 1 15 no PRF 2210365A . "pilQ gene" . . . . . 77.54 720 97.20 98.13 8.04e-64 . . . . 18419 1 16 no REF NP_274809 . "Tfp pilus assembly protein PilQ [Neisseria meningitidis MC58]" . . . . . 75.36 769 100.00 100.00 7.96e-64 . . . . 18419 1 17 no REF WP_002214524 . "type IV pilus biogenesis and competence protein PilQ [Neisseria meningitidis]" . . . . . 74.64 761 100.00 100.00 3.70e-63 . . . . 18419 1 18 no REF WP_002221480 . "type IV pilus biogenesis and competence protein PilQ [Neisseria meningitidis]" . . . . . 74.64 769 100.00 100.00 3.97e-63 . . . . 18419 1 19 no REF WP_002224059 . "type IV pilus biogenesis and competence protein PilQ [Neisseria meningitidis]" . . . . . 74.64 761 100.00 100.00 3.67e-63 . . . . 18419 1 20 no REF WP_002225652 . "type IV pilus biogenesis and competence protein PilQ [Neisseria meningitidis]" . . . . . 75.36 769 100.00 100.00 7.96e-64 . . . . 18419 1 21 no SP P35819 . "RecName: Full=Type IV pilus biogenesis and competence protein PilQ; AltName: Full=Outer membrane protein Omc; Flags: Precursor" . . . . . 77.54 720 97.20 98.13 8.04e-64 . . . . 18419 1 22 no SP Q5FAD2 . "RecName: Full=Type IV pilus biogenesis and competence protein PilQ; AltName: Full=Outer membrane protein Omc; Flags: Precursor" . . . . . 75.36 723 98.08 98.08 1.46e-62 . . . . 18419 1 23 no SP Q70M91 . "RecName: Full=Type IV pilus biogenesis and competence protein PilQ; Flags: Precursor" . . . . . 75.36 769 100.00 100.00 7.96e-64 . . . . 18419 1 24 no SP Q9ZHF3 . "RecName: Full=Type IV pilus biogenesis and competence protein PilQ; Flags: Precursor" . . . . . 75.36 777 100.00 100.00 8.52e-64 . . . . 18419 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 . MET . 18419 1 2 . GLY . 18419 1 3 . SER . 18419 1 4 . SER . 18419 1 5 . HIS . 18419 1 6 . HIS . 18419 1 7 . HIS . 18419 1 8 . HIS . 18419 1 9 . HIS . 18419 1 10 . HIS . 18419 1 11 . GLY . 18419 1 12 . LEU . 18419 1 13 . VAL . 18419 1 14 . PRO . 18419 1 15 . ARG . 18419 1 16 . GLY . 18419 1 17 . SER . 18419 1 18 . HIS . 18419 1 19 . MET . 18419 1 20 . ALA . 18419 1 21 . SER . 18419 1 22 . MET . 18419 1 23 . THR . 18419 1 24 . GLY . 18419 1 25 . GLY . 18419 1 26 . GLN . 18419 1 27 . GLN . 18419 1 28 . MET . 18419 1 29 . GLY . 18419 1 30 . ARG . 18419 1 31 . GLY . 18419 1 32 . SER . 18419 1 33 . LYS . 18419 1 34 . GLN . 18419 1 35 . THR . 18419 1 36 . ASN . 18419 1 37 . ILE . 18419 1 38 . ASP . 18419 1 39 . PHE . 18419 1 40 . ARG . 18419 1 41 . LYS . 18419 1 42 . ASP . 18419 1 43 . GLY . 18419 1 44 . LYS . 18419 1 45 . ASN . 18419 1 46 . ALA . 18419 1 47 . GLY . 18419 1 48 . ILE . 18419 1 49 . ILE . 18419 1 50 . GLU . 18419 1 51 . LEU . 18419 1 52 . ALA . 18419 1 53 . ALA . 18419 1 54 . LEU . 18419 1 55 . GLY . 18419 1 56 . PHE . 18419 1 57 . ALA . 18419 1 58 . GLY . 18419 1 59 . GLN . 18419 1 60 . PRO . 18419 1 61 . ASP . 18419 1 62 . ILE . 18419 1 63 . SER . 18419 1 64 . GLN . 18419 1 65 . GLN . 18419 1 66 . HIS . 18419 1 67 . ASP . 18419 1 68 . HIS . 18419 1 69 . ILE . 18419 1 70 . ILE . 18419 1 71 . VAL . 18419 1 72 . THR . 18419 1 73 . LEU . 18419 1 74 . LYS . 18419 1 75 . ASN . 18419 1 76 . HIS . 18419 1 77 . THR . 18419 1 78 . LEU . 18419 1 79 . PRO . 18419 1 80 . THR . 18419 1 81 . THR . 18419 1 82 . LEU . 18419 1 83 . GLN . 18419 1 84 . ARG . 18419 1 85 . SER . 18419 1 86 . LEU . 18419 1 87 . ASP . 18419 1 88 . VAL . 18419 1 89 . ALA . 18419 1 90 . ASP . 18419 1 91 . PHE . 18419 1 92 . LYS . 18419 1 93 . THR . 18419 1 94 . PRO . 18419 1 95 . VAL . 18419 1 96 . GLN . 18419 1 97 . LYS . 18419 1 98 . VAL . 18419 1 99 . THR . 18419 1 100 . LEU . 18419 1 101 . LYS . 18419 1 102 . ARG . 18419 1 103 . LEU . 18419 1 104 . ASN . 18419 1 105 . ASN . 18419 1 106 . ASP . 18419 1 107 . THR . 18419 1 108 . GLN . 18419 1 109 . LEU . 18419 1 110 . ILE . 18419 1 111 . ILE . 18419 1 112 . THR . 18419 1 113 . THR . 18419 1 114 . ALA . 18419 1 115 . GLY . 18419 1 116 . ASN . 18419 1 117 . TRP . 18419 1 118 . GLU . 18419 1 119 . LEU . 18419 1 120 . VAL . 18419 1 121 . ASN . 18419 1 122 . LYS . 18419 1 123 . SER . 18419 1 124 . ALA . 18419 1 125 . ALA . 18419 1 126 . PRO . 18419 1 127 . GLY . 18419 1 128 . TYR . 18419 1 129 . PHE . 18419 1 130 . THR . 18419 1 131 . PHE . 18419 1 132 . GLN . 18419 1 133 . VAL . 18419 1 134 . LEU . 18419 1 135 . PRO . 18419 1 136 . LYS . 18419 1 137 . LYS . 18419 1 138 . GLN . 18419 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 . MET 1 1 18419 1 . GLY 2 2 18419 1 . SER 3 3 18419 1 . SER 4 4 18419 1 . HIS 5 5 18419 1 . HIS 6 6 18419 1 . HIS 7 7 18419 1 . HIS 8 8 18419 1 . HIS 9 9 18419 1 . HIS 10 10 18419 1 . GLY 11 11 18419 1 . LEU 12 12 18419 1 . VAL 13 13 18419 1 . PRO 14 14 18419 1 . ARG 15 15 18419 1 . GLY 16 16 18419 1 . SER 17 17 18419 1 . HIS 18 18 18419 1 . MET 19 19 18419 1 . ALA 20 20 18419 1 . SER 21 21 18419 1 . MET 22 22 18419 1 . THR 23 23 18419 1 . GLY 24 24 18419 1 . GLY 25 25 18419 1 . GLN 26 26 18419 1 . GLN 27 27 18419 1 . MET 28 28 18419 1 . GLY 29 29 18419 1 . ARG 30 30 18419 1 . GLY 31 31 18419 1 . SER 32 32 18419 1 . LYS 33 33 18419 1 . GLN 34 34 18419 1 . THR 35 35 18419 1 . ASN 36 36 18419 1 . ILE 37 37 18419 1 . ASP 38 38 18419 1 . PHE 39 39 18419 1 . ARG 40 40 18419 1 . LYS 41 41 18419 1 . ASP 42 42 18419 1 . GLY 43 43 18419 1 . LYS 44 44 18419 1 . ASN 45 45 18419 1 . ALA 46 46 18419 1 . GLY 47 47 18419 1 . ILE 48 48 18419 1 . ILE 49 49 18419 1 . GLU 50 50 18419 1 . LEU 51 51 18419 1 . ALA 52 52 18419 1 . ALA 53 53 18419 1 . LEU 54 54 18419 1 . GLY 55 55 18419 1 . PHE 56 56 18419 1 . ALA 57 57 18419 1 . GLY 58 58 18419 1 . GLN 59 59 18419 1 . PRO 60 60 18419 1 . ASP 61 61 18419 1 . ILE 62 62 18419 1 . SER 63 63 18419 1 . GLN 64 64 18419 1 . GLN 65 65 18419 1 . HIS 66 66 18419 1 . ASP 67 67 18419 1 . HIS 68 68 18419 1 . ILE 69 69 18419 1 . ILE 70 70 18419 1 . VAL 71 71 18419 1 . THR 72 72 18419 1 . LEU 73 73 18419 1 . LYS 74 74 18419 1 . ASN 75 75 18419 1 . HIS 76 76 18419 1 . THR 77 77 18419 1 . LEU 78 78 18419 1 . PRO 79 79 18419 1 . THR 80 80 18419 1 . THR 81 81 18419 1 . LEU 82 82 18419 1 . GLN 83 83 18419 1 . ARG 84 84 18419 1 . SER 85 85 18419 1 . LEU 86 86 18419 1 . ASP 87 87 18419 1 . VAL 88 88 18419 1 . ALA 89 89 18419 1 . ASP 90 90 18419 1 . PHE 91 91 18419 1 . LYS 92 92 18419 1 . THR 93 93 18419 1 . PRO 94 94 18419 1 . VAL 95 95 18419 1 . GLN 96 96 18419 1 . LYS 97 97 18419 1 . VAL 98 98 18419 1 . THR 99 99 18419 1 . LEU 100 100 18419 1 . LYS 101 101 18419 1 . ARG 102 102 18419 1 . LEU 103 103 18419 1 . ASN 104 104 18419 1 . ASN 105 105 18419 1 . ASP 106 106 18419 1 . THR 107 107 18419 1 . GLN 108 108 18419 1 . LEU 109 109 18419 1 . ILE 110 110 18419 1 . ILE 111 111 18419 1 . THR 112 112 18419 1 . THR 113 113 18419 1 . ALA 114 114 18419 1 . GLY 115 115 18419 1 . ASN 116 116 18419 1 . TRP 117 117 18419 1 . GLU 118 118 18419 1 . LEU 119 119 18419 1 . VAL 120 120 18419 1 . ASN 121 121 18419 1 . LYS 122 122 18419 1 . SER 123 123 18419 1 . ALA 124 124 18419 1 . ALA 125 125 18419 1 . PRO 126 126 18419 1 . GLY 127 127 18419 1 . TYR 128 128 18419 1 . PHE 129 129 18419 1 . THR 130 130 18419 1 . PHE 131 131 18419 1 . GLN 132 132 18419 1 . VAL 133 133 18419 1 . LEU 134 134 18419 1 . PRO 135 135 18419 1 . LYS 136 136 18419 1 . LYS 137 137 18419 1 . GLN 138 138 18419 1 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 18419 _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 $NmPilQ_B2 . 487 organism . 'Neisseria meningitidis' 'Neisseria meningitidis' . . Bacteria . Neisseria meningitidis . . . . . . . . . . . . . . . . . . . . . 18419 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 18419 _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 $NmPilQ_B2 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE21) . . . . . . . . . . . . pET28a . . pET28a . . . 'non-biological sequence residues 192-225. MGSSHHHHHHGLVPRGSHMASMTGGQQMGRGSK' . . 18419 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18419 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'B2 500uM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% water/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 NmPilQ_B2 '[U-13C; U-15N]' . . 1 $NmPilQ_B2 . . 0.5 . . mM . . . . 18419 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18419 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18419 1 4 'sodium azide' 'natural abundance' . . . . . . 0.2 . . % . . . . 18419 1 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 18419 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.8], temp [298], pressure [1], ionStrength [100.0]' 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' 100.000 . mM 18419 1 pH 6.800 . pH 18419 1 pressure 1.000 . atm 18419 1 temperature 298.000 . K 18419 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 18419 _Software.ID 1 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID AutoDep . . 18419 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18419 1 stop_ save_ save_CCPN_analysis _Software.Sf_category software _Software.Sf_framecode CCPN_analysis _Software.Entry_ID 18419 _Software.ID 2 _Software.Name CCPN_analysis _Software.Version 2.1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 18419 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18419 2 'data analysis' 18419 2 stop_ save_ save_CNS1.2 _Software.Sf_category software _Software.Sf_framecode CNS1.2 _Software.Entry_ID 18419 _Software.ID 3 _Software.Name CNS1.2 _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18419 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure water refinement' 18419 3 stop_ save_ save_CYANA2.1 _Software.Sf_category software _Software.Sf_framecode CYANA2.1 _Software.Entry_ID 18419 _Software.ID 4 _Software.Name CYANA2.1 _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18419 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment and structure refinement' 18419 4 stop_ save_ save_TALOSPLUS _Software.Sf_category software _Software.Sf_framecode TALOSPLUS _Software.Entry_ID 18419 _Software.ID 5 _Software.Name TALOSPLUS _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18419 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'dihedral angle calculation' 18419 5 stop_ save_ save_Topspin2.1 _Software.Sf_category software _Software.Sf_framecode Topspin2.1 _Software.Entry_ID 18419 _Software.ID 6 _Software.Name Topspin2.1 _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18419 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra acquisition and processing' 18419 6 stop_ save_ save_CYANA2.1_and_CNS1.2_water_refinement _Method.Sf_category method _Method.Sf_framecode CYANA2.1_and_CNS1.2_water_refinement _Method.Entry_ID 18419 _Method.ID 1 _Method.Derivation_type . _Method.Details 'CYANA2.1 and CNS1.2 water refinement' _Method.Computer_ID . _Method.Computer_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-800 _NMR_spectrometer.Entry_ID 18419 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_Bruker_Avance-600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-600 _NMR_spectrometer.Entry_ID 18419 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_BRUKER_AVANCE-600_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode BRUKER_AVANCE-600_2 _NMR_spectrometer.Entry_ID 18419 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 18419 _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 Bruker_Avance-800 Bruker Avance . 800 . . . 18419 1 2 Bruker_Avance-600 Bruker Avance . 600 . . . 18419 1 3 BRUKER_AVANCE-600_2 Bruker AVANCE . 600 . . . 18419 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 18419 _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 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 18419 1 2 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 18419 1 3 '3D HN(CA)CO 3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 18419 1 4 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 18419 1 5 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 18419 1 6 '3D HBHANH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 18419 1 7 '2D hbCBcgcdHD' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 18419 1 8 '2D ali 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 18419 1 9 '2D aro 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 18419 1 10 '3D ali HC-NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 18419 1 11 '3D aro HC-NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 18419 1 12 '3D HN-NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-800 . . . . . . . . . . . . . . . . 18419 1 13 '3D ali HCcH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18419 1 14 '3D aro HCcH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $Bruker_Avance-600 . . . . . . . . . . . . . . . . 18419 1 15 nmrExpt no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 3 $BRUKER_AVANCE-600_2 . . . . . . . . . . . . . . . . 18419 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 18419 _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 . _NMR_spec_expt.NMR_spectrometer_label . _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 1 _NMR_spec_expt.Method_label $CYANA2.1_and_CNS1.2_water_refinement _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 18419 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 1 . . . . . . . . . 18419 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18419 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18419 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18419 _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4aqz/ebi/190412_2.str.csh' _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 '3D CBCA(CO)NH' 1 $sample_1 solution 18419 1 2 '3D HNCACB' 1 $sample_1 solution 18419 1 3 '3D HN(CA)CO 3D HNCO' 1 $sample_1 solution 18419 1 4 '2D 1H-15N HSQC' 1 $sample_1 solution 18419 1 5 '3D HBHA(CO)NH' 1 $sample_1 solution 18419 1 6 '3D HBHANH' 1 $sample_1 solution 18419 1 7 '2D hbCBcgcdHD' 1 $sample_1 solution 18419 1 8 '2D ali 1H-13C HSQC' 1 $sample_1 solution 18419 1 9 '2D aro 1H-13C HSQC' 1 $sample_1 solution 18419 1 10 '3D ali HC-NOESY' 1 $sample_1 solution 18419 1 11 '3D aro HC-NOESY' 1 $sample_1 solution 18419 1 12 '3D HN-NOESY' 1 $sample_1 solution 18419 1 13 '3D ali HCcH-TOCSY' 1 $sample_1 solution 18419 1 14 '3D aro HCcH-TOCSY' 1 $sample_1 solution 18419 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 14 14 PRO HA H 1 4.303 0.002 . 1 . 6 . . 14 PRO HA . 18419 1 2 . 1 1 14 14 PRO HB2 H 1 1.786 0.003 . 2 . 7 . . 14 PRO HB2 . 18419 1 3 . 1 1 14 14 PRO HB3 H 1 2.181 0.003 . 2 . 8 . . 14 PRO HB3 . 18419 1 4 . 1 1 14 14 PRO HG2 H 1 1.927 0.006 . 2 . 11 . . 14 PRO HG2 . 18419 1 5 . 1 1 14 14 PRO HG3 H 1 1.868 0.008 . 2 . 12 . . 14 PRO HG3 . 18419 1 6 . 1 1 14 14 PRO HD2 H 1 3.761 0.001 . 2 . 9 . . 14 PRO HD2 . 18419 1 7 . 1 1 14 14 PRO HD3 H 1 3.552 0.001 . 2 . 10 . . 14 PRO HD3 . 18419 1 8 . 1 1 14 14 PRO C C 13 176.826 0.001 . 1 . 1 . . 14 PRO C . 18419 1 9 . 1 1 14 14 PRO CA C 13 63.056 0.006 . 1 . 2 . . 14 PRO CA . 18419 1 10 . 1 1 14 14 PRO CB C 13 31.986 0.001 . 1 . 3 . . 14 PRO CB . 18419 1 11 . 1 1 14 14 PRO CG C 13 27.346 0.018 . 1 . 5 . . 14 PRO CG . 18419 1 12 . 1 1 14 14 PRO CD C 13 51.024 0.001 . 1 . 4 . . 14 PRO CD . 18419 1 13 . 1 1 15 15 ARG H H 1 8.414 0.002 . 1 . 16 . . 15 ARG H . 18419 1 14 . 1 1 15 15 ARG HA H 1 4.217 0.003 . 1 . 17 . . 15 ARG HA . 18419 1 15 . 1 1 15 15 ARG HB2 H 1 1.751 0.008 . 2 . 18 . . 15 ARG HB2 . 18419 1 16 . 1 1 15 15 ARG HB3 H 1 1.736 0.001 . 2 . 19 . . 15 ARG HB3 . 18419 1 17 . 1 1 15 15 ARG C C 13 176.923 0.001 . 1 . 13 . . 15 ARG C . 18419 1 18 . 1 1 15 15 ARG CA C 13 56.324 0.003 . 1 . 14 . . 15 ARG CA . 18419 1 19 . 1 1 15 15 ARG CB C 13 30.711 0.021 . 1 . 15 . . 15 ARG CB . 18419 1 20 . 1 1 15 15 ARG N N 15 121.947 0.006 . 1 . 20 . . 15 ARG N . 18419 1 21 . 1 1 18 18 HIS HA H 1 4.522 0.001 . 1 . 24 . . 18 HIS HA . 18419 1 22 . 1 1 18 18 HIS HB2 H 1 3.030 0.001 . 1 . 25 . . 18 HIS HB2 . 18419 1 23 . 1 1 18 18 HIS C C 13 175.424 0.001 . 1 . 21 . . 18 HIS C . 18419 1 24 . 1 1 18 18 HIS CA C 13 56.585 0.001 . 1 . 22 . . 18 HIS CA . 18419 1 25 . 