data_19819 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19819 _Entry.Title ; Murine Neuroglobin, Fe3+ form, liganded to cyanide (cyanometNgB) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-26 _Entry.Accession_date 2014-02-26 _Entry.Last_release_date 2015-03-05 _Entry.Original_release_date 2015-03-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; ngbkcn_formA corresponds to the minor form (30%, form A), ngbkcn_formB corresponds to the major form (70%, form B). These two forms correspond to a 180 reorientation of the heme. ; _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 'Yin Shan' Yang . . . 19819 2 Frederic Allemand . . . 19819 3 Ewelina Guca . . . 19819 4 Beatrice Vallone . . . 19819 5 Stephane Delbecq . . . 19819 6 Christian Roumestand . . . 19819 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Centre de Biochimie Structurale' . 19819 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 19819 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 849 19819 '15N chemical shifts' 272 19819 '1H chemical shifts' 579 19819 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 . . 2015-03-05 . original BMRB . 19819 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19818 metNgb 19819 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19819 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C Backbone resonance assignments of murine met-Neuroglobin, free and in complex with cyanide. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 'Yin Shan' Yang . . . 19819 1 2 Frederic Allemand . . . 19819 1 3 Ewelina Guca . . . 19819 1 4 Beatrice Vallone . . . 19819 1 5 Stephane Delbecq . . . 19819 1 6 Christian Roumestand . . . 19819 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Heme orientation' 19819 1 'Ligand binding' 19819 1 Neuroglobin 19819 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19819 _Assembly.ID 1 _Assembly.Name cyanometNgb _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 cyanometNgb 1 $cyanometNgb A . yes native yes yes . . 'The two forms correspond to two different orientations of the heme.' 19819 1 2 'cyanide ion' 2 $entity_CYN A . . . . . . . . 19819 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cyanometNgb _Entity.Sf_category entity _Entity.Sf_framecode cyanometNgb _Entity.Entry_ID 19819 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cyanometNgb _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MERPESELIRQSWRVVSRSP LEHGTVLFARLFALEPSLLP LFQYNGRQFSSPEDSLSSPE FLDHIRKVMLVIDAAVTNVE DLSSLEEYLTSLGRKHRAVG VRLSSFSTVGESLLYMLEKS LGPDFTPATRTAWSRLYGAV VQAMSRGWDGE ; _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 yes _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 151 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; ngbkcn_formA corresponds to the minor form (30%, form A), ngbkcn_formB corresponds to the major form (70%, form B). These two forms correspond to a 180 reorientation of the heme. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19818 . metNgb . . . . . 100.00 151 100.00 100.00 1.00e-102 . . . . 19819 1 2 no PDB 1Q1F . "Crystal Structure Of Murine Neuroglobin" . . . . . 100.00 151 100.00 100.00 1.00e-102 . . . . 19819 1 3 no PDB 1W92 . "The Structure Of Carbomonoxy Murine Neuroglobin Reveals A Heme-Sliding Mechanism For Affinity Regulation" . . . . . 100.00 151 100.00 100.00 1.00e-102 . . . . 19819 1 4 no PDB 2VRY . "Mouse Neuroglobin With Heme Iron In The Reduced Ferrous State" . . . . . 100.00 154 100.00 100.00 1.30e-102 . . . . 19819 1 5 no PDB 3GK9 . "Crystal Structure Of Murine Ngb Under Xe Pressure" . . . . . 100.00 154 100.00 100.00 1.30e-102 . . . . 19819 1 6 no PDB 3GKT . "Crystal Structure Of Murine Neuroglobin Under Kr Pressure" . . . . . 100.00 154 100.00 100.00 1.30e-102 . . . . 19819 1 7 no PDB 3GLN . "Carbonmonoxy Ngb Under Xenon Pressure" . . . . . 100.00 154 100.00 100.00 1.30e-102 . . . . 19819 1 8 no PDB 4MU5 . "Crystal Structure Of Murine Neuroglobin Mutant M144w" . . . . . 100.00 154 99.34 99.34 3.71e-101 . . . . 19819 1 9 no PDB 4NZI . "Crystal Structure Of Murine Neuroglobin Mutant V140w" . . . . . 100.00 154 99.34 99.34 3.08e-101 . . . . 19819 1 10 no PDB 4O1T . "Crystal Structure Of Murine Neuroglobin Mutant F106w" . . . . . 100.00 154 99.34 100.00 1.60e-101 . . . . 19819 1 11 no PDB 4O2G . "Crystal Structure Of Carbomonoxy Murine Neuroglobin Mutant V140w" . . . . . 100.00 154 99.34 99.34 3.08e-101 . . . . 19819 1 12 no PDB 4O35 . "Crystal Structure Of Carbomonoxy Murine Neuroglobin Mutant F106w" . . . . . 100.00 154 99.34 100.00 1.60e-101 . . . . 19819 1 13 no PDB 4O4T . "Murine Neuroglobin Under Xenon Pressure 30 Bar" . . . . . 100.00 154 100.00 100.00 1.30e-102 . . . . 19819 1 14 no PDB 4O4Z . "Murine Neuroglobin Under 30 Bar Pressure Nitrous Oxide" . . . . . 100.00 154 100.00 100.00 1.30e-102 . . . . 19819 1 15 no DBJ BAE38375 . "unnamed protein product [Mus musculus]" . . . . . 100.00 151 98.68 98.68 6.87e-102 . . . . 19819 1 16 no EMBL CAC11135 . "neuroglobin [Mus musculus]" . . . . . 100.00 151 98.68 98.68 6.87e-102 . . . . 19819 1 17 no EMBL CAE30466 . "neuroglobin [Mus musculus]" . . . . . 100.00 151 98.68 98.68 6.87e-102 . . . . 19819 1 18 no GB AAH24263 . "Neuroglobin [Mus musculus]" . . . . . 100.00 151 98.68 98.68 6.87e-102 . . . . 19819 1 19 no GB EDL02920 . "neuroglobin [Mus musculus]" . . . . . 100.00 151 98.68 98.68 6.87e-102 . . . . 19819 1 20 no REF NP_071859 . "neuroglobin isoform 2 [Mus musculus]" . . . . . 100.00 151 98.68 98.68 6.87e-102 . . . . 19819 1 21 no SP Q9ER97 . "RecName: Full=Neuroglobin" . . . . . 100.00 151 98.68 98.68 6.87e-102 . . . . 19819 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 1 MET . 19819 1 2 2 GLU . 19819 1 3 3 ARG . 19819 1 4 4 PRO . 19819 1 5 5 GLU . 19819 1 6 6 SER . 19819 1 7 7 GLU . 19819 1 8 8 LEU . 19819 1 9 9 ILE . 19819 1 10 10 ARG . 19819 1 11 11 GLN . 19819 1 12 12 SER . 19819 1 13 13 TRP . 19819 1 14 14 ARG . 19819 1 15 15 VAL . 19819 1 16 16 VAL . 19819 1 17 17 SER . 19819 1 18 18 ARG . 19819 1 19 19 SER . 19819 1 20 20 PRO . 19819 1 21 21 LEU . 19819 1 22 22 GLU . 19819 1 23 23 HIS . 19819 1 24 24 GLY . 19819 1 25 25 THR . 19819 1 26 26 VAL . 19819 1 27 27 LEU . 19819 1 28 28 PHE . 19819 1 29 29 ALA . 19819 1 30 30 ARG . 19819 1 31 31 LEU . 19819 1 32 32 PHE . 19819 1 33 33 ALA . 19819 1 34 34 LEU . 19819 1 35 35 GLU . 19819 1 36 36 PRO . 19819 1 37 37 SER . 19819 1 38 38 LEU . 19819 1 39 39 LEU . 19819 1 40 40 PRO . 19819 1 41 41 LEU . 19819 1 42 42 PHE . 19819 1 43 43 GLN . 19819 1 44 44 TYR . 19819 1 45 45 ASN . 19819 1 46 46 GLY . 19819 1 47 47 ARG . 19819 1 48 48 GLN . 19819 1 49 49 PHE . 19819 1 50 50 SER . 19819 1 51 51 SER . 19819 1 52 52 PRO . 19819 1 53 53 GLU . 19819 1 54 54 ASP . 19819 1 55 55 SER . 19819 1 56 56 LEU . 19819 1 57 57 SER . 19819 1 58 58 SER . 19819 1 59 59 PRO . 19819 1 60 60 GLU . 19819 1 61 61 PHE . 19819 1 62 62 LEU . 19819 1 63 63 ASP . 19819 1 64 64 HIS . 19819 1 65 65 ILE . 19819 1 66 66 ARG . 19819 1 67 67 LYS . 19819 1 68 68 VAL . 19819 1 69 69 MET . 19819 1 70 70 LEU . 19819 1 71 71 VAL . 19819 1 72 72 ILE . 19819 1 73 73 ASP . 19819 1 74 74 ALA . 19819 1 75 75 ALA . 19819 1 76 76 VAL . 19819 1 77 77 THR . 19819 1 78 78 ASN . 19819 1 79 79 VAL . 19819 1 80 80 GLU . 19819 1 81 81 ASP . 19819 1 82 82 LEU . 19819 1 83 83 SER . 19819 1 84 84 SER . 19819 1 85 85 LEU . 19819 1 86 86 GLU . 19819 1 87 87 GLU . 19819 1 88 88 TYR . 19819 1 89 89 LEU . 19819 1 90 90 THR . 19819 1 91 91 SER . 19819 1 92 92 LEU . 19819 1 93 93 GLY . 19819 1 94 94 ARG . 19819 1 95 95 LYS . 19819 1 96 96 HIS . 19819 1 97 97 ARG . 19819 1 98 98 ALA . 19819 1 99 99 VAL . 19819 1 100 100 GLY . 19819 1 101 101 VAL . 19819 1 102 102 ARG . 19819 1 103 103 LEU . 19819 1 104 104 SER . 19819 1 105 105 SER . 19819 1 106 106 PHE . 19819 1 107 107 SER . 19819 1 108 108 THR . 19819 1 109 109 VAL . 19819 1 110 110 GLY . 19819 1 111 111 GLU . 19819 1 112 112 SER . 19819 1 113 113 LEU . 19819 1 114 114 LEU . 19819 1 115 115 TYR . 19819 1 116 116 MET . 19819 1 117 117 LEU . 19819 1 118 118 GLU . 19819 1 119 119 LYS . 19819 1 120 120 SER . 19819 1 121 121 LEU . 19819 1 122 122 GLY . 19819 1 123 123 PRO . 19819 1 124 124 ASP . 19819 1 125 125 PHE . 19819 1 126 126 THR . 19819 1 127 127 PRO . 19819 1 128 128 ALA . 19819 1 129 129 THR . 19819 1 130 130 ARG . 19819 1 131 131 THR . 19819 1 132 132 ALA . 19819 1 133 133 TRP . 19819 1 134 134 SER . 19819 1 135 135 ARG . 19819 1 136 136 LEU . 19819 1 137 137 TYR . 19819 1 138 138 GLY . 19819 1 139 139 ALA . 19819 1 140 140 VAL . 19819 1 141 141 VAL . 19819 1 142 142 GLN . 19819 1 143 143 ALA . 19819 1 144 144 MET . 19819 1 145 145 SER . 19819 1 146 146 ARG . 19819 1 147 147 GLY . 19819 1 148 148 TRP . 19819 1 149 149 ASP . 19819 1 150 150 GLY . 19819 1 151 151 GLU . 19819 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 19819 1 . GLU 2 2 19819 1 . ARG 3 3 19819 1 . PRO 4 4 19819 1 . GLU 5 5 19819 1 . SER 6 6 19819 1 . GLU 7 7 19819 1 . LEU 8 8 19819 1 . ILE 9 9 19819 1 . ARG 10 10 19819 1 . GLN 11 11 19819 1 . SER 12 12 19819 1 . TRP 13 13 19819 1 . ARG 14 14 19819 1 . VAL 15 15 19819 1 . VAL 16 16 19819 1 . SER 17 17 19819 1 . ARG 18 18 19819 1 . SER 19 19 19819 1 . PRO 20 20 19819 1 . LEU 21 21 19819 1 . GLU 22 22 19819 1 . HIS 23 23 19819 1 . GLY 24 24 19819 1 . THR 25 25 19819 1 . VAL 26 26 19819 1 . LEU 27 27 19819 1 . PHE 28 28 19819 1 . ALA 29 29 19819 1 . ARG 30 30 19819 1 . LEU 31 31 19819 1 . PHE 32 32 19819 1 . ALA 33 33 19819 1 . LEU 34 34 19819 1 . GLU 35 35 19819 1 . PRO 36 36 19819 1 . SER 37 37 19819 1 . LEU 38 38 19819 1 . LEU 39 39 19819 1 . PRO 40 40 19819 1 . LEU 41 41 19819 1 . PHE 42 42 19819 1 . GLN 43 43 19819 1 . TYR 44 44 19819 1 . ASN 45 45 19819 1 . GLY 46 46 19819 1 . ARG 47 47 19819 1 . GLN 48 48 19819 1 . PHE 49 49 19819 1 . SER 50 50 19819 1 . SER 51 51 19819 1 . PRO 52 52 19819 1 . GLU 53 53 19819 1 . ASP 54 54 19819 1 . SER 55 55 19819 1 . LEU 56 56 19819 1 . SER 57 57 19819 1 . SER 58 58 19819 1 . PRO 59 59 19819 1 . GLU 60 60 19819 1 . PHE 61 61 19819 1 . LEU 62 62 19819 1 . ASP 63 63 19819 1 . HIS 64 64 19819 1 . ILE 65 65 19819 1 . ARG 66 66 19819 1 . LYS 67 67 19819 1 . VAL 68 68 19819 1 . MET 69 69 19819 1 . LEU 70 70 19819 1 . VAL 71 71 19819 1 . ILE 72 72 19819 1 . ASP 73 73 19819 1 . ALA 74 74 19819 1 . ALA 75 75 19819 1 . VAL 76 76 19819 1 . THR 77 77 19819 1 . ASN 78 78 19819 1 . VAL 79 79 19819 1 . GLU 80 80 19819 1 . ASP 81 81 19819 1 . LEU 82 82 19819 1 . SER 83 83 19819 1 . SER 84 84 19819 1 . LEU 85 85 19819 1 . GLU 86 86 19819 1 . GLU 87 87 19819 1 . TYR 88 88 19819 1 . LEU 89 89 19819 1 . THR 90 90 19819 1 . SER 91 91 19819 1 . LEU 92 92 19819 1 . GLY 93 93 19819 1 . ARG 94 94 19819 1 . LYS 95 95 19819 1 . HIS 96 96 19819 1 . ARG 97 97 19819 1 . ALA 98 98 19819 1 . VAL 99 99 19819 1 . GLY 100 100 19819 1 . VAL 101 101 19819 1 . ARG 102 102 19819 1 . LEU 103 103 19819 1 . SER 104 104 19819 1 . SER 105 105 19819 1 . PHE 106 106 19819 1 . SER 107 107 19819 1 . THR 108 108 19819 1 . VAL 109 109 19819 1 . GLY 110 110 19819 1 . GLU 111 111 19819 1 . SER 112 112 19819 1 . LEU 113 113 19819 1 . LEU 114 114 19819 1 . TYR 115 115 19819 1 . MET 116 116 19819 1 . LEU 117 117 19819 1 . GLU 118 118 19819 1 . LYS 119 119 19819 1 . SER 120 120 19819 1 . LEU 121 121 19819 1 . GLY 122 122 19819 1 . PRO 123 123 19819 1 . ASP 124 124 19819 1 . PHE 125 125 19819 1 . THR 126 126 19819 1 . PRO 127 127 19819 1 . ALA 128 128 19819 1 . THR 129 129 19819 1 . ARG 130 130 19819 1 . THR 131 131 19819 1 . ALA 132 132 19819 1 . TRP 133 133 19819 1 . SER 134 134 19819 1 . ARG 135 135 19819 1 . LEU 136 136 19819 1 . TYR 137 137 19819 1 . GLY 138 138 19819 1 . ALA 139 139 19819 1 . VAL 140 140 19819 1 . VAL 141 141 19819 1 . GLN 142 142 19819 1 . ALA 143 143 19819 1 . MET 144 144 19819 1 . SER 145 145 19819 1 . ARG 146 146 19819 1 . GLY 147 147 19819 1 . TRP 148 148 19819 1 . ASP 149 149 19819 1 . GLY 150 150 19819 1 . GLU 151 151 19819 1 stop_ save_ save_entity_CYN _Entity.Sf_category entity _Entity.Sf_framecode entity_CYN _Entity.Entry_ID 19819 _Entity.ID 2 _Entity.BMRB_code CYN _Entity.Name 'CYANIDE ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CYN _Entity.Nonpolymer_comp_label $chem_comp_CYN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 26.017 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CYANIDE ION' BMRB 19819 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CYANIDE ION' BMRB 19819 2 CYN 'Three letter code' 19819 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CYN $chem_comp_CYN 19819 2 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 19819 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $cyanometNgb . 10090 organism . 'Mus musculus' 'House mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 19819 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 19819 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $cyanometNgb . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET15b-tev . . . 19819 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CYN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CYN _Chem_comp.Entry_ID 19819 _Chem_comp.ID CYN _Chem_comp.Provenance PDB _Chem_comp.Name 'CYANIDE ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CYN _Chem_comp.PDB_code CYN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces CN _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CYN _Chem_comp.Number_atoms_all 2 _Chem_comp.Number_atoms_nh 2 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/CN/c1-2/q-1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge -1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C N' _Chem_comp.Formula_weight 26.017 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1B0B _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/CN/c1-2/q-1 InChI InChI 1.03 19819 CYN XFXPMWWXUTWYJX-UHFFFAOYSA-N InChIKey InChI 1.03 19819 CYN [C-]#N SMILES ACDLabs 10.04 19819 CYN [C-]#N SMILES CACTVS 3.341 19819 CYN [C-]#N SMILES 'OpenEye OEToolkits' 1.5.0 19819 CYN [C-]#N SMILES_CANONICAL CACTVS 3.341 19819 CYN [C-]#N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19819 CYN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID cyanide 'SYSTEMATIC NAME' ACDLabs 10.04 19819 CYN cyanide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19819 CYN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C C C C . C . . N -1 . . . 1 no no . . . . 6.708 . -5.042 . 17.519 . 0.000 0.000 -0.611 1 . 19819 CYN N N N N . N . . N 0 . . . 1 no no . . . . 6.693 . -5.522 . 16.471 . 0.000 0.000 0.524 2 . 19819 CYN stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . TRIP C N no N 1 . 19819 CYN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19819 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 cyanometNgb '[U-100% 13C; U-100% 15N]' . . 1 $cyanometNgb . . 0.3 . . mM . . . . 19819 1 2 'Tris, HCl' 'natural abundance' . . . . . . 50 . . mM . . . . 19819 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19819 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19819 1 5 PMSF 'natural abundance' . . . . . . 0.05 . . mM . . . . 19819 1 6 DSS 'natural abundance' . . . . . . 