1 1 18 18 HIS CB C 13 30.383 0.001 . 1 . 23 . . 18 HIS CB . 18419 1 26 . 1 1 19 19 MET H H 1 8.121 0.002 . 1 . 30 . . 19 MET H . 18419 1 27 . 1 1 19 19 MET HA H 1 4.314 0.004 . 1 . 31 . . 19 MET HA . 18419 1 28 . 1 1 19 19 MET HB2 H 1 1.841 0.003 . 2 . 32 . . 19 MET HB2 . 18419 1 29 . 1 1 19 19 MET HB3 H 1 1.959 0.002 . 2 . 33 . . 19 MET HB3 . 18419 1 30 . 1 1 19 19 MET HG2 H 1 2.398 0.002 . 2 . 34 . . 19 MET HG2 . 18419 1 31 . 1 1 19 19 MET HG3 H 1 2.318 0.002 . 2 . 35 . . 19 MET HG3 . 18419 1 32 . 1 1 19 19 MET C C 13 176.002 0.001 . 1 . 26 . . 19 MET C . 18419 1 33 . 1 1 19 19 MET CA C 13 55.603 0.034 . 1 . 27 . . 19 MET CA . 18419 1 34 . 1 1 19 19 MET CB C 13 32.612 0.039 . 1 . 28 . . 19 MET CB . 18419 1 35 . 1 1 19 19 MET CG C 13 31.809 0.001 . 1 . 29 . . 19 MET CG . 18419 1 36 . 1 1 19 19 MET N N 15 121.306 0.008 . 1 . 36 . . 19 MET N . 18419 1 37 . 1 1 20 20 ALA H H 1 8.222 0.002 . 1 . 40 . . 20 ALA H . 18419 1 38 . 1 1 20 20 ALA HA H 1 4.208 0.001 . 1 . 41 . . 20 ALA HA . 18419 1 39 . 1 1 20 20 ALA HB1 H 1 1.311 0.001 . 1 . 42 . . 20 ALA HB1 . 18419 1 40 . 1 1 20 20 ALA HB2 H 1 1.311 0.001 . 1 . 42 . . 20 ALA HB2 . 18419 1 41 . 1 1 20 20 ALA HB3 H 1 1.311 0.001 . 1 . 42 . . 20 ALA HB3 . 18419 1 42 . 1 1 20 20 ALA C C 13 177.716 0.001 . 1 . 37 . . 20 ALA C . 18419 1 43 . 1 1 20 20 ALA CA C 13 52.790 0.006 . 1 . 38 . . 20 ALA CA . 18419 1 44 . 1 1 20 20 ALA CB C 13 19.061 0.007 . 1 . 39 . . 20 ALA CB . 18419 1 45 . 1 1 20 20 ALA N N 15 124.837 0.008 . 1 . 43 . . 20 ALA N . 18419 1 46 . 1 1 21 21 SER H H 1 8.132 0.003 . 1 . 47 . . 21 SER H . 18419 1 47 . 1 1 21 21 SER HA H 1 4.343 0.001 . 1 . 48 . . 21 SER HA . 18419 1 48 . 1 1 21 21 SER HB2 H 1 3.788 0.001 . 2 . 49 . . 21 SER HB2 . 18419 1 49 . 1 1 21 21 SER HB3 H 1 3.753 0.001 . 2 . 50 . . 21 SER HB3 . 18419 1 50 . 1 1 21 21 SER C C 13 174.799 0.001 . 1 . 44 . . 21 SER C . 18419 1 51 . 1 1 21 21 SER CA C 13 58.422 0.006 . 1 . 45 . . 21 SER CA . 18419 1 52 . 1 1 21 21 SER CB C 13 63.734 0.006 . 1 . 46 . . 21 SER CB . 18419 1 53 . 1 1 21 21 SER N N 15 114.255 0.006 . 1 . 51 . . 21 SER N . 18419 1 54 . 1 1 22 22 MET H H 1 8.302 0.002 . 1 . 56 . . 22 MET H . 18419 1 55 . 1 1 22 22 MET HA H 1 4.503 0.006 . 1 . 57 . . 22 MET HA . 18419 1 56 . 1 1 22 22 MET HB2 H 1 1.952 0.006 . 2 . 58 . . 22 MET HB2 . 18419 1 57 . 1 1 22 22 MET HB3 H 1 2.053 0.003 . 2 . 59 . . 22 MET HB3 . 18419 1 58 . 1 1 22 22 MET HG2 H 1 2.523 0.008 . 2 . 60 . . 22 MET HG2 . 18419 1 59 . 1 1 22 22 MET HG3 H 1 2.449 0.008 . 2 . 61 . . 22 MET HG3 . 18419 1 60 . 1 1 22 22 MET C C 13 176.515 0.001 . 1 . 52 . . 22 MET C . 18419 1 61 . 1 1 22 22 MET CA C 13 55.677 0.028 . 1 . 53 . . 22 MET CA . 18419 1 62 . 1 1 22 22 MET CB C 13 32.772 0.046 . 1 . 54 . . 22 MET CB . 18419 1 63 . 1 1 22 22 MET CG C 13 31.992 0.028 . 1 . 55 . . 22 MET CG . 18419 1 64 . 1 1 22 22 MET N N 15 122.096 0.057 . 1 . 62 . . 22 MET N . 18419 1 65 . 1 1 23 23 THR H H 1 8.061 0.002 . 1 . 67 . . 23 THR H . 18419 1 66 . 1 1 23 23 THR HA H 1 4.294 0.002 . 1 . 68 . . 23 THR HA . 18419 1 67 . 1 1 23 23 THR HB H 1 4.184 0.002 . 1 . 69 . . 23 THR HB . 18419 1 68 . 1 1 23 23 THR HG21 H 1 1.112 0.001 . 1 . 70 . . 23 THR HG21 . 18419 1 69 . 1 1 23 23 THR HG22 H 1 1.112 0.001 . 1 . 70 . . 23 THR HG22 . 18419 1 70 . 1 1 23 23 THR HG23 H 1 1.112 0.001 . 1 . 70 . . 23 THR HG23 . 18419 1 71 . 1 1 23 23 THR C C 13 175.170 0.001 . 1 . 63 . . 23 THR C . 18419 1 72 . 1 1 23 23 THR CA C 13 61.888 0.009 . 1 . 64 . . 23 THR CA . 18419 1 73 . 1 1 23 23 THR CB C 13 69.814 0.035 . 1 . 65 . . 23 THR CB . 18419 1 74 . 1 1 23 23 THR CG2 C 13 21.506 0.016 . 1 . 66 . . 23 THR CG2 . 18419 1 75 . 1 1 23 23 THR N N 15 113.961 0.005 . 1 . 71 . . 23 THR N . 18419 1 76 . 1 1 24 24 GLY H H 1 8.347 0.002 . 1 . 74 . . 24 GLY H . 18419 1 77 . 1 1 24 24 GLY HA2 H 1 3.913 0.001 . 2 . 75 . . 24 GLY HA2 . 18419 1 78 . 1 1 24 24 GLY HA3 H 1 3.873 0.001 . 2 . 76 . . 24 GLY HA3 . 18419 1 79 . 1 1 24 24 GLY C C 13 174.755 0.001 . 1 . 72 . . 24 GLY C . 18419 1 80 . 1 1 24 24 GLY CA C 13 45.483 0.002 . 1 . 73 . . 24 GLY CA . 18419 1 81 . 1 1 24 24 GLY N N 15 111.118 0.005 . 1 . 77 . . 24 GLY N . 18419 1 82 . 1 1 25 25 GLY H H 1 8.243 0.002 . 1 . 80 . . 25 GLY H . 18419 1 83 . 1 1 25 25 GLY HA2 H 1 3.881 0.004 . 1 . 81 . . 25 GLY HA2 . 18419 1 84 . 1 1 25 25 GLY HA3 H 1 3.881 0.001 . 1 . 82 . . 25 GLY HA3 . 18419 1 85 . 1 1 25 25 GLY C C 13 177.674 0.001 . 1 . 78 . . 25 GLY C . 18419 1 86 . 1 1 25 25 GLY CA C 13 45.294 0.021 . 1 . 79 . . 25 GLY CA . 18419 1 87 . 1 1 25 25 GLY N N 15 108.554 0.005 . 1 . 83 . . 25 GLY N . 18419 1 88 . 1 1 26 26 GLN H H 1 8.229 0.002 . 1 . 88 . . 26 GLN H . 18419 1 89 . 1 1 26 26 GLN HA H 1 4.227 0.003 . 1 . 89 . . 26 GLN HA . 18419 1 90 . 1 1 26 26 GLN HB2 H 1 1.898 0.004 . 2 . 90 . . 26 GLN HB2 . 18419 1 91 . 1 1 26 26 GLN HB3 H 1 2.017 0.002 . 2 . 91 . . 26 GLN HB3 . 18419 1 92 . 1 1 26 26 GLN HG2 H 1 2.271 0.002 . 2 . 94 . . 26 GLN HG2 . 18419 1 93 . 1 1 26 26 GLN HG3 H 1 2.275 0.001 . 2 . 95 . . 26 GLN HG3 . 18419 1 94 . 1 1 26 26 GLN HE21 H 1 7.432 0.001 . 1 . 92 . . 26 GLN HE21 . 18419 1 95 . 1 1 26 26 GLN HE22 H 1 6.768 0.001 . 1 . 93 . . 26 GLN HE22 . 18419 1 96 . 1 1 26 26 GLN C C 13 176.102 0.001 . 1 . 84 . . 26 GLN C . 18419 1 97 . 1 1 26 26 GLN CA C 13 55.984 0.008 . 1 . 85 . . 26 GLN CA . 18419 1 98 . 1 1 26 26 GLN CB C 13 29.259 0.036 . 1 . 86 . . 26 GLN CB . 18419 1 99 . 1 1 26 26 GLN CG C 13 33.771 0.028 . 1 . 87 . . 26 GLN CG . 18419 1 100 . 1 1 26 26 GLN N N 15 119.653 0.006 . 1 . 96 . . 26 GLN N . 18419 1 101 . 1 1 26 26 GLN NE2 N 15 112.359 0.003 . 1 . 97 . . 26 GLN NE2 . 18419 1 102 . 1 1 27 27 GLN H H 1 8.423 0.002 . 1 . 101 . . 27 GLN H . 18419 1 103 . 1 1 27 27 GLN HA H 1 4.224 0.001 . 1 . 102 . . 27 GLN HA . 18419 1 104 . 1 1 27 27 GLN HB2 H 1 2.019 0.001 . 2 . 103 . . 27 GLN HB2 . 18419 1 105 . 1 1 27 27 GLN HB3 H 1 1.895 0.005 . 2 . 104 . . 27 GLN HB3 . 18419 1 106 . 1 1 27 27 GLN C C 13 176.057 0.001 . 1 . 98 . . 27 GLN C . 18419 1 107 . 1 1 27 27 GLN CA C 13 55.942 0.001 . 1 . 99 . . 27 GLN CA . 18419 1 108 . 1 1 27 27 GLN CB C 13 29.109 0.017 . 1 . 100 . . 27 GLN CB . 18419 1 109 . 1 1 27 27 GLN N N 15 121.146 0.006 . 1 . 105 . . 27 GLN N . 18419 1 110 . 1 1 28 28 MET H H 1 8.341 0.002 . 1 . 110 . . 28 MET H . 18419 1 111 . 1 1 28 28 MET HA H 1 4.385 0.004 . 1 . 111 . . 28 MET HA . 18419 1 112 . 1 1 28 28 MET HB2 H 1 2.008 0.001 . 2 . 112 . . 28 MET HB2 . 18419 1 113 . 1 1 28 28 MET HB3 H 1 1.925 0.001 . 2 . 113 . . 28 MET HB3 . 18419 1 114 . 1 1 28 28 MET HG2 H 1 2.518 0.001 . 2 . 114 . . 28 MET HG2 . 18419 1 115 . 1 1 28 28 MET HG3 H 1 2.448 0.008 . 2 . 115 . . 28 MET HG3 . 18419 1 116 . 1 1 28 28 MET C C 13 176.714 0.001 . 1 . 106 . . 28 MET C . 18419 1 117 . 1 1 28 28 MET CA C 13 55.620 0.048 . 1 . 107 . . 28 MET CA . 18419 1 118 . 1 1 28 28 MET CB C 13 32.600 0.071 . 1 . 108 . . 28 MET CB . 18419 1 119 . 1 1 28 28 MET CG C 13 31.990 0.001 . 1 . 109 . . 28 MET CG . 18419 1 120 . 1 1 28 28 MET N N 15 121.296 0.009 . 1 . 116 . . 28 MET N . 18419 1 121 . 1 1 29 29 GLY H H 1 8.385 0.002 . 1 . 119 . . 29 GLY H . 18419 1 122 . 1 1 29 29 GLY HA2 H 1 3.883 0.001 . 2 . 120 . . 29 GLY HA2 . 18419 1 123 . 1 1 29 29 GLY HA3 H 1 3.881 0.001 . 2 . 121 . . 29 GLY HA3 . 18419 1 124 . 1 1 29 29 GLY C C 13 174.267 0.001 . 1 . 117 . . 29 GLY C . 18419 1 125 . 1 1 29 29 GLY CA C 13 45.320 0.004 . 1 . 118 . . 29 GLY CA . 18419 1 126 . 1 1 29 29 GLY N N 15 109.928 0.008 . 1 . 122 . . 29 GLY N . 18419 1 127 . 1 1 30 30 ARG H H 1 8.228 0.003 . 1 . 126 . . 30 ARG H . 18419 1 128 . 1 1 30 30 ARG HA H 1 4.248 0.001 . 1 . 127 . . 30 ARG HA . 18419 1 129 . 1 1 30 30 ARG HB2 H 1 1.682 0.001 . 2 . 128 . . 30 ARG HB2 . 18419 1 130 . 1 1 30 30 ARG HB3 H 1 1.791 0.001 . 2 . 129 . . 30 ARG HB3 . 18419 1 131 . 1 1 30 30 ARG C C 13 176.991 0.001 . 1 . 123 . . 30 ARG C . 18419 1 132 . 1 1 30 30 ARG CA C 13 56.177 0.001 . 1 . 124 . . 30 ARG CA . 18419 1 133 . 1 1 30 30 ARG CB C 13 30.474 0.019 . 1 . 125 . . 30 ARG CB . 18419 1 134 . 1 1 30 30 ARG N N 15 120.695 0.012 . 1 . 130 . . 30 ARG N . 18419 1 135 . 1 1 31 31 GLY H H 1 8.467 0.002 . 1 . 133 . . 31 GLY H . 18419 1 136 . 1 1 31 31 GLY HA2 H 1 3.889 0.001 . 2 . 134 . . 31 GLY HA2 . 18419 1 137 . 1 1 31 31 GLY HA3 H 1 3.886 0.001 . 2 . 135 . . 31 GLY HA3 . 18419 1 138 . 1 1 31 31 GLY C C 13 174.178 0.001 . 1 . 131 . . 31 GLY C . 18419 1 139 . 1 1 31 31 GLY CA C 13 45.249 0.003 . 1 . 132 . . 31 GLY CA . 18419 1 140 . 1 1 31 31 GLY N N 15 109.970 0.044 . 1 . 136 . . 31 GLY N . 18419 1 141 . 1 1 32 32 SER H H 1 8.098 0.002 . 1 . 140 . . 32 SER H . 18419 1 142 . 1 1 32 32 SER HA H 1 4.325 0.001 . 1 . 141 . . 32 SER HA . 18419 1 143 . 1 1 32 32 SER HB2 H 1 3.750 0.001 . 2 . 142 . . 32 SER HB2 . 18419 1 144 . 1 1 32 32 SER HB3 H 1 3.751 0.001 . 2 . 143 . . 32 SER HB3 . 18419 1 145 . 1 1 32 32 SER C C 13 174.576 0.001 . 1 . 137 . . 32 SER C . 18419 1 146 . 1 1 32 32 SER CA C 13 58.482 0.005 . 1 . 138 . . 32 SER CA . 18419 1 147 . 1 1 32 32 SER CB C 13 63.953 0.051 . 1 . 139 . . 32 SER CB . 18419 1 148 . 1 1 32 32 SER N N 15 115.563 0.004 . 1 . 144 . . 32 SER N . 18419 1 149 . 1 1 33 33 LYS H H 1 8.326 0.004 . 1 . 149 . . 33 LYS H . 18419 1 150 . 1 1 33 33 LYS HA H 1 4.327 0.002 . 1 . 150 . . 33 LYS HA . 18419 1 151 . 1 1 33 33 LYS HB2 H 1 1.616 0.001 . 2 . 151 . . 33 LYS HB2 . 18419 1 152 . 1 1 33 33 LYS HB3 H 1 1.741 0.003 . 2 . 152 . . 33 LYS HB3 . 18419 1 153 . 1 1 33 33 LYS HG2 H 1 1.306 0.001 . 2 . 153 . . 33 LYS HG2 . 18419 1 154 . 1 1 33 33 LYS HG3 H 1 1.316 0.001 . 2 . 154 . . 33 LYS HG3 . 18419 1 155 . 1 1 33 33 LYS C C 13 176.457 0.001 . 1 . 145 . . 33 LYS C . 18419 1 156 . 1 1 33 33 LYS CA C 13 55.843 0.011 . 1 . 146 . . 33 LYS CA . 18419 1 157 . 1 1 33 33 LYS CB C 13 32.770 0.043 . 1 . 147 . . 33 LYS CB . 18419 1 158 . 1 1 33 33 LYS CG C 13 24.973 0.001 . 1 . 148 . . 33 LYS CG . 18419 1 159 . 1 1 33 33 LYS N N 15 122.420 0.038 . 1 . 155 . . 33 LYS N . 18419 1 160 . 1 1 34 34 GLN H H 1 8.221 0.002 . 1 . 160 . . 34 GLN H . 18419 1 161 . 1 1 34 34 GLN HA H 1 4.121 0.003 . 1 . 161 . . 34 GLN HA . 18419 1 162 . 1 1 34 34 GLN HB2 H 1 1.908 0.004 . 2 . 162 . . 34 GLN HB2 . 18419 1 163 . 1 1 34 34 GLN HB3 H 1 2.022 0.004 . 2 . 163 . . 34 GLN HB3 . 18419 1 164 . 1 1 34 34 GLN HG2 H 1 2.291 0.001 . 2 . 164 . . 34 GLN HG2 . 18419 1 165 . 1 1 34 34 GLN HG3 H 1 2.288 0.001 . 2 . 165 . . 34 GLN HG3 . 18419 1 166 . 1 1 34 34 GLN C C 13 175.163 0.001 . 1 . 156 . . 34 GLN C . 18419 1 167 . 1 1 34 34 GLN CA C 13 56.934 0.031 . 1 . 157 . . 34 GLN CA . 18419 1 168 . 1 1 34 34 GLN CB C 13 29.859 0.067 . 1 . 158 . . 34 GLN CB . 18419 1 169 . 1 1 34 34 GLN CG C 13 33.758 0.032 . 1 . 159 . . 34 GLN CG . 18419 1 170 . 1 1 34 34 GLN N N 15 120.705 0.012 . 1 . 166 . . 34 GLN N . 18419 1 171 . 1 1 35 35 THR H H 1 7.062 0.002 . 1 . 171 . . 35 THR H . 18419 1 172 . 1 1 35 35 THR HA H 1 5.291 0.002 . 1 . 172 . . 35 THR HA . 18419 1 173 . 1 1 35 35 THR HB H 1 3.739 0.002 . 1 . 173 . . 35 THR HB . 18419 1 174 . 1 1 35 35 THR HG21 H 1 1.071 0.001 . 1 . 174 . . 35 THR HG21 . 18419 1 175 . 1 1 35 35 THR HG22 H 1 1.071 0.001 . 1 . 174 . . 35 THR HG22 . 18419 1 176 . 1 1 35 35 THR HG23 H 1 1.071 0.001 . 1 . 174 . . 35 THR HG23 . 18419 1 177 . 1 1 35 35 THR C C 13 173.251 0.001 . 1 . 167 . . 35 THR C . 18419 1 178 . 1 1 35 35 THR CA C 13 61.811 0.077 . 1 . 168 . . 35 THR CA . 18419 1 179 . 1 1 35 35 THR CB C 13 70.260 0.028 . 1 . 169 . . 35 THR CB . 18419 1 180 . 1 1 35 35 THR CG2 C 13 22.161 0.001 . 1 . 170 . . 35 THR CG2 . 18419 1 181 . 1 1 35 35 THR N N 15 117.076 0.015 . 1 . 175 . . 35 THR N . 18419 1 182 . 1 1 36 36 ASN H H 1 9.037 0.001 . 1 . 179 . . 36 ASN H . 18419 1 183 . 1 1 36 36 ASN HA H 1 4.953 0.001 . 1 . 180 . . 36 ASN HA . 18419 1 184 . 1 1 36 36 ASN HB2 H 1 2.572 0.001 . 2 . 181 . . 36 ASN HB2 . 18419 1 185 . 1 1 36 36 ASN HB3 H 1 2.718 0.001 . 2 . 182 . . 36 ASN HB3 . 18419 1 186 . 1 1 36 36 ASN HD21 H 1 6.851 0.001 . 1 . 183 . . 36 ASN HD21 . 18419 1 187 . 1 1 36 36 ASN HD22 H 1 7.571 0.001 . 1 . 184 . . 36 ASN HD22 . 18419 1 188 . 1 1 36 36 ASN C C 13 173.092 0.001 . 1 . 176 . . 36 ASN C . 18419 1 189 . 1 1 36 36 ASN CA C 13 52.291 0.052 . 1 . 177 . . 36 ASN CA . 18419 1 190 . 1 1 36 36 ASN CB C 13 43.080 0.034 . 1 . 178 . . 36 ASN CB . 18419 1 191 . 1 1 36 36 ASN N N 15 123.306 0.024 . 1 . 185 . . 36 ASN N . 18419 1 192 . 1 1 36 36 ASN ND2 N 15 114.622 0.001 . 1 . 186 . . 36 ASN ND2 . 18419 1 193 . 1 1 37 37 ILE H H 1 8.423 0.002 . 1 . 193 . . 37 ILE H . 18419 1 194 . 1 1 37 37 ILE HA H 1 5.606 0.002 . 1 . 194 . . 37 ILE HA . 18419 1 195 . 1 1 37 37 ILE HB H 1 1.532 0.002 . 1 . 195 . . 37 ILE HB . 18419 1 196 . 1 1 37 37 ILE HG12 H 1 1.465 0.001 . 2 . 197 . . 37 ILE HG12 . 18419 1 197 . 1 1 37 37 ILE HG13 H 1 0.905 0.001 . 2 . 198 . . 37 ILE HG13 . 18419 1 198 . 1 1 37 37 ILE HG21 H 1 0.856 0.003 . 1 . 199 . . 37 ILE HG21 . 18419 1 199 . 1 1 37 37 ILE HG22 H 1 0.856 0.003 . 1 . 199 . . 37 ILE HG22 . 18419 1 200 . 1 1 37 37 ILE HG23 H 1 0.856 0.003 . 1 . 199 . . 37 ILE HG23 . 18419 1 201 . 1 1 37 37 ILE HD11 H 1 0.594 0.001 . 1 . 196 . . 37 ILE HD11 . 18419 1 202 . 1 1 37 37 ILE HD12 H 1 0.594 0.001 . 1 . 196 . . 37 ILE HD12 . 18419 1 203 . 1 1 37 37 ILE HD13 H 1 0.594 0.001 . 1 . 196 . . 37 ILE HD13 . 18419 1 204 . 1 1 37 37 ILE C C 13 173.710 0.001 . 1 . 187 . . 37 ILE C . 18419 1 205 . 1 1 37 37 ILE CA C 13 58.474 0.022 . 1 . 188 . . 37 ILE CA . 18419 1 206 . 1 1 37 37 ILE CB C 13 43.496 0.073 . 1 . 189 . . 37 ILE CB . 18419 1 207 . 1 1 37 37 ILE CG1 C 13 25.577 0.005 . 1 . 191 . . 37 ILE CG1 . 18419 1 208 . 1 1 37 37 ILE CG2 C 13 19.878 0.009 . 1 . 192 . . 37 ILE CG2 . 18419 1 209 . 1 1 37 37 ILE CD1 C 13 15.082 0.009 . 1 . 190 . . 37 ILE CD1 . 18419 1 210 . 1 1 37 37 ILE N N 15 114.406 0.009 . 1 . 200 . . 37 ILE N . 18419 1 211 . 1 1 38 38 ASP H H 1 8.372 0.002 . 1 . 204 . . 38 ASP H . 18419 1 212 . 1 1 38 38 ASP HA H 1 4.813 0.002 . 1 . 205 . . 38 ASP HA . 18419 1 213 . 1 1 38 38 ASP HB2 H 1 2.484 0.001 . 2 . 206 . . 38 ASP HB2 . 18419 1 214 . 1 1 38 38 ASP HB3 H 1 2.486 0.001 . 2 . 207 . . 38 ASP HB3 . 18419 1 215 . 1 1 38 38 ASP C C 13 173.623 0.001 . 1 . 201 . . 38 ASP C . 18419 1 216 . 1 1 38 38 ASP CA C 13 53.160 0.008 . 1 . 202 . . 38 ASP CA . 18419 1 217 . 1 1 38 38 ASP CB C 13 45.708 0.016 . 1 . 203 . . 38 ASP CB . 18419 1 218 . 1 1 38 38 ASP N N 15 119.591 0.006 . 1 . 208 . . 38 ASP N . 18419 1 219 . 1 1 39 39 PHE H H 1 8.548 0.002 . 1 . 216 . . 39 PHE H . 18419 1 220 . 1 1 39 39 PHE HA H 1 5.574 0.002 . 1 . 217 . . 39 PHE HA . 18419 1 221 . 1 1 39 39 PHE HB2 H 1 2.617 0.002 . 2 . 218 . . 39 PHE HB2 . 18419 1 222 . 1 1 39 39 PHE HB3 H 1 2.492 0.001 . 2 . 219 . . 39 PHE HB3 . 18419 1 223 . 1 1 39 39 PHE HD1 H 1 6.487 0.002 . 3 . 220 . . 39 PHE HD1 . 18419 1 224 . 1 1 39 39 PHE HD2 H 1 6.470 0.001 . 3 . 221 . . 39 PHE HD2 . 18419 1 225 . 1 1 39 39 PHE HE1 H 1 6.408 0.001 . 3 . 222 . . 39 PHE HE1 . 18419 1 226 . 1 1 39 39 PHE HE2 H 1 6.408 0.001 . 3 . 223 . . 39 PHE HE2 . 18419 1 227 . 1 1 39 39 PHE C C 13 173.421 0.001 . 1 . 209 . . 39 PHE C . 18419 1 228 . 1 1 39 39 PHE CA C 13 56.391 0.027 . 1 . 210 . . 39 PHE CA . 18419 1 229 . 1 1 39 39 PHE CB C 13 43.565 0.018 . 1 . 211 . . 39 PHE CB . 18419 1 230 . 1 1 39 39 PHE CD1 C 13 131.834 0.001 . 3 . 212 . . 39 PHE CD1 . 18419 1 231 . 1 1 39 39 PHE CD2 C 13 131.834 0.001 . 3 . 213 . . 39 PHE CD2 . 18419 1 232 . 1 1 39 39 PHE CE1 C 13 130.137 0.001 . 3 . 214 . . 39 PHE CE1 . 18419 1 233 . 1 1 39 39 PHE CE2 C 13 130.148 0.004 . 3 . 215 . . 39 PHE CE2 . 18419 1 234 . 1 1 39 39 PHE N N 15 121.347 0.014 . 1 . 224 . . 39 PHE N . 18419 1 235 . 1 1 40 40 ARG H H 1 8.004 0.002 . 1 . 230 . . 40 ARG H . 18419 1 236 . 1 1 40 40 ARG HA H 1 4.061 0.002 . 1 . 231 . . 40 ARG HA . 18419 1 237 . 1 1 40 40 ARG HB2 H 1 1.556 0.001 . 2 . 232 . . 40 ARG HB2 . 18419 1 238 . 1 1 40 40 ARG HB3 H 1 1.540 0.003 . 2 . 233 . . 40 ARG HB3 . 18419 1 239 . 1 1 40 40 ARG HG2 H 1 1.224 0.003 . 2 . 236 . . 40 ARG HG2 . 18419 1 240 . 1 1 40 40 ARG HG3 H 1 0.923 0.001 . 2 . 237 . . 40 ARG HG3 . 18419 1 241 . 1 1 40 40 ARG HD2 H 1 2.933 0.002 . 2 . 234 . . 40 ARG HD2 . 18419 1 242 . 1 1 40 40 ARG HD3 H 1 2.926 0.001 . 2 . 235 . . 40 ARG HD3 . 18419 1 243 . 1 1 40 40 ARG C C 13 171.067 0.001 . 1 . 225 . . 40 ARG C . 18419 1 244 . 1 1 40 40 ARG CA C 13 53.923 0.019 . 1 . 226 . . 40 ARG CA . 18419 1 245 . 1 1 40 40 ARG CB C 13 32.795 0.043 . 1 . 227 . . 40 ARG CB . 18419 1 246 . 1 1 40 40 ARG CG C 13 26.672 0.031 . 1 . 229 . . 40 ARG CG . 18419 1 247 . 1 1 40 40 ARG CD C 13 43.118 0.008 . 1 . 228 . . 40 ARG CD . 18419 1 248 . 1 1 40 40 ARG N N 15 125.465 0.007 . 1 . 238 . . 40 ARG N . 18419 1 249 . 1 1 41 41 LYS H H 1 8.074 0.002 . 1 . 245 . . 41 LYS H . 18419 1 250 . 1 1 41 41 LYS HA H 1 5.271 0.003 . 1 . 246 . . 41 LYS HA . 18419 1 251 . 1 1 41 41 LYS HB2 H 1 1.610 0.004 . 2 . 247 . . 41 LYS HB2 . 18419 1 252 . 1 1 41 41 LYS HB3 H 1 1.592 0.001 . 2 . 248 . . 41 LYS HB3 . 18419 1 253 . 1 1 41 41 LYS HG2 H 1 1.258 0.002 . 2 . 253 . . 41 LYS HG2 . 18419 1 254 . 1 1 41 41 LYS HG3 H 1 1.588 0.01 . 2 . 254 . . 41 LYS HG3 . 18419 1 255 . 1 1 41 41 LYS HD2 H 1 1.882 0.001 . 2 . 249 . . 41 LYS HD2 . 18419 1 256 . 1 1 41 41 LYS HD3 H 1 1.877 0.001 . 2 . 250 . . 41 LYS HD3 . 18419 1 257 . 1 1 41 41 LYS HE2 H 1 2.986 0.002 . 2 . 251 . . 41 LYS HE2 . 18419 1 258 . 1 1 41 41 LYS HE3 H 1 3.142 0.001 . 2 . 252 . . 41 LYS HE3 . 18419 1 259 . 1 1 41 41 LYS C C 13 176.160 0.001 . 1 . 239 . . 41 LYS C . 18419 1 260 . 1 1 41 41 LYS CA C 13 53.640 0.043 . 1 . 240 . . 41 LYS CA . 18419 1 261 . 1 1 41 41 LYS CB C 13 36.172 0.05 . 1 . 241 . . 41 LYS CB . 18419 1 262 . 1 1 41 41 LYS CG C 13 23.706 0.031 . 1 . 244 . . 41 LYS CG . 18419 1 263 . 1 1 41 41 LYS CD C 13 30.095 0.014 . 1 . 242 . . 41 LYS CD . 18419 1 264 . 1 1 41 41 LYS CE C 13 42.505 0.01 . 1 . 243 . . 41 LYS CE . 18419 1 265 . 1 1 41 41 LYS N N 15 117.731 0.006 . 1 . 255 . . 41 LYS N . 18419 1 266 . 1 1 42 42 ASP H H 1 8.003 0.002 . 1 . 259 . . 42 ASP H . 18419 1 267 . 1 1 42 42 ASP HA H 1 4.857 0.002 . 1 . 260 . . 42 ASP HA . 18419 1 268 . 1 1 42 42 ASP HB2 H 1 2.320 0.005 . 2 . 261 . . 42 ASP HB2 . 18419 1 269 . 1 1 42 42 ASP HB3 H 1 2.951 0.001 . 2 . 262 . . 42 ASP HB3 . 18419 1 270 . 1 1 42 42 ASP C C 13 177.971 0.001 . 1 . 256 . . 42 ASP C . 18419 1 271 . 1 1 42 42 ASP CA C 13 51.965 0.04 . 1 . 257 . . 42 ASP CA . 18419 1 272 . 1 1 42 42 ASP CB C 13 43.144 0.032 . 1 . 258 . . 42 ASP CB . 18419 1 273 . 1 1 42 42 ASP N N 15 123.964 0.009 . 1 . 263 . . 42 ASP N . 18419 1 274 . 1 1 43 43 GLY H H 1 8.368 0.006 . 1 . 266 . . 43 GLY H . 18419 1 275 . 1 1 43 43 GLY HA2 H 1 3.773 0.001 . 2 . 267 . . 43 GLY HA2 . 18419 1 276 . 1 1 43 43 GLY HA3 H 1 3.763 0.001 . 2 . 268 . . 43 GLY HA3 . 18419 1 277 . 1 1 43 43 GLY C C 13 174.969 0.001 . 1 . 264 . . 43 GLY C . 18419 1 278 . 1 1 43 43 GLY CA C 13 46.002 0.019 . 1 . 265 . . 43 GLY CA . 18419 1 279 . 1 1 43 43 GLY N N 15 105.390 0.038 . 1 . 269 . . 43 GLY N . 18419 1 280 . 1 1 44 44 LYS H H 1 8.276 0.002 . 1 . 276 . . 44 LYS H . 18419 1 281 . 1 1 44 44 LYS HA H 1 4.354 0.008 . 1 . 277 . . 44 LYS HA . 18419 1 282 . 1 1 44 44 LYS HB2 H 1 1.909 0.004 . 2 . 278 . . 44 LYS HB2 . 18419 1 283 . 1 1 44 44 LYS HB3 H 1 1.794 0.007 . 2 . 279 . . 44 LYS HB3 . 18419 1 284 . 1 1 44 44 LYS HG2 H 1 1.299 0.001 . 2 . 284 . . 44 LYS HG2 . 18419 1 285 . 1 1 44 44 LYS HG3 H 1 1.303 0.001 . 2 . 285 . . 44 LYS HG3 . 18419 1 286 . 1 1 44 44 LYS HD2 H 1 1.584 0.004 . 2 . 280 . . 44 LYS HD2 . 18419 1 287 . 1 1 44 44 LYS HD3 H 1 1.600 0.001 . 2 . 281 . . 44 LYS HD3 . 18419 1 288 . 1 1 44 44 LYS HE2 H 1 2.895 0.005 . 2 . 282 . . 44 LYS HE2 . 18419 1 289 . 1 1 44 44 LYS HE3 H 1 2.886 0.001 . 2 . 283 . . 44 LYS HE3 . 18419 1 290 . 1 1 44 44 LYS C C 13 176.177 0.001 . 1 . 270 . . 44 LYS C . 18419 1 291 . 1 1 44 44 LYS CA C 13 55.616 0.027 . 1 . 271 . . 44 LYS CA . 18419 1 292 . 1 1 44 44 LYS CB C 13 31.703 0.042 . 1 . 272 . . 44 LYS CB . 18419 1 293 . 1 1 44 44 LYS CG C 13 24.664 0.001 . 1 . 275 . . 44 LYS CG . 18419 1 294 . 1 1 44 44 LYS CD C 13 29.064 0.001 . 1 . 273 . . 44 LYS CD . 18419 1 295 . 1 1 44 44 LYS CE C 13 42.137 0.001 . 1 . 274 . . 44 LYS CE . 18419 1 296 . 1 1 44 44 LYS N N 15 121.170 0.01 . 1 . 286 . . 44 LYS N . 18419 1 297 . 1 1 45 45 ASN H H 1 8.088 0.003 . 1 . 290 . . 45 ASN H . 18419 1 298 . 1 1 45 45 ASN HA H 1 4.055 0.001 . 1 . 291 . . 45 ASN HA . 18419 1 299 . 1 1 45 45 ASN HB2 H 1 3.097 0.001 . 2 . 292 . . 45 ASN HB2 . 18419 1 300 . 1 1 45 45 ASN HB3 H 1 3.165 0.002 . 2 . 293 . . 45 ASN HB3 . 18419 1 301 . 1 1 45 45 ASN C C 13 172.665 0.001 . 1 . 287 . . 45 ASN C . 18419 1 302 . 1 1 45 45 ASN CA C 13 55.301 0.076 . 1 . 288 . . 45 ASN CA . 18419 1 303 . 1 1 45 45 ASN CB C 13 36.916 0.022 . 1 . 289 . . 45 ASN CB . 18419 1 304 . 1 1 45 45 ASN N N 15 112.639 0.008 . 1 . 294 . . 45 ASN N . 18419 1 305 . 1 1 46 46 ALA H H 1 8.304 0.002 . 1 . 298 . . 46 ALA H . 18419 1 306 . 1 1 46 46 ALA HA H 1 4.797 0.001 . 1 . 299 . . 46 ALA HA . 18419 1 307 . 1 1 46 46 ALA HB1 H 1 1.275 0.001 . 1 . 300 . . 46 ALA HB1 . 18419 1 308 . 1 1 46 46 ALA HB2 H 1 1.275 0.001 . 1 . 300 . . 46 ALA HB2 . 18419 1 309 . 1 1 46 46 ALA HB3 H 1 1.275 0.001 . 1 . 300 . . 46 ALA HB3 . 18419 1 310 . 1 1 46 46 ALA C C 13 177.885 0.001 . 1 . 295 . . 46 ALA C . 18419 1 311 . 1 1 46 46 ALA CA C 13 51.579 0.004 . 1 . 296 . . 46 ALA CA . 18419 1 312 . 1 1 46 46 ALA CB C 13 20.303 0.002 . 1 . 297 . . 46 ALA CB . 18419 1 313 . 1 1 46 46 ALA N N 15 117.477 0.01 . 1 . 301 . . 46 ALA N . 18419 1 314 . 1 1 47 47 GLY H H 1 8.565 0.002 . 1 . 304 . . 47 GLY H . 18419 1 315 . 1 1 47 47 GLY HA2 H 1 3.326 0.001 . 2 . 305 . . 47 GLY HA2 . 18419 1 316 . 1 1 47 47 GLY HA3 H 1 4.387 0.001 . 2 . 306 . . 47 GLY HA3 . 18419 1 317 . 1 1 47 47 GLY C C 13 171.308 0.001 . 1 . 302 . . 47 GLY C . 18419 1 318 . 1 1 47 47 GLY CA C 13 45.980 0.008 . 1 . 303 . . 47 GLY CA . 18419 1 319 . 1 1 47 47 GLY N N 15 106.325 0.01 . 1 . 307 . . 47 GLY N . 18419 1 320 . 1 1 48 48 ILE H H 1 8.500 0.002 . 1 . 314 . . 48 ILE H . 18419 1 321 . 1 1 48 48 ILE HA H 1 4.656 0.001 . 1 . 315 . . 48 ILE HA . 18419 1 322 . 1 1 48 48 ILE HB H 1 1.415 0.004 . 1 . 316 . . 48 ILE HB . 18419 1 323 . 1 1 48 48 ILE HG12 H 1 1.079 0.001 . 2 . 318 . . 48 ILE HG12 . 18419 1 324 . 1 1 48 48 ILE HG13 H 1 0.688 0.002 . 2 . 319 . . 48 ILE HG13 . 18419 1 325 . 1 1 48 48 ILE HG21 H 1 0.468 0.002 . 1 . 320 . . 48 ILE HG21 . 18419 1 326 . 1 1 48 48 ILE HG22 H 1 0.468 0.002 . 1 . 320 . . 48 ILE HG22 . 18419 1 327 . 1 1 48 48 ILE HG23 H 1 0.468 0.002 . 1 . 320 . . 48 ILE HG23 . 18419 1 328 . 1 1 48 48 ILE HD11 H 1 0.549 0.001 . 1 . 317 . . 48 ILE HD11 . 18419 1 329 . 1 1 48 48 ILE HD12 H 1 0.549 0.001 . 1 . 317 . . 48 ILE HD12 . 18419 1 330 . 1 1 48 48 ILE HD13 H 1 0.549 0.001 . 1 . 317 . . 48 ILE HD13 . 18419 1 331 . 1 1 48 48 ILE C C 13 173.769 0.001 . 1 . 308 . . 48 ILE C . 18419 1 332 . 1 1 48 48 ILE CA C 13 59.983 0.04 . 1 . 309 . . 48 ILE CA . 18419 1 333 . 1 1 48 48 ILE CB C 13 38.417 0.08 . 1 . 310 . . 48 ILE CB . 18419 1 334 . 1 1 48 48 ILE CG1 C 13 27.600 0.012 . 1 . 312 . . 48 ILE CG1 . 18419 1 335 . 1 1 48 48 ILE CG2 C 13 17.908 0.018 . 1 . 313 . . 48 ILE CG2 . 18419 1 336 . 1 1 48 48 ILE CD1 C 13 13.001 0.005 . 1 . 311 . . 48 ILE CD1 . 18419 1 337 . 1 1 48 48 ILE N N 15 125.679 0.016 . 1 . 321 . . 48 ILE N . 18419 1 338 . 1 1 49 49 ILE H H 1 9.080 0.003 . 1 . 328 . . 49 ILE H . 18419 1 339 . 1 1 49 49 ILE HA H 1 4.912 0.004 . 1 . 329 . . 49 ILE HA . 18419 1 340 . 1 1 49 49 ILE HB H 1 2.082 0.004 . 1 . 330 . . 49 ILE HB . 18419 1 341 . 1 1 49 49 ILE HG12 H 1 1.641 0.001 . 2 . 332 . . 49 ILE HG12 . 18419 1 342 . 1 1 49 49 ILE HG13 H 1 1.364 0.001 . 2 . 333 . . 49 ILE HG13 . 18419 1 343 . 1 1 49 49 ILE HG21 H 1 0.923 0.003 . 1 . 334 . . 49 ILE HG21 . 18419 1 344 . 1 1 49 49 ILE HG22 H 1 0.923 0.003 . 1 . 334 . . 49 ILE HG22 . 18419 1 345 . 1 1 49 49 ILE HG23 H 1 0.923 0.003 . 1 . 334 . . 49 ILE HG23 . 18419 1 346 . 1 1 49 49 ILE HD11 H 1 1.017 0.001 . 1 . 331 . . 49 ILE HD11 . 18419 1 347 . 1 1 49 49 ILE HD12 H 1 1.017 0.001 . 1 . 331 . . 49 ILE HD12 . 18419 1 348 . 1 1 49 49 ILE HD13 H 1 1.017 0.001 . 1 . 331 . . 49 ILE HD13 . 18419 1 349 . 1 1 49 49 ILE C C 13 175.084 0.001 . 1 . 322 . . 49 ILE C . 18419 1 350 . 1 1 49 49 ILE CA C 13 60.751 0.054 . 1 . 323 . . 49 ILE CA . 18419 1 351 . 1 1 49 49 ILE CB C 13 40.483 0.07 . 1 . 324 . . 49 ILE CB . 18419 1 352 . 1 1 49 49 ILE CG1 C 13 33.015 0.02 . 1 . 326 . . 49 ILE CG1 . 18419 1 353 . 1 1 49 49 ILE CG2 C 13 21.249 0.033 . 1 . 327 . . 49 ILE CG2 . 18419 1 354 . 1 1 49 49 ILE CD1 C 13 17.129 0.009 . 1 . 325 . . 49 ILE CD1 . 18419 1 355 . 1 1 49 49 ILE N N 15 127.091 0.013 . 1 . 335 . . 49 ILE N . 18419 1 356 . 1 1 50 50 GLU H H 1 8.541 0.004 . 1 . 340 . . 50 GLU H . 18419 1 357 . 1 1 50 50 GLU HA H 1 5.189 0.009 . 1 . 341 . . 50 GLU HA . 18419 1 358 . 1 1 50 50 GLU HB2 H 1 1.643 0.011 . 2 . 342 . . 50 GLU HB2 . 18419 1 359 . 1 1 50 50 GLU HB3 H 1 1.940 0.001 . 2 . 343 . . 50 GLU HB3 . 18419 1 360 . 1 1 50 50 GLU HG2 H 1 1.929 0.014 . 2 . 344 . . 50 GLU HG2 . 18419 1 361 . 1 1 50 50 GLU HG3 H 1 1.873 0.001 . 2 . 345 . . 50 GLU HG3 . 18419 1 362 . 1 1 50 50 GLU C C 13 175.046 0.001 . 1 . 336 . . 50 GLU C . 18419 1 363 . 1 1 50 50 GLU CA C 13 54.262 0.013 . 1 . 337 . . 50 GLU CA . 18419 1 364 . 1 1 50 50 GLU CB C 13 30.860 0.017 . 1 . 338 . . 50 GLU CB . 18419 1 365 . 1 1 50 50 GLU CG C 13 35.224 0.001 . 1 . 339 . . 50 GLU CG . 18419 1 366 . 1 1 50 50 GLU N N 15 126.230 0.041 . 1 . 346 . . 50 GLU N . 18419 1 367 . 1 1 51 51 LEU H H 1 9.282 0.002 . 1 . 353 . . 51 LEU H . 18419 1 368 . 1 1 51 51 LEU HA H 1 5.173 0.007 . 1 . 354 . . 51 LEU HA . 18419 1 369 . 1 1 51 51 LEU HB2 H 1 1.248 0.004 . 2 . 355 . . 51 LEU HB2 . 18419 1 370 . 1 1 51 51 LEU HB3 H 1 2.164 0.003 . 2 . 356 . . 51 LEU HB3 . 18419 1 371 . 1 1 51 51 LEU HG H 1 1.478 0.008 . 1 . 359 . . 51 LEU HG . 18419 1 372 . 1 1 51 51 LEU HD11 H 1 0.722 0.005 . 2 . 357 . . 51 LEU HD11 . 18419 1 373 . 1 1 51 51 LEU HD12 H 1 0.722 0.005 . 2 . 357 . . 51 LEU HD12 . 18419 1 374 . 1 1 51 51 LEU HD13 H 1 0.722 0.005 . 2 . 357 . . 51 LEU HD13 . 18419 1 375 . 1 1 51 51 LEU HD21 H 1 0.733 0.001 . 2 . 358 . . 51 LEU HD21 . 18419 1 376 . 1 1 51 51 LEU HD22 H 1 0.733 0.001 . 2 . 358 . . 51 LEU HD22 . 18419 1 377 . 1 1 51 51 LEU HD23 H 1 0.733 0.001 . 2 . 358 . . 51 LEU HD23 . 18419 1 378 . 1 1 51 51 LEU C C 13 173.197 0.001 . 1 . 347 . . 51 LEU C . 18419 1 379 . 1 1 51 51 LEU CA C 13 53.420 0.071 . 1 . 348 . . 51 LEU CA . 18419 1 380 . 1 1 51 51 LEU CB C 13 45.869 0.046 . 1 . 349 . . 51 LEU CB . 18419 1 381 . 1 1 51 51 LEU CG C 13 27.842 0.025 . 1 . 352 . . 51 LEU CG . 18419 1 382 . 1 1 51 51 LEU CD1 C 13 26.552 0.029 . 2 . 350 . . 51 LEU CD1 . 18419 1 383 . 1 1 51 51 LEU CD2 C 13 23.638 0.001 . 2 . 351 . . 51 LEU CD2 . 18419 1 384 . 1 1 51 51 LEU N N 15 127.264 0.012 . 1 . 360 . . 51 LEU N . 18419 1 385 . 1 1 52 52 ALA H H 1 8.824 0.002 . 1 . 364 . . 52 ALA H . 18419 1 386 . 1 1 52 52 ALA HA H 1 4.714 0.001 . 1 . 365 . . 52 ALA HA . 18419 1 387 . 1 1 52 52 ALA HB1 H 1 1.106 0.001 . 1 . 366 . . 52 ALA HB1 . 18419 1 388 . 1 1 52 52 ALA HB2 H 1 1.106 0.001 . 1 . 366 . . 52 ALA HB2 . 18419 1 389 . 1 1 52 52 ALA HB3 H 1 1.106 0.001 . 1 . 366 . . 52 ALA HB3 . 18419 1 390 . 1 1 52 52 ALA C C 13 174.837 0.001 . 1 . 361 . . 52 ALA C . 18419 1 391 . 1 1 52 52 ALA CA C 13 50.364 0.007 . 1 . 362 . . 52 ALA CA . 18419 1 392 . 1 1 52 52 ALA CB C 13 20.428 0.008 . 1 . 363 . . 52 ALA CB . 18419 1 393 . 1 1 52 52 ALA N N 15 131.603 0.009 . 1 . 367 . . 52 ALA N . 18419 1 394 . 1 1 53 53 ALA H H 1 9.226 0.001 . 1 . 371 . . 53 ALA H . 18419 1 395 . 1 1 53 53 ALA HA H 1 4.714 0.001 . 1 . 372 . . 53 ALA HA . 18419 1 396 . 1 1 53 53 ALA HB1 H 1 0.598 0.001 . 1 . 373 . . 53 ALA HB1 . 18419 1 397 . 1 1 53 53 ALA HB2 H 1 0.598 0.001 . 1 . 373 . . 53 ALA HB2 . 18419 1 398 . 1 1 53 53 ALA HB3 H 1 0.598 0.001 . 1 . 373 . . 53 ALA HB3 . 18419 1 399 . 1 1 53 53 ALA C C 13 174.860 0.001 . 1 . 368 . . 53 ALA C . 18419 1 400 . 1 1 53 53 ALA CA C 13 50.010 0.001 . 1 . 369 . . 53 ALA CA . 18419 1 401 . 1 1 53 53 ALA CB C 13 18.304 0.003 . 1 . 370 . . 53 ALA CB . 18419 1 402 . 1 1 53 53 ALA N N 15 129.649 0.006 . 1 . 374 . . 53 ALA N . 18419 1 403 . 1 1 54 54 LEU H H 1 7.769 0.002 . 1 . 381 . . 54 LEU H . 18419 1 404 . 1 1 54 54 LEU HA H 1 3.897 0.002 . 1 . 382 . . 54 LEU HA . 18419 1 405 . 1 1 54 54 LEU HB2 H 1 1.471 0.002 . 2 . 383 . . 54 LEU HB2 . 18419 1 406 . 1 1 54 54 LEU HB3 H 1 1.657 0.001 . 2 . 384 . . 54 LEU HB3 . 18419 1 407 . 1 1 54 54 LEU HG H 1 1.561 0.001 . 1 . 387 . . 54 LEU HG . 18419 1 408 . 1 1 54 54 LEU HD11 H 1 0.687 0.007 . 2 . 385 . . 54 LEU HD11 . 18419 1 409 . 1 1 54 54 LEU HD12 H 1 0.687 0.007 . 2 . 385 . . 54 LEU HD12 . 18419 1 410 . 1 1 54 54 LEU HD13 H 1 0.687 0.007 . 2 . 385 . . 54 LEU HD13 . 18419 1 411 . 1 1 54 54 LEU HD21 H 1 0.806 0.002 . 2 . 386 . . 54 LEU HD21 . 18419 1 412 . 1 1 54 54 LEU HD22 H 1 0.806 0.002 . 2 . 386 . . 54 LEU HD22 . 18419 1 413 . 1 1 54 54 LEU HD23 H 1 0.806 0.002 . 2 . 386 . . 54 LEU HD23 . 18419 1 414 . 1 1 54 54 LEU C C 13 178.806 0.001 . 1 . 375 . . 54 LEU C . 18419 1 415 . 1 1 54 54 LEU CA C 13 57.476 0.024 . 1 . 376 . . 54 LEU CA . 18419 1 416 . 1 1 54 54 LEU CB C 13 40.676 0.05 . 1 . 377 . . 54 LEU CB . 18419 1 417 . 1 1 54 54 LEU CG C 13 27.589 0.003 . 1 . 380 . . 54 LEU CG . 18419 1 418 . 1 1 54 54 LEU CD1 C 13 23.565 0.04 . 2 . 378 . . 54 LEU CD1 . 18419 1 419 . 1 1 54 54 LEU CD2 C 13 24.536 0.036 . 2 . 379 . . 54 LEU CD2 . 18419 1 420 . 1 1 54 54 LEU N N 15 120.831 0.014 . 1 . 388 . . 54 LEU N . 18419 1 421 . 1 1 55 55 GLY H H 1 8.759 0.003 . 1 . 391 . . 55 GLY H . 18419 1 422 . 1 1 55 55 GLY HA2 H 1 3.638 0.001 . 2 . 392 . . 55 GLY HA2 . 18419 1 423 . 1 1 55 55 GLY HA3 H 1 4.246 0.001 . 2 . 393 . . 55 GLY HA3 . 18419 1 424 . 1 1 55 55 GLY C C 13 174.358 0.001 . 1 . 389 . . 55 GLY C . 18419 1 425 . 1 1 55 55 GLY CA C 13 44.981 0.014 . 1 . 390 . . 55 GLY CA . 18419 1 426 . 1 1 55 55 GLY N N 15 110.867 0.018 . 1 . 394 . . 55 GLY N . 18419 1 427 . 1 1 56 56 PHE H H 1 8.108 0.001 . 1 . 402 . . 56 PHE H . 18419 1 428 . 1 1 56 56 PHE HA H 1 4.586 0.001 . 1 . 403 . . 56 PHE HA . 18419 1 429 . 1 1 56 56 PHE HB2 H 1 2.451 0.001 . 2 . 404 . . 56 PHE HB2 . 18419 1 430 . 1 1 56 56 PHE HB3 H 1 2.965 0.001 . 2 . 405 . . 56 PHE HB3 . 18419 1 431 . 1 1 56 56 PHE HD1 H 1 7.207 0.001 . 3 . 406 . . 56 PHE HD1 . 18419 1 432 . 1 1 56 56 PHE HD2 H 1 7.207 0.001 . 3 . 407 . . 56 PHE HD2 . 18419 1 433 . 1 1 56 56 PHE HE1 H 1 7.034 0.001 . 3 . 408 . . 56 PHE HE1 . 18419 1 434 . 1 1 56 56 PHE HE2 H 1 7.047 0.003 . 3 . 409 . . 56 PHE HE2 . 18419 1 435 . 1 1 56 56 PHE C C 13 175.265 0.001 . 1 . 395 . . 56 PHE C . 18419 1 436 . 1 1 56 56 PHE CA C 13 58.386 0.027 . 1 . 396 . . 56 PHE CA . 18419 1 437 . 1 1 56 56 PHE CB C 13 39.574 0.043 . 1 . 397 . . 56 PHE CB . 18419 1 438 . 1 1 56 56 PHE CD1 C 13 132.218 0.001 . 3 . 398 . . 56 PHE CD1 . 18419 1 439 . 1 1 56 56 PHE CD2 C 13 132.218 0.001 . 3 . 399 . . 56 PHE CD2 . 18419 1 440 . 1 1 56 56 PHE CE1 C 13 131.992 0.001 . 3 . 400 . . 56 PHE CE1 . 18419 1 441 . 1 1 56 56 PHE CE2 C 13 131.992 0.001 . 3 . 401 . . 56 PHE CE2 . 18419 1 442 . 1 1 56 56 PHE N N 15 122.102 0.016 . 1 . 410 . . 56 PHE N . 18419 1 443 . 1 1 57 57 ALA H H 1 8.390 0.003 . 1 . 414 . . 57 ALA H . 18419 1 444 . 1 1 57 57 ALA HA H 1 4.341 0.001 . 1 . 415 . . 57 ALA HA . 18419 1 445 . 1 1 57 57 ALA HB1 H 1 1.179 0.001 . 1 . 416 . . 57 ALA HB1 . 18419 1 446 . 1 1 57 57 ALA HB2 H 1 1.179 0.001 . 1 . 416 . . 57 ALA HB2 . 18419 1 447 . 1 1 57 57 ALA HB3 H 1 1.179 0.001 . 1 . 416 . . 57 ALA HB3 . 18419 1 448 . 1 1 57 57 ALA C C 13 176.650 0.001 . 1 . 411 . . 57 ALA C . 18419 1 449 . 1 1 57 57 ALA CA C 13 51.429 0.003 . 1 . 412 . . 57 ALA CA . 18419 1 450 . 1 1 57 57 ALA CB C 13 19.771 0.001 . 1 . 413 . . 57 ALA CB . 18419 1 451 . 1 1 57 57 ALA N N 15 132.719 0.008 . 1 . 417 . . 57 ALA N . 18419 1 452 . 1 1 58 58 GLY H H 1 5.844 0.004 . 1 . 420 . . 58 GLY H . 18419 1 453 . 1 1 58 58 GLY HA2 H 1 3.339 0.003 . 2 . 421 . . 58 GLY HA2 . 