0.05 . . mM . . . . 19819 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 19819 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 19819 1 pressure ambient . atm 19819 1 temperature 298 . K 19819 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19819 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19819 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19819 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19819 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19819 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19819 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19819 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19819 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 19819 1 2 spectrometer_2 Bruker Avance . 700 . . . 19819 1 3 spectrometer_3 Bruker Avance . 700 . . . 19819 1 4 spectrometer_4 Bruker Avance . 700 . . . 19819 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 19819 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19819 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19819 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19819 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19819 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19819 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19819 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19819 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19819 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19819 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19819 1 stop_ 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 19819 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19819 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19819 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19819 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19819 _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 'ngbkcn_formB corresponds to the major form (70%, form B)' _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 2 '3D 1H-15N NOESY' . . . 19819 1 5 '3D HNCACB' . . . 19819 1 7 '3D HNCO' . . . 19819 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 3 3 ARG H H 1 8.837 0.01 . 1 . . . . 3 ARG H . 19819 1 2 . 1 1 3 3 ARG N N 15 122.82 0.01 . 1 . . . . 3 ARG N . 19819 1 3 . 1 1 5 5 GLU HA H 1 3.932 0.01 . 1 . . . . 5 GLU HA . 19819 1 4 . 1 1 5 5 GLU C C 13 178.03 0.01 . 1 . . . . 5 GLU C . 19819 1 5 . 1 1 5 5 GLU CA C 13 59.55 0.01 . 1 . . . . 5 GLU CA . 19819 1 6 . 1 1 5 5 GLU CB C 13 29.43 0.01 . 1 . . . . 5 GLU CB . 19819 1 7 . 1 1 6 6 SER H H 1 8.184 0.01 . 1 . . . . 6 SER H . 19819 1 8 . 1 1 6 6 SER HA H 1 3.790 0.01 . 1 . . . . 6 SER HA . 19819 1 9 . 1 1 6 6 SER C C 13 176.41 0.01 . 1 . . . . 6 SER C . 19819 1 10 . 1 1 6 6 SER CA C 13 61.98 0.01 . 1 . . . . 6 SER CA . 19819 1 11 . 1 1 6 6 SER CB C 13 61.98 0.01 . 1 . . . . 6 SER CB . 19819 1 12 . 1 1 6 6 SER N N 15 116.62 0.01 . 1 . . . . 6 SER N . 19819 1 13 . 1 1 7 7 GLU H H 1 7.963 0.01 . 1 . . . . 7 GLU H . 19819 1 14 . 1 1 7 7 GLU HA H 1 4.163 0.01 . 1 . . . . 7 GLU HA . 19819 1 15 . 1 1 7 7 GLU C C 13 178.90 0.01 . 1 . . . . 7 GLU C . 19819 1 16 . 1 1 7 7 GLU CA C 13 58.93 0.01 . 1 . . . . 7 GLU CA . 19819 1 17 . 1 1 7 7 GLU CB C 13 29.47 0.01 . 1 . . . . 7 GLU CB . 19819 1 18 . 1 1 7 7 GLU N N 15 121.44 0.01 . 1 . . . . 7 GLU N . 19819 1 19 . 1 1 8 8 LEU H H 1 7.481 0.01 . 1 . . . . 8 LEU H . 19819 1 20 . 1 1 8 8 LEU HA H 1 4.191 0.01 . 1 . . . . 8 LEU HA . 19819 1 21 . 1 1 8 8 LEU C C 13 181.98 0.01 . 1 . . . . 8 LEU C . 19819 1 22 . 1 1 8 8 LEU CA C 13 57.62 0.01 . 1 . . . . 8 LEU CA . 19819 1 23 . 1 1 8 8 LEU CB C 13 41.50 0.01 . 1 . . . . 8 LEU CB . 19819 1 24 . 1 1 8 8 LEU N N 15 118.28 0.01 . 1 . . . . 8 LEU N . 19819 1 25 . 1 1 9 9 ILE H H 1 7.768 0.01 . 1 . . . . 9 ILE H . 19819 1 26 . 1 1 9 9 ILE HA H 1 3.412 0.01 . 1 . . . . 9 ILE HA . 19819 1 27 . 1 1 9 9 ILE C C 13 177.20 0.01 . 1 . . . . 9 ILE C . 19819 1 28 . 1 1 9 9 ILE CA C 13 64.04 0.01 . 1 . . . . 9 ILE CA . 19819 1 29 . 1 1 9 9 ILE CB C 13 36.89 0.01 . 1 . . . . 9 ILE CB . 19819 1 30 . 1 1 9 9 ILE N N 15 121.69 0.01 . 1 . . . . 9 ILE N . 19819 1 31 . 1 1 10 10 ARG H H 1 8.329 0.01 . 1 . . . . 10 ARG H . 19819 1 32 . 1 1 10 10 ARG HA H 1 3.878 0.01 . 1 . . . . 10 ARG HA . 19819 1 33 . 1 1 10 10 ARG C C 13 180.00 0.01 . 1 . . . . 10 ARG C . 19819 1 34 . 1 1 10 10 ARG CA C 13 61.19 0.01 . 1 . . . . 10 ARG CA . 19819 1 35 . 1 1 10 10 ARG CB C 13 30.72 0.01 . 1 . . . . 10 ARG CB . 19819 1 36 . 1 1 10 10 ARG N N 15 118.98 0.01 . 1 . . . . 10 ARG N . 19819 1 37 . 1 1 11 11 GLN H H 1 8.682 0.01 . 1 . . . . 11 GLN H . 19819 1 38 . 1 1 11 11 GLN HA H 1 4.145 0.01 . 1 . . . . 11 GLN HA . 19819 1 39 . 1 1 11 11 GLN C C 13 178.83 0.01 . 1 . . . . 11 GLN C . 19819 1 40 . 1 1 11 11 GLN CA C 13 59.10 0.01 . 1 . . . . 11 GLN CA . 19819 1 41 . 1 1 11 11 GLN CB C 13 28.49 0.01 . 1 . . . . 11 GLN CB . 19819 1 42 . 1 1 11 11 GLN N N 15 116.65 0.01 . 1 . . . . 11 GLN N . 19819 1 43 . 1 1 12 12 SER H H 1 7.841 0.01 . 1 . . . . 12 SER H . 19819 1 44 . 1 1 12 12 SER HA H 1 4.516 0.01 . 1 . . . . 12 SER HA . 19819 1 45 . 1 1 12 12 SER C C 13 176.77 0.01 . 1 . . . . 12 SER C . 19819 1 46 . 1 1 12 12 SER CA C 13 60.82 0.01 . 1 . . . . 12 SER CA . 19819 1 47 . 1 1 12 12 SER CB C 13 64.21 0.01 . 1 . . . . 12 SER CB . 19819 1 48 . 1 1 12 12 SER N N 15 113.35 0.01 . 1 . . . . 12 SER N . 19819 1 49 . 1 1 13 13 TRP H H 1 9.051 0.01 . 1 . . . . 13 TRP H . 19819 1 50 . 1 1 13 13 TRP HA H 1 4.830 0.01 . 1 . . . . 13 TRP HA . 19819 1 51 . 1 1 13 13 TRP C C 13 177.75 0.01 . 1 . . . . 13 TRP C . 19819 1 52 . 1 1 13 13 TRP CA C 13 58.69 0.01 . 1 . . . . 13 TRP CA . 19819 1 53 . 1 1 13 13 TRP CB C 13 31.50 0.01 . 1 . . . . 13 TRP CB . 19819 1 54 . 1 1 13 13 TRP N N 15 123.43 0.01 . 1 . . . . 13 TRP N . 19819 1 55 . 1 1 14 14 ARG H H 1 7.857 0.01 . 1 . . . . 14 ARG H . 19819 1 56 . 1 1 14 14 ARG HA H 1 3.910 0.01 . 1 . . . . 14 ARG HA . 19819 1 57 . 1 1 14 14 ARG C C 13 178.37 0.01 . 1 . . . . 14 ARG C . 19819 1 58 . 1 1 14 14 ARG CA C 13 59.64 0.01 . 1 . . . . 14 ARG CA . 19819 1 59 . 1 1 14 14 ARG CB C 13 30.10 0.01 . 1 . . . . 14 ARG CB . 19819 1 60 . 1 1 14 14 ARG N N 15 118.03 0.01 . 1 . . . . 14 ARG N . 19819 1 61 . 1 1 15 15 VAL H H 1 7.048 0.01 . 1 . . . . 15 VAL H . 19819 1 62 . 1 1 15 15 VAL HA H 1 3.572 0.01 . 1 . . . . 15 VAL HA . 19819 1 63 . 1 1 15 15 VAL C C 13 178.58 0.01 . 1 . . . . 15 VAL C . 19819 1 64 . 1 1 15 15 VAL CA C 13 66.18 0.01 . 1 . . . . 15 VAL CA . 19819 1 65 . 1 1 15 15 VAL CB C 13 32.02 0.01 . 1 . . . . 15 VAL CB . 19819 1 66 . 1 1 15 15 VAL N N 15 116.76 0.01 . 1 . . . . 15 VAL N . 19819 1 67 . 1 1 16 16 VAL H H 1 6.843 0.01 . 1 . . . . 16 VAL H . 19819 1 68 . 1 1 16 16 VAL HA H 1 2.790 0.01 . 1 . . . . 16 VAL HA . 19819 1 69 . 1 1 16 16 VAL C C 13 178.01 0.01 . 1 . . . . 16 VAL C . 19819 1 70 . 1 1 16 16 VAL CA C 13 64.65 0.01 . 1 . . . . 16 VAL CA . 19819 1 71 . 1 1 16 16 VAL CB C 13 31.49 0.01 . 1 . . . . 16 VAL CB . 19819 1 72 . 1 1 16 16 VAL N N 15 120.38 0.01 . 1 . . . . 16 VAL N . 19819 1 73 . 1 1 17 17 SER H H 1 8.065 0.01 . 1 . . . . 17 SER H . 19819 1 74 . 1 1 17 17 SER HA H 1 3.388 0.01 . 1 . . . . 17 SER HA . 19819 1 75 . 1 1 17 17 SER C C 13 174.42 0.01 . 1 . . . . 17 SER C . 19819 1 76 . 1 1 17 17 SER CA C 13 60.52 0.01 . 1 . . . . 17 SER CA . 19819 1 77 . 1 1 17 17 SER CB C 13 62.72 0.01 . 1 . . . . 17 SER CB . 19819 1 78 . 1 1 17 17 SER N N 15 111.74 0.01 . 1 . . . . 17 SER N . 19819 1 79 . 1 1 18 18 ARG H H 1 6.946 0.01 . 1 . . . . 18 ARG H . 19819 1 80 . 1 1 18 18 ARG HA H 1 4.186 0.01 . 1 . . . . 18 ARG HA . 19819 1 81 . 1 1 18 18 ARG C C 13 177.74 0.01 . 1 . . . . 18 ARG C . 19819 1 82 . 1 1 18 18 ARG CA C 13 58.30 0.01 . 1 . . . . 18 ARG CA . 19819 1 83 . 1 1 18 18 ARG CB C 13 30.79 0.01 . 1 . . . . 18 ARG CB . 19819 1 84 . 1 1 18 18 ARG N N 15 119.65 0.01 . 1 . . . . 18 ARG N . 19819 1 85 . 1 1 19 19 SER H H 1 7.541 0.01 . 1 . . . . 19 SER H . 19819 1 86 . 1 1 19 19 SER HA H 1 4.849 0.01 . 1 . . . . 19 SER HA . 19819 1 87 . 1 1 19 19 SER CA C 13 55.24 0.01 . 1 . . . . 19 SER CA . 19819 1 88 . 1 1 19 19 SER CB C 13 62.85 0.01 . 1 . . . . 19 SER CB . 19819 1 89 . 1 1 19 19 SER N N 15 110.11 0.01 . 1 . . . . 19 SER N . 19819 1 90 . 1 1 22 22 GLU HA H 1 4.055 0.01 . 1 . . . . 22 GLU HA . 19819 1 91 . 1 1 22 22 GLU C C 13 180.02 0.01 . 1 . . . . 22 GLU C . 19819 1 92 . 1 1 22 22 GLU CA C 13 60.17 0.01 . 1 . . . . 22 GLU CA . 19819 1 93 . 1 1 22 22 GLU CB C 13 29.08 0.01 . 1 . . . . 22 GLU CB . 19819 1 94 . 1 1 23 23 HIS H H 1 7.670 0.01 . 1 . . . . 23 HIS H . 19819 1 95 . 1 1 23 23 HIS HA H 1 4.597 0.01 . 1 . . . . 23 HIS HA . 19819 1 96 . 1 1 23 23 HIS C C 13 178.32 0.01 . 1 . . . . 23 HIS C . 19819 1 97 . 1 1 23 23 HIS CA C 13 60.55 0.01 . 1 . . . . 23 HIS CA . 19819 1 98 . 1 1 23 23 HIS CB C 13 30.06 0.01 . 1 . . . . 23 HIS CB . 19819 1 99 . 1 1 23 23 HIS N N 15 117.85 0.01 . 1 . . . . 23 HIS N . 19819 1 100 . 1 1 24 24 GLY H H 1 9.191 0.01 . 1 . . . . 24 GLY H . 19819 1 101 . 1 1 24 24 GLY HA2 H 1 4.600 0.01 . 2 . . . . 24 GLY HA2 . 19819 1 102 . 1 1 24 24 GLY HA3 H 1 4.293 0.01 . 2 . . . . 24 GLY HA3 . 19819 1 103 . 1 1 24 24 GLY C C 13 176.60 0.01 . 1 . . . . 24 GLY C . 19819 1 104 . 1 1 24 24 GLY CA C 13 48.53 0.01 . 1 . . . . 24 GLY CA . 19819 1 105 . 1 1 24 24 GLY N N 15 110.17 0.01 . 1 . . . . 24 GLY N . 19819 1 106 . 1 1 25 25 THR H H 1 8.702 0.01 . 1 . . . . 25 THR H . 19819 1 107 . 1 1 25 25 THR HA H 1 4.575 0.01 . 1 . . . . 25 THR HA . 19819 1 108 . 1 1 25 25 THR C C 13 176.26 0.01 . 1 . . . . 25 THR C . 19819 1 109 . 1 1 25 25 THR CA C 13 67.90 0.01 . 1 . . . . 25 THR CA . 19819 1 110 . 1 1 25 25 THR CB C 13 69.32 0.01 . 1 . . . . 25 THR CB . 19819 1 111 . 1 1 25 25 THR N N 15 115.77 0.01 . 1 . . . . 25 THR N . 19819 1 112 . 1 1 26 26 VAL H H 1 7.498 0.01 . 1 . . . . 26 VAL H . 19819 1 113 . 1 1 26 26 VAL HA H 1 3.972 0.01 . 1 . . . . 26 VAL HA . 19819 1 114 . 1 1 26 26 VAL C C 13 178.76 0.01 . 1 . . . . 26 VAL C . 19819 1 115 . 1 1 26 26 VAL CA C 13 66.88 0.01 . 1 . . . . 26 VAL CA . 19819 1 116 . 1 1 26 26 VAL CB C 13 31.70 0.01 . 1 . . . . 26 VAL CB . 19819 1 117 . 1 1 26 26 VAL N N 15 123.52 0.01 . 1 . . . . 26 VAL N . 19819 1 118 . 1 1 27 27 LEU H H 1 7.916 0.01 . 1 . . . . 27 LEU H . 19819 1 119 . 1 1 27 27 LEU HA H 1 4.156 0.01 . 1 . . . . 27 LEU HA . 19819 1 120 . 1 1 27 27 LEU C C 13 179.65 0.01 . 1 . . . . 27 LEU C . 19819 1 121 . 1 1 27 27 LEU CA C 13 60.60 0.01 . 1 . . . . 27 LEU CA . 19819 1 122 . 1 1 27 27 LEU CB C 13 42.96 0.01 . 1 . . . . 27 LEU CB . 19819 1 123 . 1 1 27 27 LEU N N 15 121.39 0.01 . 1 . . . . 27 LEU N . 19819 1 124 . 1 1 28 28 PHE H H 1 8.946 0.01 . 1 . . . . 28 PHE H . 19819 1 125 . 1 1 28 28 PHE HA H 1 4.643 0.01 . 1 . . . . 28 PHE HA . 19819 1 126 . 1 1 28 28 PHE C C 13 177.09 0.01 . 1 . . . . 28 PHE C . 19819 1 127 . 1 1 28 28 PHE CA C 13 64.53 0.01 . 1 . . . . 28 PHE CA . 19819 1 128 . 1 1 28 28 PHE CB C 13 40.17 0.01 . 1 . . . . 28 PHE CB . 19819 1 129 . 1 1 28 28 PHE N N 15 116.97 0.01 . 1 . . . . 28 PHE N . 19819 1 130 . 1 1 29 29 ALA H H 1 9.128 0.01 . 1 . . . . 29 ALA H . 19819 1 131 . 1 1 29 29 ALA HA H 1 4.431 0.01 . 1 . . . . 29 ALA HA . 19819 1 132 . 1 1 29 29 ALA C C 13 181.59 0.01 . 1 . . . . 29 ALA C . 19819 1 133 . 1 1 29 29 ALA CA C 13 55.77 0.01 . 1 . . . . 29 ALA CA . 19819 1 134 . 1 1 29 29 ALA CB C 13 18.18 0.01 . 1 . . . . 29 ALA CB . 19819 1 135 . 1 1 29 29 ALA N N 15 121.59 0.01 . 1 . . . . 29 ALA N . 19819 1 136 . 1 1 30 30 ARG H H 1 8.085 0.01 . 1 . . . . 30 ARG H . 19819 1 137 . 1 1 30 30 ARG HA H 1 4.077 0.01 . 1 . . . . 30 ARG HA . 19819 1 138 . 1 1 30 30 ARG C C 13 177.07 0.01 . 1 . . . . 30 ARG C . 19819 1 139 . 1 1 30 30 ARG CA C 13 57.14 0.01 . 1 . . . . 30 ARG CA . 19819 1 140 . 1 1 30 30 ARG CB C 13 29.72 0.01 . 1 . . . . 30 ARG CB . 19819 1 141 . 1 1 30 30 ARG N N 15 119.58 0.01 . 1 . . . . 30 ARG N . 19819 1 142 . 1 1 31 31 LEU H H 1 8.540 0.01 . 1 . . . . 31 LEU H . 19819 1 143 . 1 1 31 31 LEU HA H 1 3.912 0.01 . 1 . . . . 31 LEU HA . 19819 1 144 . 1 1 31 31 LEU C C 13 178.89 0.01 . 1 . . . . 31 LEU C . 19819 1 145 . 1 1 31 31 LEU CA C 13 59.15 0.01 . 1 . . . . 31 LEU CA . 19819 1 146 . 1 1 31 31 LEU CB C 13 42.92 0.01 . 1 . . . . 31 LEU CB . 19819 1 147 . 1 1 31 31 LEU N N 15 123.07 0.01 . 1 . . . . 31 LEU N . 19819 1 148 . 1 1 32 32 PHE H H 1 8.224 0.01 . 1 . . . . 32 PHE H . 19819 1 149 . 1 1 32 32 PHE HA H 1 4.718 0.01 . 1 . . . . 32 PHE HA . 19819 1 150 . 1 1 32 32 PHE C C 13 177.93 0.01 . 1 . . . . 32 PHE C . 19819 1 151 . 1 1 32 32 PHE CA C 13 57.73 0.01 . 1 . . . . 32 PHE CA . 19819 1 152 . 1 1 32 32 PHE CB C 13 38.36 0.01 . 1 . . . . 32 PHE CB . 19819 1 153 . 1 1 32 32 PHE N N 15 113.33 0.01 . 1 . . . . 32 PHE N . 19819 1 154 . 1 1 33 33 ALA H H 1 7.698 0.01 . 1 . . . . 33 ALA H . 19819 1 155 . 1 1 33 33 ALA HA H 1 4.326 0.01 . 1 . . . . 33 ALA HA . 19819 1 156 . 1 1 33 33 ALA C C 13 180.33 0.01 . 1 . . . . 33 ALA C . 19819 1 157 . 1 1 33 33 ALA CA C 13 54.40 0.01 . 1 . . . . 33 ALA CA . 19819 1 158 . 1 1 33 33 ALA CB C 13 18.61 0.01 . 1 . . . . 33 ALA CB . 19819 1 159 . 1 1 33 33 ALA N N 15 121.49 0.01 . 1 . . . . 33 ALA N . 19819 1 160 . 1 1 34 34 LEU H H 1 8.173 0.01 . 1 . . . . 34 LEU H . 19819 1 161 . 1 1 34 34 LEU HA H 1 4.122 0.01 . 1 . . . . 34 LEU HA . 19819 1 162 . 1 1 34 34 LEU C C 13 178.70 0.01 . 1 . . . . 34 LEU C . 19819 1 163 . 1 1 34 34 LEU CA C 13 56.91 0.01 . 1 . . . . 34 LEU CA . 19819 1 164 . 1 1 34 34 LEU CB C 13 43.48 0.01 . 1 . . . . 34 LEU CB . 19819 1 165 . 1 1 34 34 LEU N N 15 118.37 0.01 . 1 . . . . 34 LEU N . 19819 1 166 . 1 1 35 35 GLU H H 1 8.459 0.01 . 1 . . . . 35 GLU H . 19819 1 167 . 1 1 35 35 GLU HA H 1 4.281 0.01 . 1 . . . . 35 GLU HA . 19819 1 168 . 1 1 35 35 GLU C C 13 172.41 0.01 . 1 . . . . 35 GLU C . 19819 1 169 . 1 1 35 35 GLU CA C 13 54.13 0.01 . 1 . . . . 35 GLU CA . 19819 1 170 . 1 1 35 35 GLU CB C 13 31.15 0.01 . 1 . . . . 35 GLU CB . 19819 1 171 . 1 1 35 35 GLU N N 15 119.27 0.01 . 1 . . . . 35 GLU N . 19819 1 172 . 1 1 36 36 PRO HA H 1 4.692 0.01 . 1 . . . . 36 PRO HA . 19819 1 173 . 1 1 36 36 PRO C C 13 179.70 0.01 . 1 . . . . 36 PRO C . 19819 1 174 . 1 1 36 36 PRO CA C 13 65.17 0.01 . 1 . . . . 36 PRO CA . 19819 1 175 . 1 1 36 36 PRO CB C 13 31.83 0.01 . 1 . . . . 36 PRO CB . 19819 1 176 . 1 1 37 37 SER H H 1 8.082 0.01 . 1 . . . . 37 SER H . 19819 1 177 . 1 1 37 37 SER HA H 1 4.141 0.01 . 1 . . . . 37 SER HA . 19819 1 178 . 1 1 37 37 SER C C 13 175.30 0.01 . 1 . . . . 37 SER C . 19819 1 179 . 1 1 37 37 SER CA C 13 60.24 0.01 . 1 . . . . 37 SER CA . 19819 1 180 . 1 1 37 37 SER CB C 13 62.27 0.01 . 1 . . . . 37 SER CB . 19819 1 181 . 1 1 37 37 SER N N 15 111.87 0.01 . 1 . . . . 37 SER N . 19819 1 182 . 1 1 38 38 LEU H H 1 8.081 0.01 . 1 . . . . 38 LEU H . 19819 1 183 . 1 1 38 38 LEU HA H 1 4.061 0.01 . 1 . . . . 38 LEU HA . 19819 1 184 . 1 1 38 38 LEU C C 13 178.20 0.01 . 1 . . . . 38 LEU C . 19819 1 185 . 1 1 38 38 LEU CA C 13 55.91 0.01 . 1 . . . . 38 LEU CA . 19819 1 186 . 1 1 38 38 LEU CB C 13 42.61 0.01 . 1 . . . . 38 LEU CB . 19819 1 187 . 1 1 38 38 LEU N N 15 120.47 0.01 . 1 . . . . 38 LEU N . 19819 1 188 . 1 1 39 39 LEU H H 1 7.416 0.01 . 1 . . . . 39 LEU H . 19819 1 189 . 1 1 39 39 LEU HA H 1 4.113 0.01 . 1 . . . . 39 LEU HA . 19819 1 190 . 1 1 39 39 LEU C C 13 176.09 0.01 . 1 . . . . 39 LEU C . 19819 1 191 . 1 1 39 39 LEU CA C 13 59.98 0.01 . 1 . . . . 39 LEU CA . 19819 1 192 . 1 1 39 39 LEU CB C 13 39.81 0.01 . 1 . . . . 39 LEU CB . 19819 1 193 . 1 1 39 39 LEU N N 15 119.24 0.01 . 1 . . . . 39 LEU N . 19819 1 194 . 1 1 40 40 PRO HA H 1 4.322 0.01 . 1 . . . . 40 PRO HA . 19819 1 195 . 1 1 40 40 PRO C C 13 176.60 0.01 . 1 . . . . 40 PRO C . 19819 1 196 . 1 1 40 40 PRO CA C 13 65.00 0.01 . 1 . . . . 40 PRO CA . 19819 1 197 . 1 1 40 40 PRO CB C 13 31.46 0.01 . 1 . . . . 40 PRO CB . 19819 1 198 . 1 1 41 41 LEU H H 1 7.239 0.01 . 1 . . . . 41 LEU H . 19819 1 199 . 1 1 41 41 LEU HA H 1 3.679 0.01 . 1 . . . . 41 LEU HA . 19819 1 200 . 1 1 41 41 LEU C C 13 177.20 0.01 . 1 . . . . 41 LEU C . 19819 1 201 . 1 1 41 41 LEU CA C 13 56.41 0.01 . 1 . . . . 41 LEU CA . 19819 1 202 . 1 1 41 41 LEU CB C 13 41.71 0.01 . 1 . . . . 41 LEU CB . 19819 1 203 . 1 1 41 41 LEU N N 15 114.44 0.01 . 1 . . . . 41 LEU N . 19819 1 204 . 1 1 42 42 PHE H H 1 7.452 0.01 . 1 . . . . 42 PHE H . 19819 1 205 . 1 1 42 42 PHE HA H 1 4.136 0.01 . 1 . . . . 42 PHE HA . 19819 1 206 . 1 1 42 42 PHE C C 13 173.98 0.01 . 1 . . . . 42 PHE C . 19819 1 207 . 1 1 42 42 PHE CA C 13 57.82 0.01 . 1 . . . . 42 PHE CA . 19819 1 208 . 1 1 42 42 PHE CB C 13 39.04 0.01 . 1 . . . . 42 PHE CB . 19819 1 209 . 1 1 42 42 PHE N N 15 117.15 0.01 . 1 . . . . 42 PHE N . 19819 1 210 . 1 1 43 43 GLN H H 1 7.594 0.01 . 1 . . . . 43 GLN H . 19819 1 211 . 1 1 43 43 GLN HA H 1 4.409 0.01 . 1 . . . . 43 GLN HA . 19819 1 212 . 1 1 43 43 GLN C C 13 174.95 0.01 . 1 . . . . 43 GLN C . 19819 1 213 . 1 1 43 43 GLN CA C 13 54.51 0.01 . 1 . . . . 43 GLN CA . 19819 1 214 . 1 1 43 43 GLN CB C 13 30.52 0.01 . 1 . . . . 43 GLN CB . 19819 1 215 . 1 1 43 43 GLN N N 15 120.80 0.01 . 1 . . . . 43 GLN N . 19819 1 216 . 1 1 44 44 TYR H H 1 7.792 0.01 . 1 . . . . 44 TYR H . 19819 1 217 . 1 1 44 44 TYR HA H 1 4.566 0.01 . 1 . . . . 44 TYR HA . 19819 1 218 . 1 1 44 44 TYR C C 13 176.32 0.01 . 1 . . . . 44 TYR C . 19819 1 219 . 1 1 44 44 TYR CA C 13 57.24 0.01 . 1 . . . . 44 TYR CA . 19819 1 220 . 1 1 44 44 TYR CB C 13 40.27 0.01 . 1 . . . . 44 TYR CB . 19819 1 221 . 1 1 44 44 TYR N N 15 120.71 0.01 . 1 . . . . 44 TYR N . 19819 1 222 . 1 1 45 45 ASN HA H 1 4.346 0.01 . 1 . . . . 45 ASN HA . 19819 1 223 . 1 1 45 45 ASN C C 13 175.38 0.01 . 1 . . . . 45 ASN C . 19819 1 224 . 1 1 45 45 ASN CA C 13 54.19 0.01 . 1 . . . . 45 ASN CA . 19819 1 225 . 1 1 45 45 ASN CB C 13 37.85 0.01 . 1 . . . . 45 ASN CB . 19819 1 226 . 1 1 46 46 GLY H H 1 8.565 0.01 . 1 . . . . 46 GLY H . 19819 1 227 . 1 1 46 46 GLY HA2 H 1 3.992 0.01 . 2 . . . . 46 GLY HA2 . 19819 1 228 . 1 1 46 46 GLY HA3 H 1 3.592 0.01 . 2 . . . . 46 GLY HA3 . 19819 1 229 . 1 1 46 46 GLY C C 13 173.92 0.01 . 1 . . . . 46 GLY C . 19819 1 230 . 1 1 46 46 GLY CA C 13 45.74 0.01 . 1 . . . . 46 GLY CA . 19819 1 231 . 1 1 46 46 GLY N N 15 104.44 0.01 . 1 . . . . 46 GLY N . 19819 1 232 . 1 1 47 47 ARG H H 1 7.610 0.01 . 1 . . . . 47 ARG H . 19819 1 233 . 1 1 47 47 ARG HA H 1 4.646 0.01 . 1 . . . . 47 ARG HA . 19819 1 234 . 1 1 47 47 ARG C C 13 175.16 0.01 . 1 . . . . 47 ARG C . 19819 1 235 . 1 1 47 47 ARG CA C 13 55.25 0.01 . 1 . . . . 47 ARG CA . 19819 1 236 . 1 1 47 47 ARG CB C 13 32.44 0.01 . 1 . . . . 47 ARG CB . 19819 1 237 . 1 1 47 47 ARG N N 15 119.88 0.01 . 1 . . . . 47 ARG N . 19819 1 238 . 1 1 48 48 GLN H H 1 8.338 0.01 . 1 . . . . 48 GLN H . 19819 1 239 . 1 1 48 48 GLN HA H 1 4.315 0.01 . 1 . . . . 48 GLN HA . 19819 1 240 . 1 1 48 48 GLN C C 13 176.48 0.01 . 1 . . . . 48 GLN C . 19819 1 241 . 1 1 48 48 GLN CA C 13 54.29 0.01 . 1 . . . . 48 GLN CA . 19819 1 242 . 1 1 48 48 GLN CB C 13 30.76 0.01 . 1 . . . . 48 GLN CB . 19819 1 243 . 1 1 48 48 GLN N N 15 121.72 0.01 . 1 . . . . 48 GLN N . 19819 1 244 . 1 1 49 49 PHE H H 1 9.414 0.01 . 1 . . . . 49 PHE H . 19819 1 245 . 1 1 49 49 PHE HA H 1 4.818 0.01 . 1 . . . . 49 PHE HA . 19819 1 246 . 1 1 49 49 PHE C C 13 176.62 0.01 . 1 . . . . 49 PHE C . 19819 1 247 . 1 1 49 49 PHE CA C 13 57.53 0.01 . 1 . . . . 49 PHE CA . 19819 1 248 . 1 1 49 49 PHE CB C 13 39.82 0.01 . 1 . . . . 49 PHE CB . 19819 1 249 . 1 1 49 49 PHE N N 15 122.95 0.01 . 1 . . . . 49 PHE N . 19819 1 250 . 1 1 50 50 SER H H 1 9.615 0.01 . 1 . . . . 50 SER H . 19819 1 251 . 1 1 50 50 SER HA H 1 4.407 0.01 . 1 . . . . 50 SER HA . 19819 1 252 . 1 1 50 50 SER C C 13 174.22 0.01 . 1 . . . . 50 SER C . 19819 1 253 . 1 1 50 50 SER CA C 13 59.87 0.01 . 1 . . . . 50 SER CA . 19819 1 254 . 1 1 50 50 SER CB C 13 64.09 0.01 . 1 . . . . 50 SER CB . 19819 1 255 . 1 1 50 50 SER N N 15 117.06 0.01 . 1 . . . . 50 SER N . 19819 1 256 . 1 1 51 51 SER H H 1 7.776 0.01 . 1 . . . . 51 SER H . 19819 1 257 . 1 1 51 51 SER HA H 1 4.869 0.01 . 1 . . . . 51 SER HA . 19819 1 258 . 1 1 51 51 SER C C 13 173.21 0.01 . 1 . . . . 51 SER C . 19819 1 259 . 1 1 51 51 SER CA C 13 56.33 0.01 . 1 . . . . 51 SER CA . 19819 1 260 . 1 1 51 51 SER CB C 13 64.22 0.01 . 1 . . . . 51 SER CB . 19819 1 261 . 1 1 51 51 SER N N 15 114.08 0.01 . 1 . . . . 51 SER N . 19819 1 262 . 1 1 52 52 PRO HA H 1 4.057 0.01 . 1 . . . . 52 PRO HA . 19819 1 263 . 1 1 52 52 PRO C C 13 178.77 0.01 . 1 . . . . 52 PRO C . 19819 1 264 . 1 1 52 52 PRO CA C 13 65.28 0.01 . 1 . . . . 52 PRO CA . 19819 1 265 . 1 1 52 52 PRO CB C 13 32.24 0.01 . 1 . . . . 52 PRO CB . 19819 1 266 . 1 1 53 53 GLU H H 1 9.066 0.01 . 1 . . . . 53 GLU H . 19819 1 267 . 1 1 53 53 GLU HA H 1 3.971 0.01 . 1 . . . . 53 GLU HA . 19819 1 268 . 1 1 53 53 GLU C C 13 178.87 0.01 . 1 . . . . 53 GLU C . 19819 1 269 . 1 1 53 53 GLU CA C 13 60.78 0.01 . 1 . . . . 53 GLU CA . 19819 1 270 . 1 1 53 53 GLU CB C 13 28.54 0.01 . 1 . . . . 53 GLU CB . 19819 1 271 . 1 1 53 53 GLU N N 15 118.33 0.01 . 1 . . . . 53 GLU N . 19819 1 272 . 1 1 54 54 ASP H H 1 7.753 0.01 . 1 . . . . 54 ASP H . 19819 1 273 . 1 1 54 54 ASP HA H 1 4.397 0.01 . 1 . . . . 54 ASP HA . 19819 1 274 . 1 1 54 54 ASP C C 13 178.63 0.01 . 1 . . . . 54 ASP C . 19819 1 275 . 1 1 54 54 ASP CA C 13 56.95 0.01 . 1 . . . . 54 ASP CA . 19819 1 276 . 1 1 54 54 ASP CB C 13 41.78 0.01 . 1 . . . . 54 ASP CB . 19819 1 277 . 1 1 54 54 ASP N N 15 119.76 0.01 . 1 . . . . 54 ASP N . 19819 1 278 . 1 1 55 55 SER H H 1 7.232 0.01 . 1 . . . . 55 SER H . 19819 1 279 . 1 1 55 55 SER HA H 1 2.591 0.01 . 1 . . . . 55 SER HA . 19819 1 280 . 1 1 55 55 SER C C 13 175.76 0.01 . 1 . . . . 55 SER C . 19819 1 281 . 1 1 55 55 SER CA C 13 61.80 0.01 . 1 . . . . 55 SER CA . 19819 1 282 . 1 1 55 55 SER CB C 13 62.50 0.01 . 1 . . . . 55 SER CB . 19819 1 283 . 1 1 55 55 SER N N 15 115.55 0.01 . 1 . . . . 55 SER N . 19819 1 284 . 1 1 56 56 LEU H H 1 7.341 0.01 . 1 . . . . 56 LEU H . 19819 1 285 . 1 1 56 56 LEU HA H 1 4.330 0.01 . 1 . . . . 56 LEU HA . 19819 1 286 . 1 1 56 56 LEU C C 13 176.58 0.01 . 1 . . . . 56 LEU C . 19819 1 287 . 1 1 56 56 LEU CA C 13 56.78 0.01 . 1 . . . . 56 LEU CA . 19819 1 288 . 1 1 56 56 LEU CB C 13 41.15 0.01 . 1 . . . . 56 LEU CB . 19819 1 289 . 1 1 56 56 LEU N N 15 118.41 0.01 . 1 . . . . 56 LEU N . 19819 1 290 . 1 1 57 57 SER H H 1 7.348 0.01 . 1 . . . . 57 SER H . 19819 1 291 . 1 1 57 57 SER HA H 1 4.704 0.01 . 1 . . . . 57 SER HA . 19819 1 292 . 1 1 57 57 SER C C 13 174.53 0.01 . 1 . . . . 57 SER C . 19819 1 293 . 1 1 57 57 SER CA C 13 57.59 0.01 . 1 . . . . 57 SER CA . 19819 1 294 . 1 1 57 57 SER CB C 13 64.57 0.01 . 1 . . . . 57 SER CB . 19819 1 295 . 1 1 57 57 SER N N 15 110.07 0.01 . 1 . . . . 57 SER N . 19819 1 296 . 1 1 58 58 SER H H 1 7.569 0.01 . 1 . . . . 58 SER H . 19819 1 297 . 1 1 58 58 SER HA H 1 5.043 0.01 . 1 . . . . 58 SER HA . 19819 1 298 . 1 1 58 58 SER C C 13 173.58 0.01 . 1 . . . . 58 SER C . 19819 1 299 . 1 1 58 58 SER CA C 13 55.32 0.01 . 1 . . . . 58 SER CA . 19819 1 300 . 1 1 58 58 SER CB C 13 64.41 0.01 . 1 . . . . 58 SER CB . 19819 1 301 . 1 1 58 58 SER N N 15 119.80 0.01 . 1 . . . . 58 SER N . 19819 1 302 . 1 1 59 59 PRO HA H 1 4.256 0.01 . 1 . . . . 59 PRO HA . 19819 1 303 . 1 1 59 59 PRO C C 13 179.58 0.01 . 1 . . . . 59 PRO C . 19819 1 304 . 1 1 59 59 PRO CA C 13 65.34 0.01 . 1 . . . . 59 PRO CA . 19819 1 305 . 1 1 59 59 PRO CB C 13 32.05 0.01 . 1 . . . . 59 PRO CB . 19819 1 306 . 1 1 60 60 GLU H H 1 8.812 0.01 . 1 . . . . 60 GLU H . 19819 1 307 . 1 1 60 60 GLU HA H 1 3.913 0.01 . 1 . . . . 60 GLU HA . 19819 1 308 . 1 1 60 60 GLU C C 13 179.38 0.01 . 1 . . . . 60 GLU C . 19819 1 309 . 1 1 60 60 GLU CA C 13 60.40 0.01 . 1 . . . . 60 GLU CA . 19819 1 310 . 1 1 60 60 GLU CB C 13 28.46 0.01 . 1 . . . . 60 GLU CB . 19819 1 311 . 1 1 60 60 GLU N N 15 117.98 0.01 . 1 . . . . 60 GLU N . 19819 1 312 . 1 1 61 61 PHE H H 1 8.072 0.01 . 1 . . . . 61 PHE H . 19819 1 313 . 1 1 61 61 PHE HA H 1 4.540 0.01 . 1 . . . . 61 PHE HA . 19819 1 314 . 1 1 61 61 PHE C C 13 178.24 0.01 . 1 . . . . 61 PHE C . 19819 1 315 . 1 1 61 61 PHE CA C 13 61.12 0.01 . 1 . . . . 61 PHE CA . 19819 1 316 . 1 1 61 61 PHE CB C 13 39.64 0.01 . 1 . . . . 61 PHE CB . 19819 1 317 . 1 1 61 61 PHE N N 15 123.03 0.01 . 1 . . . . 61 PHE N . 19819 1 318 . 1 1 62 62 LEU H H 1 8.625 0.01 . 1 . . . . 62 LEU H . 19819 1 319 . 1 1 62 62 LEU HA H 1 4.105 0.01 . 1 . . . . 62 LEU HA . 19819 1 320 . 1 1 62 62 LEU C C 13 179.68 0.01 . 1 . . . . 62 LEU C . 19819 1 321 . 1 1 62 62 LEU CA C 13 58.75 0.01 . 1 . . . . 62 LEU CA . 19819 1 322 . 1 1 62 62 LEU CB C 13 40.68 0.01 . 1 . . . . 62 LEU CB . 19819 1 323 . 1 1 62 62 LEU N N 15 119.93 0.01 . 1 . . . . 62 LEU N . 19819 1 324 . 1 1 63 63 ASP H H 1 7.668 0.01 . 1 . . . . 63 ASP H . 19819 1 325 . 1 1 63 63 ASP HA H 1 4.331 0.01 . 1 . . . . 63 ASP HA . 19819 1 326 . 1 1 63 63 ASP C C 13 178.08 0.01 . 1 . . . . 63 ASP C . 19819 1 327 . 1 1 63 63 ASP CA C 13 57.39 0.01 . 1 . . . . 63 ASP CA . 19819 1 328 . 1 1 63 63 ASP CB C 13 40.83 0.01 . 1 . . . . 63 ASP CB . 19819 1 329 . 1 1 63 63 ASP N N 15 118.35 0.01 . 1 . . . . 63 ASP N . 19819 1 330 . 1 1 64 64 HIS H H 1 7.387 0.01 . 1 . . . . 64 HIS H . 19819 1 331 . 1 1 64 64 HIS HA H 1 3.489 0.01 . 1 . . . . 64 HIS HA . 19819 1 332 . 1 1 64 64 HIS C C 13 176.60 0.01 . 1 . . . . 64 HIS C . 19819 1 333 . 1 1 64 64 HIS CA C 13 60.93 0.01 . 1 . . . . 64 HIS CA . 19819 1 334 . 1 1 64 64 HIS CB C 13 29.37 0.01 . 1 . . . . 64 HIS CB . 19819 1 335 . 1 1 64 64 HIS N N 15 120.35 0.01 . 1 . . . . 64 HIS N . 19819 1 336 . 1 1 65 65 ILE H H 1 8.437 0.01 . 1 . . . . 65 ILE H . 19819 1 337 . 1 1 65 65 ILE HA H 1 3.777 0.01 . 1 . . . . 65 ILE HA . 19819 1 338 . 1 1 65 65 ILE C C 13 178.33 0.01 . 1 . . . . 65 ILE C . 19819 1 339 . 1 1 65 65 ILE CA C 13 67.06 0.01 . 1 . . . . 65 ILE CA . 19819 1 340 . 1 1 65 65 ILE CB C 13 37.68 0.01 . 1 . . . . 65 ILE CB . 19819 1 341 . 1 1 65 65 ILE N N 15 118.89 0.01 . 1 . . . . 65 ILE N . 19819 1 342 . 1 1 66 66 ARG H H 1 7.831 0.01 . 1 . . . . 66 ARG H . 19819 1 343 . 1 1 66 66 ARG HA H 1 3.675 0.01 . 1 . . . . 66 ARG HA . 19819 1 344 . 1 1 66 66 ARG C C 13 178.82 0.01 . 1 . . . . 66 ARG C . 19819 1 345 . 1 1 66 66 ARG CA C 13 60.22 0.01 . 1 . . . . 66 ARG CA . 19819 1 346 . 1 1 66 66 ARG CB C 13 30.01 0.01 . 1 . . . . 66 ARG CB . 19819 1 347 . 1 1 66 66 ARG N N 15 117.82 0.01 . 1 . . . . 66 ARG N . 19819 1 348 . 1 1 67 67 LYS H H 1 7.210 0.01 . 1 . . . . 67 LYS H . 19819 1 349 . 1 1 67 67 LYS HA H 1 3.304 0.01 . 1 . . . . 67 LYS HA . 19819 1 350 . 1 1 67 67 LYS C C 13 178.80 0.01 . 1 . . . . 67 LYS C . 19819 1 351 . 1 1 67 67 LYS CA C 13 59.59 0.01 . 1 . . . . 67 LYS CA . 19819 1 352 . 1 1 67 67 LYS CB C 13 31.41 0.01 . 1 . . . . 67 LYS CB . 19819 1 353 . 1 1 67 67 LYS N N 15 117.81 0.01 . 1 . . . . 67 LYS N . 19819 1 354 . 1 1 68 68 VAL H H 1 7.448 0.01 . 1 . . . . 68 VAL H . 19819 1 355 . 1 1 68 68 VAL HA H 1 1.516 0.01 . 1 . . . . 68 VAL HA . 19819 1 356 . 1 1 68 68 VAL C C 13 178.48 0.01 . 1 . . . . 68 VAL C . 19819 1 357 . 1 1 68 68 VAL CA C 13 67.52 0.01 . 1 . . . . 68 VAL CA . 19819 1 358 . 1 1 68 68 VAL CB C 13 31.79 0.01 . 1 . . . . 68 VAL CB . 19819 1 359 . 1 1 68 68 VAL N N 15 120.96 0.01 . 1 . . . . 68 VAL N . 19819 1 360 . 1 1 69 69 MET H H 1 8.351 0.01 . 1 . . . . 69 MET H . 19819 1 361 . 1 1 69 69 MET HA H 1 4.577 0.01 . 1 . . . . 69 MET HA . 19819 1 362 . 1 1 69 69 MET C C 13 179.97 0.01 . 1 . . . . 69 MET C . 19819 1 363 . 1 1 69 69 MET CA C 13 57.08 0.01 . 1 . . . . 69 MET CA . 19819 1 364 . 1 1 69 69 MET CB C 13 30.24 0.01 . 1 . . . . 69 MET CB . 19819 1 365 . 1 1 69 69 MET N N 15 115.90 0.01 . 1 . . . . 69 MET N . 19819 1 366 . 1 1 70 70 LEU H H 1 7.594 0.01 . 1 . . . . 70 LEU H . 19819 1 367 . 1 1 70 70 LEU HA H 1 4.151 0.01 . 1 . . . . 70 LEU HA . 19819 1 368 . 1 1 70 70 LEU C C 13 180.13 0.01 . 1 . . . . 70 LEU C . 19819 1 369 . 1 1 70 70 LEU CA C 13 57.60 0.01 . 1 . . . . 70 LEU CA . 19819 1 370 . 1 1 70 70 LEU CB C 13 41.84 0.01 . 1 . . . . 70 LEU CB . 19819 1 371 . 1 1 70 70 LEU N N 15 120.91 0.01 . 1 . . . . 70 LEU N . 19819 1 372 . 1 1 71 71 VAL H H 1 7.196 0.01 . 1 . . . . 71 VAL H . 19819 1 373 . 1 1 71 71 VAL HA H 1 3.411 0.01 . 1 . . . . 71 VAL HA . 19819 1 374 . 1 1 71 71 VAL C C 13 177.62 0.01 . 1 . . . . 71 VAL C . 19819 1 375 . 1 1 71 71 VAL CA C 13 66.56 0.01 . 1 . . . . 71 VAL CA . 19819 1 376 . 1 1 71 71 VAL CB C 13 30.35 0.01 . 1 . . . . 71 VAL CB . 19819 1 377 . 1 1 71 71 VAL N N 15 122.91 0.01 . 1 . . . . 71 VAL N . 19819 1 378 . 1 1 72 72 ILE H H 1 7.514 0.01 . 1 . . . . 72 ILE H . 19819 1 379 . 1 1 72 72 ILE HA H 1 3.243 0.01 . 1 . . . . 72 ILE HA . 19819 1 380 . 1 1 72 72 ILE C C 13 177.35 0.01 . 1 . . . . 72 ILE C . 19819 1 381 . 1 1 72 72 ILE CA C 13 65.37 0.01 . 1 . . . . 72 ILE CA . 19819 1 382 . 1 1 72 72 ILE CB C 13 35.84 0.01 . 1 . . . . 72 ILE CB . 19819 1 383 . 1 1 72 72 ILE N N 15 119.28 0.01 . 1 . . . . 72 ILE N . 19819 1 384 . 1 1 73 73 ASP H H 1 8.287 0.01 . 1 . . . . 73 ASP H . 19819 1 385 . 1 1 73 73 ASP HA H 1 3.995 0.01 . 1 . . . . 73 ASP HA . 19819 1 386 . 1 1 73 73 ASP C C 13 178.14 0.01 . 1 . . . . 73 ASP C . 19819 1 387 . 1 1 73 73 ASP CA C 13 58.12 0.01 . 1 . . . . 73 ASP CA . 19819 1 388 . 1 1 73 73 ASP CB C 13 43.59 0.01 . 1 . . . . 73 ASP CB . 19819 1 389 . 1 1 73 73 ASP N N 15 118.57 0.01 . 1 . . . . 73 ASP N . 19819 1 390 . 1 1 74 74 ALA H H 1 7.764 0.01 . 1 . . . . 74 ALA H . 19819 1 391 . 1 1 74 74 ALA HA H 1 3.973 0.01 . 1 . . . . 74 ALA HA . 19819 1 392 . 1 1 74 74 ALA C C 13 180.25 0.01 . 1 . . . . 74 ALA C . 19819 1 393 . 1 1 74 74 ALA CA C 13 55.19 0.01 . 1 . . . . 74 ALA CA . 19819 1 394 . 1 1 74 74 ALA CB C 13 17.33 0.01 . 1 . . . . 74 ALA CB . 19819 1 395 . 1 1 74 74 ALA N N 15 122.59 0.01 . 1 . . . . 74 ALA N . 19819 1 396 . 1 1 75 75 ALA H H 1 7.995 0.01 . 1 . . . . 75 ALA H . 19819 1 397 . 1 1 75 75 ALA HA H 1 3.619 0.01 . 1 . . . . 75 ALA HA . 19819 1 398 . 1 1 75 75 ALA C C 13 177.48 0.01 . 1 . . . . 75 ALA C . 19819 1 399 . 1 1 75 75 ALA CA C 13 55.24 0.01 . 1 . . . . 75 ALA CA . 19819 1 400 . 1 1 75 75 ALA CB C 13 16.44 0.01 . 1 . . . . 75 ALA CB . 19819 1 401 . 1 1 75 75 ALA N N 15 123.70 0.01 . 1 . . . . 75 ALA N . 19819 1 402 . 1 1 76 76 VAL H H 1 7.903 0.01 . 1 . . . . 76 VAL H . 19819 1 403 . 