18419 1 454 . 1 1 58 58 GLY HA3 H 1 4.000 0.002 . 2 . 422 . . 58 GLY HA3 . 18419 1 455 . 1 1 58 58 GLY C C 13 172.179 0.001 . 1 . 418 . . 58 GLY C . 18419 1 456 . 1 1 58 58 GLY CA C 13 44.182 0.025 . 1 . 419 . . 58 GLY CA . 18419 1 457 . 1 1 58 58 GLY N N 15 105.437 0.018 . 1 . 423 . . 58 GLY N . 18419 1 458 . 1 1 59 59 GLN H H 1 8.325 0.002 . 1 . 428 . . 59 GLN H . 18419 1 459 . 1 1 59 59 GLN HA H 1 4.985 0.002 . 1 . 429 . . 59 GLN HA . 18419 1 460 . 1 1 59 59 GLN HB2 H 1 1.841 0.003 . 2 . 430 . . 59 GLN HB2 . 18419 1 461 . 1 1 59 59 GLN HB3 H 1 2.078 0.008 . 2 . 431 . . 59 GLN HB3 . 18419 1 462 . 1 1 59 59 GLN HG2 H 1 2.386 0.001 . 2 . 434 . . 59 GLN HG2 . 18419 1 463 . 1 1 59 59 GLN HG3 H 1 2.382 0.001 . 2 . 435 . . 59 GLN HG3 . 18419 1 464 . 1 1 59 59 GLN HE21 H 1 7.581 0.001 . 1 . 432 . . 59 GLN HE21 . 18419 1 465 . 1 1 59 59 GLN HE22 H 1 6.847 0.001 . 1 . 433 . . 59 GLN HE22 . 18419 1 466 . 1 1 59 59 GLN C C 13 174.493 0.001 . 1 . 424 . . 59 GLN C . 18419 1 467 . 1 1 59 59 GLN CA C 13 51.921 0.003 . 1 . 425 . . 59 GLN CA . 18419 1 468 . 1 1 59 59 GLN CB C 13 29.987 0.018 . 1 . 426 . . 59 GLN CB . 18419 1 469 . 1 1 59 59 GLN CG C 13 33.223 0.078 . 1 . 427 . . 59 GLN CG . 18419 1 470 . 1 1 59 59 GLN N N 15 117.994 0.008 . 1 . 436 . . 59 GLN N . 18419 1 471 . 1 1 59 59 GLN NE2 N 15 112.894 0.001 . 1 . 437 . . 59 GLN NE2 . 18419 1 472 . 1 1 60 60 PRO HA H 1 4.342 0.002 . 1 . 443 . . 60 PRO HA . 18419 1 473 . 1 1 60 60 PRO HB2 H 1 1.388 0.002 . 2 . 444 . . 60 PRO HB2 . 18419 1 474 . 1 1 60 60 PRO HB3 H 1 1.372 0.001 . 2 . 445 . . 60 PRO HB3 . 18419 1 475 . 1 1 60 60 PRO HG2 H 1 0.875 0.002 . 2 . 448 . . 60 PRO HG2 . 18419 1 476 . 1 1 60 60 PRO HG3 H 1 1.391 0.006 . 2 . 449 . . 60 PRO HG3 . 18419 1 477 . 1 1 60 60 PRO HD2 H 1 3.590 0.003 . 2 . 446 . . 60 PRO HD2 . 18419 1 478 . 1 1 60 60 PRO HD3 H 1 3.419 0.001 . 2 . 447 . . 60 PRO HD3 . 18419 1 479 . 1 1 60 60 PRO C C 13 174.933 0.001 . 1 . 438 . . 60 PRO C . 18419 1 480 . 1 1 60 60 PRO CA C 13 62.375 0.01 . 1 . 439 . . 60 PRO CA . 18419 1 481 . 1 1 60 60 PRO CB C 13 32.117 0.049 . 1 . 440 . . 60 PRO CB . 18419 1 482 . 1 1 60 60 PRO CG C 13 26.120 0.043 . 1 . 442 . . 60 PRO CG . 18419 1 483 . 1 1 60 60 PRO CD C 13 50.912 0.007 . 1 . 441 . . 60 PRO CD . 18419 1 484 . 1 1 61 61 ASP H H 1 8.496 0.002 . 1 . 453 . . 61 ASP H . 18419 1 485 . 1 1 61 61 ASP HA H 1 4.801 0.001 . 1 . 454 . . 61 ASP HA . 18419 1 486 . 1 1 61 61 ASP HB2 H 1 2.635 0.001 . 2 . 455 . . 61 ASP HB2 . 18419 1 487 . 1 1 61 61 ASP HB3 H 1 2.525 0.002 . 2 . 456 . . 61 ASP HB3 . 18419 1 488 . 1 1 61 61 ASP C C 13 175.221 0.001 . 1 . 450 . . 61 ASP C . 18419 1 489 . 1 1 61 61 ASP CA C 13 53.899 0.001 . 1 . 451 . . 61 ASP CA . 18419 1 490 . 1 1 61 61 ASP CB C 13 42.845 0.029 . 1 . 452 . . 61 ASP CB . 18419 1 491 . 1 1 61 61 ASP N N 15 122.860 0.01 . 1 . 457 . . 61 ASP N . 18419 1 492 . 1 1 62 62 ILE H H 1 8.707 0.002 . 1 . 464 . . 62 ILE H . 18419 1 493 . 1 1 62 62 ILE HA H 1 4.544 0.006 . 1 . 465 . . 62 ILE HA . 18419 1 494 . 1 1 62 62 ILE HB H 1 1.705 0.007 . 1 . 466 . . 62 ILE HB . 18419 1 495 . 1 1 62 62 ILE HG12 H 1 0.734 0.007 . 2 . 468 . . 62 ILE HG12 . 18419 1 496 . 1 1 62 62 ILE HG13 H 1 1.446 0.009 . 2 . 469 . . 62 ILE HG13 . 18419 1 497 . 1 1 62 62 ILE HG21 H 1 0.601 0.004 . 1 . 470 . . 62 ILE HG21 . 18419 1 498 . 1 1 62 62 ILE HG22 H 1 0.601 0.004 . 1 . 470 . . 62 ILE HG22 . 18419 1 499 . 1 1 62 62 ILE HG23 H 1 0.601 0.004 . 1 . 470 . . 62 ILE HG23 . 18419 1 500 . 1 1 62 62 ILE HD11 H 1 0.845 0.002 . 1 . 467 . . 62 ILE HD11 . 18419 1 501 . 1 1 62 62 ILE HD12 H 1 0.845 0.002 . 1 . 467 . . 62 ILE HD12 . 18419 1 502 . 1 1 62 62 ILE HD13 H 1 0.845 0.002 . 1 . 467 . . 62 ILE HD13 . 18419 1 503 . 1 1 62 62 ILE C C 13 175.224 0.001 . 1 . 458 . . 62 ILE C . 18419 1 504 . 1 1 62 62 ILE CA C 13 61.169 0.07 . 1 . 459 . . 62 ILE CA . 18419 1 505 . 1 1 62 62 ILE CB C 13 39.837 0.077 . 1 . 460 . . 62 ILE CB . 18419 1 506 . 1 1 62 62 ILE CG1 C 13 27.862 0.025 . 1 . 462 . . 62 ILE CG1 . 18419 1 507 . 1 1 62 62 ILE CG2 C 13 17.562 0.011 . 1 . 463 . . 62 ILE CG2 . 18419 1 508 . 1 1 62 62 ILE CD1 C 13 13.967 0.017 . 1 . 461 . . 62 ILE CD1 . 18419 1 509 . 1 1 62 62 ILE N N 15 125.357 0.009 . 1 . 471 . . 62 ILE N . 18419 1 510 . 1 1 63 63 SER H H 1 9.042 0.002 . 1 . 475 . . 63 SER H . 18419 1 511 . 1 1 63 63 SER HA H 1 4.772 0.001 . 1 . 476 . . 63 SER HA . 18419 1 512 . 1 1 63 63 SER HB2 H 1 3.674 0.001 . 2 . 477 . . 63 SER HB2 . 18419 1 513 . 1 1 63 63 SER HB3 H 1 3.766 0.001 . 2 . 478 . . 63 SER HB3 . 18419 1 514 . 1 1 63 63 SER C C 13 173.419 0.001 . 1 . 472 . . 63 SER C . 18419 1 515 . 1 1 63 63 SER CA C 13 56.202 0.022 . 1 . 473 . . 63 SER CA . 18419 1 516 . 1 1 63 63 SER CB C 13 64.712 0.033 . 1 . 474 . . 63 SER CB . 18419 1 517 . 1 1 63 63 SER N N 15 123.697 0.03 . 1 . 479 . . 63 SER N . 18419 1 518 . 1 1 64 64 GLN H H 1 8.963 0.002 . 1 . 484 . . 64 GLN H . 18419 1 519 . 1 1 64 64 GLN HA H 1 4.699 0.008 . 1 . 485 . . 64 GLN HA . 18419 1 520 . 1 1 64 64 GLN HB2 H 1 2.074 0.004 . 2 . 486 . . 64 GLN HB2 . 18419 1 521 . 1 1 64 64 GLN HB3 H 1 2.245 0.003 . 2 . 487 . . 64 GLN HB3 . 18419 1 522 . 1 1 64 64 GLN HG2 H 1 2.357 0.003 . 2 . 488 . . 64 GLN HG2 . 18419 1 523 . 1 1 64 64 GLN HG3 H 1 2.083 0.001 . 2 . 489 . . 64 GLN HG3 . 18419 1 524 . 1 1 64 64 GLN C C 13 174.532 0.001 . 1 . 480 . . 64 GLN C . 18419 1 525 . 1 1 64 64 GLN CA C 13 56.051 0.05 . 1 . 481 . . 64 GLN CA . 18419 1 526 . 1 1 64 64 GLN CB C 13 30.647 0.015 . 1 . 482 . . 64 GLN CB . 18419 1 527 . 1 1 64 64 GLN CG C 13 34.936 0.009 . 1 . 483 . . 64 GLN CG . 18419 1 528 . 1 1 64 64 GLN N N 15 125.377 0.028 . 1 . 490 . . 64 GLN N . 18419 1 529 . 1 1 65 65 GLN H H 1 8.580 0.002 . 1 . 495 . . 65 GLN H . 18419 1 530 . 1 1 65 65 GLN HA H 1 4.588 0.002 . 1 . 496 . . 65 GLN HA . 18419 1 531 . 1 1 65 65 GLN HB2 H 1 1.214 0.003 . 2 . 497 . . 65 GLN HB2 . 18419 1 532 . 1 1 65 65 GLN HB3 H 1 1.209 0.001 . 2 . 498 . . 65 GLN HB3 . 18419 1 533 . 1 1 65 65 GLN HG2 H 1 2.030 0.007 . 2 . 501 . . 65 GLN HG2 . 18419 1 534 . 1 1 65 65 GLN HG3 H 1 2.126 0.008 . 2 . 502 . . 65 GLN HG3 . 18419 1 535 . 1 1 65 65 GLN HE21 H 1 6.651 0.002 . 1 . 499 . . 65 GLN HE21 . 18419 1 536 . 1 1 65 65 GLN HE22 H 1 7.104 0.001 . 1 . 500 . . 65 GLN HE22 . 18419 1 537 . 1 1 65 65 GLN C C 13 175.851 0.001 . 1 . 491 . . 65 GLN C . 18419 1 538 . 1 1 65 65 GLN CA C 13 53.867 0.014 . 1 . 492 . . 65 GLN CA . 18419 1 539 . 1 1 65 65 GLN CB C 13 30.038 0.05 . 1 . 493 . . 65 GLN CB . 18419 1 540 . 1 1 65 65 GLN CG C 13 33.384 0.077 . 1 . 494 . . 65 GLN CG . 18419 1 541 . 1 1 65 65 GLN N N 15 123.389 0.013 . 1 . 503 . . 65 GLN N . 18419 1 542 . 1 1 65 65 GLN NE2 N 15 111.851 0.002 . 1 . 504 . . 65 GLN NE2 . 18419 1 543 . 1 1 66 66 HIS H H 1 8.634 0.006 . 1 . 509 . . 66 HIS H . 18419 1 544 . 1 1 66 66 HIS HA H 1 4.294 0.001 . 1 . 510 . . 66 HIS HA . 18419 1 545 . 1 1 66 66 HIS HB2 H 1 3.127 0.001 . 2 . 511 . . 66 HIS HB2 . 18419 1 546 . 1 1 66 66 HIS HB3 H 1 3.190 0.001 . 2 . 512 . . 66 HIS HB3 . 18419 1 547 . 1 1 66 66 HIS HD2 H 1 7.095 0.001 . 1 . 513 . . 66 HIS HD2 . 18419 1 548 . 1 1 66 66 HIS C C 13 175.907 0.001 . 1 . 505 . . 66 HIS C . 18419 1 549 . 1 1 66 66 HIS CA C 13 59.633 0.004 . 1 . 506 . . 66 HIS CA . 18419 1 550 . 1 1 66 66 HIS CB C 13 29.341 0.001 . 1 . 507 . . 66 HIS CB . 18419 1 551 . 1 1 66 66 HIS CD2 C 13 119.742 0.001 . 1 . 508 . . 66 HIS CD2 . 18419 1 552 . 1 1 66 66 HIS N N 15 118.425 0.035 . 1 . 514 . . 66 HIS N . 18419 1 553 . 1 1 67 67 ASP H H 1 8.042 0.002 . 1 . 518 . . 67 ASP H . 18419 1 554 . 1 1 67 67 ASP HA H 1 4.740 0.001 . 1 . 519 . . 67 ASP HA . 18419 1 555 . 1 1 67 67 ASP HB2 H 1 2.527 0.001 . 2 . 520 . . 67 ASP HB2 . 18419 1 556 . 1 1 67 67 ASP HB3 H 1 2.983 0.001 . 2 . 521 . . 67 ASP HB3 . 18419 1 557 . 1 1 67 67 ASP C C 13 175.860 0.001 . 1 . 515 . . 67 ASP C . 18419 1 558 . 1 1 67 67 ASP CA C 13 52.744 0.001 . 1 . 516 . . 67 ASP CA . 18419 1 559 . 1 1 67 67 ASP CB C 13 40.571 0.001 . 1 . 517 . . 67 ASP CB . 18419 1 560 . 1 1 67 67 ASP N N 15 116.196 0.011 . 1 . 522 . . 67 ASP N . 18419 1 561 . 1 1 68 68 HIS H H 1 7.250 0.002 . 1 . 527 . . 68 HIS H . 18419 1 562 . 1 1 68 68 HIS HA H 1 5.240 0.001 . 1 . 528 . . 68 HIS HA . 18419 1 563 . 1 1 68 68 HIS HB2 H 1 3.257 0.001 . 2 . 529 . . 68 HIS HB2 . 18419 1 564 . 1 1 68 68 HIS HB3 H 1 2.614 0.001 . 2 . 530 . . 68 HIS HB3 . 18419 1 565 . 1 1 68 68 HIS HD2 H 1 6.476 0.001 . 1 . 531 . . 68 HIS HD2 . 18419 1 566 . 1 1 68 68 HIS C C 13 172.102 0.001 . 1 . 523 . . 68 HIS C . 18419 1 567 . 1 1 68 68 HIS CA C 13 55.860 0.001 . 1 . 524 . . 68 HIS CA . 18419 1 568 . 1 1 68 68 HIS CB C 13 31.034 0.005 . 1 . 525 . . 68 HIS CB . 18419 1 569 . 1 1 68 68 HIS CD2 C 13 124.221 0.001 . 1 . 526 . . 68 HIS CD2 . 18419 1 570 . 1 1 68 68 HIS N N 15 112.447 0.012 . 1 . 532 . . 68 HIS N . 18419 1 571 . 1 1 69 69 ILE H H 1 8.916 0.002 . 1 . 539 . . 69 ILE H . 18419 1 572 . 1 1 69 69 ILE HA H 1 4.476 0.002 . 1 . 540 . . 69 ILE HA . 18419 1 573 . 1 1 69 69 ILE HB H 1 1.298 0.001 . 1 . 541 . . 69 ILE HB . 18419 1 574 . 1 1 69 69 ILE HG12 H 1 0.655 0.001 . 2 . 543 . . 69 ILE HG12 . 18419 1 575 . 1 1 69 69 ILE HG13 H 1 1.129 0.001 . 2 . 544 . . 69 ILE HG13 . 18419 1 576 . 1 1 69 69 ILE HG21 H 1 0.502 0.001 . 1 . 545 . . 69 ILE HG21 . 18419 1 577 . 1 1 69 69 ILE HG22 H 1 0.502 0.001 . 1 . 545 . . 69 ILE HG22 . 18419 1 578 . 1 1 69 69 ILE HG23 H 1 0.502 0.001 . 1 . 545 . . 69 ILE HG23 . 18419 1 579 . 1 1 69 69 ILE HD11 H 1 -0.011 0.001 . 1 . 542 . . 69 ILE HD11 . 18419 1 580 . 1 1 69 69 ILE HD12 H 1 -0.011 0.001 . 1 . 542 . . 69 ILE HD12 . 18419 1 581 . 1 1 69 69 ILE HD13 H 1 -0.011 0.001 . 1 . 542 . . 69 ILE HD13 . 18419 1 582 . 1 1 69 69 ILE C C 13 174.519 0.001 . 1 . 533 . . 69 ILE C . 18419 1 583 . 1 1 69 69 ILE CA C 13 60.305 0.025 . 1 . 534 . . 69 ILE CA . 18419 1 584 . 1 1 69 69 ILE CB C 13 41.811 0.079 . 1 . 535 . . 69 ILE CB . 18419 1 585 . 1 1 69 69 ILE CG1 C 13 28.720 0.01 . 1 . 537 . . 69 ILE CG1 . 18419 1 586 . 1 1 69 69 ILE CG2 C 13 18.457 0.008 . 1 . 538 . . 69 ILE CG2 . 18419 1 587 . 1 1 69 69 ILE CD1 C 13 15.605 0.025 . 1 . 536 . . 69 ILE CD1 . 18419 1 588 . 1 1 69 69 ILE N N 15 120.356 0.012 . 1 . 546 . . 69 ILE N . 18419 1 589 . 1 1 70 70 ILE H H 1 8.896 0.002 . 1 . 553 . . 70 ILE H . 18419 1 590 . 1 1 70 70 ILE HA H 1 4.652 0.004 . 1 . 554 . . 70 ILE HA . 18419 1 591 . 1 1 70 70 ILE HB H 1 1.682 0.006 . 1 . 555 . . 70 ILE HB . 18419 1 592 . 1 1 70 70 ILE HG12 H 1 0.911 0.002 . 2 . 557 . . 70 ILE HG12 . 18419 1 593 . 1 1 70 70 ILE HG13 H 1 1.424 0.003 . 2 . 558 . . 70 ILE HG13 . 18419 1 594 . 1 1 70 70 ILE HG21 H 1 0.610 0.007 . 1 . 559 . . 70 ILE HG21 . 18419 1 595 . 1 1 70 70 ILE HG22 H 1 0.610 0.007 . 1 . 559 . . 70 ILE HG22 . 18419 1 596 . 1 1 70 70 ILE HG23 H 1 0.610 0.007 . 1 . 559 . . 70 ILE HG23 . 18419 1 597 . 1 1 70 70 ILE HD11 H 1 0.725 0.001 . 1 . 556 . . 70 ILE HD11 . 18419 1 598 . 1 1 70 70 ILE HD12 H 1 0.725 0.001 . 1 . 556 . . 70 ILE HD12 . 18419 1 599 . 1 1 70 70 ILE HD13 H 1 0.725 0.001 . 1 . 556 . . 70 ILE HD13 . 18419 1 600 . 1 1 70 70 ILE C C 13 175.142 0.001 . 1 . 547 . . 70 ILE C . 18419 1 601 . 1 1 70 70 ILE CA C 13 60.468 0.033 . 1 . 548 . . 70 ILE CA . 18419 1 602 . 1 1 70 70 ILE CB C 13 39.757 0.038 . 1 . 549 . . 70 ILE CB . 18419 1 603 . 1 1 70 70 ILE CG1 C 13 28.022 0.001 . 1 . 551 . . 70 ILE CG1 . 18419 1 604 . 1 1 70 70 ILE CG2 C 13 17.827 0.001 . 1 . 552 . . 70 ILE CG2 . 18419 1 605 . 1 1 70 70 ILE CD1 C 13 13.611 0.007 . 1 . 550 . . 70 ILE CD1 . 18419 1 606 . 1 1 70 70 ILE N N 15 125.451 0.007 . 1 . 560 . . 70 ILE N . 18419 1 607 . 1 1 71 71 VAL H H 1 9.410 0.002 . 1 . 566 . . 71 VAL H . 18419 1 608 . 1 1 71 71 VAL HA H 1 4.694 0.002 . 1 . 567 . . 71 VAL HA . 18419 1 609 . 1 1 71 71 VAL HB H 1 1.806 0.002 . 1 . 568 . . 71 VAL HB . 18419 1 610 . 1 1 71 71 VAL HG11 H 1 0.048 0.001 . 2 . 569 . . 71 VAL HG11 . 18419 1 611 . 1 1 71 71 VAL HG12 H 1 0.048 0.001 . 2 . 569 . . 71 VAL HG12 . 18419 1 612 . 1 1 71 71 VAL HG13 H 1 0.048 0.001 . 2 . 569 . . 71 VAL HG13 . 18419 1 613 . 1 1 71 71 VAL HG21 H 1 0.375 0.001 . 2 . 570 . . 71 VAL HG21 . 18419 1 614 . 1 1 71 71 VAL HG22 H 1 0.375 0.001 . 2 . 570 . . 71 VAL HG22 . 18419 1 615 . 1 1 71 71 VAL HG23 H 1 0.375 0.001 . 2 . 570 . . 71 VAL HG23 . 18419 1 616 . 1 1 71 71 VAL C C 13 174.854 0.001 . 1 . 561 . . 71 VAL C . 18419 1 617 . 1 1 71 71 VAL CA C 13 60.430 0.045 . 1 . 562 . . 71 VAL CA . 18419 1 618 . 1 1 71 71 VAL CB C 13 32.796 0.074 . 1 . 563 . . 71 VAL CB . 18419 1 619 . 1 1 71 71 VAL CG1 C 13 19.382 0.006 . 2 . 564 . . 71 VAL CG1 . 18419 1 620 . 1 1 71 71 VAL CG2 C 13 20.821 0.007 . 2 . 565 . . 71 VAL CG2 . 18419 1 621 . 1 1 71 71 VAL N N 15 131.698 0.006 . 1 . 571 . . 71 VAL N . 18419 1 622 . 1 1 72 72 THR H H 1 9.226 0.002 . 1 . 576 . . 72 THR H . 18419 1 623 . 1 1 72 72 THR HA H 1 4.866 0.002 . 1 . 577 . . 72 THR HA . 18419 1 624 . 1 1 72 72 THR HB H 1 3.884 0.002 . 1 . 578 . . 72 THR HB . 18419 1 625 . 1 1 72 72 THR HG21 H 1 0.969 0.001 . 1 . 579 . . 72 THR HG21 . 18419 1 626 . 1 1 72 72 THR HG22 H 1 0.969 0.001 . 1 . 579 . . 72 THR HG22 . 18419 1 627 . 1 1 72 72 THR HG23 H 1 0.969 0.001 . 1 . 579 . . 72 THR HG23 . 18419 1 628 . 1 1 72 72 THR C C 13 173.416 0.001 . 1 . 572 . . 72 THR C . 18419 1 629 . 1 1 72 72 THR CA C 13 62.213 0.028 . 1 . 573 . . 72 THR CA . 18419 1 630 . 1 1 72 72 THR CB C 13 70.065 0.038 . 1 . 574 . . 72 THR CB . 18419 1 631 . 1 1 72 72 THR CG2 C 13 21.516 0.001 . 1 . 575 . . 72 THR CG2 . 18419 1 632 . 1 1 72 72 THR N N 15 123.180 0.006 . 1 . 580 . . 72 THR N . 18419 1 633 . 1 1 73 73 LEU H H 1 9.148 0.003 . 1 . 587 . . 73 LEU H . 18419 1 634 . 1 1 73 73 LEU HA H 1 4.113 0.004 . 1 . 588 . . 73 LEU HA . 18419 1 635 . 1 1 73 73 LEU HB2 H 1 1.347 0.003 . 2 . 589 . . 73 LEU HB2 . 18419 1 636 . 1 1 73 73 LEU HB3 H 1 0.104 0.005 . 2 . 590 . . 73 LEU HB3 . 18419 1 637 . 1 1 73 73 LEU HG H 1 0.580 0.001 . 1 . 593 . . 73 LEU HG . 18419 1 638 . 1 1 73 73 LEU HD11 H 1 -0.345 0.001 . 2 . 591 . . 73 LEU HD11 . 18419 1 639 . 1 1 73 73 LEU HD12 H 1 -0.345 0.001 . 2 . 591 . . 73 LEU HD12 . 18419 1 640 . 1 1 73 73 LEU HD13 H 1 -0.345 0.001 . 2 . 591 . . 73 LEU HD13 . 18419 1 641 . 1 1 73 73 LEU HD21 H 1 0.061 0.001 . 2 . 592 . . 73 LEU HD21 . 18419 1 642 . 1 1 73 73 LEU HD22 H 1 0.061 0.001 . 2 . 592 . . 73 LEU HD22 . 18419 1 643 . 1 1 73 73 LEU HD23 H 1 0.061 0.001 . 2 . 592 . . 73 LEU HD23 . 18419 1 644 . 1 1 73 73 LEU C C 13 174.995 0.001 . 1 . 581 . . 73 LEU C . 18419 1 645 . 1 1 73 73 LEU CA C 13 53.236 0.033 . 1 . 582 . . 73 LEU CA . 18419 1 646 . 1 1 73 73 LEU CB C 13 39.782 0.047 . 1 . 583 . . 73 LEU CB . 18419 1 647 . 1 1 73 73 LEU CG C 13 27.142 0.075 . 1 . 586 . . 73 LEU CG . 18419 1 648 . 1 1 73 73 LEU CD1 C 13 23.610 0.003 . 2 . 584 . . 73 LEU CD1 . 18419 1 649 . 1 1 73 73 LEU CD2 C 13 24.635 0.029 . 2 . 585 . . 73 LEU CD2 . 18419 1 650 . 1 1 73 73 LEU N N 15 128.786 0.011 . 1 . 594 . . 73 LEU N . 18419 1 651 . 1 1 74 74 LYS H H 1 8.622 0.002 . 1 . 601 . . 74 LYS H . 18419 1 652 . 1 1 74 74 LYS HA H 1 4.102 0.003 . 1 . 602 . . 74 LYS HA . 18419 1 653 . 1 1 74 74 LYS HB2 H 1 1.663 0.004 . 2 . 603 . . 74 LYS HB2 . 18419 1 654 . 1 1 74 74 LYS HB3 H 1 1.741 0.013 . 2 . 604 . . 74 LYS HB3 . 18419 1 655 . 1 1 74 74 LYS HG2 H 1 1.468 0.001 . 2 . 609 . . 74 LYS HG2 . 18419 1 656 . 1 1 74 74 LYS HG3 H 1 1.331 0.001 . 2 . 610 . . 74 LYS HG3 . 18419 1 657 . 1 1 74 74 LYS HD2 H 1 1.614 0.001 . 2 . 605 . . 74 LYS HD2 . 18419 1 658 . 1 1 74 74 LYS HD3 H 1 1.616 0.001 . 2 . 606 . . 74 LYS HD3 . 18419 1 659 . 1 1 74 74 LYS HE2 H 1 2.915 0.001 . 2 . 607 . . 74 LYS HE2 . 18419 1 660 . 1 1 74 74 LYS HE3 H 1 2.908 0.001 . 2 . 608 . . 74 LYS HE3 . 18419 1 661 . 1 1 74 74 LYS C C 13 177.694 0.001 . 1 . 595 . . 74 LYS C . 18419 1 662 . 1 1 74 74 LYS CA C 13 56.288 0.033 . 1 . 596 . . 74 LYS CA . 18419 1 663 . 1 1 74 74 LYS CB C 13 31.746 0.041 . 1 . 597 . . 74 LYS CB . 18419 1 664 . 1 1 74 74 LYS CG C 13 24.956 0.009 . 1 . 600 . . 74 LYS CG . 18419 1 665 . 1 1 74 74 LYS CD C 13 28.522 0.001 . 1 . 598 . . 74 LYS CD . 18419 1 666 . 