1 1 76 76 VAL HA H 1 2.912 0.01 . 1 . . . . 76 VAL HA . 19819 1 404 . 1 1 76 76 VAL C C 13 180.02 0.01 . 1 . . . . 76 VAL C . 19819 1 405 . 1 1 76 76 VAL CA C 13 66.82 0.01 . 1 . . . . 76 VAL CA . 19819 1 406 . 1 1 76 76 VAL CB C 13 31.01 0.01 . 1 . . . . 76 VAL CB . 19819 1 407 . 1 1 76 76 VAL N N 15 116.35 0.01 . 1 . . . . 76 VAL N . 19819 1 408 . 1 1 77 77 THR H H 1 8.511 0.01 . 1 . . . . 77 THR H . 19819 1 409 . 1 1 77 77 THR HA H 1 3.785 0.01 . 1 . . . . 77 THR HA . 19819 1 410 . 1 1 77 77 THR C C 13 175.29 0.01 . 1 . . . . 77 THR C . 19819 1 411 . 1 1 77 77 THR CA C 13 66.55 0.01 . 1 . . . . 77 THR CA . 19819 1 412 . 1 1 77 77 THR CB C 13 68.94 0.01 . 1 . . . . 77 THR CB . 19819 1 413 . 1 1 77 77 THR N N 15 116.84 0.01 . 1 . . . . 77 THR N . 19819 1 414 . 1 1 78 78 ASN H H 1 7.400 0.01 . 1 . . . . 78 ASN H . 19819 1 415 . 1 1 78 78 ASN HA H 1 4.800 0.01 . 1 . . . . 78 ASN HA . 19819 1 416 . 1 1 78 78 ASN C C 13 175.10 0.01 . 1 . . . . 78 ASN C . 19819 1 417 . 1 1 78 78 ASN CA C 13 53.76 0.01 . 1 . . . . 78 ASN CA . 19819 1 418 . 1 1 78 78 ASN CB C 13 39.26 0.01 . 1 . . . . 78 ASN CB . 19819 1 419 . 1 1 78 78 ASN N N 15 117.66 0.01 . 1 . . . . 78 ASN N . 19819 1 420 . 1 1 79 79 VAL H H 1 6.907 0.01 . 1 . . . . 79 VAL H . 19819 1 421 . 1 1 79 79 VAL HA H 1 3.609 0.01 . 1 . . . . 79 VAL HA . 19819 1 422 . 1 1 79 79 VAL C C 13 174.91 0.01 . 1 . . . . 79 VAL C . 19819 1 423 . 1 1 79 79 VAL CA C 13 65.46 0.01 . 1 . . . . 79 VAL CA . 19819 1 424 . 1 1 79 79 VAL CB C 13 31.06 0.01 . 1 . . . . 79 VAL CB . 19819 1 425 . 1 1 79 79 VAL N N 15 120.46 0.01 . 1 . . . . 79 VAL N . 19819 1 426 . 1 1 80 80 GLU H H 1 8.116 0.01 . 1 . . . . 80 GLU H . 19819 1 427 . 1 1 80 80 GLU HA H 1 4.124 0.01 . 1 . . . . 80 GLU HA . 19819 1 428 . 1 1 80 80 GLU C C 13 177.15 0.01 . 1 . . . . 80 GLU C . 19819 1 429 . 1 1 80 80 GLU CA C 13 58.14 0.01 . 1 . . . . 80 GLU CA . 19819 1 430 . 1 1 80 80 GLU CB C 13 29.56 0.01 . 1 . . . . 80 GLU CB . 19819 1 431 . 1 1 80 80 GLU N N 15 117.41 0.01 . 1 . . . . 80 GLU N . 19819 1 432 . 1 1 81 81 ASP H H 1 7.933 0.01 . 1 . . . . 81 ASP H . 19819 1 433 . 1 1 81 81 ASP HA H 1 4.663 0.01 . 1 . . . . 81 ASP HA . 19819 1 434 . 1 1 81 81 ASP C C 13 176.08 0.01 . 1 . . . . 81 ASP C . 19819 1 435 . 1 1 81 81 ASP CA C 13 54.16 0.01 . 1 . . . . 81 ASP CA . 19819 1 436 . 1 1 81 81 ASP CB C 13 40.22 0.01 . 1 . . . . 81 ASP CB . 19819 1 437 . 1 1 81 81 ASP N N 15 116.80 0.01 . 1 . . . . 81 ASP N . 19819 1 438 . 1 1 82 82 LEU H H 1 8.930 0.01 . 1 . . . . 82 LEU H . 19819 1 439 . 1 1 82 82 LEU HA H 1 4.045 0.01 . 1 . . . . 82 LEU HA . 19819 1 440 . 1 1 82 82 LEU C C 13 179.55 0.01 . 1 . . . . 82 LEU C . 19819 1 441 . 1 1 82 82 LEU CA C 13 56.64 0.01 . 1 . . . . 82 LEU CA . 19819 1 442 . 1 1 82 82 LEU CB C 13 42.08 0.01 . 1 . . . . 82 LEU CB . 19819 1 443 . 1 1 82 82 LEU N N 15 127.53 0.01 . 1 . . . . 82 LEU N . 19819 1 444 . 1 1 83 83 SER H H 1 8.481 0.01 . 1 . . . . 83 SER H . 19819 1 445 . 1 1 83 83 SER HA H 1 4.197 0.01 . 1 . . . . 83 SER HA . 19819 1 446 . 1 1 83 83 SER C C 13 177.44 0.01 . 1 . . . . 83 SER C . 19819 1 447 . 1 1 83 83 SER CA C 13 62.35 0.01 . 1 . . . . 83 SER CA . 19819 1 448 . 1 1 83 83 SER CB C 13 62.35 0.01 . 1 . . . . 83 SER CB . 19819 1 449 . 1 1 83 83 SER N N 15 117.39 0.01 . 1 . . . . 83 SER N . 19819 1 450 . 1 1 84 84 SER H H 1 7.933 0.01 . 1 . . . . 84 SER H . 19819 1 451 . 1 1 84 84 SER HA H 1 4.313 0.01 . 1 . . . . 84 SER HA . 19819 1 452 . 1 1 84 84 SER C C 13 175.42 0.01 . 1 . . . . 84 SER C . 19819 1 453 . 1 1 84 84 SER CA C 13 60.86 0.01 . 1 . . . . 84 SER CA . 19819 1 454 . 1 1 84 84 SER CB C 13 63.09 0.01 . 1 . . . . 84 SER CB . 19819 1 455 . 1 1 84 84 SER N N 15 117.60 0.01 . 1 . . . . 84 SER N . 19819 1 456 . 1 1 85 85 LEU H H 1 7.854 0.01 . 1 . . . . 85 LEU H . 19819 1 457 . 1 1 85 85 LEU HA H 1 4.688 0.01 . 1 . . . . 85 LEU HA . 19819 1 458 . 1 1 85 85 LEU C C 13 176.97 0.01 . 1 . . . . 85 LEU C . 19819 1 459 . 1 1 85 85 LEU CA C 13 54.10 0.01 . 1 . . . . 85 LEU CA . 19819 1 460 . 1 1 85 85 LEU CB C 13 43.84 0.01 . 1 . . . . 85 LEU CB . 19819 1 461 . 1 1 85 85 LEU N N 15 120.81 0.01 . 1 . . . . 85 LEU N . 19819 1 462 . 1 1 86 86 GLU H H 1 7.546 0.01 . 1 . . . . 86 GLU H . 19819 1 463 . 1 1 86 86 GLU HA H 1 3.823 0.01 . 1 . . . . 86 GLU HA . 19819 1 464 . 1 1 86 86 GLU C C 13 178.48 0.01 . 1 . . . . 86 GLU C . 19819 1 465 . 1 1 86 86 GLU CA C 13 61.75 0.01 . 1 . . . . 86 GLU CA . 19819 1 466 . 1 1 86 86 GLU CB C 13 30.29 0.01 . 1 . . . . 86 GLU CB . 19819 1 467 . 1 1 86 86 GLU N N 15 121.29 0.01 . 1 . . . . 86 GLU N . 19819 1 468 . 1 1 87 87 GLU H H 1 8.924 0.01 . 1 . . . . 87 GLU H . 19819 1 469 . 1 1 87 87 GLU HA H 1 4.194 0.01 . 1 . . . . 87 GLU HA . 19819 1 470 . 1 1 87 87 GLU C C 13 179.42 0.01 . 1 . . . . 87 GLU C . 19819 1 471 . 1 1 87 87 GLU CA C 13 60.39 0.01 . 1 . . . . 87 GLU CA . 19819 1 472 . 1 1 87 87 GLU CB C 13 29.05 0.01 . 1 . . . . 87 GLU CB . 19819 1 473 . 1 1 87 87 GLU N N 15 120.69 0.01 . 1 . . . . 87 GLU N . 19819 1 474 . 1 1 88 88 TYR H H 1 8.566 0.01 . 1 . . . . 88 TYR H . 19819 1 475 . 1 1 88 88 TYR HA H 1 4.362 0.01 . 1 . . . . 88 TYR HA . 19819 1 476 . 1 1 88 88 TYR C C 13 178.61 0.01 . 1 . . . . 88 TYR C . 19819 1 477 . 1 1 88 88 TYR CA C 13 61.53 0.01 . 1 . . . . 88 TYR CA . 19819 1 478 . 1 1 88 88 TYR CB C 13 38.24 0.01 . 1 . . . . 88 TYR CB . 19819 1 479 . 1 1 88 88 TYR N N 15 122.20 0.01 . 1 . . . . 88 TYR N . 19819 1 480 . 1 1 89 89 LEU H H 1 9.009 0.01 . 1 . . . . 89 LEU H . 19819 1 481 . 1 1 89 89 LEU HA H 1 4.136 0.01 . 1 . . . . 89 LEU HA . 19819 1 482 . 1 1 89 89 LEU C C 13 180.16 0.01 . 1 . . . . 89 LEU C . 19819 1 483 . 1 1 89 89 LEU CA C 13 58.17 0.01 . 1 . . . . 89 LEU CA . 19819 1 484 . 1 1 89 89 LEU CB C 13 41.89 0.01 . 1 . . . . 89 LEU CB . 19819 1 485 . 1 1 89 89 LEU N N 15 119.21 0.01 . 1 . . . . 89 LEU N . 19819 1 486 . 1 1 90 90 THR H H 1 9.058 0.01 . 1 . . . . 90 THR H . 19819 1 487 . 1 1 90 90 THR HA H 1 4.539 0.01 . 1 . . . . 90 THR HA . 19819 1 488 . 1 1 90 90 THR C C 13 177.46 0.01 . 1 . . . . 90 THR C . 19819 1 489 . 1 1 90 90 THR CA C 13 68.40 0.01 . 1 . . . . 90 THR CA . 19819 1 490 . 1 1 90 90 THR CB C 13 68.70 0.01 . 1 . . . . 90 THR CB . 19819 1 491 . 1 1 90 90 THR N N 15 119.46 0.01 . 1 . . . . 90 THR N . 19819 1 492 . 1 1 91 91 SER H H 1 8.372 0.01 . 1 . . . . 91 SER H . 19819 1 493 . 1 1 91 91 SER HA H 1 4.606 0.01 . 1 . . . . 91 SER HA . 19819 1 494 . 1 1 91 91 SER C C 13 178.22 0.01 . 1 . . . . 91 SER C . 19819 1 495 . 1 1 91 91 SER CA C 13 62.84 0.01 . 1 . . . . 91 SER CA . 19819 1 496 . 1 1 91 91 SER CB C 13 62.84 0.01 . 1 . . . . 91 SER CB . 19819 1 497 . 1 1 91 91 SER N N 15 119.23 0.01 . 1 . . . . 91 SER N . 19819 1 498 . 1 1 92 92 LEU H H 1 9.144 0.01 . 1 . . . . 92 LEU H . 19819 1 499 . 1 1 92 92 LEU HA H 1 5.545 0.01 . 1 . . . . 92 LEU HA . 19819 1 500 . 1 1 92 92 LEU C C 13 184.66 0.01 . 1 . . . . 92 LEU C . 19819 1 501 . 1 1 92 92 LEU CA C 13 58.80 0.01 . 1 . . . . 92 LEU CA . 19819 1 502 . 1 1 92 92 LEU CB C 13 43.47 0.01 . 1 . . . . 92 LEU CB . 19819 1 503 . 1 1 92 92 LEU N N 15 125.47 0.01 . 1 . . . . 92 LEU N . 19819 1 504 . 1 1 93 93 GLY H H 1 10.410 0.01 . 1 . . . . 93 GLY H . 19819 1 505 . 1 1 93 93 GLY HA2 H 1 6.247 0.01 . 2 . . . . 93 GLY HA2 . 19819 1 506 . 1 1 93 93 GLY HA3 H 1 6.118 0.01 . 2 . . . . 93 GLY HA3 . 19819 1 507 . 1 1 93 93 GLY C C 13 176.14 0.01 . 1 . . . . 93 GLY C . 19819 1 508 . 1 1 93 93 GLY CA C 13 50.42 0.01 . 1 . . . . 93 GLY CA . 19819 1 509 . 1 1 93 93 GLY N N 15 116.16 0.01 . 1 . . . . 93 GLY N . 19819 1 510 . 1 1 94 94 ARG H H 1 9.412 0.01 . 1 . . . . 94 ARG H . 19819 1 511 . 1 1 94 94 ARG HA H 1 4.591 0.01 . 1 . . . . 94 ARG HA . 19819 1 512 . 1 1 94 94 ARG C C 13 180.52 0.01 . 1 . . . . 94 ARG C . 19819 1 513 . 1 1 94 94 ARG CA C 13 61.24 0.01 . 1 . . . . 94 ARG CA . 19819 1 514 . 1 1 94 94 ARG CB C 13 30.26 0.01 . 1 . . . . 94 ARG CB . 19819 1 515 . 1 1 94 94 ARG N N 15 124.44 0.01 . 1 . . . . 94 ARG N . 19819 1 516 . 1 1 95 95 LYS H H 1 9.121 0.01 . 1 . . . . 95 LYS H . 19819 1 517 . 1 1 95 95 LYS HA H 1 5.094 0.01 . 1 . . . . 95 LYS HA . 19819 1 518 . 1 1 95 95 LYS C C 13 180.67 0.01 . 1 . . . . 95 LYS C . 19819 1 519 . 1 1 95 95 LYS CA C 13 60.71 0.01 . 1 . . . . 95 LYS CA . 19819 1 520 . 1 1 95 95 LYS CB C 13 33.54 0.01 . 1 . . . . 95 LYS CB . 19819 1 521 . 1 1 95 95 LYS N N 15 120.69 0.01 . 1 . . . . 95 LYS N . 19819 1 522 . 1 1 96 96 HIS H H 1 10.859 0.01 . 1 . . . . 96 HIS H . 19819 1 523 . 1 1 96 96 HIS HA H 1 6.896 0.01 . 1 . . . . 96 HIS HA . 19819 1 524 . 1 1 96 96 HIS C C 13 178.16 0.01 . 1 . . . . 96 HIS C . 19819 1 525 . 1 1 96 96 HIS CA C 13 70.19 0.01 . 1 . . . . 96 HIS CA . 19819 1 526 . 1 1 96 96 HIS CB C 13 27.04 0.01 . 1 . . . . 96 HIS CB . 19819 1 527 . 1 1 96 96 HIS N N 15 119.75 0.01 . 1 . . . . 96 HIS N . 19819 1 528 . 1 1 97 97 ARG H H 1 9.215 0.01 . 1 . . . . 97 ARG H . 19819 1 529 . 1 1 97 97 ARG HA H 1 4.068 0.01 . 1 . . . . 97 ARG HA . 19819 1 530 . 1 1 97 97 ARG C C 13 180.67 0.01 . 1 . . . . 97 ARG C . 19819 1 531 . 1 1 97 97 ARG CA C 13 60.07 0.01 . 1 . . . . 97 ARG CA . 19819 1 532 . 1 1 97 97 ARG CB C 13 28.99 0.01 . 1 . . . . 97 ARG CB . 19819 1 533 . 1 1 97 97 ARG N N 15 124.16 0.01 . 1 . . . . 97 ARG N . 19819 1 534 . 1 1 98 98 ALA H H 1 8.392 0.01 . 1 . . . . 98 ALA H . 19819 1 535 . 1 1 98 98 ALA HA H 1 4.395 0.01 . 1 . . . . 98 ALA HA . 19819 1 536 . 1 1 98 98 ALA C C 13 179.61 0.01 . 1 . . . . 98 ALA C . 19819 1 537 . 1 1 98 98 ALA CA C 13 55.38 0.01 . 1 . . . . 98 ALA CA . 19819 1 538 . 1 1 98 98 ALA CB C 13 18.77 0.01 . 1 . . . . 98 ALA CB . 19819 1 539 . 1 1 98 98 ALA N N 15 121.07 0.01 . 1 . . . . 98 ALA N . 19819 1 540 . 1 1 99 99 VAL H H 1 7.830 0.01 . 1 . . . . 99 VAL H . 19819 1 541 . 1 1 99 99 VAL HA H 1 4.481 0.01 . 1 . . . . 99 VAL HA . 19819 1 542 . 1 1 99 99 VAL C C 13 175.70 0.01 . 1 . . . . 99 VAL C . 19819 1 543 . 1 1 99 99 VAL CA C 13 61.91 0.01 . 1 . . . . 99 VAL CA . 19819 1 544 . 1 1 99 99 VAL CB C 13 31.75 0.01 . 1 . . . . 99 VAL CB . 19819 1 545 . 1 1 99 99 VAL N N 15 111.53 0.01 . 1 . . . . 99 VAL N . 19819 1 546 . 1 1 100 100 GLY H H 1 7.604 0.01 . 1 . . . . 100 GLY H . 19819 1 547 . 1 1 100 100 GLY HA2 H 1 4.108 0.01 . 2 . . . . 100 GLY HA2 . 19819 1 548 . 1 1 100 100 GLY HA3 H 1 3.624 0.01 . 2 . . . . 100 GLY HA3 . 19819 1 549 . 1 1 100 100 GLY C C 13 174.70 0.01 . 1 . . . . 100 GLY C . 19819 1 550 . 1 1 100 100 GLY CA C 13 45.32 0.01 . 1 . . . . 100 GLY CA . 19819 1 551 . 1 1 100 100 GLY N N 15 105.84 0.01 . 1 . . . . 100 GLY N . 19819 1 552 . 1 1 101 101 VAL H H 1 7.325 0.01 . 1 . . . . 101 VAL H . 19819 1 553 . 1 1 101 101 VAL HA H 1 2.773 0.01 . 1 . . . . 101 VAL HA . 19819 1 554 . 1 1 101 101 VAL C C 13 174.96 0.01 . 1 . . . . 101 VAL C . 19819 1 555 . 1 1 101 101 VAL CA C 13 62.94 0.01 . 1 . . . . 101 VAL CA . 19819 1 556 . 1 1 101 101 VAL CB C 13 30.80 0.01 . 1 . . . . 101 VAL CB . 19819 1 557 . 1 1 101 101 VAL N N 15 120.75 0.01 . 1 . . . . 101 VAL N . 19819 1 558 . 1 1 102 102 ARG H H 1 8.769 0.01 . 1 . . . . 102 ARG H . 19819 1 559 . 1 1 102 102 ARG HA H 1 4.412 0.01 . 1 . . . . 102 ARG HA . 19819 1 560 . 1 1 102 102 ARG C C 13 176.75 0.01 . 1 . . . . 102 ARG C . 19819 1 561 . 1 1 102 102 ARG CA C 13 54.27 0.01 . 1 . . . . 102 ARG CA . 19819 1 562 . 1 1 102 102 ARG CB C 13 31.10 0.01 . 1 . . . . 102 ARG CB . 19819 1 563 . 1 1 102 102 ARG N N 15 127.83 0.01 . 1 . . . . 102 ARG N . 19819 1 564 . 1 1 103 103 LEU H H 1 8.233 0.01 . 1 . . . . 103 LEU H . 19819 1 565 . 1 1 103 103 LEU HA H 1 3.206 0.01 . 1 . . . . 103 LEU HA . 19819 1 566 . 1 1 103 103 LEU C C 13 180.22 0.01 . 1 . . . . 103 LEU C . 19819 1 567 . 1 1 103 103 LEU CA C 13 57.20 0.01 . 1 . . . . 103 LEU CA . 19819 1 568 . 1 1 103 103 LEU CB C 13 41.86 0.01 . 1 . . . . 103 LEU CB . 19819 1 569 . 1 1 103 103 LEU N N 15 121.90 0.01 . 1 . . . . 103 LEU N . 19819 1 570 . 1 1 104 104 SER H H 1 7.936 0.01 . 1 . . . . 104 SER H . 19819 1 571 . 1 1 104 104 SER HA H 1 3.932 0.01 . 1 . . . . 104 SER HA . 19819 1 572 . 1 1 104 104 SER C C 13 176.76 0.01 . 1 . . . . 104 SER C . 19819 1 573 . 1 1 104 104 SER CA C 13 60.35 0.01 . 1 . . . . 104 SER CA . 19819 1 574 . 1 1 104 104 SER CB C 13 61.99 0.01 . 1 . . . . 104 SER CB . 19819 1 575 . 1 1 104 104 SER N N 15 112.29 0.01 . 1 . . . . 104 SER N . 19819 1 576 . 1 1 105 105 SER H H 1 7.305 0.01 . 1 . . . . 105 SER H . 19819 1 577 . 1 1 105 105 SER HA H 1 4.258 0.01 . 1 . . . . 105 SER HA . 19819 1 578 . 1 1 105 105 SER C C 13 174.88 0.01 . 1 . . . . 105 SER C . 19819 1 579 . 1 1 105 105 SER CA C 13 60.79 0.01 . 1 . . . . 105 SER CA . 19819 1 580 . 1 1 105 105 SER CB C 13 62.10 0.01 . 1 . . . . 105 SER CB . 19819 1 581 . 1 1 105 105 SER N N 15 117.28 0.01 . 1 . . . . 105 SER N . 19819 1 582 . 1 1 106 106 PHE H H 1 7.478 0.01 . 1 . . . . 106 PHE H . 19819 1 583 . 1 1 106 106 PHE HA H 1 3.291 0.01 . 1 . . . . 106 PHE HA . 19819 1 584 . 1 1 106 106 PHE C C 13 180.77 0.01 . 1 . . . . 106 PHE C . 19819 1 585 . 1 1 106 106 PHE CA C 13 62.69 0.01 . 1 . . . . 106 PHE CA . 19819 1 586 . 1 1 106 106 PHE CB C 13 37.67 0.01 . 1 . . . . 106 PHE CB . 19819 1 587 . 1 1 106 106 PHE N N 15 118.52 0.01 . 1 . . . . 106 PHE N . 19819 1 588 . 1 1 107 107 SER HA H 1 3.911 0.01 . 1 . . . . 107 SER HA . 19819 1 589 . 1 1 107 107 SER C C 13 176.14 0.01 . 1 . . . . 107 SER C . 19819 1 590 . 1 1 107 107 SER CA C 13 61.91 0.01 . 1 . . . . 107 SER CA . 19819 1 591 . 1 1 107 107 SER CB C 13 61.91 0.01 . 1 . . . . 107 SER CB . 19819 1 592 . 1 1 108 108 THR H H 1 7.040 0.01 . 1 . . . . 108 THR H . 19819 1 593 . 1 1 108 108 THR HA H 1 3.805 0.01 . 1 . . . . 108 THR HA . 19819 1 594 . 1 1 108 108 THR C C 13 178.12 0.01 . 1 . . . . 108 THR C . 19819 1 595 . 1 1 108 108 THR CA C 13 65.06 0.01 . 1 . . . . 108 THR CA . 19819 1 596 . 1 1 108 108 THR CB C 13 67.65 0.01 . 1 . . . . 108 THR CB . 19819 1 597 . 1 1 108 108 THR N N 15 119.12 0.01 . 1 . . . . 108 THR N . 19819 1 598 . 1 1 109 109 VAL H H 1 7.168 0.01 . 1 . . . . 109 VAL H . 19819 1 599 . 1 1 109 109 VAL HA H 1 3.349 0.01 . 1 . . . . 109 VAL HA . 19819 1 600 . 1 1 109 109 VAL C C 13 177.20 0.01 . 1 . . . . 109 VAL C . 19819 1 601 . 1 1 109 109 VAL CA C 13 67.19 0.01 . 1 . . . . 109 VAL CA . 19819 1 602 . 1 1 109 109 VAL CB C 13 30.50 0.01 . 1 . . . . 109 VAL CB . 19819 1 603 . 1 1 109 109 VAL N N 15 122.78 0.01 . 1 . . . . 109 VAL N . 19819 1 604 . 1 1 110 110 GLY H H 1 7.422 0.01 . 1 . . . . 110 GLY H . 19819 1 605 . 1 1 110 110 GLY HA2 H 1 3.463 0.01 . 2 . . . . 110 GLY HA2 . 19819 1 606 . 1 1 110 110 GLY HA3 H 1 2.429 0.01 . 2 . . . . 110 GLY HA3 . 19819 1 607 . 1 1 110 110 GLY C C 13 175.57 0.01 . 1 . . . . 110 GLY C . 19819 1 608 . 1 1 110 110 GLY CA C 13 48.11 0.01 . 1 . . . . 110 GLY CA . 19819 1 609 . 1 1 110 110 GLY N N 15 107.51 0.01 . 1 . . . . 110 GLY N . 19819 1 610 . 1 1 111 111 GLU H H 1 7.858 0.01 . 1 . . . . 111 GLU H . 19819 1 611 . 1 1 111 111 GLU HA H 1 3.952 0.01 . 1 . . . . 111 GLU HA . 19819 1 612 . 1 1 111 111 GLU C C 13 180.29 0.01 . 1 . . . . 111 GLU C . 19819 1 613 . 1 1 111 111 GLU CA C 13 59.41 0.01 . 1 . . . . 111 GLU CA . 19819 1 614 . 1 1 111 111 GLU CB C 13 29.34 0.01 . 1 . . . . 111 GLU CB . 19819 1 615 . 1 1 111 111 GLU N N 15 119.67 0.01 . 1 . . . . 111 GLU N . 19819 1 616 . 1 1 112 112 SER H H 1 7.813 0.01 . 1 . . . . 112 SER H . 19819 1 617 . 1 1 112 112 SER HA H 1 4.128 0.01 . 1 . . . . 112 SER HA . 19819 1 618 . 1 1 112 112 SER C C 13 175.24 0.01 . 1 . . . . 112 SER C . 19819 1 619 . 1 1 112 112 SER CA C 13 63.02 0.01 . 1 . . . . 112 SER CA . 19819 1 620 . 1 1 112 112 SER CB C 13 63.02 0.01 . 1 . . . . 112 SER CB . 19819 1 621 . 1 1 112 112 SER N N 15 118.31 0.01 . 1 . . . . 112 SER N . 19819 1 622 . 1 1 113 113 LEU H H 1 8.578 0.01 . 1 . . . . 113 LEU H . 19819 1 623 . 1 1 113 113 LEU HA H 1 4.039 0.01 . 1 . . . . 113 LEU HA . 19819 1 624 . 1 1 113 113 LEU C C 13 177.96 0.01 . 1 . . . . 113 LEU C . 19819 1 625 . 1 1 113 113 LEU CA C 13 58.73 0.01 . 1 . . . . 113 LEU CA . 19819 1 626 . 1 1 113 113 LEU CB C 13 42.06 0.01 . 1 . . . . 113 LEU CB . 19819 1 627 . 1 1 113 113 LEU N N 15 125.42 0.01 . 1 . . . . 113 LEU N . 19819 1 628 . 1 1 114 114 LEU H H 1 8.006 0.01 . 1 . . . . 114 LEU H . 19819 1 629 . 1 1 114 114 LEU HA H 1 3.881 0.01 . 1 . . . . 114 LEU HA . 19819 1 630 . 1 1 114 114 LEU C C 13 178.90 0.01 . 1 . . . . 114 LEU C . 19819 1 631 . 1 1 114 114 LEU CA C 13 58.50 0.01 . 1 . . . . 114 LEU CA . 19819 1 632 . 1 1 114 114 LEU CB C 13 40.85 0.01 . 1 . . . . 114 LEU CB . 19819 1 633 . 1 1 114 114 LEU N N 15 117.28 0.01 . 1 . . . . 114 LEU N . 19819 1 634 . 1 1 115 115 TYR H H 1 8.143 0.01 . 1 . . . . 115 TYR H . 19819 1 635 . 1 1 115 115 TYR HA H 1 4.123 0.01 . 1 . . . . 115 TYR HA . 19819 1 636 . 1 1 115 115 TYR C C 13 176.63 0.01 . 1 . . . . 115 TYR C . 19819 1 637 . 1 1 115 115 TYR CA C 13 61.80 0.01 . 1 . . . . 115 TYR CA . 19819 1 638 . 1 1 115 115 TYR CB C 13 38.81 0.01 . 1 . . . . 115 TYR CB . 19819 1 639 . 1 1 115 115 TYR N N 15 121.18 0.01 . 1 . . . . 115 TYR N . 19819 1 640 . 1 1 116 116 MET H H 1 8.309 0.01 . 1 . . . . 116 MET H . 19819 1 641 . 1 1 116 116 MET HA H 1 3.792 0.01 . 1 . . . . 116 MET HA . 19819 1 642 . 1 1 116 116 MET C C 13 179.05 0.01 . 1 . . . . 116 MET C . 19819 1 643 . 1 1 116 116 MET CA C 13 59.40 0.01 . 1 . . . . 116 MET CA . 19819 1 644 . 1 1 116 116 MET CB C 13 31.88 0.01 . 1 . . . . 116 MET CB . 19819 1 645 . 1 1 116 116 MET N N 15 119.82 0.01 . 1 . . . . 116 MET N . 19819 1 646 . 1 1 117 117 LEU H H 1 7.963 0.01 . 1 . . . . 117 LEU H . 19819 1 647 . 1 1 117 117 LEU HA H 1 3.460 0.01 . 1 . . . . 117 LEU HA . 19819 1 648 . 1 1 117 117 LEU C C 13 177.53 0.01 . 1 . . . . 117 LEU C . 19819 1 649 . 1 1 117 117 LEU CA C 13 57.88 0.01 . 1 . . . . 117 LEU CA . 19819 1 650 . 1 1 117 117 LEU CB C 13 42.13 0.01 . 1 . . . . 117 LEU CB . 19819 1 651 . 1 1 117 117 LEU N N 15 121.66 0.01 . 1 . . . . 117 LEU N . 19819 1 652 . 1 1 118 118 GLU H H 1 7.955 0.01 . 1 . . . . 118 GLU H . 19819 1 653 . 1 1 118 118 GLU HA H 1 3.253 0.01 . 1 . . . . 118 GLU HA . 19819 1 654 . 1 1 118 118 GLU C C 13 179.83 0.01 . 1 . . . . 118 GLU C . 19819 1 655 . 1 1 118 118 GLU CA C 13 59.92 0.01 . 1 . . . . 118 GLU CA . 19819 1 656 . 1 1 118 118 GLU CB C 13 29.32 0.01 . 1 . . . . 118 GLU CB . 19819 1 657 . 1 1 118 118 GLU N N 15 121.35 0.01 . 1 . . . . 118 GLU N . 19819 1 658 . 1 1 119 119 LYS H H 1 8.095 0.01 . 1 . . . . 119 LYS H . 19819 1 659 . 1 1 119 119 LYS HA H 1 3.885 0.01 . 1 . . . . 119 LYS HA . 19819 1 660 . 1 1 119 119 LYS C C 13 178.82 0.01 . 1 . . . . 119 LYS C . 19819 1 661 . 1 1 119 119 LYS CA C 13 57.61 0.01 . 1 . . . . 119 LYS CA . 19819 1 662 . 1 1 119 119 LYS CB C 13 31.46 0.01 . 1 . . . . 119 LYS CB . 19819 1 663 . 1 1 119 119 LYS N N 15 118.35 0.01 . 1 . . . . 119 LYS N . 19819 1 664 . 1 1 120 120 SER H H 1 7.729 0.01 . 1 . . . . 120 SER H . 19819 1 665 . 1 1 120 120 SER HA H 1 4.238 0.01 . 1 . . . . 120 SER HA . 19819 1 666 . 1 1 120 120 SER C C 13 176.27 0.01 . 1 . . . . 120 SER C . 19819 1 667 . 1 1 120 120 SER CA C 13 60.52 0.01 . 1 . . . . 120 SER CA . 19819 1 668 . 1 1 120 120 SER CB C 13 63.56 0.01 . 1 . . . . 120 SER CB . 19819 1 669 . 1 1 120 120 SER N N 15 112.47 0.01 . 1 . . . . 120 SER N . 19819 1 670 . 1 1 121 121 LEU H H 1 8.126 0.01 . 1 . . . . 121 LEU H . 19819 1 671 . 1 1 121 121 LEU HA H 1 4.415 0.01 . 1 . . . . 121 LEU HA . 19819 1 672 . 1 1 121 121 LEU C C 13 179.32 0.01 . 1 . . . . 121 LEU C . 19819 1 673 . 1 1 121 121 LEU CA C 13 55.71 0.01 . 1 . . . . 121 LEU CA . 19819 1 674 . 1 1 121 121 LEU CB C 13 44.31 0.01 . 1 . . . . 121 LEU CB . 19819 1 675 . 1 1 121 121 LEU N N 15 118.80 0.01 . 1 . . . . 121 LEU N . 19819 1 676 . 1 1 122 122 GLY H H 1 8.197 0.01 . 1 . . . . 122 GLY H . 19819 1 677 . 1 1 122 122 GLY HA2 H 1 4.196 0.01 . 2 . . . . 122 GLY HA2 . 19819 1 678 . 1 1 122 122 GLY HA3 H 1 3.786 0.01 . 2 . . . . 122 GLY HA3 . 19819 1 679 . 1 1 122 122 GLY C C 13 174.95 0.01 . 1 . . . . 122 GLY C . 19819 1 680 . 1 1 122 122 GLY CA C 13 45.62 0.01 . 1 . . . . 122 GLY CA . 19819 1 681 . 1 1 122 122 GLY N N 15 111.97 0.01 . 1 . . . . 122 GLY N . 19819 1 682 . 1 1 123 123 PRO HA H 1 4.461 0.01 . 1 . . . . 123 PRO HA . 19819 1 683 . 1 1 123 123 PRO C C 13 177.28 0.01 . 1 . . . . 123 PRO C . 19819 1 684 . 1 1 123 123 PRO CA C 13 64.29 0.01 . 1 . . . . 123 PRO CA . 19819 1 685 . 1 1 123 123 PRO CB C 13 32.03 0.01 . 1 . . . . 123 PRO CB . 19819 1 686 . 1 1 124 124 ASP H H 1 7.617 0.01 . 1 . . . . 124 ASP H . 19819 1 687 . 1 1 124 124 ASP HA H 1 4.796 0.01 . 1 . . . . 124 ASP HA . 19819 1 688 . 1 1 124 124 ASP C C 13 176.87 0.01 . 1 . . . . 124 ASP C . 19819 1 689 . 1 1 124 124 ASP CA C 13 55.60 0.01 . 1 . . . . 124 ASP CA . 19819 1 690 . 1 1 124 124 ASP CB C 13 40.49 0.01 . 1 . . . . 124 ASP CB . 19819 1 691 . 1 1 124 124 ASP N N 15 116.28 0.01 . 1 . . . . 124 ASP N . 19819 1 692 . 1 1 125 125 PHE H H 1 8.482 0.01 . 1 . . . . 125 PHE H . 19819 1 693 . 1 1 125 125 PHE HA H 1 4.816 0.01 . 1 . . . . 125 PHE HA . 19819 1 694 . 1 1 125 125 PHE C C 13 173.80 0.01 . 1 . . . . 125 PHE C . 19819 1 695 . 1 1 125 125 PHE CA C 13 56.41 0.01 . 1 . . . . 125 PHE CA . 19819 1 696 . 1 1 125 125 PHE CB C 13 36.97 0.01 . 1 . . . . 125 PHE CB . 19819 1 697 . 1 1 125 125 PHE N N 15 125.68 0.01 . 1 . . . . 125 PHE N . 19819 1 698 . 1 1 126 126 THR H H 1 7.257 0.01 . 1 . . . . 126 THR H . 19819 1 699 . 1 1 126 126 THR HA H 1 4.618 0.01 . 1 . . . . 126 THR HA . 19819 1 700 . 1 1 126 126 THR C C 13 173.12 0.01 . 1 . . . . 126 THR C . 19819 1 701 . 1 1 126 126 THR CA C 13 60.23 0.01 . 1 . . . . 126 THR CA . 19819 1 702 . 1 1 126 126 THR CB C 13 68.81 0.01 . 1 . . . . 126 THR CB . 19819 1 703 . 1 1 126 126 THR N N 15 114.29 0.01 . 1 . . . . 126 THR N . 19819 1 704 . 1 1 127 127 PRO HA H 1 4.137 0.01 . 1 . . . . 127 PRO HA . 19819 1 705 . 1 1 127 127 PRO C C 13 179.07 0.01 . 1 . . . . 127 PRO C . 19819 1 706 . 1 1 127 127 PRO CA C 13 66.28 0.01 . 1 . . . . 127 PRO CA . 19819 1 707 . 1 1 127 127 PRO CB C 13 31.58 0.01 . 1 . . . . 127 PRO CB . 19819 1 708 . 1 1 128 128 ALA H H 1 8.283 0.01 . 1 . . . . 128 ALA H . 19819 1 709 . 1 1 128 128 ALA HA H 1 4.109 0.01 . 1 . . . . 128 ALA HA . 19819 1 710 . 1 1 128 128 ALA C C 13 180.77 0.01 . 1 . . . . 128 ALA C . 19819 1 711 . 1 1 128 128 ALA CA C 13 55.22 0.01 . 1 . . . . 128 ALA CA . 19819 1 712 . 1 1 128 128 ALA CB C 13 18.61 0.01 . 1 . . . . 128 ALA CB . 19819 1 713 . 1 1 128 128 ALA N N 15 118.32 0.01 . 1 . . . . 128 ALA N . 19819 1 714 . 1 1 129 129 THR H H 1 7.821 0.01 . 1 . . . . 129 THR H . 19819 1 715 . 1 1 129 129 THR HA H 1 3.793 0.01 . 1 . . . . 129 THR HA . 19819 1 716 . 1 1 129 129 THR C C 13 175.49 0.01 . 1 . . . . 129 THR C . 19819 1 717 . 1 1 129 129 THR CA C 13 68.00 0.01 . 1 . . . . 129 THR CA . 19819 1 718 . 1 1 129 129 THR CB C 13 68.00 0.01 . 1 . . . . 129 THR CB . 19819 1 719 . 1 1 129 129 THR N N 15 119.26 0.01 . 1 . . . . 129 THR N . 19819 1 720 . 1 1 130 130 ARG H H 1 8.089 0.01 . 1 . . . . 130 ARG H . 19819 1 721 . 1 1 130 130 ARG HA H 1 3.695 0.01 . 1 . . . . 130 ARG HA . 19819 1 722 . 1 1 130 130 ARG C C 13 178.72 0.01 . 1 . . . . 130 ARG C . 19819 1 723 . 1 1 130 130 ARG CA C 13 60.20 0.01 . 1 . . . . 130 ARG CA . 19819 1 724 . 1 1 130 130 ARG CB C 13 29.74 0.01 . 1 . . . . 130 ARG CB . 19819 1 725 . 1 1 130 130 ARG N N 15 123.77 0.01 . 1 . . . . 130 ARG N . 19819 1 726 . 1 1 131 131 THR H H 1 8.527 0.01 . 1 . . . . 131 THR H . 19819 1 727 . 1 1 131 131 THR HA H 1 3.841 0.01 . 1 . . . . 131 THR HA . 19819 1 728 . 1 1 131 131 THR C C 13 176.21 0.01 . 1 . . . . 131 THR C . 19819 1 729 . 1 1 131 131 THR CA C 13 66.92 0.01 . 1 . . . . 131 THR CA . 19819 1 730 . 1 1 131 131 THR CB C 13 68.84 0.01 . 1 . . . . 131 THR CB . 19819 1 731 . 1 1 131 131 THR N N 15 117.61 0.01 . 1 . . . . 131 THR N . 19819 1 732 . 1 1 132 132 ALA H H 1 7.925 0.01 . 1 . . . . 132 ALA H . 19819 1 733 . 1 1 132 132 ALA HA H 1 4.016 0.01 . 1 . . . . 132 ALA HA . 19819 1 734 . 1 1 132 132 ALA C C 13 179.92 0.01 . 1 . . . . 132 ALA C . 19819 1 735 . 1 1 132 132 ALA CA C 13 55.87 0.01 . 1 . . . . 132 ALA CA . 19819 1 736 . 1 1 132 132 ALA CB C 13 18.15 0.01 . 1 . . . . 132 ALA CB . 19819 1 737 . 1 1 132 132 ALA N N 15 124.39 0.01 . 1 . . . . 132 ALA N . 19819 1 738 . 1 1 133 133 TRP H H 1 8.362 0.01 . 1 . . . . 133 TRP H . 19819 1 739 . 1 1 133 133 TRP HA H 1 4.038 0.01 . 1 . . . . 133 TRP HA . 19819 1 740 . 1 1 133 133 TRP C C 13 178.95 0.01 . 1 . . . . 133 TRP C . 19819 1 741 . 1 1 133 133 TRP CA C 13 62.24 0.01 . 1 . . . . 133 TRP CA . 19819 1 742 . 1 1 133 133 TRP CB C 13 29.44 0.01 . 1 . . . . 133 TRP CB . 19819 1 743 . 1 1 133 133 TRP N N 15 118.35 0.01 . 1 . . . . 133 TRP N . 19819 1 744 . 1 1 134 134 SER H H 1 8.684 0.01 . 1 . . . . 134 SER H . 19819 1 745 . 1 1 134 134 SER HA H 1 4.335 0.01 . 1 . . . . 134 SER HA . 19819 1 746 . 1 1 134 134 SER C C 13 177.70 0.01 . 1 . . . . 134 SER C . 19819 1 747 . 1 1 134 134 SER CA C 13 62.78 0.01 . 1 . . . . 134 SER CA . 19819 1 748 . 1 1 134 134 SER CB C 13 62.78 0.01 . 1 . . . . 134 SER CB . 19819 1 749 . 1 1 134 134 SER N N 15 115.87 0.01 . 1 . . . . 134 SER N . 19819 1 750 . 1 1 135 135 ARG H H 1 8.077 0.01 . 1 . . . . 135 ARG H . 19819 1 751 . 1 1 135 135 ARG HA H 1 4.086 0.01 . 1 . . . . 135 ARG HA . 19819 1 752 . 1 1 135 135 ARG C C 13 178.91 0.01 . 1 . . . . 135 ARG C . 19819 1 753 . 1 1 135 135 ARG CA C 13 59.72 0.01 . 1 . . . . 135 ARG CA . 19819 1 754 . 1 1 135 135 ARG CB C 13 29.76 0.01 . 1 . . . . 135 ARG CB . 19819 1 755 . 1 1 135 135 ARG N N 15 123.71 0.01 . 1 . . . . 135 ARG N . 19819 1 756 . 1 1 136 136 LEU H H 1 8.081 0.01 . 1 . . . . 136 LEU H . 19819 1 757 . 1 1 136 136 LEU HA H 1 3.984 0.01 . 1 . . . . 136 LEU HA . 19819 1 758 . 1 1 136 136 LEU C C 13 178.13 0.01 . 1 . . . . 136 LEU C . 19819 1 759 . 1 1 136 136 LEU CA C 13 58.44 0.01 . 1 . . . . 136 LEU CA . 19819 1 760 . 1 1 136 136 LEU CB C 13 41.53 0.01 . 1 . . . . 136 LEU CB . 19819 1 761 . 1 1 136 136 LEU N N 15 122.34 0.01 . 1 . . . . 136 LEU N . 19819 1 762 . 1 1 137 137 TYR H H 1 9.114 0.01 . 1 . . . . 137 TYR H . 19819 1 763 . 1 1 137 137 TYR HA H 1 3.823 0.01 . 1 . . . . 137 TYR HA . 19819 1 764 . 1 1 137 137 TYR C C 13 177.00 0.01 . 1 . . . . 137 TYR C . 19819 1 765 . 1 1 137 137 TYR CA C 13 62.99 0.01 . 1 . . . . 137 TYR CA . 19819 1 766 . 1 1 137 137 TYR CB C 13 38.21 0.01 . 1 . . . . 137 TYR CB . 19819 1 767 . 1 1 137 137 TYR N N 15 118.58 0.01 . 1 . . . . 137 TYR N . 19819 1 768 . 1 1 138 138 GLY H H 1 8.204 0.01 . 1 . . . . 138 GLY H . 19819 1 769 . 1 1 138 138 GLY HA2 H 1 3.768 0.01 . 2 . . . . 138 GLY HA2 . 19819 1 770 . 1 1 138 138 GLY HA3 H 1 3.464 0.01 . 2 . . . . 138 GLY HA3 . 19819 1 771 . 1 1 138 138 GLY C C 13 175.97 0.01 . 1 . . . . 138 GLY C . 19819 1 772 . 1 1 138 138 GLY CA C 13 47.28 0.01 . 1 . . . . 138 GLY CA . 19819 1 773 . 1 1 138 138 GLY N N 15 104.64 0.01 . 1 . . . . 138 GLY N . 19819 1 774 . 1 1 139 139 ALA H H 1 7.731 0.01 . 1 . . . . 139 ALA H . 19819 1 775 . 1 1 139 139 ALA HA H 1 3.994 0.01 . 1 . . . . 139 ALA HA . 19819 1 776 . 1 1 139 139 ALA C C 13 180.84 0.01 . 1 . . . . 139 ALA C . 19819 1 777 . 1 1 139 139 ALA CA C 13 55.28 0.01 . 1 . . . . 139 ALA CA . 19819 1 778 . 1 1 139 139 ALA CB C 13 18.20 0.01 . 1 . . . . 139 ALA CB . 19819 1 779 . 1 1 139 139 ALA N N 15 125.35 0.01 . 1 . . . . 139 ALA N . 19819 1 780 . 1 1 140 140 VAL H H 1 7.826 0.01 . 1 . . . . 140 VAL H . 19819 1 781 . 1 1 140 140 VAL HA H 1 3.384 0.01 . 1 . . . . 140 VAL HA . 19819 1 782 . 1 1 140 140 VAL C C 13 177.80 0.01 . 1 . . . . 140 VAL C . 19819 1 783 . 1 1 140 140 VAL CA C 13 66.71 0.01 . 1 . . . . 140 VAL CA . 19819 1 784 . 1 1 140 140 VAL CB C 13 31.15 0.01 . 1 . . . . 140 VAL CB . 19819 1 785 . 1 1 140 140 VAL N N 15 121.84 0.01 . 1 . . . . 140 VAL N . 19819 1 786 . 1 1 141 141 VAL H H 1 8.237 0.01 . 1 . . . . 141 VAL H . 19819 1 787 . 1 1 141 141 VAL HA H 1 2.641 0.01 . 1 . . . . 141 VAL HA . 19819 1 788 . 1 1 141 141 VAL C C 13 179.18 0.01 . 1 . . . . 141 VAL C . 19819 1 789 . 1 1 141 141 VAL CA C 13 66.49 0.01 . 1 . . . . 141 VAL CA . 19819 1 790 . 1 1 141 141 VAL CB C 13 30.87 0.01 . 1 . . . . 141 VAL CB . 19819 1 791 . 1 1 141 141 VAL N N 15 119.64 0.01 . 1 . . . . 141 VAL N . 19819 1 792 . 1 1 142 142 GLN H H 1 8.203 0.01 . 1 . . . . 142 GLN H . 19819 1 793 . 1 1 142 142 GLN HA H 1 3.726 0.01 . 1 . . . . 142 GLN HA . 19819 1 794 . 1 1 142 142 GLN C C 13 178.50 0.01 . 1 . . . . 142 GLN C . 19819 1 795 . 1 1 142 142 GLN CA C 13 59.47 0.01 . 1 . . . . 142 GLN CA . 19819 1 796 . 1 1 142 142 GLN CB C 13 28.24 0.01 . 1 . . . . 142 GLN CB . 19819 1 797 . 1 1 142 142 GLN N N 15 121.58 0.01 . 1 . . . . 142 GLN N . 19819 1 798 . 1 1 143 143 ALA H H 1 7.334 0.01 . 1 . . . . 143 ALA H . 19819 1 799 . 1 1 143 143 ALA HA H 1 4.222 0.01 . 1 . . . . 143 ALA HA . 19819 1 800 . 1 1 143 143 ALA C C 13 180.47 0.01 . 1 . . . . 143 ALA C . 19819 1 801 . 1 1 143 143 ALA CA C 13 55.38 0.01 . 1 . . . . 143 ALA CA . 19819 1 802 . 1 1 143 143 ALA CB C 13 19.63 0.01 . 1 . . . . 143 ALA CB . 19819 1 803 . 1 1 143 143 ALA N N 15 120.17 0.01 . 1 . . . . 143 ALA N . 19819 1 804 . 1 1 144 144 MET H H 1 8.607 0.01 . 1 . . . . 144 MET H . 19819 1 805 . 1 1 144 144 MET HA H 1 4.735 0.01 . 1 . . . . 144 MET HA . 19819 1 806 . 1 1 144 144 MET C C 13 180.68 0.01 . 1 . . . . 144 MET C . 19819 1 807 . 1 1 144 144 MET CA C 13 60.15 0.01 . 1 . . . . 144 MET CA . 19819 1 808 . 1 1 144 144 MET CB C 13 34.66 0.01 . 1 . . . . 144 MET CB . 19819 1 809 . 1 1 144 144 MET N N 15 116.32 0.01 . 1 . . . . 144 MET N . 19819 1 810 . 1 1 145 145 SER H H 1 8.927 0.01 . 1 . . . . 145 SER H . 19819 1 811 . 1 1 145 145 SER HA H 1 4.620 0.01 . 1 . . . . 145 SER HA . 19819 1 812 . 1 1 145 145 SER C C 13 176.60 0.01 . 1 . . . . 145 SER C . 19819 1 813 . 1 1 145 145 SER CA C 13 62.69 0.01 . 1 . . . . 145 SER CA . 19819 1 814 . 1 1 145 145 SER CB C 13 62.69 0.01 . 1 . . . . 145 SER CB . 19819 1 815 . 1 1 145 145 SER N N 15 114.15 0.01 . 1 . . . . 145 SER N . 19819 1 816 . 1 1 146 146 ARG H H 1 7.688 0.01 . 1 . . . . 146 ARG H . 19819 1 817 . 1 1 146 146 ARG HA H 1 4.506 0.01 . 1 . . . . 146 ARG HA . 19819 1 818 . 1 1 146 146 ARG C C 13 179.46 0.01 . 1 . . . . 146 ARG C . 19819 1 819 . 1 1 146 146 ARG CA C 13 58.91 0.01 . 1 . . . . 146 ARG CA . 19819 1 820 . 1 1 146 146 ARG CB C 13 30.23 0.01 . 1 . . . . 146 ARG CB . 19819 1 821 . 