1 1 74 74 LYS CE C 13 41.640 0.001 . 1 . 599 . . 74 LYS CE . 18419 1 667 . 1 1 74 74 LYS N N 15 125.533 0.005 . 1 . 611 . . 74 LYS N . 18419 1 668 . 1 1 75 75 ASN H H 1 9.798 0.002 . 1 . 615 . . 75 ASN H . 18419 1 669 . 1 1 75 75 ASN HA H 1 4.442 0.001 . 1 . 616 . . 75 ASN HA . 18419 1 670 . 1 1 75 75 ASN HB2 H 1 2.888 0.001 . 2 . 617 . . 75 ASN HB2 . 18419 1 671 . 1 1 75 75 ASN HB3 H 1 3.028 0.001 . 2 . 618 . . 75 ASN HB3 . 18419 1 672 . 1 1 75 75 ASN C C 13 173.861 0.001 . 1 . 612 . . 75 ASN C . 18419 1 673 . 1 1 75 75 ASN CA C 13 54.831 0.002 . 1 . 613 . . 75 ASN CA . 18419 1 674 . 1 1 75 75 ASN CB C 13 36.848 0.017 . 1 . 614 . . 75 ASN CB . 18419 1 675 . 1 1 75 75 ASN N N 15 119.737 0.013 . 1 . 619 . . 75 ASN N . 18419 1 676 . 1 1 76 76 HIS H H 1 7.534 0.002 . 1 . 624 . . 76 HIS H . 18419 1 677 . 1 1 76 76 HIS HA H 1 4.681 0.001 . 1 . 625 . . 76 HIS HA . 18419 1 678 . 1 1 76 76 HIS HB2 H 1 2.465 0.001 . 2 . 626 . . 76 HIS HB2 . 18419 1 679 . 1 1 76 76 HIS HB3 H 1 2.816 0.001 . 2 . 627 . . 76 HIS HB3 . 18419 1 680 . 1 1 76 76 HIS HE1 H 1 7.487 0.001 . 1 . 628 . . 76 HIS HE1 . 18419 1 681 . 1 1 76 76 HIS C C 13 173.563 0.001 . 1 . 620 . . 76 HIS C . 18419 1 682 . 1 1 76 76 HIS CA C 13 55.904 0.002 . 1 . 621 . . 76 HIS CA . 18419 1 683 . 1 1 76 76 HIS CB C 13 32.790 0.001 . 1 . 622 . . 76 HIS CB . 18419 1 684 . 1 1 76 76 HIS CE1 C 13 138.526 0.001 . 1 . 623 . . 76 HIS CE1 . 18419 1 685 . 1 1 76 76 HIS N N 15 120.512 0.022 . 1 . 629 . . 76 HIS N . 18419 1 686 . 1 1 77 77 THR H H 1 7.894 0.002 . 1 . 634 . . 77 THR H . 18419 1 687 . 1 1 77 77 THR HA H 1 3.933 0.002 . 1 . 635 . . 77 THR HA . 18419 1 688 . 1 1 77 77 THR HB H 1 3.659 0.002 . 1 . 636 . . 77 THR HB . 18419 1 689 . 1 1 77 77 THR HG21 H 1 0.938 0.001 . 1 . 637 . . 77 THR HG21 . 18419 1 690 . 1 1 77 77 THR HG22 H 1 0.938 0.001 . 1 . 637 . . 77 THR HG22 . 18419 1 691 . 1 1 77 77 THR HG23 H 1 0.938 0.001 . 1 . 637 . . 77 THR HG23 . 18419 1 692 . 1 1 77 77 THR C C 13 173.183 0.001 . 1 . 630 . . 77 THR C . 18419 1 693 . 1 1 77 77 THR CA C 13 62.646 0.073 . 1 . 631 . . 77 THR CA . 18419 1 694 . 1 1 77 77 THR CB C 13 69.103 0.04 . 1 . 632 . . 77 THR CB . 18419 1 695 . 1 1 77 77 THR CG2 C 13 21.964 0.016 . 1 . 633 . . 77 THR CG2 . 18419 1 696 . 1 1 77 77 THR N N 15 123.514 0.007 . 1 . 638 . . 77 THR N . 18419 1 697 . 1 1 78 78 LEU H H 1 8.463 0.003 . 1 . 645 . . 78 LEU H . 18419 1 698 . 1 1 78 78 LEU HA H 1 4.619 0.004 . 1 . 646 . . 78 LEU HA . 18419 1 699 . 1 1 78 78 LEU HB2 H 1 1.584 0.006 . 2 . 647 . . 78 LEU HB2 . 18419 1 700 . 1 1 78 78 LEU HB3 H 1 1.806 0.006 . 2 . 648 . . 78 LEU HB3 . 18419 1 701 . 1 1 78 78 LEU HG H 1 1.525 0.002 . 1 . 651 . . 78 LEU HG . 18419 1 702 . 1 1 78 78 LEU HD11 H 1 0.527 0.001 . 2 . 649 . . 78 LEU HD11 . 18419 1 703 . 1 1 78 78 LEU HD12 H 1 0.527 0.001 . 2 . 649 . . 78 LEU HD12 . 18419 1 704 . 1 1 78 78 LEU HD13 H 1 0.527 0.001 . 2 . 649 . . 78 LEU HD13 . 18419 1 705 . 1 1 78 78 LEU HD21 H 1 0.825 0.002 . 2 . 650 . . 78 LEU HD21 . 18419 1 706 . 1 1 78 78 LEU HD22 H 1 0.825 0.002 . 2 . 650 . . 78 LEU HD22 . 18419 1 707 . 1 1 78 78 LEU HD23 H 1 0.825 0.002 . 2 . 650 . . 78 LEU HD23 . 18419 1 708 . 1 1 78 78 LEU C C 13 174.267 0.001 . 1 . 639 . . 78 LEU C . 18419 1 709 . 1 1 78 78 LEU CA C 13 51.090 0.029 . 1 . 640 . . 78 LEU CA . 18419 1 710 . 1 1 78 78 LEU CB C 13 43.531 0.016 . 1 . 641 . . 78 LEU CB . 18419 1 711 . 1 1 78 78 LEU CG C 13 25.574 0.021 . 1 . 644 . . 78 LEU CG . 18419 1 712 . 1 1 78 78 LEU CD1 C 13 27.013 0.012 . 2 . 642 . . 78 LEU CD1 . 18419 1 713 . 1 1 78 78 LEU CD2 C 13 25.198 0.026 . 2 . 643 . . 78 LEU CD2 . 18419 1 714 . 1 1 78 78 LEU N N 15 130.107 0.007 . 1 . 652 . . 78 LEU N . 18419 1 715 . 1 1 79 79 PRO HA H 1 4.410 0.002 . 1 . 658 . . 79 PRO HA . 18419 1 716 . 1 1 79 79 PRO HB2 H 1 2.351 0.003 . 2 . 659 . . 79 PRO HB2 . 18419 1 717 . 1 1 79 79 PRO HB3 H 1 1.709 0.006 . 2 . 660 . . 79 PRO HB3 . 18419 1 718 . 1 1 79 79 PRO HG2 H 1 1.890 0.001 . 2 . 663 . . 79 PRO HG2 . 18419 1 719 . 1 1 79 79 PRO HG3 H 1 1.972 0.001 . 2 . 664 . . 79 PRO HG3 . 18419 1 720 . 1 1 79 79 PRO HD2 H 1 3.821 0.003 . 2 . 661 . . 79 PRO HD2 . 18419 1 721 . 1 1 79 79 PRO HD3 H 1 3.503 0.002 . 2 . 662 . . 79 PRO HD3 . 18419 1 722 . 1 1 79 79 PRO C C 13 178.327 0.001 . 1 . 653 . . 79 PRO C . 18419 1 723 . 1 1 79 79 PRO CA C 13 62.720 0.003 . 1 . 654 . . 79 PRO CA . 18419 1 724 . 1 1 79 79 PRO CB C 13 32.141 0.003 . 1 . 655 . . 79 PRO CB . 18419 1 725 . 1 1 79 79 PRO CG C 13 27.674 0.068 . 1 . 657 . . 79 PRO CG . 18419 1 726 . 1 1 79 79 PRO CD C 13 51.337 0.05 . 1 . 656 . . 79 PRO CD . 18419 1 727 . 1 1 80 80 THR H H 1 8.761 0.003 . 1 . 669 . . 80 THR H . 18419 1 728 . 1 1 80 80 THR HA H 1 3.711 0.001 . 1 . 670 . . 80 THR HA . 18419 1 729 . 1 1 80 80 THR HB H 1 4.130 0.003 . 1 . 671 . . 80 THR HB . 18419 1 730 . 1 1 80 80 THR HG21 H 1 1.233 0.002 . 1 . 672 . . 80 THR HG21 . 18419 1 731 . 1 1 80 80 THR HG22 H 1 1.233 0.002 . 1 . 672 . . 80 THR HG22 . 18419 1 732 . 1 1 80 80 THR HG23 H 1 1.233 0.002 . 1 . 672 . . 80 THR HG23 . 18419 1 733 . 1 1 80 80 THR C C 13 177.086 0.001 . 1 . 665 . . 80 THR C . 18419 1 734 . 1 1 80 80 THR CA C 13 65.837 0.042 . 1 . 666 . . 80 THR CA . 18419 1 735 . 1 1 80 80 THR CB C 13 68.479 0.019 . 1 . 667 . . 80 THR CB . 18419 1 736 . 1 1 80 80 THR CG2 C 13 22.236 0.037 . 1 . 668 . . 80 THR CG2 . 18419 1 737 . 1 1 80 80 THR N N 15 117.436 0.013 . 1 . 673 . . 80 THR N . 18419 1 738 . 1 1 81 81 THR H H 1 7.488 0.003 . 1 . 678 . . 81 THR H . 18419 1 739 . 1 1 81 81 THR HA H 1 4.150 0.003 . 1 . 679 . . 81 THR HA . 18419 1 740 . 1 1 81 81 THR HB H 1 4.324 0.001 . 1 . 680 . . 81 THR HB . 18419 1 741 . 1 1 81 81 THR HG21 H 1 1.225 0.001 . 1 . 681 . . 81 THR HG21 . 18419 1 742 . 1 1 81 81 THR HG22 H 1 1.225 0.001 . 1 . 681 . . 81 THR HG22 . 18419 1 743 . 1 1 81 81 THR HG23 H 1 1.225 0.001 . 1 . 681 . . 81 THR HG23 . 18419 1 744 . 1 1 81 81 THR C C 13 175.285 0.001 . 1 . 674 . . 81 THR C . 18419 1 745 . 1 1 81 81 THR CA C 13 62.992 0.012 . 1 . 675 . . 81 THR CA . 18419 1 746 . 1 1 81 81 THR CB C 13 68.733 0.023 . 1 . 676 . . 81 THR CB . 18419 1 747 . 1 1 81 81 THR CG2 C 13 22.520 0.001 . 1 . 677 . . 81 THR CG2 . 18419 1 748 . 1 1 81 81 THR N N 15 108.984 0.035 . 1 . 682 . . 81 THR N . 18419 1 749 . 1 1 82 82 LEU H H 1 7.661 0.002 . 1 . 689 . . 82 LEU H . 18419 1 750 . 1 1 82 82 LEU HA H 1 4.486 0.001 . 1 . 690 . . 82 LEU HA . 18419 1 751 . 1 1 82 82 LEU HB2 H 1 1.588 0.007 . 2 . 691 . . 82 LEU HB2 . 18419 1 752 . 1 1 82 82 LEU HB3 H 1 1.675 0.012 . 2 . 692 . . 82 LEU HB3 . 18419 1 753 . 1 1 82 82 LEU HG H 1 1.576 0.004 . 1 . 695 . . 82 LEU HG . 18419 1 754 . 1 1 82 82 LEU HD11 H 1 0.883 0.003 . 2 . 693 . . 82 LEU HD11 . 18419 1 755 . 1 1 82 82 LEU HD12 H 1 0.883 0.003 . 2 . 693 . . 82 LEU HD12 . 18419 1 756 . 1 1 82 82 LEU HD13 H 1 0.883 0.003 . 2 . 693 . . 82 LEU HD13 . 18419 1 757 . 1 1 82 82 LEU HD21 H 1 0.991 0.001 . 2 . 694 . . 82 LEU HD21 . 18419 1 758 . 1 1 82 82 LEU HD22 H 1 0.991 0.001 . 2 . 694 . . 82 LEU HD22 . 18419 1 759 . 1 1 82 82 LEU HD23 H 1 0.991 0.001 . 2 . 694 . . 82 LEU HD23 . 18419 1 760 . 1 1 82 82 LEU C C 13 176.627 0.001 . 1 . 683 . . 82 LEU C . 18419 1 761 . 1 1 82 82 LEU CA C 13 54.384 0.055 . 1 . 684 . . 82 LEU CA . 18419 1 762 . 1 1 82 82 LEU CB C 13 41.756 0.046 . 1 . 685 . . 82 LEU CB . 18419 1 763 . 1 1 82 82 LEU CG C 13 27.525 0.001 . 1 . 688 . . 82 LEU CG . 18419 1 764 . 1 1 82 82 LEU CD1 C 13 22.886 0.009 . 2 . 686 . . 82 LEU CD1 . 18419 1 765 . 1 1 82 82 LEU CD2 C 13 25.717 0.02 . 2 . 687 . . 82 LEU CD2 . 18419 1 766 . 1 1 82 82 LEU N N 15 119.928 0.014 . 1 . 696 . . 82 LEU N . 18419 1 767 . 1 1 83 83 GLN H H 1 7.045 0.002 . 1 . 701 . . 83 GLN H . 18419 1 768 . 1 1 83 83 GLN HA H 1 3.996 0.012 . 1 . 702 . . 83 GLN HA . 18419 1 769 . 1 1 83 83 GLN HB2 H 1 2.062 0.006 . 2 . 703 . . 83 GLN HB2 . 18419 1 770 . 1 1 83 83 GLN HB3 H 1 2.347 0.005 . 2 . 704 . . 83 GLN HB3 . 18419 1 771 . 1 1 83 83 GLN HG2 H 1 2.720 0.011 . 2 . 705 . . 83 GLN HG2 . 18419 1 772 . 1 1 83 83 GLN HG3 H 1 2.059 0.001 . 2 . 706 . . 83 GLN HG3 . 18419 1 773 . 1 1 83 83 GLN C C 13 175.815 0.001 . 1 . 697 . . 83 GLN C . 18419 1 774 . 1 1 83 83 GLN CA C 13 57.559 0.03 . 1 . 698 . . 83 GLN CA . 18419 1 775 . 1 1 83 83 GLN CB C 13 30.398 0.042 . 1 . 699 . . 83 GLN CB . 18419 1 776 . 1 1 83 83 GLN CG C 13 36.862 0.057 . 1 . 700 . . 83 GLN CG . 18419 1 777 . 1 1 83 83 GLN N N 15 117.168 0.014 . 1 . 707 . . 83 GLN N . 18419 1 778 . 1 1 84 84 ARG H H 1 8.279 0.003 . 1 . 713 . . 84 ARG H . 18419 1 779 . 1 1 84 84 ARG HA H 1 4.713 0.01 . 1 . 714 . . 84 ARG HA . 18419 1 780 . 1 1 84 84 ARG HB2 H 1 1.658 0.005 . 2 . 715 . . 84 ARG HB2 . 18419 1 781 . 1 1 84 84 ARG HB3 H 1 1.737 0.007 . 2 . 716 . . 84 ARG HB3 . 18419 1 782 . 1 1 84 84 ARG HG2 H 1 1.562 0.005 . 2 . 719 . . 84 ARG HG2 . 18419 1 783 . 1 1 84 84 ARG HG3 H 1 1.513 0.011 . 2 . 720 . . 84 ARG HG3 . 18419 1 784 . 1 1 84 84 ARG HD2 H 1 3.192 0.001 . 2 . 717 . . 84 ARG HD2 . 18419 1 785 . 1 1 84 84 ARG HD3 H 1 3.183 0.001 . 2 . 718 . . 84 ARG HD3 . 18419 1 786 . 1 1 84 84 ARG C C 13 174.265 0.001 . 1 . 708 . . 84 ARG C . 18419 1 787 . 1 1 84 84 ARG CA C 13 55.086 0.049 . 1 . 709 . . 84 ARG CA . 18419 1 788 . 1 1 84 84 ARG CB C 13 34.561 0.054 . 1 . 710 . . 84 ARG CB . 18419 1 789 . 1 1 84 84 ARG CG C 13 26.179 0.001 . 1 . 712 . . 84 ARG CG . 18419 1 790 . 1 1 84 84 ARG CD C 13 43.440 0.001 . 1 . 711 . . 84 ARG CD . 18419 1 791 . 1 1 84 84 ARG N N 15 120.275 0.024 . 1 . 721 . . 84 ARG N . 18419 1 792 . 1 1 85 85 SER H H 1 8.580 0.003 . 1 . 725 . . 85 SER H . 18419 1 793 . 1 1 85 85 SER HA H 1 5.198 0.002 . 1 . 726 . . 85 SER HA . 18419 1 794 . 1 1 85 85 SER HB2 H 1 3.601 0.003 . 2 . 727 . . 85 SER HB2 . 18419 1 795 . 1 1 85 85 SER HB3 H 1 3.599 0.001 . 2 . 728 . . 85 SER HB3 . 18419 1 796 . 1 1 85 85 SER C C 13 172.901 0.001 . 1 . 722 . . 85 SER C . 18419 1 797 . 1 1 85 85 SER CA C 13 57.336 0.071 . 1 . 723 . . 85 SER CA . 18419 1 798 . 1 1 85 85 SER CB C 13 64.960 0.025 . 1 . 724 . . 85 SER CB . 18419 1 799 . 1 1 85 85 SER N N 15 116.691 0.011 . 1 . 729 . . 85 SER N . 18419 1 800 . 1 1 86 86 LEU H H 1 9.315 0.004 . 1 . 736 . . 86 LEU H . 18419 1 801 . 1 1 86 86 LEU HA H 1 4.592 0.005 . 1 . 737 . . 86 LEU HA . 18419 1 802 . 1 1 86 86 LEU HB2 H 1 1.277 0.004 . 2 . 738 . . 86 LEU HB2 . 18419 1 803 . 1 1 86 86 LEU HB3 H 1 1.391 0.003 . 2 . 739 . . 86 LEU HB3 . 18419 1 804 . 1 1 86 86 LEU HG H 1 1.399 0.001 . 1 . 742 . . 86 LEU HG . 18419 1 805 . 1 1 86 86 LEU HD11 H 1 0.755 0.002 . 2 . 740 . . 86 LEU HD11 . 18419 1 806 . 1 1 86 86 LEU HD12 H 1 0.755 0.002 . 2 . 740 . . 86 LEU HD12 . 18419 1 807 . 1 1 86 86 LEU HD13 H 1 0.755 0.002 . 2 . 740 . . 86 LEU HD13 . 18419 1 808 . 1 1 86 86 LEU HD21 H 1 0.690 0.001 . 2 . 741 . . 86 LEU HD21 . 18419 1 809 . 1 1 86 86 LEU HD22 H 1 0.690 0.001 . 2 . 741 . . 86 LEU HD22 . 18419 1 810 . 1 1 86 86 LEU HD23 H 1 0.690 0.001 . 2 . 741 . . 86 LEU HD23 . 18419 1 811 . 1 1 86 86 LEU C C 13 174.928 0.001 . 1 . 730 . . 86 LEU C . 18419 1 812 . 1 1 86 86 LEU CA C 13 53.739 0.037 . 1 . 731 . . 86 LEU CA . 18419 1 813 . 1 1 86 86 LEU CB C 13 44.552 0.033 . 1 . 732 . . 86 LEU CB . 18419 1 814 . 1 1 86 86 LEU CG C 13 27.036 0.001 . 1 . 735 . . 86 LEU CG . 18419 1 815 . 1 1 86 86 LEU CD1 C 13 23.514 0.034 . 2 . 733 . . 86 LEU CD1 . 18419 1 816 . 1 1 86 86 LEU CD2 C 13 24.658 0.035 . 2 . 734 . . 86 LEU CD2 . 18419 1 817 . 1 1 86 86 LEU N N 15 125.776 0.018 . 1 . 743 . . 86 LEU N . 18419 1 818 . 1 1 87 87 ASP H H 1 8.703 0.002 . 1 . 747 . . 87 ASP H . 18419 1 819 . 1 1 87 87 ASP HA H 1 4.714 0.003 . 1 . 748 . . 87 ASP HA . 18419 1 820 . 1 1 87 87 ASP HB2 H 1 2.413 0.002 . 2 . 749 . . 87 ASP HB2 . 18419 1 821 . 1 1 87 87 ASP HB3 H 1 2.842 0.003 . 2 . 750 . . 87 ASP HB3 . 18419 1 822 . 1 1 87 87 ASP C C 13 176.735 0.001 . 1 . 744 . . 87 ASP C . 18419 1 823 . 1 1 87 87 ASP CA C 13 53.933 0.064 . 1 . 745 . . 87 ASP CA . 18419 1 824 . 1 1 87 87 ASP CB C 13 40.981 0.003 . 1 . 746 . . 87 ASP CB . 18419 1 825 . 1 1 87 87 ASP N N 15 125.346 0.01 . 1 . 751 . . 87 ASP N . 18419 1 826 . 1 1 88 88 VAL H H 1 7.362 0.003 . 1 . 757 . . 88 VAL H . 18419 1 827 . 1 1 88 88 VAL HA H 1 4.657 0.007 . 1 . 758 . . 88 VAL HA . 18419 1 828 . 1 1 88 88 VAL HB H 1 1.628 0.001 . 1 . 759 . . 88 VAL HB . 18419 1 829 . 1 1 88 88 VAL HG11 H 1 -0.580 0.001 . 2 . 760 . . 88 VAL HG11 . 18419 1 830 . 1 1 88 88 VAL HG12 H 1 -0.580 0.001 . 2 . 760 . . 88 VAL HG12 . 18419 1 831 . 1 1 88 88 VAL HG13 H 1 -0.580 0.001 . 2 . 760 . . 88 VAL HG13 . 18419 1 832 . 1 1 88 88 VAL HG21 H 1 0.070 0.001 . 2 . 761 . . 88 VAL HG21 . 18419 1 833 . 1 1 88 88 VAL HG22 H 1 0.070 0.001 . 2 . 761 . . 88 VAL HG22 . 18419 1 834 . 1 1 88 88 VAL HG23 H 1 0.070 0.001 . 2 . 761 . . 88 VAL HG23 . 18419 1 835 . 1 1 88 88 VAL C C 13 177.352 0.001 . 1 . 752 . . 88 VAL C . 18419 1 836 . 1 1 88 88 VAL CA C 13 59.325 0.023 . 1 . 753 . . 88 VAL CA . 18419 1 837 . 1 1 88 88 VAL CB C 13 31.475 0.034 . 1 . 754 . . 88 VAL CB . 18419 1 838 . 1 1 88 88 VAL CG1 C 13 18.215 0.003 . 2 . 755 . . 88 VAL CG1 . 18419 1 839 . 1 1 88 88 VAL CG2 C 13 21.200 0.002 . 2 . 756 . . 88 VAL CG2 . 18419 1 840 . 1 1 88 88 VAL N N 15 114.464 0.013 . 1 . 762 . . 88 VAL N . 18419 1 841 . 1 1 89 89 ALA H H 1 8.091 0.002 . 1 . 766 . . 89 ALA H . 18419 1 842 . 1 1 89 89 ALA HA H 1 4.097 0.001 . 1 . 767 . . 89 ALA HA . 18419 1 843 . 1 1 89 89 ALA HB1 H 1 1.446 0.001 . 1 . 768 . . 89 ALA HB1 . 18419 1 844 . 1 1 89 89 ALA HB2 H 1 1.446 0.001 . 1 . 768 . . 89 ALA HB2 . 18419 1 845 . 1 1 89 89 ALA HB3 H 1 1.446 0.001 . 1 . 768 . . 89 ALA HB3 . 18419 1 846 . 1 1 89 89 ALA C C 13 180.040 0.001 . 1 . 763 . . 89 ALA C . 18419 1 847 . 1 1 89 89 ALA CA C 13 55.875 0.006 . 1 . 764 . . 89 ALA CA . 18419 1 848 . 1 1 89 89 ALA CB C 13 19.034 0.02 . 1 . 765 . . 89 ALA CB . 18419 1 849 . 1 1 89 89 ALA N N 15 130.214 0.006 . 1 . 769 . . 89 ALA N . 18419 1 850 . 1 1 90 90 ASP H H 1 8.974 0.002 . 1 . 773 . . 90 ASP H . 18419 1 851 . 1 1 90 90 ASP HA H 1 4.343 0.001 . 1 . 774 . . 90 ASP HA . 18419 1 852 . 1 1 90 90 ASP HB2 H 1 2.452 0.001 . 2 . 775 . . 90 ASP HB2 . 18419 1 853 . 1 1 90 90 ASP HB3 H 1 2.440 0.001 . 2 . 776 . . 90 ASP HB3 . 18419 1 854 . 1 1 90 90 ASP C C 13 175.071 0.001 . 1 . 770 . . 90 ASP C . 18419 1 855 . 1 1 90 90 ASP CA C 13 56.023 0.034 . 1 . 771 . . 90 ASP CA . 18419 1 856 . 1 1 90 90 ASP CB C 13 39.504 0.034 . 1 . 772 . . 90 ASP CB . 18419 1 857 . 1 1 90 90 ASP N N 15 116.551 0.004 . 1 . 777 . . 90 ASP N . 18419 1 858 . 1 1 91 91 PHE H H 1 7.934 0.002 . 1 . 785 . . 91 PHE H . 18419 1 859 . 1 1 91 91 PHE HA H 1 4.396 0.001 . 1 . 786 . . 91 PHE HA . 18419 1 860 . 1 1 91 91 PHE HB2 H 1 3.155 0.001 . 2 . 787 . . 91 PHE HB2 . 18419 1 861 . 1 1 91 91 PHE HB3 H 1 3.265 0.001 . 2 . 788 . . 91 PHE HB3 . 18419 1 862 . 1 1 91 91 PHE HD1 H 1 7.345 0.001 . 3 . 789 . . 91 PHE HD1 . 18419 1 863 . 1 1 91 91 PHE HD2 H 1 7.345 0.001 . 3 . 790 . . 91 PHE HD2 . 18419 1 864 . 1 1 91 91 PHE HE1 H 1 7.473 0.001 . 3 . 791 . . 91 PHE HE1 . 18419 1 865 . 1 1 91 91 PHE HE2 H 1 7.473 0.001 . 3 . 792 . . 91 PHE HE2 . 18419 1 866 . 1 1 91 91 PHE C C 13 175.522 0.001 . 1 . 778 . . 91 PHE C . 18419 1 867 . 1 1 91 91 PHE CA C 13 60.195 0.009 . 1 . 779 . . 91 PHE CA . 18419 1 868 . 1 1 91 91 PHE CB C 13 39.041 0.08 . 1 . 780 . . 91 PHE CB . 18419 1 869 . 1 1 91 91 PHE CD1 C 13 131.700 0.001 . 3 . 781 . . 91 PHE CD1 . 18419 1 870 . 1 1 91 91 PHE CD2 C 13 131.750 0.001 . 3 . 782 . . 91 PHE CD2 . 18419 1 871 . 1 1 91 91 PHE CE1 C 13 131.929 0.001 . 3 . 783 . . 91 PHE CE1 . 18419 1 872 . 1 1 91 91 PHE CE2 C 13 131.929 0.001 . 3 . 784 . . 91 PHE CE2 . 18419 1 873 . 1 1 91 91 PHE N N 15 116.640 0.008 . 1 . 793 . . 91 PHE N . 18419 1 874 . 1 1 92 92 LYS H H 1 8.187 0.002 . 1 . 800 . . 92 LYS H . 18419 1 875 . 1 1 92 92 LYS HA H 1 4.038 0.004 . 1 . 801 . . 92 LYS HA . 18419 1 876 . 1 1 92 92 LYS HB2 H 1 1.918 0.002 . 2 . 802 . . 92 LYS HB2 . 18419 1 877 . 1 1 92 92 LYS HB3 H 1 2.090 0.003 . 2 . 803 . . 92 LYS HB3 . 18419 1 878 . 1 1 92 92 LYS HG2 H 1 1.282 0.011 . 2 . 808 . . 92 LYS HG2 . 18419 1 879 . 1 1 92 92 LYS HG3 H 1 1.360 0.005 . 2 . 809 . . 92 LYS HG3 . 18419 1 880 . 1 1 92 92 LYS HD2 H 1 1.654 0.001 . 2 . 804 . . 92 LYS HD2 . 18419 1 881 . 1 1 92 92 LYS HD3 H 1 1.542 0.014 . 2 . 805 . . 92 LYS HD3 . 18419 1 882 . 1 1 92 92 LYS HE2 H 1 2.936 0.001 . 2 . 806 . . 92 LYS HE2 . 18419 1 883 . 1 1 92 92 LYS HE3 H 1 2.927 0.001 . 2 . 807 . . 92 LYS HE3 . 18419 1 884 . 1 1 92 92 LYS C C 13 175.521 0.001 . 1 . 794 . . 92 LYS C . 18419 1 885 . 1 1 92 92 LYS CA C 13 57.538 0.018 . 1 . 795 . . 92 LYS CA . 18419 1 886 . 1 1 92 92 LYS CB C 13 28.188 0.025 . 1 . 796 . . 92 LYS CB . 18419 1 887 . 1 1 92 92 LYS CG C 13 24.374 0.009 . 1 . 799 . . 92 LYS CG . 18419 1 888 . 1 1 92 92 LYS CD C 13 28.537 0.025 . 1 . 797 . . 92 LYS CD . 18419 1 889 . 1 1 92 92 LYS CE C 13 42.233 0.001 . 1 . 798 . . 92 LYS CE . 18419 1 890 . 1 1 92 92 LYS N N 15 111.504 0.006 . 1 . 810 . . 92 LYS N . 18419 1 891 . 1 1 93 93 THR H H 1 8.550 0.002 . 1 . 815 . . 93 THR H . 18419 1 892 . 1 1 93 93 THR HA H 1 5.262 0.002 . 1 . 816 . . 93 THR HA . 18419 1 893 . 1 1 93 93 THR HB H 1 4.700 0.001 . 1 . 817 . . 93 THR HB . 18419 1 894 . 1 1 93 93 THR HG21 H 1 1.001 0.002 . 1 . 818 . . 93 THR HG21 . 18419 1 895 . 1 1 93 93 THR HG22 H 1 1.001 0.002 . 1 . 818 . . 93 THR HG22 . 18419 1 896 . 1 1 93 93 THR HG23 H 1 1.001 0.002 . 1 . 818 . . 93 THR HG23 . 18419 1 897 . 1 1 93 93 THR C C 13 173.571 0.001 . 1 . 811 . . 93 THR C . 18419 1 898 . 1 1 93 93 THR CA C 13 60.408 0.018 . 1 . 812 . . 93 THR CA . 18419 1 899 . 1 1 93 93 THR CB C 13 70.007 0.001 . 1 . 813 . . 93 THR CB . 18419 1 900 . 1 1 93 93 THR CG2 C 13 22.966 0.001 . 1 . 814 . . 93 THR CG2 . 18419 1 901 . 1 1 93 93 THR N N 15 112.328 0.014 . 1 . 819 . . 93 THR N . 18419 1 902 . 1 1 94 94 PRO HA H 1 4.402 0.01 . 1 . 825 . . 94 PRO HA . 18419 1 903 . 1 1 94 94 PRO HB2 H 1 1.301 0.001 . 2 . 826 . . 94 PRO HB2 . 18419 1 904 . 1 1 94 94 PRO HB3 H 1 2.603 0.004 . 2 . 827 . . 94 PRO HB3 . 18419 1 905 . 1 1 94 94 PRO HG2 H 1 2.146 0.008 . 2 . 830 . . 94 PRO HG2 . 18419 1 906 . 1 1 94 94 PRO HG3 H 1 1.737 0.011 . 2 . 831 . . 94 PRO HG3 . 18419 1 907 . 1 1 94 94 PRO HD2 H 1 3.599 0.009 . 2 . 828 . . 94 PRO HD2 . 18419 1 908 . 1 1 94 94 PRO HD3 H 1 3.584 0.001 . 2 . 829 . . 94 PRO HD3 . 18419 1 909 . 1 1 94 94 PRO C C 13 178.044 0.001 . 1 . 820 . . 94 PRO C . 18419 1 910 . 1 1 94 94 PRO CA C 13 64.739 0.049 . 1 . 821 . . 94 PRO CA . 18419 1 911 . 1 1 94 94 PRO CB C 13 32.707 0.053 . 1 . 822 . . 94 PRO CB . 18419 1 912 . 1 1 94 94 PRO CG C 13 28.456 0.07 . 1 . 824 . . 94 PRO CG . 18419 1 913 . 1 1 94 94 PRO CD C 13 50.861 0.009 . 1 . 823 . . 94 PRO CD . 18419 1 914 . 1 1 95 95 VAL H H 1 7.679 0.002 . 1 . 837 . . 95 VAL H . 18419 1 915 . 1 1 95 95 VAL HA H 1 3.450 0.001 . 1 . 838 . . 95 VAL HA . 18419 1 916 . 1 1 95 95 VAL HB H 1 1.598 0.001 . 1 . 839 . . 95 VAL HB . 18419 1 917 . 1 1 95 95 VAL HG11 H 1 0.415 0.001 . 2 . 840 . . 95 VAL HG11 . 18419 1 918 . 1 1 95 95 VAL HG12 H 1 0.415 0.001 . 2 . 840 . . 95 VAL HG12 . 18419 1 919 . 1 1 95 95 VAL HG13 H 1 0.415 0.001 . 2 . 840 . . 95 VAL HG13 . 18419 1 920 . 1 1 95 95 VAL HG21 H 1 0.703 0.001 . 2 . 841 . . 95 VAL HG21 . 18419 1 921 . 1 1 95 95 VAL HG22 H 1 0.703 0.001 . 2 . 841 . . 95 VAL HG22 . 18419 1 922 . 1 1 95 95 VAL HG23 H 1 0.703 0.001 . 2 . 841 . . 95 VAL HG23 . 18419 1 923 . 1 1 95 95 VAL C C 13 174.274 0.001 . 1 . 832 . . 95 VAL C . 18419 1 924 . 1 1 95 95 VAL CA C 13 63.164 0.019 . 1 . 833 . . 95 VAL CA . 18419 1 925 . 1 1 95 95 VAL CB C 13 31.310 0.057 . 1 . 834 . . 95 VAL CB . 18419 1 926 . 1 1 95 95 VAL CG1 C 13 22.749 0.001 . 2 . 835 . . 95 VAL CG1 . 18419 1 927 . 1 1 95 95 VAL CG2 C 13 22.463 0.008 . 2 . 836 . . 95 VAL CG2 . 18419 1 928 . 1 1 95 95 VAL N N 15 113.805 0.014 . 1 . 842 . . 95 VAL N . 18419 1 929 . 1 1 96 96 GLN H H 1 9.047 0.004 . 1 . 847 . . 96 GLN H . 18419 1 930 . 1 1 96 96 GLN HA H 1 4.071 0.004 . 1 . 848 . . 96 GLN HA . 18419 1 931 . 1 1 96 96 GLN HB2 H 1 1.684 0.003 . 2 . 849 . . 96 GLN HB2 . 18419 1 932 . 1 1 96 96 GLN HB3 H 1 2.028 0.002 . 2 . 850 . . 96 GLN HB3 . 18419 1 933 . 1 1 96 96 GLN HG2 H 1 2.066 0.006 . 2 . 851 . . 96 GLN HG2 . 18419 1 934 . 1 1 96 96 GLN HG3 H 1 1.937 0.004 . 2 . 852 . . 96 GLN HG3 . 18419 1 935 . 1 1 96 96 GLN C C 13 174.936 0.001 . 1 . 843 . . 96 GLN C . 18419 1 936 . 1 1 96 96 GLN CA C 13 55.460 0.04 . 1 . 844 . . 96 GLN CA . 18419 1 937 . 1 1 96 96 GLN CB C 13 29.876 0.04 . 1 . 845 . . 96 GLN CB . 18419 1 938 . 1 1 96 96 GLN CG C 13 33.706 0.046 . 1 . 846 . . 96 GLN CG . 18419 1 939 . 1 1 96 96 GLN N N 15 124.788 0.011 . 1 . 853 . . 96 GLN N . 18419 1 940 . 1 1 97 97 LYS H H 1 7.333 0.002 . 1 . 860 . . 97 LYS H . 18419 1 941 . 1 1 97 97 LYS HA H 1 4.946 0.001 . 1 . 861 . . 97 LYS HA . 18419 1 942 . 1 1 97 97 LYS HB2 H 1 1.557 0.004 . 2 . 862 . . 97 LYS HB2 . 18419 1 943 . 1 1 97 97 LYS HB3 H 1 1.554 0.001 . 2 . 863 . . 97 LYS HB3 . 18419 1 944 . 1 1 97 97 LYS HG2 H 1 1.185 0.005 . 2 . 868 . . 97 LYS HG2 . 18419 1 945 . 1 1 97 97 LYS HG3 H 1 1.191 0.001 . 2 . 869 . . 97 LYS HG3 . 18419 1 946 . 1 1 97 97 LYS HD2 H 1 1.419 0.001 . 2 . 864 . . 97 LYS HD2 . 18419 1 947 . 1 1 97 97 LYS HD3 H 1 1.396 0.001 . 2 . 865 . . 97 LYS HD3 . 18419 1 948 . 1 1 97 97 LYS HE2 H 1 2.735 0.001 . 2 . 866 . . 97 LYS HE2 . 18419 1 949 . 1 1 97 97 LYS HE3 H 1 2.742 0.001 . 2 . 867 . . 97 LYS HE3 . 18419 1 950 . 1 1 97 97 LYS C C 13 173.814 0.001 . 1 . 854 . . 97 LYS C . 18419 1 951 . 1 1 97 97 LYS CA C 13 54.909 0.048 . 1 . 855 . . 97 LYS CA . 18419 1 952 . 1 1 97 97 LYS CB C 13 36.669 0.028 . 1 . 856 . . 97 LYS CB . 18419 1 953 . 1 1 97 97 LYS CG C 13 24.967 0.001 . 1 . 859 . . 97 LYS CG . 18419 1 954 . 1 1 97 97 LYS CD C 13 29.436 0.001 . 1 . 857 . . 97 LYS CD . 18419 1 955 . 1 1 97 97 LYS CE C 13 41.913 0.001 . 1 . 858 . . 97 LYS CE . 18419 1 956 . 1 1 97 97 LYS N N 15 118.723 0.008 . 1 . 870 . . 97 LYS N . 18419 1 957 . 1 1 98 98 VAL H H 1 8.470 0.002 . 1 . 876 . . 98 VAL H . 18419 1 958 . 1 1 98 98 VAL HA H 1 4.685 0.005 . 1 . 877 . . 98 VAL HA . 18419 1 959 . 1 1 98 98 VAL HB H 1 1.738 0.002 . 1 . 878 . . 98 VAL HB . 18419 1 960 . 1 1 98 98 VAL HG11 H 1 0.617 0.001 . 2 . 879 . . 98 VAL HG11 . 18419 1 961 . 1 1 98 98 VAL HG12 H 1 0.617 0.001 . 2 . 879 . . 98 VAL HG12 . 18419 1 962 . 1 1 98 98 VAL HG13 H 1 0.617 0.001 . 2 . 879 . . 98 VAL HG13 . 18419 1 963 . 1 1 98 98 VAL HG21 H 1 0.718 0.001 . 2 . 880 . . 98 VAL HG21 . 18419 1 964 . 1 1 98 98 VAL HG22 H 1 0.718 0.001 . 2 . 880 . . 98 VAL HG22 . 18419 1 965 . 1 1 98 98 VAL HG23 H 1 0.718 0.001 . 2 . 880 . . 98 VAL HG23 . 18419 1 966 . 1 1 98 98 VAL C C 13 174.450 0.001 . 1 . 871 . . 98 VAL C . 18419 1 967 . 1 1 98 98 VAL CA C 13 60.869 0.034 . 1 . 872 . . 98 VAL CA . 18419 1 968 . 1 1 98 98 VAL CB C 13 34.758 0.042 . 1 . 873 . . 98 VAL CB . 18419 1 969 . 1 1 98 98 VAL CG1 C 13 21.741 0.009 . 2 . 874 . . 98 VAL CG1 . 18419 1 970 . 1 1 98 98 VAL CG2 C 13 23.204 0.012 . 2 . 875 . . 98 VAL CG2 . 18419 1 971 . 1 1 98 98 VAL N N 15 121.923 0.008 . 1 . 881 . . 98 VAL N . 18419 1 972 . 1 1 99 99 THR H H 1 9.005 0.003 . 1 . 886 . . 99 THR H . 18419 1 973 . 1 1 99 99 THR HA H 1 4.927 0.005 . 1 . 887 . . 99 THR HA . 18419 1 974 . 1 1 99 99 THR HB H 1 3.828 0.003 . 1 . 888 . . 99 THR HB . 18419 1 975 . 1 1 99 99 THR HG21 H 1 1.061 0.001 . 1 . 889 . . 99 THR HG21 . 18419 1 976 . 1 1 99 99 THR HG22 H 1 1.061 0.001 . 1 . 889 . . 99 THR HG22 . 18419 1 977 . 1 1 99 99 THR HG23 H 1 1.061 0.001 . 1 . 889 . . 99 THR HG23 . 18419 1 978 . 1 1 99 99 THR C C 13 171.657 0.001 . 1 . 882 . . 99 THR C . 18419 1 979 . 1 1 99 99 THR CA C 13 61.483 0.051 . 1 . 883 . . 99 THR CA . 18419 1 980 . 1 1 99 99 THR CB C 13 71.800 0.047 . 1 . 884 . . 99 THR CB . 18419 1 981 . 1 1 99 99 THR CG2 C 13 21.697 0.062 . 1 . 885 . . 99 THR CG2 . 18419 1 982 . 1 1 99 99 THR N N 15 122.218 0.013 . 1 . 890 . . 99 THR N . 18419 1 983 . 1 1 100 100 LEU H H 1 9.044 0.002 . 1 . 897 . . 100 LEU H . 18419 1 984 . 1 1 100 100 LEU HA H 1 5.111 0.005 . 1 . 898 . . 100 LEU HA . 18419 1 985 . 1 1 100 100 LEU HB2 H 1 1.853 0.005 . 2 . 899 . . 100 LEU HB2 . 18419 1 986 . 1 1 100 100 LEU HB3 H 1 1.102 0.009 . 2 . 900 . . 100 LEU HB3 . 18419 1 987 . 1 1 100 100 LEU HG H 1 1.332 0.002 . 1 . 903 . . 100 LEU HG . 18419 1 988 . 1 1 100 100 LEU HD11 H 1 0.638 0.003 . 2 . 901 . . 100 LEU HD11 . 18419 1 989 . 1 1 100 100 LEU HD12 H 1 0.638 0.003 . 2 . 901 . . 100 LEU HD12 . 18419 1 990 . 1 1 100 100 LEU HD13 H 1 0.638 0.003 . 2 . 901 . . 100 LEU HD13 . 18419 1 991 . 1 1 100 100 LEU HD21 H 1 0.739 0.001 . 2 . 902 . . 100 LEU HD21 . 18419 1 992 . 1 1 100 100 LEU HD22 H 1 0.739 0.001 . 2 . 902 . . 100 LEU HD22 . 18419 1 993 . 1 1 100 100 LEU HD23 H 1 0.739 0.001 . 2 . 902 . . 100 LEU HD23 . 18419 1 994 . 1 1 100 100 LEU C C 13 174.754 0.001 . 1 . 891 . . 100 LEU C . 18419 1 995 . 1 1 100 100 LEU CA C 13 53.591 0.015 . 1 . 892 . . 100 LEU CA . 18419 1 996 . 1 1 100 100 LEU CB C 13 45.478 0.048 . 1 . 893 . . 100 LEU CB . 18419 1 997 . 1 1 100 100 LEU CG C 13 27.014 0.001 . 1 . 896 . . 100 LEU CG . 18419 1 998 . 1 1 100 100 LEU CD1 C 13 24.021 0.029 . 2 . 894 . . 100 LEU CD1 . 18419 1 999 . 1 1 100 100 LEU CD2 C 13 25.974 0.029 . 2 . 895 . . 100 LEU CD2 . 18419 1 1000 . 1 1 100 100 LEU N N 15 129.073 0.013 . 1 . 904 . . 100 LEU N . 18419 1 1001 . 1 1 101 101 LYS H H 1 9.429 0.001 . 1 . 910 . . 101 LYS H . 18419 1 1002 . 1 1 101 101 LYS HA H 1 4.782 0.001 . 1 . 911 . . 101 LYS HA . 18419 1 1003 . 1 1 101 101 LYS HB2 H 1 1.599 0.001 . 1 . 912 . . 101 LYS HB2 . 18419 1 1004 . 1 1 101 101 LYS HB3 H 1 1.599 0.001 . 1 . 913 . . 101 LYS HB3 . 18419 1 1005 . 1 1 101 101 LYS HG2 H 1 1.241 0.001 . 2 . 916 . . 101 LYS HG2 . 18419 1 1006 . 1 1 101 101 LYS HG3 H 1 1.235 0.001 . 2 . 917 . . 101 LYS HG3 . 18419 1 1007 . 1 1 101 101 LYS HE2 H 1 2.813 0.001 . 2 . 914 . . 101 LYS HE2 . 18419 1 1008 . 1 1 101 101 LYS HE3 H 1 2.800 0.001 . 2 . 915 . . 101 LYS HE3 . 18419 1 1009 . 1 1 101 101 LYS C C 13 173.602 0.001 . 1 . 905 . . 101 LYS C . 18419 1 1010 . 1 1 101 101 LYS CA C 13 54.661 0.001 . 1 . 906 . . 101 LYS CA . 18419 1 1011 . 1 1 101 101 LYS CB C 13 37.090 0.019 . 1 . 907 . . 101 LYS CB . 18419 1 1012 . 1 1 101 101 LYS CG C 13 24.311 0.001 . 1 . 909 . . 101 LYS CG . 18419 1 1013 . 1 1 101 101 LYS CE C 13 41.911 0.001 . 1 . 908 . . 101 LYS CE . 18419 1 1014 . 1 1 101 101 LYS N N 15 125.660 0.016 . 1 . 918 . . 101 LYS N . 18419 1 1015 . 1 1 102 102 ARG H H 1 8.463 0.002 . 1 . 924 . . 102 ARG H . 18419 1 1016 . 1 1 102 102 ARG HA H 1 4.388 0.001 . 1 . 925 . . 102 ARG HA . 18419 1 1017 . 1 1 102 102 ARG HB2 H 1 1.620 0.003 . 2 . 926 . . 102 ARG HB2 . 18419 1 1018 . 1 1 102 102 ARG HB3 H 1 1.612 0.001 . 2 . 927 . . 102 ARG HB3 . 18419 1 1019 . 1 1 102 102 ARG HG2 H 1 1.878 0.003 . 2 . 930 . . 102 ARG HG2 . 18419 1 1020 . 1 1 102 102 ARG HG3 H 1 1.516 0.007 . 2 . 931 . . 102 ARG HG3 . 18419 1 1021 . 1 1 102 102 ARG HD2 H 1 3.292 0.001 . 2 . 928 . . 102 ARG HD2 . 18419 1 1022 . 1 1 102 102 ARG HD3 H 1 3.029 0.005 . 2 . 929 . . 102 ARG HD3 . 18419 1 1023 . 1 1 102 102 ARG C C 13 175.188 0.001 . 1 . 919 . . 102 ARG C . 18419 1 1024 . 1 1 102 102 ARG CA C 13 55.407 0.031 . 1 . 920 . . 102 ARG CA . 18419 1 1025 . 1 1 102 102 ARG CB C 13 31.564 0.053 . 1 . 921 . . 102 ARG CB . 18419 1 1026 . 1 1 102 102 ARG CG C 13 27.524 0.058 . 1 . 923 . . 102 ARG CG . 18419 1 1027 . 1 1 102 102 ARG CD C 13 44.142 0.034 . 1 . 922 . . 102 ARG CD . 18419 1 1028 . 1 1 102 102 ARG N N 15 123.569 0.004 . 1 . 932 . . 102 ARG N . 18419 1 1029 . 1 1 103 103 LEU H H 1 8.003 0.002 . 1 . 939 . . 103 LEU H . 18419 1 1030 . 1 1 103 103 LEU HA H 1 4.444 0.003 . 1 . 940 . . 103 LEU HA . 18419 1 1031 . 1 1 103 103 LEU HB2 H 1 0.905 0.002 . 2 . 941 . . 103 LEU HB2 . 18419 1 1032 . 1 1 103 103 LEU HB3 H 1 1.535 0.003 . 2 . 942 . . 103 LEU HB3 . 18419 1 1033 . 1 1 103 103 LEU HG H 1 1.361 0.003 . 1 . 945 . . 103 LEU HG . 18419 1 1034 . 1 1 103 103 LEU HD11 H 1 0.728 0.005 . 2 . 943 . . 103 LEU HD11 . 18419 1 1035 . 1 1 103 103 LEU HD12 H 1 0.728 0.005 . 2 . 943 . . 103 LEU HD12 . 18419 1 1036 . 1 1 103 103 LEU HD13 H 1 0.728 0.005 . 2 . 943 . . 103 LEU HD13 . 18419 1 1037 . 1 1 103 103 LEU HD21 H 1 0.730 0.001 . 2 . 944 . . 103 LEU HD21 . 18419 1 1038 . 1 1 103 103 LEU HD22 H 1 0.730 0.001 . 2 . 944 . . 103 LEU HD22 . 18419 1 1039 . 1 1 103 103 LEU HD23 H 1 0.730 0.001 . 2 . 944 . . 103 LEU HD23 . 18419 1 1040 . 1 1 103 103 LEU C C 13 174.738 0.001 . 1 . 933 . . 103 LEU C . 18419 1 1041 . 1 1 103 103 LEU CA C 13 53.972 0.04 . 1 . 934 . . 103 LEU CA . 18419 1 1042 . 1 1 103 103 LEU CB C 13 43.196 0.05 . 1 . 935 . . 103 LEU CB . 18419 1 1043 . 1 1 103 103 LEU CG C 13 27.286 0.001 . 1 . 938 . . 103 LEU CG . 18419 1 1044 . 1 1 103 103 LEU CD1 C 13 25.485 0.04 . 2 . 936 . . 103 LEU CD1 . 18419 1 1045 . 1 1 103 103 LEU CD2 C 13 25.539 0.001 . 2 . 937 . . 103 LEU CD2 . 18419 1 1046 . 1 1 103 103 LEU N N 15 128.848 0.01 . 1 . 946 . . 103 LEU N . 18419 1 1047 . 1 1 104 104 ASN H H 1 9.107 0.002 . 1 . 950 . . 104 ASN H . 18419 1 1048 . 1 1 104 104 ASN HA H 1 4.021 0.001 . 1 . 951 . . 104 ASN HA . 18419 1 1049 . 1 1 104 104 ASN HB2 H 1 2.739 0.001 . 2 . 952 . . 104 ASN HB2 . 18419 1 1050 . 1 1 104 104 ASN HB3 H 1 3.083 0.001 . 2 . 953 . . 104 ASN HB3 . 18419 1 1051 . 1 1 104 104 ASN C C 13 174.346 0.001 . 1 . 947 . . 104 ASN C . 18419 1 1052 . 1 1 104 104 ASN CA C 13 55.886 0.006 . 1 . 948 . . 104 ASN CA . 18419 1 1053 . 1 1 104 104 ASN CB C 13 36.643 0.026 . 1 . 949 . . 104 ASN CB . 18419 1 1054 . 1 1 104 104 ASN N N 15 123.702 0.015 . 1 . 954 . . 104 ASN N . 18419 1 1055 . 1 1 105 105 ASN H H 1 8.380 0.004 . 1 . 958 . . 105 ASN H . 18419 1 1056 . 1 1 105 105 ASN HA H 1 4.816 0.001 . 1 . 959 . . 105 ASN HA . 18419 1 1057 . 1 1 105 105 ASN HB2 H 1 2.941 0.001 . 2 . 960 . . 105 ASN HB2 . 18419 1 1058 . 1 1 105 105 ASN HB3 H 1 2.567 0.001 . 2 . 961 . . 105 ASN HB3 . 18419 1 1059 . 1 1 105 105 ASN C C 13 172.470 0.001 . 1 . 955 . . 105 ASN C . 18419 1 1060 . 1 1 105 105 ASN CA C 13 53.673 0.013 . 1 . 956 . . 105 ASN CA . 18419 1 1061 . 1 1 105 105 ASN CB C 13 38.787 0.03 . 1 . 957 . . 105 ASN CB . 18419 1 1062 . 1 1 105 105 ASN N N 15 122.232 0.014 . 1 . 962 . . 105 ASN N . 18419 1 1063 . 1 1 106 106 ASP H H 1 8.250 0.002 . 1 . 966 . . 106 ASP H . 18419 1 1064 . 1 1 106 106 ASP HA H 1 5.055 0.001 . 1 . 967 . . 106 ASP HA . 18419 1 1065 . 1 1 106 106 ASP HB2 H 1 2.409 0.001 . 2 . 968 . . 106 ASP HB2 . 18419 1 1066 . 1 1 106 106 ASP HB3 H 1 2.764 0.001 . 2 . 969 . . 106 ASP HB3 . 18419 1 1067 . 1 1 106 106 ASP C C 13 176.793 0.001 . 1 . 963 . . 106 ASP C . 18419 1 1068 . 1 1 106 106 ASP CA C 13 53.131 0.036 . 1 . 964 . . 106 ASP CA . 18419 1 1069 . 1 1 106 106 ASP CB C 13 43.517 0.022 . 1 . 965 . . 106 ASP CB . 18419 1 1070 . 1 1 106 106 ASP N N 15 116.842 0.011 . 1 . 970 . . 106 ASP N . 18419 1 1071 . 1 1 107 107 THR H H 1 8.116 0.003 . 1 . 975 . . 107 THR H . 18419 1 1072 . 1 1 107 107 THR HA H 1 4.611 0.003 . 1 . 976 . . 107 THR HA . 18419 1 1073 . 1 1 107 107 THR HB H 1 3.838 0.002 . 1 . 977 . . 107 THR HB . 18419 1 1074 . 1 1 107 107 THR HG21 H 1 0.917 0.011 . 1 . 978 . . 107 THR HG21 . 18419 1 1075 . 1 1 107 107 THR HG22 H 1 0.917 0.011 . 1 . 978 . . 107 THR HG22 . 18419 1 1076 . 1 1 107 107 THR HG23 H 1 0.917 0.011 . 1 . 978 . . 107 THR HG23 . 18419 1 1077 . 1 1 107 107 THR C C 13 172.698 0.001 . 1 . 971 . . 107 THR C . 18419 1 1078 . 1 1 107 107 THR CA C 13 63.332 0.013 . 1 . 972 . . 107 THR CA . 18419 1 1079 . 1 1 107 107 THR CB C 13 70.985 0.052 . 1 . 973 . . 107 THR CB . 18419 1 1080 . 1 1 107 107 THR CG2 C 13 22.135 0.001 . 1 . 974 . . 107 THR CG2 . 18419 1 1081 . 1 1 107 107 THR N N 15 118.706 0.009 . 1 . 979 . . 107 THR N . 18419 1 1082 . 1 1 108 108 GLN H H 1 9.143 0.002 . 1 . 984 . . 108 GLN H . 18419 1 1083 . 1 1 108 108 GLN HA H 1 5.200 0.001 . 1 . 985 . . 108 GLN HA . 18419 1 1084 . 1 1 108 108 GLN HB2 H 1 1.629 0.002 . 2 . 986 . . 108 GLN HB2 . 18419 1 1085 . 1 1 108 108 GLN HB3 H 1 1.603 0.001 . 2 . 987 . . 108 GLN HB3 . 18419 1 1086 . 1 1 108 108 GLN HG2 H 1 1.942 0.001 . 2 . 