1 1 146 146 ARG N N 15 123.57 0.01 . 1 . . . . 146 ARG N . 19819 1 822 . 1 1 147 147 GLY H H 1 9.191 0.01 . 1 . . . . 147 GLY H . 19819 1 823 . 1 1 147 147 GLY HA2 H 1 4.495 0.01 . 2 . . . . 147 GLY HA2 . 19819 1 824 . 1 1 147 147 GLY HA3 H 1 4.327 0.01 . 2 . . . . 147 GLY HA3 . 19819 1 825 . 1 1 147 147 GLY C C 13 173.71 0.01 . 1 . . . . 147 GLY C . 19819 1 826 . 1 1 147 147 GLY CA C 13 47.00 0.01 . 1 . . . . 147 GLY CA . 19819 1 827 . 1 1 147 147 GLY N N 15 106.99 0.01 . 1 . . . . 147 GLY N . 19819 1 828 . 1 1 148 148 TRP H H 1 8.436 0.01 . 1 . . . . 148 TRP H . 19819 1 829 . 1 1 148 148 TRP HA H 1 4.699 0.01 . 1 . . . . 148 TRP HA . 19819 1 830 . 1 1 148 148 TRP C C 13 176.28 0.01 . 1 . . . . 148 TRP C . 19819 1 831 . 1 1 148 148 TRP CA C 13 60.22 0.01 . 1 . . . . 148 TRP CA . 19819 1 832 . 1 1 148 148 TRP CB C 13 30.94 0.01 . 1 . . . . 148 TRP CB . 19819 1 833 . 1 1 148 148 TRP N N 15 122.00 0.01 . 1 . . . . 148 TRP N . 19819 1 834 . 1 1 149 149 ASP H H 1 7.886 0.01 . 1 . . . . 149 ASP H . 19819 1 835 . 1 1 149 149 ASP HA H 1 4.868 0.01 . 1 . . . . 149 ASP HA . 19819 1 836 . 1 1 149 149 ASP C C 13 176.85 0.01 . 1 . . . . 149 ASP C . 19819 1 837 . 1 1 149 149 ASP CA C 13 55.12 0.01 . 1 . . . . 149 ASP CA . 19819 1 838 . 1 1 149 149 ASP CB C 13 41.60 0.01 . 1 . . . . 149 ASP CB . 19819 1 839 . 1 1 149 149 ASP N N 15 120.20 0.01 . 1 . . . . 149 ASP N . 19819 1 840 . 1 1 150 150 GLY H H 1 8.446 0.01 . 1 . . . . 150 GLY H . 19819 1 841 . 1 1 150 150 GLY HA2 H 1 4.196 0.01 . 2 . . . . 150 GLY HA2 . 19819 1 842 . 1 1 150 150 GLY HA3 H 1 4.405 0.01 . 2 . . . . 150 GLY HA3 . 19819 1 843 . 1 1 150 150 GLY C C 13 173.59 0.01 . 1 . . . . 150 GLY C . 19819 1 844 . 1 1 150 150 GLY CA C 13 45.61 0.01 . 1 . . . . 150 GLY CA . 19819 1 845 . 1 1 150 150 GLY N N 15 109.42 0.01 . 1 . . . . 150 GLY N . 19819 1 846 . 1 1 151 151 GLU H H 1 8.172 0.01 . 1 . . . . 151 GLU H . 19819 1 847 . 1 1 151 151 GLU HA H 1 4.221 0.01 . 1 . . . . 151 GLU HA . 19819 1 848 . 1 1 151 151 GLU C C 13 181.68 0.01 . 1 . . . . 151 GLU C . 19819 1 849 . 1 1 151 151 GLU CA C 13 58.45 0.01 . 1 . . . . 151 GLU CA . 19819 1 850 . 1 1 151 151 GLU CB C 13 31.26 0.01 . 1 . . . . 151 GLU CB . 19819 1 851 . 1 1 151 151 GLU N N 15 126.03 0.01 . 1 . . . . 151 GLU N . 19819 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 19819 _Assigned_chem_shift_list.ID 2 _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 'ngbkcn_formA corresponds to the minor form (30%, form A)' _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 2 '3D 1H-15N NOESY' . . . 19819 2 5 '3D HNCACB' . . . 19819 2 7 '3D HNCO' . . . 19819 2 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 3 3 ARG H H 1 8.837 0.01 . 1 . . . . 3 ARG H . 19819 2 2 . 1 1 3 3 ARG N N 15 122.82 0.01 . 1 . . . . 3 ARG N . 19819 2 3 . 1 1 5 5 GLU HA H 1 3.932 0.01 . 1 . . . . 5 GLU HA . 19819 2 4 . 1 1 5 5 GLU C C 13 178.03 0.01 . 1 . . . . 5 GLU C . 19819 2 5 . 1 1 5 5 GLU CA C 13 59.55 0.01 . 1 . . . . 5 GLU CA . 19819 2 6 . 1 1 5 5 GLU CB C 13 29.43 0.01 . 1 . . . . 5 GLU CB . 19819 2 7 . 1 1 6 6 SER H H 1 8.184 0.01 . 1 . . . . 6 SER H . 19819 2 8 . 1 1 6 6 SER HA H 1 3.790 0.01 . 1 . . . . 6 SER HA . 19819 2 9 . 1 1 6 6 SER C C 13 176.41 0.01 . 1 . . . . 6 SER C . 19819 2 10 . 1 1 6 6 SER CA C 13 61.98 0.01 . 1 . . . . 6 SER CA . 19819 2 11 . 1 1 6 6 SER CB C 13 61.98 0.01 . 1 . . . . 6 SER CB . 19819 2 12 . 1 1 6 6 SER N N 15 116.62 0.01 . 1 . . . . 6 SER N . 19819 2 13 . 1 1 7 7 GLU H H 1 7.963 0.01 . 1 . . . . 7 GLU H . 19819 2 14 . 1 1 7 7 GLU HA H 1 4.163 0.01 . 1 . . . . 7 GLU HA . 19819 2 15 . 1 1 7 7 GLU C C 13 178.90 0.01 . 1 . . . . 7 GLU C . 19819 2 16 . 1 1 7 7 GLU CA C 13 58.93 0.01 . 1 . . . . 7 GLU CA . 19819 2 17 . 1 1 7 7 GLU CB C 13 29.47 0.01 . 1 . . . . 7 GLU CB . 19819 2 18 . 1 1 7 7 GLU N N 15 121.44 0.01 . 1 . . . . 7 GLU N . 19819 2 19 . 1 1 8 8 LEU H H 1 7.481 0.01 . 1 . . . . 8 LEU H . 19819 2 20 . 1 1 8 8 LEU HA H 1 4.191 0.01 . 1 . . . . 8 LEU HA . 19819 2 21 . 1 1 8 8 LEU C C 13 181.98 0.01 . 1 . . . . 8 LEU C . 19819 2 22 . 1 1 8 8 LEU CA C 13 57.62 0.01 . 1 . . . . 8 LEU CA . 19819 2 23 . 1 1 8 8 LEU CB C 13 41.50 0.01 . 1 . . . . 8 LEU CB . 19819 2 24 . 1 1 8 8 LEU N N 15 118.28 0.01 . 1 . . . . 8 LEU N . 19819 2 25 . 1 1 9 9 ILE H H 1 7.768 0.01 . 1 . . . . 9 ILE H . 19819 2 26 . 1 1 9 9 ILE HA H 1 3.402 0.01 . 1 . . . . 9 ILE HA . 19819 2 27 . 1 1 9 9 ILE C C 13 177.20 0.01 . 1 . . . . 9 ILE C . 19819 2 28 . 1 1 9 9 ILE CA C 13 64.04 0.01 . 1 . . . . 9 ILE CA . 19819 2 29 . 1 1 9 9 ILE CB C 13 36.89 0.01 . 1 . . . . 9 ILE CB . 19819 2 30 . 1 1 9 9 ILE N N 15 121.69 0.01 . 1 . . . . 9 ILE N . 19819 2 31 . 1 1 10 10 ARG H H 1 8.329 0.01 . 1 . . . . 10 ARG H . 19819 2 32 . 1 1 10 10 ARG HA H 1 3.863 0.01 . 1 . . . . 10 ARG HA . 19819 2 33 . 1 1 10 10 ARG C C 13 180.00 0.01 . 1 . . . . 10 ARG C . 19819 2 34 . 1 1 10 10 ARG CA C 13 61.19 0.01 . 1 . . . . 10 ARG CA . 19819 2 35 . 1 1 10 10 ARG CB C 13 30.72 0.01 . 1 . . . . 10 ARG CB . 19819 2 36 . 1 1 10 10 ARG N N 15 118.98 0.01 . 1 . . . . 10 ARG N . 19819 2 37 . 1 1 11 11 GLN H H 1 8.682 0.01 . 1 . . . . 11 GLN H . 19819 2 38 . 1 1 11 11 GLN HA H 1 4.145 0.01 . 1 . . . . 11 GLN HA . 19819 2 39 . 1 1 11 11 GLN C C 13 178.83 0.01 . 1 . . . . 11 GLN C . 19819 2 40 . 1 1 11 11 GLN CA C 13 59.10 0.01 . 1 . . . . 11 GLN CA . 19819 2 41 . 1 1 11 11 GLN CB C 13 28.49 0.01 . 1 . . . . 11 GLN CB . 19819 2 42 . 1 1 11 11 GLN N N 15 116.65 0.01 . 1 . . . . 11 GLN N . 19819 2 43 . 1 1 12 12 SER H H 1 7.841 0.01 . 1 . . . . 12 SER H . 19819 2 44 . 1 1 12 12 SER HA H 1 4.516 0.01 . 1 . . . . 12 SER HA . 19819 2 45 . 1 1 12 12 SER C C 13 176.77 0.01 . 1 . . . . 12 SER C . 19819 2 46 . 1 1 12 12 SER CA C 13 60.82 0.01 . 1 . . . . 12 SER CA . 19819 2 47 . 1 1 12 12 SER CB C 13 64.21 0.01 . 1 . . . . 12 SER CB . 19819 2 48 . 1 1 12 12 SER N N 15 113.35 0.01 . 1 . . . . 12 SER N . 19819 2 49 . 1 1 13 13 TRP H H 1 9.017 0.01 . 1 . . . . 13 TRP H . 19819 2 50 . 1 1 13 13 TRP HA H 1 4.830 0.01 . 1 . . . . 13 TRP HA . 19819 2 51 . 1 1 13 13 TRP C C 13 177.75 0.01 . 1 . . . . 13 TRP C . 19819 2 52 . 1 1 13 13 TRP CA C 13 58.69 0.01 . 1 . . . . 13 TRP CA . 19819 2 53 . 1 1 13 13 TRP CB C 13 31.50 0.01 . 1 . . . . 13 TRP CB . 19819 2 54 . 1 1 13 13 TRP N N 15 123.29 0.01 . 1 . . . . 13 TRP N . 19819 2 55 . 1 1 14 14 ARG H H 1 7.857 0.01 . 1 . . . . 14 ARG H . 19819 2 56 . 1 1 14 14 ARG HA H 1 3.883 0.01 . 1 . . . . 14 ARG HA . 19819 2 57 . 1 1 14 14 ARG C C 13 178.27 0.01 . 1 . . . . 14 ARG C . 19819 2 58 . 1 1 14 14 ARG CA C 13 59.64 0.01 . 1 . . . . 14 ARG CA . 19819 2 59 . 1 1 14 14 ARG CB C 13 30.10 0.01 . 1 . . . . 14 ARG CB . 19819 2 60 . 1 1 14 14 ARG N N 15 118.03 0.01 . 1 . . . . 14 ARG N . 19819 2 61 . 1 1 15 15 VAL H H 1 7.048 0.01 . 1 . . . . 15 VAL H . 19819 2 62 . 1 1 15 15 VAL HA H 1 3.573 0.01 . 1 . . . . 15 VAL HA . 19819 2 63 . 1 1 15 15 VAL C C 13 178.51 0.01 . 1 . . . . 15 VAL C . 19819 2 64 . 1 1 15 15 VAL CA C 13 66.18 0.01 . 1 . . . . 15 VAL CA . 19819 2 65 . 1 1 15 15 VAL CB C 13 32.02 0.01 . 1 . . . . 15 VAL CB . 19819 2 66 . 1 1 15 15 VAL N N 15 116.76 0.01 . 1 . . . . 15 VAL N . 19819 2 67 . 1 1 16 16 VAL H H 1 6.800 0.01 . 1 . . . . 16 VAL H . 19819 2 68 . 1 1 16 16 VAL HA H 1 2.712 0.01 . 1 . . . . 16 VAL HA . 19819 2 69 . 1 1 16 16 VAL C C 13 178.01 0.01 . 1 . . . . 16 VAL C . 19819 2 70 . 1 1 16 16 VAL CA C 13 64.65 0.01 . 1 . . . . 16 VAL CA . 19819 2 71 . 1 1 16 16 VAL CB C 13 31.49 0.01 . 1 . . . . 16 VAL CB . 19819 2 72 . 1 1 16 16 VAL N N 15 120.20 0.01 . 1 . . . . 16 VAL N . 19819 2 73 . 1 1 17 17 SER H H 1 8.065 0.01 . 1 . . . . 17 SER H . 19819 2 74 . 1 1 17 17 SER HA H 1 3.388 0.01 . 1 . . . . 17 SER HA . 19819 2 75 . 1 1 17 17 SER C C 13 174.42 0.01 . 1 . . . . 17 SER C . 19819 2 76 . 1 1 17 17 SER CA C 13 60.52 0.01 . 1 . . . . 17 SER CA . 19819 2 77 . 1 1 17 17 SER CB C 13 62.72 0.01 . 1 . . . . 17 SER CB . 19819 2 78 . 1 1 17 17 SER N N 15 111.74 0.01 . 1 . . . . 17 SER N . 19819 2 79 . 1 1 18 18 ARG H H 1 6.946 0.01 . 1 . . . . 18 ARG H . 19819 2 80 . 1 1 18 18 ARG HA H 1 4.186 0.01 . 1 . . . . 18 ARG HA . 19819 2 81 . 1 1 18 18 ARG C C 13 177.74 0.01 . 1 . . . . 18 ARG C . 19819 2 82 . 1 1 18 18 ARG CA C 13 58.30 0.01 . 1 . . . . 18 ARG CA . 19819 2 83 . 1 1 18 18 ARG CB C 13 30.79 0.01 . 1 . . . . 18 ARG CB . 19819 2 84 . 1 1 18 18 ARG N N 15 119.65 0.01 . 1 . . . . 18 ARG N . 19819 2 85 . 1 1 19 19 SER H H 1 7.541 0.01 . 1 . . . . 19 SER H . 19819 2 86 . 1 1 19 19 SER HA H 1 4.849 0.01 . 1 . . . . 19 SER HA . 19819 2 87 . 1 1 19 19 SER CA C 13 55.24 0.01 . 1 . . . . 19 SER CA . 19819 2 88 . 1 1 19 19 SER CB C 13 62.85 0.01 . 1 . . . . 19 SER CB . 19819 2 89 . 1 1 19 19 SER N N 15 110.11 0.01 . 1 . . . . 19 SER N . 19819 2 90 . 1 1 22 22 GLU HA H 1 4.092 0.01 . 1 . . . . 22 GLU HA . 19819 2 91 . 1 1 22 22 GLU C C 13 180.02 0.01 . 1 . . . . 22 GLU C . 19819 2 92 . 1 1 22 22 GLU CA C 13 60.17 0.01 . 1 . . . . 22 GLU CA . 19819 2 93 . 1 1 22 22 GLU CB C 13 29.08 0.01 . 1 . . . . 22 GLU CB . 19819 2 94 . 1 1 23 23 HIS H H 1 7.698 0.01 . 1 . . . . 23 HIS H . 19819 2 95 . 1 1 23 23 HIS HA H 1 4.585 0.01 . 1 . . . . 23 HIS HA . 19819 2 96 . 1 1 23 23 HIS C C 13 178.34 0.01 . 1 . . . . 23 HIS C . 19819 2 97 . 1 1 23 23 HIS CA C 13 60.78 0.01 . 1 . . . . 23 HIS CA . 19819 2 98 . 1 1 23 23 HIS CB C 13 30.06 0.01 . 1 . . . . 23 HIS CB . 19819 2 99 . 1 1 23 23 HIS N N 15 117.88 0.01 . 1 . . . . 23 HIS N . 19819 2 100 . 1 1 24 24 GLY H H 1 9.241 0.01 . 1 . . . . 24 GLY H . 19819 2 101 . 1 1 24 24 GLY HA2 H 1 4.600 0.01 . 2 . . . . 24 GLY HA2 . 19819 2 102 . 1 1 24 24 GLY HA3 H 1 4.293 0.01 . 2 . . . . 24 GLY HA3 . 19819 2 103 . 1 1 24 24 GLY C C 13 176.60 0.01 . 1 . . . . 24 GLY C . 19819 2 104 . 1 1 24 24 GLY CA C 13 48.53 0.01 . 1 . . . . 24 GLY CA . 19819 2 105 . 1 1 24 24 GLY N N 15 110.22 0.01 . 1 . . . . 24 GLY N . 19819 2 106 . 1 1 25 25 THR H H 1 8.702 0.01 . 1 . . . . 25 THR H . 19819 2 107 . 1 1 25 25 THR HA H 1 4.575 0.01 . 1 . . . . 25 THR HA . 19819 2 108 . 1 1 25 25 THR C C 13 176.26 0.01 . 1 . . . . 25 THR C . 19819 2 109 . 1 1 25 25 THR CA C 13 67.90 0.01 . 1 . . . . 25 THR CA . 19819 2 110 . 1 1 25 25 THR CB C 13 69.32 0.01 . 1 . . . . 25 THR CB . 19819 2 111 . 1 1 25 25 THR N N 15 115.77 0.01 . 1 . . . . 25 THR N . 19819 2 112 . 1 1 26 26 VAL H H 1 7.531 0.01 . 1 . . . . 26 VAL H . 19819 2 113 . 1 1 26 26 VAL HA H 1 3.989 0.01 . 1 . . . . 26 VAL HA . 19819 2 114 . 1 1 26 26 VAL C C 13 178.80 0.01 . 1 . . . . 26 VAL C . 19819 2 115 . 1 1 26 26 VAL CA C 13 66.92 0.01 . 1 . . . . 26 VAL CA . 19819 2 116 . 1 1 26 26 VAL CB C 13 31.70 0.01 . 1 . . . . 26 VAL CB . 19819 2 117 . 1 1 26 26 VAL N N 15 123.46 0.01 . 1 . . . . 26 VAL N . 19819 2 118 . 1 1 27 27 LEU H H 1 7.958 0.01 . 1 . . . . 27 LEU H . 19819 2 119 . 1 1 27 27 LEU HA H 1 4.183 0.01 . 1 . . . . 27 LEU HA . 19819 2 120 . 1 1 27 27 LEU C C 13 179.66 0.01 . 1 . . . . 27 LEU C . 19819 2 121 . 1 1 27 27 LEU CA C 13 60.79 0.01 . 1 . . . . 27 LEU CA . 19819 2 122 . 1 1 27 27 LEU CB C 13 43.10 0.01 . 1 . . . . 27 LEU CB . 19819 2 123 . 1 1 27 27 LEU N N 15 121.39 0.01 . 1 . . . . 27 LEU N . 19819 2 124 . 1 1 28 28 PHE H H 1 9.005 0.01 . 1 . . . . 28 PHE H . 19819 2 125 . 1 1 28 28 PHE HA H 1 4.716 0.01 . 1 . . . . 28 PHE HA . 19819 2 126 . 1 1 28 28 PHE C C 13 177.11 0.01 . 1 . . . . 28 PHE C . 19819 2 127 . 1 1 28 28 PHE CA C 13 64.59 0.01 . 1 . . . . 28 PHE CA . 19819 2 128 . 1 1 28 28 PHE CB C 13 40.39 0.01 . 1 . . . . 28 PHE CB . 19819 2 129 . 1 1 28 28 PHE N N 15 117.31 0.01 . 1 . . . . 28 PHE N . 19819 2 130 . 1 1 29 29 ALA H H 1 9.239 0.01 . 1 . . . . 29 ALA H . 19819 2 131 . 1 1 29 29 ALA HA H 1 4.456 0.01 . 1 . . . . 29 ALA HA . 19819 2 132 . 1 1 29 29 ALA C C 13 181.63 0.01 . 1 . . . . 29 ALA C . 19819 2 133 . 1 1 29 29 ALA CA C 13 55.85 0.01 . 1 . . . . 29 ALA CA . 19819 2 134 . 1 1 29 29 ALA CB C 13 18.19 0.01 . 1 . . . . 29 ALA CB . 19819 2 135 . 1 1 29 29 ALA N N 15 121.64 0.01 . 1 . . . . 29 ALA N . 19819 2 136 . 1 1 30 30 ARG H H 1 8.143 0.01 . 1 . . . . 30 ARG H . 19819 2 137 . 1 1 30 30 ARG HA H 1 4.077 0.01 . 1 . . . . 30 ARG HA . 19819 2 138 . 1 1 30 30 ARG C C 13 177.07 0.01 . 1 . . . . 30 ARG C . 19819 2 139 . 1 1 30 30 ARG CA C 13 57.14 0.01 . 1 . . . . 30 ARG CA . 19819 2 140 . 1 1 30 30 ARG CB C 13 29.72 0.01 . 1 . . . . 30 ARG CB . 19819 2 141 . 1 1 30 30 ARG N N 15 119.62 0.01 . 1 . . . . 30 ARG N . 19819 2 142 . 1 1 31 31 LEU H H 1 8.496 0.01 . 1 . . . . 31 LEU H . 19819 2 143 . 1 1 31 31 LEU HA H 1 3.912 0.01 . 1 . . . . 31 LEU HA . 19819 2 144 . 1 1 31 31 LEU C C 13 178.69 0.01 . 1 . . . . 31 LEU C . 19819 2 145 . 1 1 31 31 LEU CA C 13 59.17 0.01 . 1 . . . . 31 LEU CA . 19819 2 146 . 1 1 31 31 LEU CB C 13 42.95 0.01 . 1 . . . . 31 LEU CB . 19819 2 147 . 1 1 31 31 LEU N N 15 122.96 0.01 . 1 . . . . 31 LEU N . 19819 2 148 . 1 1 32 32 PHE H H 1 8.116 0.01 . 1 . . . . 32 PHE H . 19819 2 149 . 1 1 32 32 PHE HA H 1 4.753 0.01 . 1 . . . . 32 PHE HA . 19819 2 150 . 1 1 32 32 PHE C C 13 177.80 0.01 . 1 . . . . 32 PHE C . 19819 2 151 . 1 1 32 32 PHE CA C 13 57.73 0.01 . 1 . . . . 32 PHE CA . 19819 2 152 . 1 1 32 32 PHE CB C 13 38.39 0.01 . 1 . . . . 32 PHE CB . 19819 2 153 . 1 1 32 32 PHE N N 15 112.98 0.01 . 1 . . . . 32 PHE N . 19819 2 154 . 1 1 33 33 ALA H H 1 7.762 0.01 . 1 . . . . 33 ALA H . 19819 2 155 . 1 1 33 33 ALA HA H 1 4.341 0.01 . 1 . . . . 33 ALA HA . 19819 2 156 . 1 1 33 33 ALA C C 13 180.39 0.01 . 1 . . . . 33 ALA C . 19819 2 157 . 1 1 33 33 ALA CA C 13 54.39 0.01 . 1 . . . . 33 ALA CA . 19819 2 158 . 1 1 33 33 ALA CB C 13 18.68 0.01 . 1 . . . . 33 ALA CB . 19819 2 159 . 1 1 33 33 ALA N N 15 121.77 0.01 . 1 . . . . 33 ALA N . 19819 2 160 . 1 1 34 34 LEU H H 1 8.256 0.01 . 1 . . . . 34 LEU H . 19819 2 161 . 1 1 34 34 LEU HA H 1 4.122 0.01 . 1 . . . . 34 LEU HA . 19819 2 162 . 1 1 34 34 LEU C C 13 178.70 0.01 . 1 . . . . 34 LEU C . 19819 2 163 . 1 1 34 34 LEU CA C 13 56.91 0.01 . 1 . . . . 34 LEU CA . 19819 2 164 . 1 1 34 34 LEU CB C 13 43.48 0.01 . 1 . . . . 34 LEU CB . 19819 2 165 . 1 1 34 34 LEU N N 15 118.72 0.01 . 1 . . . . 34 LEU N . 19819 2 166 . 1 1 35 35 GLU H H 1 8.459 0.01 . 1 . . . . 35 GLU H . 19819 2 167 . 1 1 35 35 GLU HA H 1 4.281 0.01 . 1 . . . . 35 GLU HA . 19819 2 168 . 1 1 35 35 GLU C C 13 172.41 0.01 . 1 . . . . 35 GLU C . 19819 2 169 . 1 1 35 35 GLU CA C 13 54.13 0.01 . 1 . . . . 35 GLU CA . 19819 2 170 . 1 1 35 35 GLU CB C 13 31.15 0.01 . 1 . . . . 35 GLU CB . 19819 2 171 . 1 1 35 35 GLU N N 15 119.27 0.01 . 1 . . . . 35 GLU N . 19819 2 172 . 1 1 36 36 PRO HA H 1 4.685 0.01 . 1 . . . . 36 PRO HA . 19819 2 173 . 1 1 36 36 PRO C C 13 179.80 0.01 . 1 . . . . 36 PRO C . 19819 2 174 . 1 1 36 36 PRO CA C 13 65.23 0.01 . 1 . . . . 36 PRO CA . 19819 2 175 . 1 1 36 36 PRO CB C 13 31.80 0.01 . 1 . . . . 36 PRO CB . 19819 2 176 . 1 1 37 37 SER H H 1 8.193 0.01 . 1 . . . . 37 SER H . 19819 2 177 . 1 1 37 37 SER HA H 1 4.141 0.01 . 1 . . . . 37 SER HA . 19819 2 178 . 1 1 37 37 SER C C 13 175.25 0.01 . 1 . . . . 37 SER C . 19819 2 179 . 1 1 37 37 SER CA C 13 60.34 0.01 . 1 . . . . 37 SER CA . 19819 2 180 . 1 1 37 37 SER CB C 13 62.36 0.01 . 1 . . . . 37 SER CB . 19819 2 181 . 