988 . . 108 GLN HG2 . 18419 1 1087 . 1 1 108 108 GLN HG3 H 1 1.866 0.001 . 2 . 989 . . 108 GLN HG3 . 18419 1 1088 . 1 1 108 108 GLN C C 13 172.748 0.001 . 1 . 980 . . 108 GLN C . 18419 1 1089 . 1 1 108 108 GLN CA C 13 54.148 0.034 . 1 . 981 . . 108 GLN CA . 18419 1 1090 . 1 1 108 108 GLN CB C 13 33.418 0.037 . 1 . 982 . . 108 GLN CB . 18419 1 1091 . 1 1 108 108 GLN CG C 13 35.164 0.008 . 1 . 983 . . 108 GLN CG . 18419 1 1092 . 1 1 108 108 GLN N N 15 125.236 0.025 . 1 . 990 . . 108 GLN N . 18419 1 1093 . 1 1 109 109 LEU H H 1 9.355 0.002 . 1 . 997 . . 109 LEU H . 18419 1 1094 . 1 1 109 109 LEU HA H 1 5.332 0.003 . 1 . 998 . . 109 LEU HA . 18419 1 1095 . 1 1 109 109 LEU HB2 H 1 0.877 0.006 . 2 . 999 . . 109 LEU HB2 . 18419 1 1096 . 1 1 109 109 LEU HB3 H 1 1.571 0.003 . 2 . 1000 . . 109 LEU HB3 . 18419 1 1097 . 1 1 109 109 LEU HG H 1 1.130 0.004 . 1 . 1003 . . 109 LEU HG . 18419 1 1098 . 1 1 109 109 LEU HD11 H 1 0.483 0.004 . 2 . 1001 . . 109 LEU HD11 . 18419 1 1099 . 1 1 109 109 LEU HD12 H 1 0.483 0.004 . 2 . 1001 . . 109 LEU HD12 . 18419 1 1100 . 1 1 109 109 LEU HD13 H 1 0.483 0.004 . 2 . 1001 . . 109 LEU HD13 . 18419 1 1101 . 1 1 109 109 LEU HD21 H 1 0.663 0.001 . 2 . 1002 . . 109 LEU HD21 . 18419 1 1102 . 1 1 109 109 LEU HD22 H 1 0.663 0.001 . 2 . 1002 . . 109 LEU HD22 . 18419 1 1103 . 1 1 109 109 LEU HD23 H 1 0.663 0.001 . 2 . 1002 . . 109 LEU HD23 . 18419 1 1104 . 1 1 109 109 LEU C C 13 174.278 0.001 . 1 . 991 . . 109 LEU C . 18419 1 1105 . 1 1 109 109 LEU CA C 13 52.607 0.05 . 1 . 992 . . 109 LEU CA . 18419 1 1106 . 1 1 109 109 LEU CB C 13 44.763 0.067 . 1 . 993 . . 109 LEU CB . 18419 1 1107 . 1 1 109 109 LEU CG C 13 27.622 0.003 . 1 . 996 . . 109 LEU CG . 18419 1 1108 . 1 1 109 109 LEU CD1 C 13 27.404 0.02 . 2 . 994 . . 109 LEU CD1 . 18419 1 1109 . 1 1 109 109 LEU CD2 C 13 25.277 0.006 . 2 . 995 . . 109 LEU CD2 . 18419 1 1110 . 1 1 109 109 LEU N N 15 127.833 0.014 . 1 . 1004 . . 109 LEU N . 18419 1 1111 . 1 1 110 110 ILE H H 1 9.296 0.003 . 1 . 1011 . . 110 ILE H . 18419 1 1112 . 1 1 110 110 ILE HA H 1 4.732 0.002 . 1 . 1012 . . 110 ILE HA . 18419 1 1113 . 1 1 110 110 ILE HB H 1 1.597 0.003 . 1 . 1013 . . 110 ILE HB . 18419 1 1114 . 1 1 110 110 ILE HG12 H 1 1.290 0.001 . 2 . 1015 . . 110 ILE HG12 . 18419 1 1115 . 1 1 110 110 ILE HG13 H 1 0.865 0.002 . 2 . 1016 . . 110 ILE HG13 . 18419 1 1116 . 1 1 110 110 ILE HG21 H 1 0.658 0.002 . 1 . 1017 . . 110 ILE HG21 . 18419 1 1117 . 1 1 110 110 ILE HG22 H 1 0.658 0.002 . 1 . 1017 . . 110 ILE HG22 . 18419 1 1118 . 1 1 110 110 ILE HG23 H 1 0.658 0.002 . 1 . 1017 . . 110 ILE HG23 . 18419 1 1119 . 1 1 110 110 ILE HD11 H 1 0.660 0.002 . 1 . 1014 . . 110 ILE HD11 . 18419 1 1120 . 1 1 110 110 ILE HD12 H 1 0.660 0.002 . 1 . 1014 . . 110 ILE HD12 . 18419 1 1121 . 1 1 110 110 ILE HD13 H 1 0.660 0.002 . 1 . 1014 . . 110 ILE HD13 . 18419 1 1122 . 1 1 110 110 ILE C C 13 175.798 0.001 . 1 . 1005 . . 110 ILE C . 18419 1 1123 . 1 1 110 110 ILE CA C 13 60.499 0.046 . 1 . 1006 . . 110 ILE CA . 18419 1 1124 . 1 1 110 110 ILE CB C 13 39.660 0.052 . 1 . 1007 . . 110 ILE CB . 18419 1 1125 . 1 1 110 110 ILE CG1 C 13 28.146 0.001 . 1 . 1009 . . 110 ILE CG1 . 18419 1 1126 . 1 1 110 110 ILE CG2 C 13 17.862 0.018 . 1 . 1010 . . 110 ILE CG2 . 18419 1 1127 . 1 1 110 110 ILE CD1 C 13 14.143 0.005 . 1 . 1008 . . 110 ILE CD1 . 18419 1 1128 . 1 1 110 110 ILE N N 15 125.902 0.01 . 1 . 1018 . . 110 ILE N . 18419 1 1129 . 1 1 111 111 ILE H H 1 9.231 0.003 . 1 . 1025 . . 111 ILE H . 18419 1 1130 . 1 1 111 111 ILE HA H 1 4.548 0.005 . 1 . 1026 . . 111 ILE HA . 18419 1 1131 . 1 1 111 111 ILE HB H 1 1.645 0.001 . 1 . 1027 . . 111 ILE HB . 18419 1 1132 . 1 1 111 111 ILE HG12 H 1 0.611 0.002 . 2 . 1029 . . 111 ILE HG12 . 18419 1 1133 . 1 1 111 111 ILE HG13 H 1 1.333 0.001 . 2 . 1030 . . 111 ILE HG13 . 18419 1 1134 . 1 1 111 111 ILE HG21 H 1 0.540 0.001 . 1 . 1031 . . 111 ILE HG21 . 18419 1 1135 . 1 1 111 111 ILE HG22 H 1 0.540 0.001 . 1 . 1031 . . 111 ILE HG22 . 18419 1 1136 . 1 1 111 111 ILE HG23 H 1 0.540 0.001 . 1 . 1031 . . 111 ILE HG23 . 18419 1 1137 . 1 1 111 111 ILE HD11 H 1 0.343 0.001 . 1 . 1028 . . 111 ILE HD11 . 18419 1 1138 . 1 1 111 111 ILE HD12 H 1 0.343 0.001 . 1 . 1028 . . 111 ILE HD12 . 18419 1 1139 . 1 1 111 111 ILE HD13 H 1 0.343 0.001 . 1 . 1028 . . 111 ILE HD13 . 18419 1 1140 . 1 1 111 111 ILE C C 13 175.362 0.001 . 1 . 1019 . . 111 ILE C . 18419 1 1141 . 1 1 111 111 ILE CA C 13 59.638 0.038 . 1 . 1020 . . 111 ILE CA . 18419 1 1142 . 1 1 111 111 ILE CB C 13 40.340 0.031 . 1 . 1021 . . 111 ILE CB . 18419 1 1143 . 1 1 111 111 ILE CG1 C 13 27.406 0.004 . 1 . 1023 . . 111 ILE CG1 . 18419 1 1144 . 1 1 111 111 ILE CG2 C 13 18.997 0.008 . 1 . 1024 . . 111 ILE CG2 . 18419 1 1145 . 1 1 111 111 ILE CD1 C 13 13.109 0.007 . 1 . 1022 . . 111 ILE CD1 . 18419 1 1146 . 1 1 111 111 ILE N N 15 130.947 0.007 . 1 . 1032 . . 111 ILE N . 18419 1 1147 . 1 1 112 112 THR H H 1 9.032 0.002 . 1 . 1037 . . 112 THR H . 18419 1 1148 . 1 1 112 112 THR HA H 1 4.688 0.003 . 1 . 1038 . . 112 THR HA . 18419 1 1149 . 1 1 112 112 THR HB H 1 4.149 0.003 . 1 . 1039 . . 112 THR HB . 18419 1 1150 . 1 1 112 112 THR HG21 H 1 1.047 0.001 . 1 . 1040 . . 112 THR HG21 . 18419 1 1151 . 1 1 112 112 THR HG22 H 1 1.047 0.001 . 1 . 1040 . . 112 THR HG22 . 18419 1 1152 . 1 1 112 112 THR HG23 H 1 1.047 0.001 . 1 . 1040 . . 112 THR HG23 . 18419 1 1153 . 1 1 112 112 THR C C 13 175.067 0.001 . 1 . 1033 . . 112 THR C . 18419 1 1154 . 1 1 112 112 THR CA C 13 61.634 0.038 . 1 . 1034 . . 112 THR CA . 18419 1 1155 . 1 1 112 112 THR CB C 13 69.548 0.04 . 1 . 1035 . . 112 THR CB . 18419 1 1156 . 1 1 112 112 THR CG2 C 13 22.332 0.001 . 1 . 1036 . . 112 THR CG2 . 18419 1 1157 . 1 1 112 112 THR N N 15 121.919 0.015 . 1 . 1041 . . 112 THR N . 18419 1 1158 . 1 1 113 113 THR H H 1 8.133 0.002 . 1 . 1046 . . 113 THR H . 18419 1 1159 . 1 1 113 113 THR HA H 1 5.085 0.002 . 1 . 1047 . . 113 THR HA . 18419 1 1160 . 1 1 113 113 THR HB H 1 3.324 0.002 . 1 . 1048 . . 113 THR HB . 18419 1 1161 . 1 1 113 113 THR HG21 H 1 -0.216 0.001 . 1 . 1049 . . 113 THR HG21 . 18419 1 1162 . 1 1 113 113 THR HG22 H 1 -0.216 0.001 . 1 . 1049 . . 113 THR HG22 . 18419 1 1163 . 1 1 113 113 THR HG23 H 1 -0.216 0.001 . 1 . 1049 . . 113 THR HG23 . 18419 1 1164 . 1 1 113 113 THR C C 13 172.785 0.001 . 1 . 1042 . . 113 THR C . 18419 1 1165 . 1 1 113 113 THR CA C 13 60.306 0.022 . 1 . 1043 . . 113 THR CA . 18419 1 1166 . 1 1 113 113 THR CB C 13 71.983 0.026 . 1 . 1044 . . 113 THR CB . 18419 1 1167 . 1 1 113 113 THR CG2 C 13 20.303 0.001 . 1 . 1045 . . 113 THR CG2 . 18419 1 1168 . 1 1 113 113 THR N N 15 116.064 0.016 . 1 . 1050 . . 113 THR N . 18419 1 1169 . 1 1 114 114 ALA H H 1 8.345 0.001 . 1 . 1054 . . 114 ALA H . 18419 1 1170 . 1 1 114 114 ALA HA H 1 4.672 0.001 . 1 . 1055 . . 114 ALA HA . 18419 1 1171 . 1 1 114 114 ALA HB1 H 1 1.218 0.001 . 1 . 1056 . . 114 ALA HB1 . 18419 1 1172 . 1 1 114 114 ALA HB2 H 1 1.218 0.001 . 1 . 1056 . . 114 ALA HB2 . 18419 1 1173 . 1 1 114 114 ALA HB3 H 1 1.218 0.001 . 1 . 1056 . . 114 ALA HB3 . 18419 1 1174 . 1 1 114 114 ALA C C 13 177.735 0.001 . 1 . 1051 . . 114 ALA C . 18419 1 1175 . 1 1 114 114 ALA CA C 13 51.629 0.008 . 1 . 1052 . . 114 ALA CA . 18419 1 1176 . 1 1 114 114 ALA CB C 13 22.198 0.009 . 1 . 1053 . . 114 ALA CB . 18419 1 1177 . 1 1 114 114 ALA N N 15 120.505 0.006 . 1 . 1057 . . 114 ALA N . 18419 1 1178 . 1 1 115 115 GLY H H 1 8.514 0.002 . 1 . 1060 . . 115 GLY H . 18419 1 1179 . 1 1 115 115 GLY HA2 H 1 3.774 0.001 . 2 . 1061 . . 115 GLY HA2 . 18419 1 1180 . 1 1 115 115 GLY HA3 H 1 4.087 0.001 . 2 . 1062 . . 115 GLY HA3 . 18419 1 1181 . 1 1 115 115 GLY C C 13 173.162 0.001 . 1 . 1058 . . 115 GLY C . 18419 1 1182 . 1 1 115 115 GLY CA C 13 44.967 0.015 . 1 . 1059 . . 115 GLY CA . 18419 1 1183 . 1 1 115 115 GLY N N 15 107.470 0.009 . 1 . 1063 . . 115 GLY N . 18419 1 1184 . 1 1 116 116 ASN H H 1 8.547 0.002 . 1 . 1067 . . 116 ASN H . 18419 1 1185 . 1 1 116 116 ASN HA H 1 4.932 0.001 . 1 . 1068 . . 116 ASN HA . 18419 1 1186 . 1 1 116 116 ASN HB2 H 1 2.561 0.001 . 2 . 1069 . . 116 ASN HB2 . 18419 1 1187 . 1 1 116 116 ASN HB3 H 1 2.654 0.001 . 2 . 1070 . . 116 ASN HB3 . 18419 1 1188 . 1 1 116 116 ASN C C 13 175.143 0.001 . 1 . 1064 . . 116 ASN C . 18419 1 1189 . 1 1 116 116 ASN CA C 13 52.521 0.012 . 1 . 1065 . . 116 ASN CA . 18419 1 1190 . 1 1 116 116 ASN CB C 13 39.854 0.018 . 1 . 1066 . . 116 ASN CB . 18419 1 1191 . 1 1 116 116 ASN N N 15 118.760 0.01 . 1 . 1071 . . 116 ASN N . 18419 1 1192 . 1 1 117 117 TRP H H 1 7.927 0.002 . 1 . 1078 . . 117 TRP H . 18419 1 1193 . 1 1 117 117 TRP HA H 1 5.527 0.001 . 1 . 1079 . . 117 TRP HA . 18419 1 1194 . 1 1 117 117 TRP HB2 H 1 2.869 0.001 . 2 . 1080 . . 117 TRP HB2 . 18419 1 1195 . 1 1 117 117 TRP HB3 H 1 3.135 0.001 . 2 . 1081 . . 117 TRP HB3 . 18419 1 1196 . 1 1 117 117 TRP HD1 H 1 6.841 0.001 . 1 . 1082 . . 117 TRP HD1 . 18419 1 1197 . 1 1 117 117 TRP HE1 H 1 9.558 0.001 . 1 . 1083 . . 117 TRP HE1 . 18419 1 1198 . 1 1 117 117 TRP HZ2 H 1 7.480 0.001 . 1 . 1085 . . 117 TRP HZ2 . 18419 1 1199 . 1 1 117 117 TRP HH2 H 1 6.914 0.001 . 1 . 1084 . . 117 TRP HH2 . 18419 1 1200 . 1 1 117 117 TRP C C 13 174.300 0.001 . 1 . 1072 . . 117 TRP C . 18419 1 1201 . 1 1 117 117 TRP CA C 13 55.278 0.031 . 1 . 1073 . . 117 TRP CA . 18419 1 1202 . 1 1 117 117 TRP CB C 13 33.069 0.007 . 1 . 1074 . . 117 TRP CB . 18419 1 1203 . 1 1 117 117 TRP CD1 C 13 129.198 0.001 . 1 . 1075 . . 117 TRP CD1 . 18419 1 1204 . 1 1 117 117 TRP CZ2 C 13 115.216 0.001 . 1 . 1077 . . 117 TRP CZ2 . 18419 1 1205 . 1 1 117 117 TRP CH2 C 13 124.310 0.001 . 1 . 1076 . . 117 TRP CH2 . 18419 1 1206 . 1 1 117 117 TRP N N 15 121.775 0.019 . 1 . 1086 . . 117 TRP N . 18419 1 1207 . 1 1 117 117 TRP NE1 N 15 129.972 0.001 . 1 . 1087 . . 117 TRP NE1 . 18419 1 1208 . 1 1 118 118 GLU H H 1 9.182 0.003 . 1 . 1092 . . 118 GLU H . 18419 1 1209 . 1 1 118 118 GLU HA H 1 4.577 0.002 . 1 . 1093 . . 118 GLU HA . 18419 1 1210 . 1 1 118 118 GLU HB2 H 1 1.857 0.001 . 2 . 1094 . . 118 GLU HB2 . 18419 1 1211 . 1 1 118 118 GLU HB3 H 1 1.852 0.001 . 2 . 1095 . . 118 GLU HB3 . 18419 1 1212 . 1 1 118 118 GLU HG2 H 1 2.080 0.014 . 2 . 1096 . . 118 GLU HG2 . 18419 1 1213 . 1 1 118 118 GLU HG3 H 1 2.038 0.015 . 2 . 1097 . . 118 GLU HG3 . 18419 1 1214 . 1 1 118 118 GLU C C 13 173.708 0.001 . 1 . 1088 . . 118 GLU C . 18419 1 1215 . 1 1 118 118 GLU CA C 13 55.258 0.021 . 1 . 1089 . . 118 GLU CA . 18419 1 1216 . 1 1 118 118 GLU CB C 13 33.871 0.05 . 1 . 1090 . . 118 GLU CB . 18419 1 1217 . 1 1 118 118 GLU CG C 13 36.140 0.001 . 1 . 1091 . . 118 GLU CG . 18419 1 1218 . 1 1 118 118 GLU N N 15 118.323 0.01 . 1 . 1098 . . 118 GLU N . 18419 1 1219 . 1 1 119 119 LEU H H 1 9.123 0.002 . 1 . 1105 . . 119 LEU H . 18419 1 1220 . 1 1 119 119 LEU HA H 1 5.489 0.003 . 1 . 1106 . . 119 LEU HA . 18419 1 1221 . 1 1 119 119 LEU HB2 H 1 1.462 0.008 . 2 . 1107 . . 119 LEU HB2 . 18419 1 1222 . 1 1 119 119 LEU HB3 H 1 2.031 0.003 . 2 . 1108 . . 119 LEU HB3 . 18419 1 1223 . 1 1 119 119 LEU HG H 1 1.468 0.002 . 1 . 1111 . . 119 LEU HG . 18419 1 1224 . 1 1 119 119 LEU HD11 H 1 0.901 0.001 . 1 . 1109 . . 119 LEU HD11 . 18419 1 1225 . 1 1 119 119 LEU HD12 H 1 0.901 0.001 . 1 . 1109 . . 119 LEU HD12 . 18419 1 1226 . 1 1 119 119 LEU HD13 H 1 0.901 0.001 . 1 . 1109 . . 119 LEU HD13 . 18419 1 1227 . 1 1 119 119 LEU HD21 H 1 0.901 0.001 . 1 . 1110 . . 119 LEU HD21 . 18419 1 1228 . 1 1 119 119 LEU HD22 H 1 0.901 0.001 . 1 . 1110 . . 119 LEU HD22 . 18419 1 1229 . 1 1 119 119 LEU HD23 H 1 0.901 0.001 . 1 . 1110 . . 119 LEU HD23 . 18419 1 1230 . 1 1 119 119 LEU C C 13 176.100 0.001 . 1 . 1099 . . 119 LEU C . 18419 1 1231 . 1 1 119 119 LEU CA C 13 53.883 0.02 . 1 . 1100 . . 119 LEU CA . 18419 1 1232 . 1 1 119 119 LEU CB C 13 44.975 0.038 . 1 . 1101 . . 119 LEU CB . 18419 1 1233 . 1 1 119 119 LEU CG C 13 27.705 0.007 . 1 . 1104 . . 119 LEU CG . 18419 1 1234 . 1 1 119 119 LEU CD1 C 13 23.933 0.001 . 2 . 1102 . . 119 LEU CD1 . 18419 1 1235 . 1 1 119 119 LEU CD2 C 13 26.661 0.001 . 2 . 1103 . . 119 LEU CD2 . 18419 1 1236 . 1 1 119 119 LEU N N 15 125.638 0.025 . 1 . 1112 . . 119 LEU N . 18419 1 1237 . 1 1 120 120 VAL H H 1 9.485 0.002 . 1 . 1118 . . 120 VAL H . 18419 1 1238 . 1 1 120 120 VAL HA H 1 4.316 0.013 . 1 . 1119 . . 120 VAL HA . 18419 1 1239 . 1 1 120 120 VAL HB H 1 2.048 0.001 . 1 . 1120 . . 120 VAL HB . 18419 1 1240 . 1 1 120 120 VAL HG11 H 1 0.840 0.005 . 2 . 1121 . . 120 VAL HG11 . 18419 1 1241 . 1 1 120 120 VAL HG12 H 1 0.840 0.005 . 2 . 1121 . . 120 VAL HG12 . 18419 1 1242 . 1 1 120 120 VAL HG13 H 1 0.840 0.005 . 2 . 1121 . . 120 VAL HG13 . 18419 1 1243 . 1 1 120 120 VAL HG21 H 1 0.871 0.001 . 2 . 1122 . . 120 VAL HG21 . 18419 1 1244 . 1 1 120 120 VAL HG22 H 1 0.871 0.001 . 2 . 1122 . . 120 VAL HG22 . 18419 1 1245 . 1 1 120 120 VAL HG23 H 1 0.871 0.001 . 2 . 1122 . . 120 VAL HG23 . 18419 1 1246 . 1 1 120 120 VAL C C 13 174.503 0.001 . 1 . 1113 . . 120 VAL C . 18419 1 1247 . 1 1 120 120 VAL CA C 13 61.951 0.04 . 1 . 1114 . . 120 VAL CA . 18419 1 1248 . 1 1 120 120 VAL CB C 13 34.415 0.079 . 1 . 1115 . . 120 VAL CB . 18419 1 1249 . 1 1 120 120 VAL CG1 C 13 21.177 0.001 . 2 . 1116 . . 120 VAL CG1 . 18419 1 1250 . 1 1 120 120 VAL CG2 C 13 21.032 0.001 . 2 . 1117 . . 120 VAL CG2 . 18419 1 1251 . 1 1 120 120 VAL N N 15 129.169 0.011 . 1 . 1123 . . 120 VAL N . 18419 1 1252 . 1 1 121 121 ASN H H 1 8.802 0.002 . 1 . 1127 . . 121 ASN H . 18419 1 1253 . 1 1 121 121 ASN HA H 1 5.473 0.004 . 1 . 1128 . . 121 ASN HA . 18419 1 1254 . 1 1 121 121 ASN HB2 H 1 2.454 0.001 . 2 . 1129 . . 121 ASN HB2 . 18419 1 1255 . 1 1 121 121 ASN HB3 H 1 2.547 0.008 . 2 . 1130 . . 121 ASN HB3 . 18419 1 1256 . 1 1 121 121 ASN HD21 H 1 7.401 0.001 . 1 . 1131 . . 121 ASN HD21 . 18419 1 1257 . 1 1 121 121 ASN HD22 H 1 6.464 0.001 . 1 . 1132 . . 121 ASN HD22 . 18419 1 1258 . 1 1 121 121 ASN C C 13 173.638 0.001 . 1 . 1124 . . 121 ASN C . 18419 1 1259 . 1 1 121 121 ASN CA C 13 51.987 0.019 . 1 . 1125 . . 121 ASN CA . 18419 1 1260 . 1 1 121 121 ASN CB C 13 41.330 0.047 . 1 . 1126 . . 121 ASN CB . 18419 1 1261 . 1 1 121 121 ASN N N 15 125.308 0.006 . 1 . 1133 . . 121 ASN N . 18419 1 1262 . 1 1 121 121 ASN ND2 N 15 111.704 0.001 . 1 . 1134 . . 121 ASN ND2 . 18419 1 1263 . 1 1 122 122 LYS H H 1 8.458 0.002 . 1 . 1141 . . 122 LYS H . 18419 1 1264 . 1 1 122 122 LYS HA H 1 4.589 0.003 . 1 . 1142 . . 122 LYS HA . 18419 1 1265 . 1 1 122 122 LYS HB2 H 1 1.467 0.003 . 2 . 1143 . . 122 LYS HB2 . 18419 1 1266 . 1 1 122 122 LYS HB3 H 1 1.752 0.004 . 2 . 1144 . . 122 LYS HB3 . 18419 1 1267 . 1 1 122 122 LYS HG2 H 1 1.179 0.003 . 2 . 1149 . . 122 LYS HG2 . 18419 1 1268 . 1 1 122 122 LYS HG3 H 1 1.135 0.001 . 2 . 1150 . . 122 LYS HG3 . 18419 1 1269 . 1 1 122 122 LYS HD2 H 1 1.472 0.001 . 2 . 1145 . . 122 LYS HD2 . 18419 1 1270 . 1 1 122 122 LYS HD3 H 1 1.467 0.001 . 2 . 1146 . . 122 LYS HD3 . 18419 1 1271 . 1 1 122 122 LYS HE2 H 1 2.740 0.001 . 2 . 1147 . . 122 LYS HE2 . 18419 1 1272 . 1 1 122 122 LYS HE3 H 1 2.752 0.001 . 2 . 1148 . . 122 LYS HE3 . 18419 1 1273 . 1 1 122 122 LYS C C 13 175.258 0.001 . 1 . 1135 . . 122 LYS C . 18419 1 1274 . 1 1 122 122 LYS CA C 13 54.954 0.024 . 1 . 1136 . . 122 LYS CA . 18419 1 1275 . 1 1 122 122 LYS CB C 13 36.380 0.045 . 1 . 1137 . . 122 LYS CB . 18419 1 1276 . 1 1 122 122 LYS CG C 13 24.604 0.001 . 1 . 1140 . . 122 LYS CG . 18419 1 1277 . 1 1 122 122 LYS CD C 13 29.069 0.001 . 1 . 1138 . . 122 LYS CD . 18419 1 1278 . 1 1 122 122 LYS CE C 13 41.920 0.001 . 1 . 1139 . . 122 LYS CE . 18419 1 1279 . 1 1 122 122 LYS N N 15 121.297 0.012 . 1 . 1151 . . 122 LYS N . 18419 1 1280 . 1 1 123 123 SER H H 1 8.484 0.003 . 1 . 1155 . . 123 SER H . 18419 1 1281 . 1 1 123 123 SER HA H 1 4.867 0.001 . 1 . 1156 . . 123 SER HA . 18419 1 1282 . 1 1 123 123 SER HB2 H 1 3.568 0.001 . 2 . 1157 . . 123 SER HB2 . 18419 1 1283 . 1 1 123 123 SER HB3 H 1 3.823 0.001 . 2 . 1158 . . 123 SER HB3 . 18419 1 1284 . 1 1 123 123 SER C C 13 174.501 0.001 . 1 . 1152 . . 123 SER C . 18419 1 1285 . 1 1 123 123 SER CA C 13 56.916 0.036 . 1 . 1153 . . 123 SER CA . 18419 1 1286 . 1 1 123 123 SER CB C 13 64.089 0.043 . 1 . 1154 . . 123 SER CB . 18419 1 1287 . 1 1 123 123 SER N N 15 116.256 0.019 . 1 . 1159 . . 123 SER N . 18419 1 1288 . 1 1 124 124 ALA H H 1 8.547 0.002 . 1 . 1163 . . 124 ALA H . 18419 1 1289 . 1 1 124 124 ALA HA H 1 4.146 0.001 . 1 . 1164 . . 124 ALA HA . 18419 1 1290 . 1 1 124 124 ALA HB1 H 1 1.152 0.001 . 1 . 1165 . . 124 ALA HB1 . 18419 1 1291 . 1 1 124 124 ALA HB2 H 1 1.152 0.001 . 1 . 1165 . . 124 ALA HB2 . 18419 1 1292 . 1 1 124 124 ALA HB3 H 1 1.152 0.001 . 1 . 1165 . . 124 ALA HB3 . 18419 1 1293 . 1 1 124 124 ALA C C 13 176.623 0.001 . 1 . 1160 . . 124 ALA C . 18419 1 1294 . 1 1 124 124 ALA CA C 13 53.062 0.001 . 1 . 1161 . . 124 ALA CA . 18419 1 1295 . 1 1 124 124 ALA CB C 13 19.653 0.002 . 1 . 1162 . . 124 ALA CB . 18419 1 1296 . 1 1 124 124 ALA N N 15 130.270 0.004 . 1 . 1166 . . 124 ALA N . 18419 1 1297 . 1 1 125 125 ALA H H 1 7.688 0.002 . 1 . 1170 . . 125 ALA H . 18419 1 1298 . 1 1 125 125 ALA HA H 1 4.438 0.001 . 1 . 1171 . . 125 ALA HA . 18419 1 1299 . 1 1 125 125 ALA HB1 H 1 1.167 0.001 . 1 . 1172 . . 125 ALA HB1 . 18419 1 1300 . 1 1 125 125 ALA HB2 H 1 1.167 0.001 . 1 . 1172 . . 125 ALA HB2 . 18419 1 1301 . 1 1 125 125 ALA HB3 H 1 1.167 0.001 . 1 . 1172 . . 125 ALA HB3 . 18419 1 1302 . 1 1 125 125 ALA C C 13 173.217 0.001 . 1 . 1167 . . 125 ALA C . 18419 1 1303 . 1 1 125 125 ALA CA C 13 50.324 0.001 . 1 . 1168 . . 125 ALA CA . 18419 1 1304 . 1 1 125 125 ALA CB C 13 18.757 0.001 . 1 . 1169 . . 125 ALA CB . 18419 1 1305 . 1 1 125 125 ALA N N 15 119.529 0.010 . 1 . 1173 . . 125 ALA N . 18419 1 1306 . 1 1 126 126 PRO HA H 1 4.228 0.002 . 1 . 1179 . . 126 PRO HA . 18419 1 1307 . 1 1 126 126 PRO HB2 H 1 1.824 0.003 . 2 . 1180 . . 126 PRO HB2 . 18419 1 1308 . 1 1 126 126 PRO HB3 H 1 2.232 0.013 . 2 . 1181 . . 126 PRO HB3 . 18419 1 1309 . 1 1 126 126 PRO HG2 H 1 2.078 0.011 . 2 . 1184 . . 126 PRO HG2 . 18419 1 1310 . 1 1 126 126 PRO HG3 H 1 1.908 0.001 . 2 . 1185 . . 126 PRO HG3 . 18419 1 1311 . 1 1 126 126 PRO HD2 H 1 3.499 0.001 . 2 . 1182 . . 126 PRO HD2 . 18419 1 1312 . 1 1 126 126 PRO HD3 H 1 3.702 0.002 . 2 . 1183 . . 126 PRO HD3 . 18419 1 1313 . 1 1 126 126 PRO C C 13 177.925 0.001 . 1 . 1174 . . 126 PRO C . 18419 1 1314 . 1 1 126 126 PRO CA C 13 64.452 0.031 . 1 . 1175 . . 126 PRO CA . 18419 1 1315 . 1 1 126 126 PRO CB C 13 31.488 0.022 . 1 . 1176 . . 126 PRO CB . 18419 1 1316 . 1 1 126 126 PRO CG C 13 27.889 0.072 . 1 . 1178 . . 126 PRO CG . 18419 1 1317 . 1 1 126 126 PRO CD C 13 49.966 0.017 . 1 . 1177 . . 126 PRO CD . 18419 1 1318 . 1 1 127 127 GLY H H 1 8.273 0.002 . 1 . 1188 . . 127 GLY H . 18419 1 1319 . 1 1 127 127 GLY HA2 H 1 3.531 0.001 . 2 . 1189 . . 127 GLY HA2 . 18419 1 1320 . 1 1 127 127 GLY HA3 H 1 4.076 0.001 . 2 . 1190 . . 127 GLY HA3 . 18419 1 1321 . 1 1 127 127 GLY C C 13 171.034 0.001 . 1 . 1186 . . 127 GLY C . 18419 1 1322 . 1 1 127 127 GLY CA C 13 45.850 0.014 . 1 . 1187 . . 127 GLY CA . 18419 1 1323 . 1 1 127 127 GLY N N 15 112.506 0.009 . 1 . 1191 . . 127 GLY N . 18419 1 1324 . 1 1 128 128 TYR H H 1 7.757 0.002 . 1 . 1199 . . 128 TYR H . 18419 1 1325 . 1 1 128 128 TYR HA H 1 4.938 0.001 . 1 . 1200 . . 128 TYR HA . 18419 1 1326 . 1 1 128 128 TYR HB2 H 1 2.559 0.001 . 2 . 1201 . . 128 TYR HB2 . 18419 1 1327 . 1 1 128 128 TYR HB3 H 1 2.697 0.001 . 2 . 1202 . . 128 TYR HB3 . 18419 1 1328 . 1 1 128 128 TYR HD1 H 1 6.869 0.001 . 3 . 1203 . . 128 TYR HD1 . 18419 1 1329 . 1 1 128 128 TYR HD2 H 1 6.869 0.001 . 3 . 1204 . . 128 TYR HD2 . 18419 1 1330 . 1 1 128 128 TYR HE1 H 1 6.616 0.001 . 3 . 1205 . . 128 TYR HE1 . 18419 1 1331 . 1 1 128 128 TYR HE2 H 1 6.616 0.001 . 3 . 1206 . . 128 TYR HE2 . 18419 1 1332 . 1 1 128 128 TYR C C 13 174.071 0.001 . 1 . 1192 . . 128 TYR C . 18419 1 1333 . 1 1 128 128 TYR CA C 13 57.128 0.001 . 1 . 1193 . . 128 TYR CA . 18419 1 1334 . 1 1 128 128 TYR CB C 13 39.575 0.001 . 1 . 1194 . . 128 TYR CB . 18419 1 1335 . 1 1 128 128 TYR CD1 C 13 133.304 0.001 . 3 . 1195 . . 128 TYR CD1 . 18419 1 1336 . 1 1 128 128 TYR CD2 C 13 133.304 0.001 . 3 . 1196 . . 128 TYR CD2 . 18419 1 1337 . 1 1 128 128 TYR CE1 C 13 117.720 0.001 . 3 . 1197 . . 128 TYR CE1 . 18419 1 1338 . 1 1 128 128 TYR CE2 C 13 117.720 0.001 . 3 . 1198 . . 128 TYR CE2 . 18419 1 1339 . 1 1 128 128 TYR N N 15 118.449 0.013 . 1 . 1207 . . 128 TYR N . 18419 1 1340 . 1 1 129 129 PHE H H 1 8.969 0.002 . 1 . 1215 . . 129 PHE H . 18419 1 1341 . 1 1 129 129 PHE HA H 1 4.962 0.001 . 1 . 1216 . . 129 PHE HA . 18419 1 1342 . 1 1 129 129 PHE HB2 H 1 2.505 0.001 . 2 . 1217 . . 129 PHE HB2 . 18419 1 1343 . 1 1 129 129 PHE HB3 H 1 2.755 0.001 . 2 . 1218 . . 129 PHE HB3 . 18419 1 1344 . 1 1 129 129 PHE HD1 H 1 7.028 0.001 . 3 . 1219 . . 129 PHE HD1 . 18419 1 1345 . 1 1 129 129 PHE HD2 H 1 7.040 0.001 . 3 . 1220 . . 129 PHE HD2 . 18419 1 1346 . 1 1 129 129 PHE HE1 H 1 7.211 0.001 . 3 . 1221 . . 129 PHE HE1 . 18419 1 1347 . 1 1 129 129 PHE HE2 H 1 7.211 0.001 . 3 . 1222 . . 129 PHE HE2 . 18419 1 1348 . 1 1 129 129 PHE C C 13 174.029 0.001 . 1 . 1208 . . 129 PHE C . 18419 1 1349 . 1 1 129 129 PHE CA C 13 56.538 0.079 . 1 . 1209 . . 129 PHE CA . 18419 1 1350 . 1 1 129 129 PHE CB C 13 43.951 0.033 . 1 . 1210 . . 129 PHE CB . 18419 1 1351 . 1 1 129 129 PHE CD1 C 13 132.378 0.001 . 3 . 1211 . . 129 PHE CD1 . 18419 1 1352 . 1 1 129 129 PHE CD2 C 13 132.378 0.001 . 3 . 1212 . . 129 PHE CD2 . 18419 1 1353 . 1 1 129 129 PHE CE1 C 13 130.624 0.001 . 3 . 1213 . . 129 PHE CE1 . 18419 1 1354 . 1 1 129 129 PHE CE2 C 13 130.686 0.072 . 3 . 1214 . . 129 PHE CE2 . 18419 1 1355 . 1 1 129 129 PHE N N 15 120.547 0.007 . 1 . 1223 . . 129 PHE N . 18419 1 1356 . 1 1 130 130 THR H H 1 8.554 0.002 . 1 . 1228 . . 130 THR H . 18419 1 1357 . 1 1 130 130 THR HA H 1 4.875 0.005 . 1 . 1229 . . 130 THR HA . 18419 1 1358 . 1 1 130 130 THR HB H 1 3.493 0.002 . 1 . 1230 . . 130 THR HB . 18419 1 1359 . 1 1 130 130 THR HG21 H 1 0.912 0.002 . 1 . 1231 . . 130 THR HG21 . 18419 1 1360 . 1 1 130 130 THR HG22 H 1 0.912 0.002 . 1 . 1231 . . 130 THR HG22 . 18419 1 1361 . 1 1 130 130 THR HG23 H 1 0.912 0.002 . 1 . 1231 . . 130 THR HG23 . 18419 1 1362 . 1 1 130 130 THR C C 13 172.984 0.001 . 1 . 1224 . . 130 THR C . 18419 1 1363 . 1 1 130 130 THR CA C 13 61.250 0.077 . 1 . 1225 . . 130 THR CA . 18419 1 1364 . 1 1 130 130 THR CB C 13 71.156 0.057 . 1 . 1226 . . 130 THR CB . 18419 1 1365 . 1 1 130 130 THR CG2 C 13 22.257 0.001 . 1 . 1227 . . 130 THR CG2 . 18419 1 1366 . 1 1 130 130 THR N N 15 118.140 0.012 . 1 . 1232 . . 130 THR N . 18419 1 1367 . 1 1 131 131 PHE H H 1 9.180 0.003 . 1 . 1241 . . 131 PHE H . 18419 1 1368 . 1 1 131 131 PHE HA H 1 4.877 0.001 . 1 . 1242 . . 131 PHE HA . 18419 1 1369 . 1 1 131 131 PHE HB2 H 1 2.661 0.001 . 2 . 1243 . . 131 PHE HB2 . 18419 1 1370 . 1 1 131 131 PHE HB3 H 1 2.908 0.001 . 2 . 1244 . . 131 PHE HB3 . 18419 1 1371 . 1 1 131 131 PHE HD1 H 1 7.016 0.001 . 3 . 1245 . . 131 PHE HD1 . 18419 1 1372 . 1 1 131 131 PHE HD2 H 1 7.016 0.001 . 3 . 1246 . . 131 PHE HD2 . 18419 1 1373 . 1 1 131 131 PHE HE1 H 1 6.965 0.001 . 3 . 1247 . . 131 PHE HE1 . 18419 1 1374 . 1 1 131 131 PHE HE2 H 1 6.965 0.001 . 3 . 1248 . . 131 PHE HE2 . 18419 1 1375 . 1 1 131 131 PHE HZ H 1 6.569 0.007 . 1 . 1249 . . 131 PHE HZ . 18419 1 1376 . 1 1 131 131 PHE C C 13 172.973 0.001 . 1 . 1233 . . 131 PHE C . 18419 1 1377 . 1 1 131 131 PHE CA C 13 56.068 0.002 . 1 . 1234 . . 131 PHE CA . 18419 1 1378 . 1 1 131 131 PHE CB C 13 39.743 0.022 . 1 . 1235 . . 131 PHE CB . 18419 1 1379 . 1 1 131 131 PHE CD1 C 13 131.855 0.001 . 3 . 1236 . . 131 PHE CD1 . 18419 1 1380 . 1 1 131 131 PHE CD2 C 13 131.855 0.001 . 3 . 1237 . . 131 PHE CD2 . 18419 1 1381 . 1 1 131 131 PHE CE1 C 13 130.532 0.027 . 3 . 1238 . . 131 PHE CE1 . 18419 1 1382 . 1 1 131 131 PHE CE2 C 13 130.532 0.027 . 3 . 1239 . . 131 PHE CE2 . 18419 1 1383 . 1 1 131 131 PHE CZ C 13 128.861 0.072 . 1 . 1240 . . 131 PHE CZ . 18419 1 1384 . 1 1 131 131 PHE N N 15 124.865 0.041 . 1 . 1250 . . 131 PHE N . 18419 1 1385 . 1 1 132 132 GLN H H 1 9.160 0.002 . 1 . 1255 . . 132 GLN H . 18419 1 1386 . 1 1 132 132 GLN HA H 1 4.968 0.005 . 1 . 1256 . . 132 GLN HA . 18419 1 1387 . 1 1 132 132 GLN HB2 H 1 2.162 0.006 . 2 . 1257 . . 132 GLN HB2 . 18419 1 1388 . 1 1 132 132 GLN HB3 H 1 1.719 0.007 . 2 . 1258 . . 132 GLN HB3 . 18419 1 1389 . 1 1 132 132 GLN HG2 H 1 1.935 0.004 . 2 . 1260 . . 132 GLN HG2 . 18419 1 1390 . 1 1 132 132 GLN HG3 H 1 1.907 0.001 . 2 . 1261 . . 132 GLN HG3 . 18419 1 1391 . 1 1 132 132 GLN HE21 H 1 7.449 0.001 . 1 . 1259 . . 132 GLN HE21 . 18419 1 1392 . 1 1 132 132 GLN C C 13 173.465 0.001 . 1 . 1251 . . 132 GLN C . 18419 1 1393 . 1 1 132 132 GLN CA C 13 54.055 0.024 . 1 . 1252 . . 132 GLN CA . 18419 1 1394 . 1 1 132 132 GLN CB C 13 30.193 0.069 . 1 . 1253 . . 132 GLN CB . 18419 1 1395 . 1 1 132 132 GLN CG C 13 33.798 0.031 . 1 . 1254 . . 132 GLN CG . 18419 1 1396 . 1 1 132 132 GLN N N 15 124.477 0.035 . 1 . 1262 . . 132 GLN N . 18419 1 1397 . 1 1 132 132 GLN NE2 N 15 112.220 0.001 . 1 . 1263 . . 132 GLN NE2 . 18419 1 1398 . 1 1 133 133 VAL H H 1 9.525 0.002 . 1 . 1269 . . 133 VAL H . 18419 1 1399 . 1 1 133 133 VAL HA H 1 4.671 0.002 . 1 . 1270 . . 133 VAL HA . 18419 1 1400 . 1 1 133 133 VAL HB H 1 1.875 0.003 . 1 . 1271 . . 133 VAL HB . 18419 1 1401 . 1 1 133 133 VAL HG11 H 1 0.431 0.004 . 2 . 1272 . . 133 VAL HG11 . 18419 1 1402 . 1 1 133 133 VAL HG12 H 1 0.431 0.004 . 2 . 1272 . . 133 VAL HG12 . 18419 1 1403 . 1 1 133 133 VAL HG13 H 1 0.431 0.004 . 2 . 1272 . . 133 VAL HG13 . 18419 1 1404 . 1 1 133 133 VAL HG21 H 1 0.460 0.001 . 2 . 1273 . . 133 VAL HG21 . 18419 1 1405 . 1 1 133 133 VAL HG22 H 1 0.460 0.001 . 2 . 1273 . . 133 VAL HG22 . 18419 1 1406 . 1 1 133 133 VAL HG23 H 1 0.460 0.001 . 2 . 1273 . . 133 VAL HG23 . 18419 1 1407 . 1 1 133 133 VAL C C 13 174.900 0.002 . 1 . 1264 . . 133 VAL C . 18419 1 1408 . 1 1 133 133 VAL CA C 13 61.572 0.025 . 1 . 1265 . . 133 VAL CA . 18419 1 1409 . 1 1 133 133 VAL CB C 13 30.805 0.001 . 1 . 1266 . . 133 VAL CB . 18419 1 1410 . 1 1 133 133 VAL CG1 C 13 20.151 0.001 . 2 . 1267 . . 133 VAL CG1 . 18419 1 1411 . 1 1 133 133 VAL CG2 C 13 22.318 0.001 . 2 . 1268 . . 133 VAL CG2 . 18419 1 1412 . 1 1 133 133 VAL N N 15 128.159 0.012 . 1 . 1274 . . 133 VAL N . 18419 1 1413 . 1 1 134 134 LEU H H 1 9.233 0.002 . 1 . 1281 . . 134 LEU H . 18419 1 1414 . 1 1 134 134 LEU HA H 1 4.738 0.010 . 1 . 1282 . . 134 LEU HA . 18419 1 1415 . 1 1 134 134 LEU HB2 H 1 1.649 0.002 . 2 . 1283 . . 134 LEU HB2 . 18419 1 1416 . 1 1 134 134 LEU HB3 H 1 1.641 0.001 . 2 . 1284 . . 134 LEU HB3 . 18419 1 1417 . 1 1 134 134 LEU HG H 1 1.555 0.001 . 1 . 1287 . . 134 LEU HG . 18419 1 1418 . 1 1 134 134 LEU HD11 H 1 0.822 0.001 . 1 . 1285 . . 134 LEU HD11 . 18419 1 1419 . 1 1 134 134 LEU HD12 H 1 0.822 0.001 . 1 . 1285 . . 134 LEU HD12 . 18419 1 1420 . 1 1 134 134 LEU HD13 H 1 0.822 0.001 . 1 . 1285 . . 134 LEU HD13 . 18419 1 1421 . 1 1 134 134 LEU HD21 H 1 0.822 0.001 . 1 . 1286 . . 134 LEU HD21 . 18419 1 1422 . 1 1 134 134 LEU HD22 H 1 0.822 0.001 . 1 . 1286 . . 134 LEU HD22 . 18419 1 1423 . 1 1 134 134 LEU HD23 H 1 0.822 0.001 . 1 . 1286 . . 134 LEU HD23 . 18419 1 1424 . 1 1 134 134 LEU C C 13 174.957 0.001 . 1 . 1275 . . 134 LEU C . 18419 1 1425 . 1 1 134 134 LEU CA C 13 53.065 0.006 . 1 . 1276 . . 134 LEU CA . 18419 1 1426 . 1 1 134 134 LEU CB C 13 43.292 0.038 . 1 . 1277 . . 134 LEU CB . 18419 1 1427 . 1 1 134 134 LEU CG C 13 28.018 0.001 . 1 . 1280 . . 134 LEU CG . 18419 1 1428 . 1 1 134 134 LEU CD1 C 13 26.023 0.005 . 2 . 1278 . . 134 LEU CD1 . 18419 1 1429 . 1 1 134 134 LEU CD2 C 13 26.033 0.001 . 2 . 1279 . . 134 LEU CD2 . 18419 1 1430 . 1 1 134 134 LEU N N 15 127.679 0.009 . 1 . 1288 . . 134 LEU N . 18419 1 1431 . 1 1 135 135 PRO HA H 1 4.654 0.001 . 1 . 1294 . . 135 PRO HA . 18419 1 1432 . 1 1 135 135 PRO HB2 H 1 1.945 0.002 . 2 . 1295 . . 135 PRO HB2 . 18419 1 1433 . 1 1 135 135 PRO HB3 H 1 2.328 0.001 . 2 . 1296 . . 135 PRO HB3 . 18419 1 1434 . 1 1 135 135 PRO HG2 H 1 2.196 0.002 . 2 . 1299 . . 135 PRO HG2 . 18419 1 1435 . 1 1 135 135 PRO HG3 H 1 2.130 0.012 . 2 . 1300 . . 135 PRO HG3 . 18419 1 1436 . 1 1 135 135 PRO HD2 H 1 3.776 0.001 . 2 . 1297 . . 135 PRO HD2 . 18419 1 1437 . 1 1 135 135 PRO HD3 H 1 3.734 0.011 . 2 . 1298 . . 135 PRO HD3 . 18419 1 1438 . 1 1 135 135 PRO C C 13 176.383 0.001 . 1 . 1289 . . 135 PRO C . 18419 1 1439 . 1 1 135 135 PRO CA C 13 62.947 0.015 . 1 . 1290 . . 135 PRO CA . 18419 1 1440 . 1 1 135 135 PRO CB C 13 31.891 0.001 . 1 . 1291 . . 135 PRO CB . 18419 1 1441 . 1 1 135 135 PRO CG C 13 27.651 0.027 . 1 . 1293 . . 135 PRO CG . 18419 1 1442 . 1 1 135 135 PRO CD C 13 50.127 0.021 . 1 . 1292 . . 135 PRO CD . 18419 1 1443 . 1 1 136 136 LYS H H 1 7.681 0.002 . 1 . 1306 . . 136 LYS H . 18419 1 1444 . 1 1 136 136 LYS HA H 1 4.383 0.001 . 1 . 1307 . . 136 LYS HA . 18419 1 1445 . 1 1 136 136 LYS HB2 H 1 1.532 0.002 . 2 . 1308 . . 136 LYS HB2 . 18419 1 1446 . 1 1 136 136 LYS HB3 H 1 1.181 0.003 . 2 . 1309 . . 136 LYS HB3 . 18419 1 1447 . 1 1 136 136 LYS HG2 H 1 1.412 0.001 . 2 . 1312 . . 136 LYS HG2 . 18419 1 1448 . 1 1 136 136 LYS HG3 H 1 1.444 0.001 . 2 . 1313 . . 136 LYS HG3 . 18419 1 1449 . 1 1 136 136 LYS HE2 H 1 2.774 0.002 . 2 . 1310 . . 136 LYS HE2 . 18419 1 1450 . 1 1 136 136 LYS HE3 H 1 2.767 0.001 . 2 . 1311 . . 136 LYS HE3 . 18419 1 1451 . 1 1 136 136 LYS C C 13 175.583 0.001 . 1 . 1301 . . 136 LYS C . 18419 1 1452 . 1 1 136 136 LYS CA C 13 54.994 0.029 . 1 . 1302 . . 136 LYS CA . 18419 1 1453 . 1 1 136 136 LYS CB C 13 34.458 0.036 . 1 . 1303 . . 136 LYS CB . 18419 1 1454 . 1 1 136 136 LYS CG C 13 28.998 0.048 . 1 . 1305 . . 136 LYS CG . 18419 1 1455 . 1 1 136 136 LYS CE C 13 41.762 0.001 . 1 . 1304 . . 136 LYS CE . 18419 1 1456 . 1 1 136 136 LYS N N 15 122.983 0.008 . 1 . 1314 . . 136 LYS N . 18419 1 1457 . 1 1 137 137 LYS H H 1 8.497 0.002 . 1 . 1320 . . 137 LYS H . 18419 1 1458 . 1 1 137 137 LYS HA H 1 4.213 0.002 . 1 . 1321 . . 137 LYS HA . 18419 1 1459 . 1 1 137 137 LYS HB2 H 1 1.748 0.013 . 2 . 1322 . . 137 LYS HB2 . 18419 1 1460 . 1 1 137 137 LYS HB3 H 1 1.690 0.001 . 2 . 1323 . . 137 LYS HB3 . 18419 1 1461 . 1 1 137 137 LYS HG2 H 1 1.378 0.003 . 2 . 1326 . . 137 LYS HG2 . 18419 1 1462 . 1 1 137 137 LYS HG3 H 1 1.373 0.001 . 2 . 1327 . . 137 LYS HG3 . 18419 1 1463 . 1 1 137 137 LYS HE2 H 1 2.924 0.001 . 2 . 1324 . . 137 LYS HE2 . 18419 1 1464 . 1 1 137 137 LYS HE3 H 1 2.915 0.001 . 2 . 1325 . . 137 LYS HE3 . 18419 1 1465 . 1 1 137 137 LYS C C 13 175.568 0.001 . 1 . 1315 . . 137 LYS C . 18419 1 1466 . 1 1 137 137 LYS CA C 13 56.671 0.015 . 1 . 1316 . . 137 LYS CA . 18419 1 1467 . 1 1 137 137 LYS CB C 13 32.999 0.049 . 1 . 1317 . . 137 LYS CB . 18419 1 1468 . 1 1 137 137 LYS CG C 13 24.638 0.024 . 1 . 1319 . . 137 LYS CG . 18419 1 1469 . 1 1 137 137 LYS CE C 13 42.111 0.001 . 1 . 1318 . . 137 LYS CE . 18419 1 1470 . 1 1 137 137 LYS N N 15 125.151 0.005 . 1 . 1328 . . 137 LYS N . 18419 1 1471 . 1 1 138 138 GLN H H 1 7.975 0.002 . 1 . 1333 . . 138 GLN H . 18419 1 1472 . 1 1 138 138 GLN HA H 1 4.046 0.002 . 1 . 1334 . . 138 GLN HA . 18419 1 1473 . 1 1 138 138 GLN HB2 H 1 1.836 0.005 . 2 . 1335 . . 138 GLN HB2 . 18419 1 1474 . 1 1 138 138 GLN HB3 H 1 1.982 0.002 . 2 . 1336 . . 138 GLN HB3 . 18419 1 1475 . 1 1 138 138 GLN HG2 H 1 2.199 0.001 . 2 . 1339 . . 138 GLN HG2 . 18419 1 1476 . 1 1 138 138 GLN HG3 H 1 2.191 0.001 . 2 . 1340 . . 138 GLN HG3 . 18419 1 1477 . 1 1 138 138 GLN HE21 H 1 7.443 0.001 . 1 . 1337 . . 138 GLN HE21 . 18419 1 1478 . 1 1 138 138 GLN HE22 H 1 6.763 0.001 . 1 . 1338 . . 138 GLN HE22 . 18419 1 1479 . 1 1 138 138 GLN C C 13 180.253 0.001 . 1 . 1329 . . 138 GLN C . 18419 1 1480 . 1 1 138 138 GLN CA C 13 57.407 0.012 . 1 . 1330 . . 138 GLN CA . 18419 1 1481 . 1 1 138 138 GLN CB C 13 30.402 0.042 . 1 . 1331 . . 138 GLN CB . 18419 1 1482 . 1 1 138 138 GLN CG C 13 34.231 0.054 . 1 . 1332 . . 138 GLN CG . 18419 1 1483 . 1 1 138 138 GLN N N 15 126.676 0.01 . 1 . 1341 . . 138 GLN N . 18419 1 1484 . 1 1 138 138 GLN NE2 N 15 112.007 0.013 . 1 . 1342 . . 138 GLN NE2 . 18419 1 stop_ save_