1 1 37 37 SER N N 15 112.04 0.01 . 1 . . . . 37 SER N . 19819 2 182 . 1 1 38 38 LEU H H 1 8.055 0.01 . 1 . . . . 38 LEU H . 19819 2 183 . 1 1 38 38 LEU HA H 1 4.156 0.01 . 1 . . . . 38 LEU HA . 19819 2 184 . 1 1 38 38 LEU C C 13 177.87 0.01 . 1 . . . . 38 LEU C . 19819 2 185 . 1 1 38 38 LEU CA C 13 55.91 0.01 . 1 . . . . 38 LEU CA . 19819 2 186 . 1 1 38 38 LEU CB C 13 41.86 0.01 . 1 . . . . 38 LEU CB . 19819 2 187 . 1 1 38 38 LEU N N 15 120.42 0.01 . 1 . . . . 38 LEU N . 19819 2 188 . 1 1 39 39 LEU H H 1 7.384 0.01 . 1 . . . . 39 LEU H . 19819 2 189 . 1 1 39 39 LEU HA H 1 4.164 0.01 . 1 . . . . 39 LEU HA . 19819 2 190 . 1 1 39 39 LEU C C 13 175.99 0.01 . 1 . . . . 39 LEU C . 19819 2 191 . 1 1 39 39 LEU CA C 13 59.98 0.01 . 1 . . . . 39 LEU CA . 19819 2 192 . 1 1 39 39 LEU CB C 13 39.90 0.01 . 1 . . . . 39 LEU CB . 19819 2 193 . 1 1 39 39 LEU N N 15 119.28 0.01 . 1 . . . . 39 LEU N . 19819 2 194 . 1 1 40 40 PRO HA H 1 4.323 0.01 . 1 . . . . 40 PRO HA . 19819 2 195 . 1 1 40 40 PRO C C 13 176.58 0.01 . 1 . . . . 40 PRO C . 19819 2 196 . 1 1 40 40 PRO CA C 13 65.06 0.01 . 1 . . . . 40 PRO CA . 19819 2 197 . 1 1 40 40 PRO CB C 13 31.51 0.01 . 1 . . . . 40 PRO CB . 19819 2 198 . 1 1 41 41 LEU H H 1 7.198 0.01 . 1 . . . . 41 LEU H . 19819 2 199 . 1 1 41 41 LEU HA H 1 3.655 0.01 . 1 . . . . 41 LEU HA . 19819 2 200 . 1 1 41 41 LEU C C 13 177.12 0.01 . 1 . . . . 41 LEU C . 19819 2 201 . 1 1 41 41 LEU CA C 13 56.63 0.01 . 1 . . . . 41 LEU CA . 19819 2 202 . 1 1 41 41 LEU CB C 13 41.49 0.01 . 1 . . . . 41 LEU CB . 19819 2 203 . 1 1 41 41 LEU N N 15 115.16 0.01 . 1 . . . . 41 LEU N . 19819 2 204 . 1 1 42 42 PHE H H 1 7.493 0.01 . 1 . . . . 42 PHE H . 19819 2 205 . 1 1 42 42 PHE HA H 1 4.152 0.01 . 1 . . . . 42 PHE HA . 19819 2 206 . 1 1 42 42 PHE C C 13 174.03 0.01 . 1 . . . . 42 PHE C . 19819 2 207 . 1 1 42 42 PHE CA C 13 57.82 0.01 . 1 . . . . 42 PHE CA . 19819 2 208 . 1 1 42 42 PHE CB C 13 39.04 0.01 . 1 . . . . 42 PHE CB . 19819 2 209 . 1 1 42 42 PHE N N 15 117.11 0.01 . 1 . . . . 42 PHE N . 19819 2 210 . 1 1 43 43 GLN H H 1 7.629 0.01 . 1 . . . . 43 GLN H . 19819 2 211 . 1 1 43 43 GLN HA H 1 4.407 0.01 . 1 . . . . 43 GLN HA . 19819 2 212 . 1 1 43 43 GLN C C 13 174.48 0.01 . 1 . . . . 43 GLN C . 19819 2 213 . 1 1 43 43 GLN CA C 13 54.52 0.01 . 1 . . . . 43 GLN CA . 19819 2 214 . 1 1 43 43 GLN CB C 13 30.56 0.01 . 1 . . . . 43 GLN CB . 19819 2 215 . 1 1 43 43 GLN N N 15 120.73 0.01 . 1 . . . . 43 GLN N . 19819 2 216 . 1 1 44 44 TYR H H 1 7.795 0.01 . 1 . . . . 44 TYR H . 19819 2 217 . 1 1 44 44 TYR HA H 1 4.541 0.01 . 1 . . . . 44 TYR HA . 19819 2 218 . 1 1 44 44 TYR C C 13 174.47 0.01 . 1 . . . . 44 TYR C . 19819 2 219 . 1 1 44 44 TYR CA C 13 57.35 0.01 . 1 . . . . 44 TYR CA . 19819 2 220 . 1 1 44 44 TYR CB C 13 40.24 0.01 . 1 . . . . 44 TYR CB . 19819 2 221 . 1 1 44 44 TYR N N 15 120.48 0.01 . 1 . . . . 44 TYR N . 19819 2 222 . 1 1 45 45 ASN HA H 1 4.342 0.01 . 1 . . . . 45 ASN HA . 19819 2 223 . 1 1 45 45 ASN C C 13 175.40 0.01 . 1 . . . . 45 ASN C . 19819 2 224 . 1 1 45 45 ASN CA C 13 54.14 0.01 . 1 . . . . 45 ASN CA . 19819 2 225 . 1 1 45 45 ASN CB C 13 37.83 0.01 . 1 . . . . 45 ASN CB . 19819 2 226 . 1 1 46 46 GLY H H 1 8.532 0.01 . 1 . . . . 46 GLY H . 19819 2 227 . 1 1 46 46 GLY HA2 H 1 3.992 0.01 . 2 . . . . 46 GLY HA2 . 19819 2 228 . 1 1 46 46 GLY HA3 H 1 3.592 0.01 . 2 . . . . 46 GLY HA3 . 19819 2 229 . 1 1 46 46 GLY C C 13 173.92 0.01 . 1 . . . . 46 GLY C . 19819 2 230 . 1 1 46 46 GLY CA C 13 45.74 0.01 . 1 . . . . 46 GLY CA . 19819 2 231 . 1 1 46 46 GLY N N 15 104.56 0.01 . 1 . . . . 46 GLY N . 19819 2 232 . 1 1 47 47 ARG H H 1 7.610 0.01 . 1 . . . . 47 ARG H . 19819 2 233 . 1 1 47 47 ARG HA H 1 4.646 0.01 . 1 . . . . 47 ARG HA . 19819 2 234 . 1 1 47 47 ARG C C 13 175.16 0.01 . 1 . . . . 47 ARG C . 19819 2 235 . 1 1 47 47 ARG CA C 13 55.25 0.01 . 1 . . . . 47 ARG CA . 19819 2 236 . 1 1 47 47 ARG CB C 13 32.44 0.01 . 1 . . . . 47 ARG CB . 19819 2 237 . 1 1 47 47 ARG N N 15 119.88 0.01 . 1 . . . . 47 ARG N . 19819 2 238 . 1 1 48 48 GLN H H 1 8.338 0.01 . 1 . . . . 48 GLN H . 19819 2 239 . 1 1 48 48 GLN HA H 1 4.303 0.01 . 1 . . . . 48 GLN HA . 19819 2 240 . 1 1 48 48 GLN C C 13 176.44 0.01 . 1 . . . . 48 GLN C . 19819 2 241 . 1 1 48 48 GLN CA C 13 54.41 0.01 . 1 . . . . 48 GLN CA . 19819 2 242 . 1 1 48 48 GLN CB C 13 30.76 0.01 . 1 . . . . 48 GLN CB . 19819 2 243 . 1 1 48 48 GLN N N 15 121.72 0.01 . 1 . . . . 48 GLN N . 19819 2 244 . 1 1 49 49 PHE H H 1 9.351 0.01 . 1 . . . . 49 PHE H . 19819 2 245 . 1 1 49 49 PHE HA H 1 4.818 0.01 . 1 . . . . 49 PHE HA . 19819 2 246 . 1 1 49 49 PHE C C 13 176.62 0.01 . 1 . . . . 49 PHE C . 19819 2 247 . 1 1 49 49 PHE CA C 13 57.53 0.01 . 1 . . . . 49 PHE CA . 19819 2 248 . 1 1 49 49 PHE CB C 13 39.82 0.01 . 1 . . . . 49 PHE CB . 19819 2 249 . 1 1 49 49 PHE N N 15 122.85 0.01 . 1 . . . . 49 PHE N . 19819 2 250 . 1 1 50 50 SER H H 1 9.615 0.01 . 1 . . . . 50 SER H . 19819 2 251 . 1 1 50 50 SER HA H 1 4.407 0.01 . 1 . . . . 50 SER HA . 19819 2 252 . 1 1 50 50 SER C C 13 174.22 0.01 . 1 . . . . 50 SER C . 19819 2 253 . 1 1 50 50 SER CA C 13 59.87 0.01 . 1 . . . . 50 SER CA . 19819 2 254 . 1 1 50 50 SER CB C 13 64.09 0.01 . 1 . . . . 50 SER CB . 19819 2 255 . 1 1 50 50 SER N N 15 117.06 0.01 . 1 . . . . 50 SER N . 19819 2 256 . 1 1 51 51 SER H H 1 7.776 0.01 . 1 . . . . 51 SER H . 19819 2 257 . 1 1 51 51 SER HA H 1 4.869 0.01 . 1 . . . . 51 SER HA . 19819 2 258 . 1 1 51 51 SER C C 13 173.21 0.01 . 1 . . . . 51 SER C . 19819 2 259 . 1 1 51 51 SER CA C 13 56.33 0.01 . 1 . . . . 51 SER CA . 19819 2 260 . 1 1 51 51 SER CB C 13 64.22 0.01 . 1 . . . . 51 SER CB . 19819 2 261 . 1 1 51 51 SER N N 15 114.08 0.01 . 1 . . . . 51 SER N . 19819 2 262 . 1 1 52 52 PRO HA H 1 4.057 0.01 . 1 . . . . 52 PRO HA . 19819 2 263 . 1 1 52 52 PRO C C 13 178.77 0.01 . 1 . . . . 52 PRO C . 19819 2 264 . 1 1 52 52 PRO CA C 13 65.28 0.01 . 1 . . . . 52 PRO CA . 19819 2 265 . 1 1 52 52 PRO CB C 13 32.24 0.01 . 1 . . . . 52 PRO CB . 19819 2 266 . 1 1 53 53 GLU H H 1 9.066 0.01 . 1 . . . . 53 GLU H . 19819 2 267 . 1 1 53 53 GLU HA H 1 3.971 0.01 . 1 . . . . 53 GLU HA . 19819 2 268 . 1 1 53 53 GLU C C 13 178.87 0.01 . 1 . . . . 53 GLU C . 19819 2 269 . 1 1 53 53 GLU CA C 13 60.78 0.01 . 1 . . . . 53 GLU CA . 19819 2 270 . 1 1 53 53 GLU CB C 13 28.54 0.01 . 1 . . . . 53 GLU CB . 19819 2 271 . 1 1 53 53 GLU N N 15 118.33 0.01 . 1 . . . . 53 GLU N . 19819 2 272 . 1 1 54 54 ASP H H 1 7.753 0.01 . 1 . . . . 54 ASP H . 19819 2 273 . 1 1 54 54 ASP HA H 1 4.424 0.01 . 1 . . . . 54 ASP HA . 19819 2 274 . 1 1 54 54 ASP C C 13 178.69 0.01 . 1 . . . . 54 ASP C . 19819 2 275 . 1 1 54 54 ASP CA C 13 56.93 0.01 . 1 . . . . 54 ASP CA . 19819 2 276 . 1 1 54 54 ASP CB C 13 41.78 0.01 . 1 . . . . 54 ASP CB . 19819 2 277 . 1 1 54 54 ASP N N 15 119.76 0.01 . 1 . . . . 54 ASP N . 19819 2 278 . 1 1 55 55 SER H H 1 7.314 0.01 . 1 . . . . 55 SER H . 19819 2 279 . 1 1 55 55 SER HA H 1 2.680 0.01 . 1 . . . . 55 SER HA . 19819 2 280 . 1 1 55 55 SER C C 13 175.94 0.01 . 1 . . . . 55 SER C . 19819 2 281 . 1 1 55 55 SER CA C 13 62.11 0.01 . 1 . . . . 55 SER CA . 19819 2 282 . 1 1 55 55 SER CB C 13 62.50 0.01 . 1 . . . . 55 SER CB . 19819 2 283 . 1 1 55 55 SER N N 15 115.59 0.01 . 1 . . . . 55 SER N . 19819 2 284 . 1 1 56 56 LEU H H 1 7.442 0.01 . 1 . . . . 56 LEU H . 19819 2 285 . 1 1 56 56 LEU HA H 1 4.348 0.01 . 1 . . . . 56 LEU HA . 19819 2 286 . 1 1 56 56 LEU C C 13 176.58 0.01 . 1 . . . . 56 LEU C . 19819 2 287 . 1 1 56 56 LEU CA C 13 56.78 0.01 . 1 . . . . 56 LEU CA . 19819 2 288 . 1 1 56 56 LEU CB C 13 41.15 0.01 . 1 . . . . 56 LEU CB . 19819 2 289 . 1 1 56 56 LEU N N 15 118.60 0.01 . 1 . . . . 56 LEU N . 19819 2 290 . 1 1 57 57 SER H H 1 7.348 0.01 . 1 . . . . 57 SER H . 19819 2 291 . 1 1 57 57 SER HA H 1 4.720 0.01 . 1 . . . . 57 SER HA . 19819 2 292 . 1 1 57 57 SER C C 13 174.58 0.01 . 1 . . . . 57 SER C . 19819 2 293 . 1 1 57 57 SER CA C 13 57.59 0.01 . 1 . . . . 57 SER CA . 19819 2 294 . 1 1 57 57 SER CB C 13 64.57 0.01 . 1 . . . . 57 SER CB . 19819 2 295 . 1 1 57 57 SER N N 15 110.07 0.01 . 1 . . . . 57 SER N . 19819 2 296 . 1 1 58 58 SER H H 1 7.589 0.01 . 1 . . . . 58 SER H . 19819 2 297 . 1 1 58 58 SER HA H 1 5.037 0.01 . 1 . . . . 58 SER HA . 19819 2 298 . 1 1 58 58 SER C C 13 173.92 0.01 . 1 . . . . 58 SER C . 19819 2 299 . 1 1 58 58 SER CA C 13 55.32 0.01 . 1 . . . . 58 SER CA . 19819 2 300 . 1 1 58 58 SER CB C 13 64.41 0.01 . 1 . . . . 58 SER CB . 19819 2 301 . 1 1 58 58 SER N N 15 119.80 0.01 . 1 . . . . 58 SER N . 19819 2 302 . 1 1 59 59 PRO HA H 1 4.268 0.01 . 1 . . . . 59 PRO HA . 19819 2 303 . 1 1 59 59 PRO C C 13 179.61 0.01 . 1 . . . . 59 PRO C . 19819 2 304 . 1 1 59 59 PRO CA C 13 65.34 0.01 . 1 . . . . 59 PRO CA . 19819 2 305 . 1 1 59 59 PRO CB C 13 32.04 0.01 . 1 . . . . 59 PRO CB . 19819 2 306 . 1 1 60 60 GLU H H 1 8.861 0.01 . 1 . . . . 60 GLU H . 19819 2 307 . 1 1 60 60 GLU HA H 1 3.913 0.01 . 1 . . . . 60 GLU HA . 19819 2 308 . 1 1 60 60 GLU C C 13 179.38 0.01 . 1 . . . . 60 GLU C . 19819 2 309 . 1 1 60 60 GLU CA C 13 60.40 0.01 . 1 . . . . 60 GLU CA . 19819 2 310 . 1 1 60 60 GLU CB C 13 28.46 0.01 . 1 . . . . 60 GLU CB . 19819 2 311 . 1 1 60 60 GLU N N 15 117.89 0.01 . 1 . . . . 60 GLU N . 19819 2 312 . 1 1 61 61 PHE H H 1 8.072 0.01 . 1 . . . . 61 PHE H . 19819 2 313 . 1 1 61 61 PHE HA H 1 4.570 0.01 . 1 . . . . 61 PHE HA . 19819 2 314 . 1 1 61 61 PHE C C 13 178.33 0.01 . 1 . . . . 61 PHE C . 19819 2 315 . 1 1 61 61 PHE CA C 13 61.17 0.01 . 1 . . . . 61 PHE CA . 19819 2 316 . 1 1 61 61 PHE CB C 13 39.67 0.01 . 1 . . . . 61 PHE CB . 19819 2 317 . 1 1 61 61 PHE N N 15 123.03 0.01 . 1 . . . . 61 PHE N . 19819 2 318 . 1 1 62 62 LEU H H 1 8.674 0.01 . 1 . . . . 62 LEU H . 19819 2 319 . 1 1 62 62 LEU HA H 1 4.146 0.01 . 1 . . . . 62 LEU HA . 19819 2 320 . 1 1 62 62 LEU C C 13 179.68 0.01 . 1 . . . . 62 LEU C . 19819 2 321 . 1 1 62 62 LEU CA C 13 58.75 0.01 . 1 . . . . 62 LEU CA . 19819 2 322 . 1 1 62 62 LEU CB C 13 40.68 0.01 . 1 . . . . 62 LEU CB . 19819 2 323 . 1 1 62 62 LEU N N 15 120.09 0.01 . 1 . . . . 62 LEU N . 19819 2 324 . 1 1 63 63 ASP H H 1 7.668 0.01 . 1 . . . . 63 ASP H . 19819 2 325 . 1 1 63 63 ASP HA H 1 4.333 0.01 . 1 . . . . 63 ASP HA . 19819 2 326 . 1 1 63 63 ASP C C 13 178.06 0.01 . 1 . . . . 63 ASP C . 19819 2 327 . 1 1 63 63 ASP CA C 13 57.40 0.01 . 1 . . . . 63 ASP CA . 19819 2 328 . 1 1 63 63 ASP CB C 13 40.89 0.01 . 1 . . . . 63 ASP CB . 19819 2 329 . 1 1 63 63 ASP N N 15 118.35 0.01 . 1 . . . . 63 ASP N . 19819 2 330 . 1 1 64 64 HIS H H 1 7.371 0.01 . 1 . . . . 64 HIS H . 19819 2 331 . 1 1 64 64 HIS HA H 1 3.423 0.01 . 1 . . . . 64 HIS HA . 19819 2 332 . 1 1 64 64 HIS C C 13 176.60 0.01 . 1 . . . . 64 HIS C . 19819 2 333 . 1 1 64 64 HIS CA C 13 60.91 0.01 . 1 . . . . 64 HIS CA . 19819 2 334 . 1 1 64 64 HIS CB C 13 29.38 0.01 . 1 . . . . 64 HIS CB . 19819 2 335 . 1 1 64 64 HIS N N 15 120.12 0.01 . 1 . . . . 64 HIS N . 19819 2 336 . 1 1 65 65 ILE H H 1 8.521 0.01 . 1 . . . . 65 ILE H . 19819 2 337 . 1 1 65 65 ILE HA H 1 3.921 0.01 . 1 . . . . 65 ILE HA . 19819 2 338 . 1 1 65 65 ILE C C 13 178.33 0.01 . 1 . . . . 65 ILE C . 19819 2 339 . 1 1 65 65 ILE CA C 13 67.06 0.01 . 1 . . . . 65 ILE CA . 19819 2 340 . 1 1 65 65 ILE CB C 13 37.68 0.01 . 1 . . . . 65 ILE CB . 19819 2 341 . 1 1 65 65 ILE N N 15 118.99 0.01 . 1 . . . . 65 ILE N . 19819 2 342 . 1 1 66 66 ARG H H 1 7.831 0.01 . 1 . . . . 66 ARG H . 19819 2 343 . 1 1 66 66 ARG HA H 1 3.675 0.01 . 1 . . . . 66 ARG HA . 19819 2 344 . 1 1 66 66 ARG C C 13 178.82 0.01 . 1 . . . . 66 ARG C . 19819 2 345 . 1 1 66 66 ARG CA C 13 60.22 0.01 . 1 . . . . 66 ARG CA . 19819 2 346 . 1 1 66 66 ARG CB C 13 30.01 0.01 . 1 . . . . 66 ARG CB . 19819 2 347 . 1 1 66 66 ARG N N 15 118.00 0.01 . 1 . . . . 66 ARG N . 19819 2 348 . 1 1 67 67 LYS H H 1 7.210 0.01 . 1 . . . . 67 LYS H . 19819 2 349 . 1 1 67 67 LYS HA H 1 3.261 0.01 . 1 . . . . 67 LYS HA . 19819 2 350 . 1 1 67 67 LYS C C 13 178.80 0.01 . 1 . . . . 67 LYS C . 19819 2 351 . 1 1 67 67 LYS CA C 13 59.59 0.01 . 1 . . . . 67 LYS CA . 19819 2 352 . 1 1 67 67 LYS CB C 13 31.41 0.01 . 1 . . . . 67 LYS CB . 19819 2 353 . 1 1 67 67 LYS N N 15 117.81 0.01 . 1 . . . . 67 LYS N . 19819 2 354 . 1 1 68 68 VAL H H 1 7.448 0.01 . 1 . . . . 68 VAL H . 19819 2 355 . 1 1 68 68 VAL HA H 1 1.364 0.01 . 1 . . . . 68 VAL HA . 19819 2 356 . 1 1 68 68 VAL C C 13 178.48 0.01 . 1 . . . . 68 VAL C . 19819 2 357 . 1 1 68 68 VAL CA C 13 67.52 0.01 . 1 . . . . 68 VAL CA . 19819 2 358 . 1 1 68 68 VAL CB C 13 31.79 0.01 . 1 . . . . 68 VAL CB . 19819 2 359 . 1 1 68 68 VAL N N 15 120.96 0.01 . 1 . . . . 68 VAL N . 19819 2 360 . 1 1 69 69 MET H H 1 8.351 0.01 . 1 . . . . 69 MET H . 19819 2 361 . 1 1 69 69 MET HA H 1 4.578 0.01 . 1 . . . . 69 MET HA . 19819 2 362 . 1 1 69 69 MET C C 13 179.97 0.01 . 1 . . . . 69 MET C . 19819 2 363 . 1 1 69 69 MET CA C 13 57.08 0.01 . 1 . . . . 69 MET CA . 19819 2 364 . 1 1 69 69 MET CB C 13 30.24 0.01 . 1 . . . . 69 MET CB . 19819 2 365 . 1 1 69 69 MET N N 15 115.90 0.01 . 1 . . . . 69 MET N . 19819 2 366 . 1 1 70 70 LEU H H 1 7.594 0.01 . 1 . . . . 70 LEU H . 19819 2 367 . 1 1 70 70 LEU HA H 1 4.130 0.01 . 1 . . . . 70 LEU HA . 19819 2 368 . 1 1 70 70 LEU C C 13 180.14 0.01 . 1 . . . . 70 LEU C . 19819 2 369 . 1 1 70 70 LEU CA C 13 57.65 0.01 . 1 . . . . 70 LEU CA . 19819 2 370 . 1 1 70 70 LEU CB C 13 41.81 0.01 . 1 . . . . 70 LEU CB . 19819 2 371 . 1 1 70 70 LEU N N 15 120.91 0.01 . 1 . . . . 70 LEU N . 19819 2 372 . 1 1 71 71 VAL H H 1 7.121 0.01 . 1 . . . . 71 VAL H . 19819 2 373 . 1 1 71 71 VAL HA H 1 3.365 0.01 . 1 . . . . 71 VAL HA . 19819 2 374 . 1 1 71 71 VAL C C 13 177.46 0.01 . 1 . . . . 71 VAL C . 19819 2 375 . 1 1 71 71 VAL CA C 13 66.48 0.01 . 1 . . . . 71 VAL CA . 19819 2 376 . 1 1 71 71 VAL CB C 13 30.28 0.01 . 1 . . . . 71 VAL CB . 19819 2 377 . 1 1 71 71 VAL N N 15 122.54 0.01 . 1 . . . . 71 VAL N . 19819 2 378 . 1 1 72 72 ILE H H 1 7.402 0.01 . 1 . . . . 72 ILE H . 19819 2 379 . 1 1 72 72 ILE HA H 1 4.350 0.01 . 1 . . . . 72 ILE HA . 19819 2 380 . 1 1 72 72 ILE C C 13 177.35 0.01 . 1 . . . . 72 ILE C . 19819 2 381 . 1 1 72 72 ILE CA C 13 65.37 0.01 . 1 . . . . 72 ILE CA . 19819 2 382 . 1 1 72 72 ILE CB C 13 35.84 0.01 . 1 . . . . 72 ILE CB . 19819 2 383 . 1 1 72 72 ILE N N 15 118.74 0.01 . 1 . . . . 72 ILE N . 19819 2 384 . 1 1 73 73 ASP H H 1 8.287 0.01 . 1 . . . . 73 ASP H . 19819 2 385 . 1 1 73 73 ASP HA H 1 3.995 0.01 . 1 . . . . 73 ASP HA . 19819 2 386 . 1 1 73 73 ASP C C 13 178.14 0.01 . 1 . . . . 73 ASP C . 19819 2 387 . 1 1 73 73 ASP CA C 13 58.12 0.01 . 1 . . . . 73 ASP CA . 19819 2 388 . 1 1 73 73 ASP CB C 13 43.59 0.01 . 1 . . . . 73 ASP CB . 19819 2 389 . 1 1 73 73 ASP N N 15 118.57 0.01 . 1 . . . . 73 ASP N . 19819 2 390 . 1 1 74 74 ALA H H 1 7.764 0.01 . 1 . . . . 74 ALA H . 19819 2 391 . 1 1 74 74 ALA HA H 1 3.973 0.01 . 1 . . . . 74 ALA HA . 19819 2 392 . 1 1 74 74 ALA C C 13 180.25 0.01 . 1 . . . . 74 ALA C . 19819 2 393 . 1 1 74 74 ALA CA C 13 55.19 0.01 . 1 . . . . 74 ALA CA . 19819 2 394 . 1 1 74 74 ALA CB C 13 17.33 0.01 . 1 . . . . 74 ALA CB . 19819 2 395 . 1 1 74 74 ALA N N 15 122.59 0.01 . 1 . . . . 74 ALA N . 19819 2 396 . 1 1 75 75 ALA H H 1 7.995 0.01 . 1 . . . . 75 ALA H . 19819 2 397 . 1 1 75 75 ALA HA H 1 3.619 0.01 . 1 . . . . 75 ALA HA . 19819 2 398 . 1 1 75 75 ALA C C 13 177.48 0.01 . 1 . . . . 75 ALA C . 19819 2 399 . 1 1 75 75 ALA CA C 13 55.24 0.01 . 1 . . . . 75 ALA CA . 19819 2 400 . 1 1 75 75 ALA CB C 13 16.44 0.01 . 1 . . . . 75 ALA CB . 19819 2 401 . 1 1 75 75 ALA N N 15 123.70 0.01 . 1 . . . . 75 ALA N . 19819 2 402 . 1 1 76 76 VAL H H 1 7.903 0.01 . 1 . . . . 76 VAL H . 19819 2 403 . 1 1 76 76 VAL HA H 1 2.912 0.01 . 1 . . . . 76 VAL HA . 19819 2 404 . 1 1 76 76 VAL C C 13 179.99 0.01 . 1 . . . . 76 VAL C . 19819 2 405 . 1 1 76 76 VAL CA C 13 66.82 0.01 . 1 . . . . 76 VAL CA . 19819 2 406 . 1 1 76 76 VAL CB C 13 31.07 0.01 . 1 . . . . 76 VAL CB . 19819 2 407 . 1 1 76 76 VAL N N 15 116.35 0.01 . 1 . . . . 76 VAL N . 19819 2 408 . 1 1 77 77 THR H H 1 8.480 0.01 . 1 . . . . 77 THR H . 19819 2 409 . 1 1 77 77 THR HA H 1 3.785 0.01 . 1 . . . . 77 THR HA . 19819 2 410 . 1 1 77 77 THR C C 13 175.25 0.01 . 1 . . . . 77 THR C . 19819 2 411 . 1 1 77 77 THR CA C 13 66.55 0.01 . 1 . . . . 77 THR CA . 19819 2 412 . 1 1 77 77 THR CB C 13 68.94 0.01 . 1 . . . . 77 THR CB . 19819 2 413 . 1 1 77 77 THR N N 15 116.75 0.01 . 1 . . . . 77 THR N . 19819 2 414 . 1 1 78 78 ASN H H 1 7.370 0.01 . 1 . . . . 78 ASN H . 19819 2 415 . 1 1 78 78 ASN HA H 1 4.800 0.01 . 1 . . . . 78 ASN HA . 19819 2 416 . 1 1 78 78 ASN C C 13 175.08 0.01 . 1 . . . . 78 ASN C . 19819 2 417 . 1 1 78 78 ASN CA C 13 53.76 0.01 . 1 . . . . 78 ASN CA . 19819 2 418 . 1 1 78 78 ASN CB C 13 39.26 0.01 . 1 . . . . 78 ASN CB . 19819 2 419 . 1 1 78 78 ASN N N 15 117.74 0.01 . 1 . . . . 78 ASN N . 19819 2 420 . 1 1 79 79 VAL H H 1 6.907 0.01 . 1 . . . . 79 VAL H . 19819 2 421 . 1 1 79 79 VAL HA H 1 3.599 0.01 . 1 . . . . 79 VAL HA . 19819 2 422 . 1 1 79 79 VAL C C 13 174.91 0.01 . 1 . . . . 79 VAL C . 19819 2 423 . 1 1 79 79 VAL CA C 13 65.46 0.01 . 1 . . . . 79 VAL CA . 19819 2 424 . 1 1 79 79 VAL CB C 13 31.06 0.01 . 1 . . . . 79 VAL CB . 19819 2 425 . 1 1 79 79 VAL N N 15 120.46 0.01 . 1 . . . . 79 VAL N . 19819 2 426 . 1 1 80 80 GLU H H 1 8.116 0.01 . 1 . . . . 80 GLU H . 19819 2 427 . 1 1 80 80 GLU HA H 1 4.124 0.01 . 1 . . . . 80 GLU HA . 19819 2 428 . 1 1 80 80 GLU C C 13 177.15 0.01 . 1 . . . . 80 GLU C . 19819 2 429 . 1 1 80 80 GLU CA C 13 58.14 0.01 . 1 . . . . 80 GLU CA . 19819 2 430 . 1 1 80 80 GLU CB C 13 29.56 0.01 . 1 . . . . 80 GLU CB . 19819 2 431 . 1 1 80 80 GLU N N 15 117.41 0.01 . 1 . . . . 80 GLU N . 19819 2 432 . 1 1 81 81 ASP H H 1 7.933 0.01 . 1 . . . . 81 ASP H . 19819 2 433 . 1 1 81 81 ASP HA H 1 4.663 0.01 . 1 . . . . 81 ASP HA . 19819 2 434 . 1 1 81 81 ASP C C 13 176.08 0.01 . 1 . . . . 81 ASP C . 19819 2 435 . 1 1 81 81 ASP CA C 13 54.16 0.01 . 1 . . . . 81 ASP CA . 19819 2 436 . 1 1 81 81 ASP CB C 13 40.22 0.01 . 1 . . . . 81 ASP CB . 19819 2 437 . 1 1 81 81 ASP N N 15 116.80 0.01 . 1 . . . . 81 ASP N . 19819 2 438 . 1 1 82 82 LEU H H 1 8.930 0.01 . 1 . . . . 82 LEU H . 19819 2 439 . 1 1 82 82 LEU HA H 1 4.045 0.01 . 1 . . . . 82 LEU HA . 19819 2 440 . 1 1 82 82 LEU C C 13 179.55 0.01 . 1 . . . . 82 LEU C . 19819 2 441 . 1 1 82 82 LEU CA C 13 56.64 0.01 . 1 . . . . 82 LEU CA . 19819 2 442 . 1 1 82 82 LEU CB C 13 42.08 0.01 . 1 . . . . 82 LEU CB . 19819 2 443 . 1 1 82 82 LEU N N 15 127.53 0.01 . 1 . . . . 82 LEU N . 19819 2 444 . 1 1 83 83 SER H H 1 8.481 0.01 . 1 . . . . 83 SER H . 19819 2 445 . 1 1 83 83 SER HA H 1 4.197 0.01 . 1 . . . . 83 SER HA . 19819 2 446 . 1 1 83 83 SER C C 13 177.44 0.01 . 1 . . . . 83 SER C . 19819 2 447 . 1 1 83 83 SER CA C 13 62.35 0.01 . 1 . . . . 83 SER CA . 19819 2 448 . 1 1 83 83 SER CB C 13 62.35 0.01 . 1 . . . . 83 SER CB . 19819 2 449 . 1 1 83 83 SER N N 15 117.39 0.01 . 1 . . . . 83 SER N . 19819 2 450 . 1 1 84 84 SER H H 1 7.933 0.01 . 1 . . . . 84 SER H . 19819 2 451 . 1 1 84 84 SER HA H 1 4.309 0.01 . 1 . . . . 84 SER HA . 19819 2 452 . 1 1 84 84 SER C C 13 175.42 0.01 . 1 . . . . 84 SER C . 19819 2 453 . 1 1 84 84 SER CA C 13 60.84 0.01 . 1 . . . . 84 SER CA . 19819 2 454 . 1 1 84 84 SER CB C 13 63.09 0.01 . 1 . . . . 84 SER CB . 19819 2 455 . 1 1 84 84 SER N N 15 117.60 0.01 . 1 . . . . 84 SER N . 19819 2 456 . 1 1 85 85 LEU H H 1 7.848 0.01 . 1 . . . . 85 LEU H . 19819 2 457 . 1 1 85 85 LEU HA H 1 4.627 0.01 . 1 . . . . 85 LEU HA . 19819 2 458 . 1 1 85 85 LEU C C 13 177.00 0.01 . 1 . . . . 85 LEU C . 19819 2 459 . 1 1 85 85 LEU CA C 13 54.10 0.01 . 1 . . . . 85 LEU CA . 19819 2 460 . 1 1 85 85 LEU CB C 13 43.84 0.01 . 1 . . . . 85 LEU CB . 19819 2 461 . 1 1 85 85 LEU N N 15 120.51 0.01 . 1 . . . . 85 LEU N . 19819 2 462 . 1 1 86 86 GLU H H 1 7.546 0.01 . 1 . . . . 86 GLU H . 19819 2 463 . 1 1 86 86 GLU HA H 1 3.877 0.01 . 1 . . . . 86 GLU HA . 19819 2 464 . 1 1 86 86 GLU C C 13 178.48 0.01 . 1 . . . . 86 GLU C . 19819 2 465 . 1 1 86 86 GLU CA C 13 61.75 0.01 . 1 . . . . 86 GLU CA . 19819 2 466 . 1 1 86 86 GLU CB C 13 30.29 0.01 . 1 . . . . 86 GLU CB . 19819 2 467 . 1 1 86 86 GLU N N 15 121.29 0.01 . 1 . . . . 86 GLU N . 19819 2 468 . 1 1 87 87 GLU H H 1 8.961 0.01 . 1 . . . . 87 GLU H . 19819 2 469 . 1 1 87 87 GLU HA H 1 4.195 0.01 . 1 . . . . 87 GLU HA . 19819 2 470 . 1 1 87 87 GLU C C 13 179.42 0.01 . 1 . . . . 87 GLU C . 19819 2 471 . 1 1 87 87 GLU CA C 13 60.39 0.01 . 1 . . . . 87 GLU CA . 19819 2 472 . 1 1 87 87 GLU CB C 13 29.05 0.01 . 1 . . . . 87 GLU CB . 19819 2 473 . 1 1 87 87 GLU N N 15 120.92 0.01 . 1 . . . . 87 GLU N . 19819 2 474 . 1 1 88 88 TYR H H 1 8.566 0.01 . 1 . . . . 88 TYR H . 19819 2 475 . 1 1 88 88 TYR HA H 1 4.384 0.01 . 1 . . . . 88 TYR HA . 19819 2 476 . 1 1 88 88 TYR C C 13 178.70 0.01 . 1 . . . . 88 TYR C . 19819 2 477 . 1 1 88 88 TYR CA C 13 61.50 0.01 . 1 . . . . 88 TYR CA . 19819 2 478 . 1 1 88 88 TYR CB C 13 38.31 0.01 . 1 . . . . 88 TYR CB . 19819 2 479 . 1 1 88 88 TYR N N 15 122.20 0.01 . 1 . . . . 88 TYR N . 19819 2 480 . 1 1 89 89 LEU H H 1 9.111 0.01 . 1 . . . . 89 LEU H . 19819 2 481 . 1 1 89 89 LEU HA H 1 4.137 0.01 . 1 . . . . 89 LEU HA . 19819 2 482 . 1 1 89 89 LEU C C 13 180.21 0.01 . 1 . . . . 89 LEU C . 19819 2 483 . 1 1 89 89 LEU CA C 13 58.28 0.01 . 1 . . . . 89 LEU CA . 19819 2 484 . 1 1 89 89 LEU CB C 13 41.88 0.01 . 1 . . . . 89 LEU CB . 19819 2 485 . 1 1 89 89 LEU N N 15 119.10 0.01 . 1 . . . . 89 LEU N . 19819 2 486 . 1 1 90 90 THR H H 1 9.084 0.01 . 1 . . . . 90 THR H . 19819 2 487 . 1 1 90 90 THR HA H 1 4.539 0.01 . 1 . . . . 90 THR HA . 19819 2 488 . 1 1 90 90 THR C C 13 177.46 0.01 . 1 . . . . 90 THR C . 19819 2 489 . 1 1 90 90 THR CA C 13 68.40 0.01 . 1 . . . . 90 THR CA . 19819 2 490 . 1 1 90 90 THR CB C 13 68.70 0.01 . 1 . . . . 90 THR CB . 19819 2 491 . 1 1 90 90 THR N N 15 119.29 0.01 . 1 . . . . 90 THR N . 19819 2 492 . 1 1 91 91 SER H H 1 8.372 0.01 . 1 . . . . 91 SER H . 19819 2 493 . 1 1 91 91 SER HA H 1 4.606 0.01 . 1 . . . . 91 SER HA . 19819 2 494 . 1 1 91 91 SER C C 13 178.22 0.01 . 1 . . . . 91 SER C . 19819 2 495 . 1 1 91 91 SER CA C 13 62.84 0.01 . 1 . . . . 91 SER CA . 19819 2 496 . 1 1 91 91 SER CB C 13 62.84 0.01 . 1 . . . . 91 SER CB . 19819 2 497 . 1 1 91 91 SER N N 15 119.23 0.01 . 1 . . . . 91 SER N . 19819 2 498 . 1 1 92 92 LEU H H 1 9.144 0.01 . 1 . . . . 92 LEU H . 19819 2 499 . 1 1 92 92 LEU HA H 1 5.661 0.01 . 1 . . . . 92 LEU HA . 19819 2 500 . 1 1 92 92 LEU C C 13 184.82 0.01 . 1 . . . . 92 LEU C . 19819 2 501 . 1 1 92 92 LEU CA C 13 58.92 0.01 . 1 . . . . 92 LEU CA . 19819 2 502 . 1 1 92 92 LEU CB C 13 43.47 0.01 . 1 . . . . 92 LEU CB . 19819 2 503 . 1 1 92 92 LEU N N 15 125.47 0.01 . 1 . . . . 92 LEU N . 19819 2 504 . 1 1 93 93 GLY H H 1 10.620 0.01 . 1 . . . . 93 GLY H . 19819 2 505 . 1 1 93 93 GLY HA2 H 1 6.481 0.01 . 2 . . . . 93 GLY HA2 . 19819 2 506 . 1 1 93 93 GLY HA3 H 1 6.481 0.01 . 2 . . . . 93 GLY HA3 . 19819 2 507 . 1 1 93 93 GLY C C 13 176.66 0.01 . 1 . . . . 93 GLY C . 19819 2 508 . 1 1 93 93 GLY CA C 13 50.60 0.01 . 1 . . . . 93 GLY CA . 19819 2 509 . 1 1 93 93 GLY N N 15 116.42 0.01 . 1 . . . . 93 GLY N . 19819 2 510 . 1 1 94 94 ARG H H 1 9.575 0.01 . 1 . . . . 94 ARG H . 19819 2 511 . 1 1 94 94 ARG HA H 1 4.699 0.01 . 1 . . . . 94 ARG HA . 19819 2 512 . 1 1 94 94 ARG C C 13 180.61 0.01 . 1 . . . . 94 ARG C . 19819 2 513 . 1 1 94 94 ARG CA C 13 61.36 0.01 . 1 . . . . 94 ARG CA . 19819 2 514 . 1 1 94 94 ARG CB C 13 30.38 0.01 . 1 . . . . 94 ARG CB . 19819 2 515 . 1 1 94 94 ARG N N 15 124.51 0.01 . 1 . . . . 94 ARG N . 19819 2 516 . 1 1 95 95 LYS H H 1 9.322 0.01 . 1 . . . . 95 LYS H . 19819 2 517 . 1 1 95 95 LYS HA H 1 5.198 0.01 . 1 . . . . 95 LYS HA . 19819 2 518 . 1 1 95 95 LYS C C 13 180.84 0.01 . 1 . . . . 95 LYS C . 19819 2 519 . 1 1 95 95 LYS CA C 13 60.88 0.01 . 1 . . . . 95 LYS CA . 19819 2 520 . 1 1 95 95 LYS CB C 13 33.58 0.01 . 1 . . . . 95 LYS CB . 19819 2 521 . 1 1 95 95 LYS N N 15 120.93 0.01 . 1 . . . . 95 LYS N . 19819 2 522 . 1 1 96 96 HIS H H 1 11.304 0.01 . 1 . . . . 96 HIS H . 19819 2 523 . 1 1 96 96 HIS C C 13 178.31 0.01 . 1 . . . . 96 HIS C . 19819 2 524 . 1 1 96 96 HIS CA C 13 71.15 0.01 . 1 . . . . 96 HIS CA . 19819 2 525 . 1 1 96 96 HIS CB C 13 27.48 0.01 . 1 . . . . 96 HIS CB . 19819 2 526 . 1 1 96 96 HIS N N 15 120.04 0.01 . 1 . . . . 96 HIS N . 19819 2 527 . 1 1 97 97 ARG H H 1 9.529 0.01 . 1 . . . . 97 ARG H . 19819 2 528 . 1 1 97 97 ARG HA H 1 4.693 0.01 . 1 . . . . 97 ARG HA . 19819 2 529 . 1 1 97 97 ARG C C 13 180.74 0.01 . 1 . . . . 97 ARG C . 19819 2 530 . 1 1 97 97 ARG CA C 13 60.15 0.01 . 1 . . . . 97 ARG CA . 19819 2 531 . 1 1 97 97 ARG CB C 13 29.21 0.01 . 1 . . . . 97 ARG CB . 19819 2 532 . 1 1 97 97 ARG N N 15 124.19 0.01 . 1 . . . . 97 ARG N . 19819 2 533 . 1 1 98 98 ALA H H 1 8.632 0.01 . 1 . . . . 98 ALA H . 19819 2 534 . 1 1 98 98 ALA HA H 1 4.445 0.01 . 1 . . . . 98 ALA HA . 19819 2 535 . 1 1 98 98 ALA C C 13 179.76 0.01 . 1 . . . . 98 ALA C . 19819 2 536 . 1 1 98 98 ALA CA C 13 55.42 0.01 . 1 . . . . 98 ALA CA . 19819 2 537 . 1 1 98 98 ALA CB C 13 18.87 0.01 . 1 . . . . 98 ALA CB . 19819 2 538 . 1 1 98 98 ALA N N 15 121.41 0.01 . 1 . . . . 98 ALA N . 19819 2 539 . 1 1 99 99 VAL H H 1 7.937 0.01 . 1 . . . . 99 VAL H . 19819 2 540 . 1 1 99 99 VAL HA H 1 4.533 0.01 . 1 . . . . 99 VAL HA . 19819 2 541 . 1 1 99 99 VAL C C 13 175.86 0.01 . 1 . . . . 99 VAL C . 19819 2 542 . 1 1 99 99 VAL CA C 13 61.91 0.01 . 1 . . . . 99 VAL CA . 19819 2 543 . 1 1 99 99 VAL CB C 13 31.69 0.01 . 1 . . . . 99 VAL CB . 19819 2 544 . 1 1 99 99 VAL N N 15 111.06 0.01 . 1 . . . . 99 VAL N . 19819 2 545 . 1 1 100 100 GLY H H 1 7.697 0.01 . 1 . . . . 100 GLY H . 19819 2 546 . 1 1 100 100 GLY HA2 H 1 4.105 0.01 . 2 . . . . 100 GLY HA2 . 19819 2 547 . 1 1 100 100 GLY HA3 H 1 3.669 0.01 . 2 . . . . 100 GLY HA3 . 19819 2 548 . 1 1 100 100 GLY C C 13 174.77 0.01 . 1 . . . . 100 GLY C . 19819 2 549 . 1 1 100 100 GLY CA C 13 45.45 0.01 . 1 . . . . 100 GLY CA . 19819 2 550 . 1 1 100 100 GLY N N 15 106.26 0.01 . 1 . . . . 100 GLY N . 19819 2 551 . 1 1 101 101 VAL H H 1 7.400 0.01 . 1 . . . . 101 VAL H . 19819 2 552 . 1 1 101 101 VAL HA H 1 2.766 0.01 . 1 . . . . 101 VAL HA . 19819 2 553 . 1 1 101 101 VAL C C 13 175.24 0.01 . 1 . . . . 101 VAL C . 19819 2 554 . 1 1 101 101 VAL CA C 13 63.06 0.01 . 1 . . . . 101 VAL CA . 19819 2 555 . 1 1 101 101 VAL CB C 13 31.14 0.01 . 1 . . . . 101 VAL CB . 19819 2 556 . 1 1 101 101 VAL N N 15 120.67 0.01 . 1 . . . . 101 VAL N . 19819 2 557 . 1 1 102 102 ARG H H 1 8.474 0.01 . 1 . . . . 102 ARG H . 19819 2 558 . 1 1 102 102 ARG HA H 1 4.412 0.01 . 1 . . . . 102 ARG HA . 19819 2 559 . 1 1 102 102 ARG C C 13 176.75 0.01 . 1 . . . . 102 ARG C . 19819 2 560 . 1 1 102 102 ARG CA C 13 54.27 0.01 . 1 . . . . 102 ARG CA . 19819 2 561 . 1 1 102 102 ARG CB C 13 31.10 0.01 . 1 . . . . 102 ARG CB . 19819 2 562 . 1 1 102 102 ARG N N 15 126.96 0.01 . 1 . . . . 102 ARG N . 19819 2 563 . 1 1 103 103 LEU H H 1 8.233 0.01 . 1 . . . . 103 LEU H . 19819 2 564 . 1 1 103 103 LEU HA H 1 3.206 0.01 . 1 . . . . 103 LEU HA . 19819 2 565 . 1 1 103 103 LEU C C 13 180.22 0.01 . 1 . . . . 103 LEU C . 19819 2 566 . 1 1 103 103 LEU CA C 13 57.20 0.01 . 1 . . . . 103 LEU CA . 19819 2 567 . 1 1 103 103 LEU CB C 13 41.86 0.01 . 1 . . . . 103 LEU CB . 19819 2 568 . 1 1 103 103 LEU N N 15 121.90 0.01 . 1 . . . . 103 LEU N . 19819 2 569 . 1 1 104 104 SER H H 1 7.936 0.01 . 1 . . . . 104 SER H . 19819 2 570 . 1 1 104 104 SER HA H 1 3.905 0.01 . 1 . . . . 104 SER HA . 19819 2 571 . 1 1 104 104 SER C C 13 176.76 0.01 . 1 . . . . 104 SER C . 19819 2 572 . 1 1 104 104 SER CA C 13 60.40 0.01 . 1 . . . . 104 SER CA . 19819 2 573 . 1 1 104 104 SER CB C 13 62.00 0.01 . 1 . . . . 104 SER CB . 19819 2 574 . 1 1 104 104 SER N N 15 112.29 0.01 . 1 . . . . 104 SER N . 19819 2 575 . 1 1 105 105 SER H H 1 7.254 0.01 . 1 . . . . 105 SER H . 19819 2 576 . 1 1 105 105 SER HA H 1 4.258 0.01 . 1 . . . . 105 SER HA . 19819 2 577 . 1 1 105 105 SER C C 13 174.88 0.01 . 1 . . . . 105 SER C . 19819 2 578 . 1 1 105 105 SER CA C 13 60.79 0.01 . 1 . . . . 105 SER CA . 19819 2 579 . 1 1 105 105 SER CB C 13 62.10 0.01 . 1 . . . . 105 SER CB . 19819 2 580 . 1 1 105 105 SER N N 15 117.31 0.01 . 1 . . . . 105 SER N . 19819 2 581 . 1 1 106 106 PHE H H 1 7.478 0.01 . 1 . . . . 106 PHE H . 19819 2 582 . 1 1 106 106 PHE HA H 1 3.291 0.01 . 1 . . . . 106 PHE HA . 19819 2 583 . 1 1 106 106 PHE C C 13 180.77 0.01 . 1 . . . . 106 PHE C . 19819 2 584 . 1 1 106 106 PHE CA C 13 62.68 0.01 . 1 . . . . 106 PHE CA . 19819 2 585 . 1 1 106 106 PHE CB C 13 37.67 0.01 . 1 . . . . 106 PHE CB . 19819 2 586 . 1 1 106 106 PHE N N 15 118.52 0.01 . 1 . . . . 106 PHE N . 19819 2 587 . 1 1 107 107 SER HA H 1 3.869 0.01 . 1 . . . . 107 SER HA . 19819 2 588 . 1 1 107 107 SER C C 13 176.06 0.01 . 1 . . . . 107 SER C . 19819 2 589 . 1 1 107 107 SER CA C 13 62.38 0.01 . 1 . . . . 107 SER CA . 19819 2 590 . 1 1 107 107 SER CB C 13 62.38 0.01 . 1 . . . . 107 SER CB . 19819 2 591 . 1 1 108 108 THR H H 1 6.940 0.01 . 1 . . . . 108 THR H . 19819 2 592 . 1 1 108 108 THR HA H 1 3.766 0.01 . 1 . . . . 108 THR HA . 19819 2 593 . 1 1 108 108 THR C C 13 177.99 0.01 . 1 . . . . 108 THR C . 19819 2 594 . 1 1 108 108 THR CA C 13 65.28 0.01 . 1 . . . . 108 THR CA . 19819 2 595 . 1 1 108 108 THR CB C 13 67.69 0.01 . 1 . . . . 108 THR CB . 19819 2 596 . 1 1 108 108 THR N N 15 119.52 0.01 . 1 . . . . 108 THR N . 19819 2 597 . 1 1 109 109 VAL H H 1 6.842 0.01 . 1 . . . . 109 VAL H . 19819 2 598 . 1 1 109 109 VAL HA H 1 3.353 0.01 . 1 . . . . 109 VAL HA . 19819 2 599 . 1 1 109 109 VAL C C 13 176.83 0.01 . 1 . . . . 109 VAL C . 19819 2 600 . 1 1 109 109 VAL CA C 13 67.36 0.01 . 1 . . . . 109 VAL CA . 19819 2 601 . 1 1 109 109 VAL CB C 13 30.87 0.01 . 1 . . . . 109 VAL CB . 19819 2 602 . 1 1 109 109 VAL N N 15 122.57 0.01 . 1 . . . . 109 VAL N . 19819 2 603 . 1 1 110 110 GLY H H 1 7.294 0.01 . 1 . . . . 110 GLY H . 19819 2 604 . 1 1 110 110 GLY HA2 H 1 3.212 0.01 . 2 . . . . 110 GLY HA2 . 19819 2 605 . 1 1 110 110 GLY HA3 H 1 2.273 0.01 . 2 . . . . 110 GLY HA3 . 19819 2 606 . 1 1 110 110 GLY C C 13 175.56 0.01 . 1 . . . . 110 GLY C . 19819 2 607 . 1 1 110 110 GLY CA C 13 47.63 0.01 . 1 . . . . 110 GLY CA . 19819 2 608 . 1 1 110 110 GLY N N 15 108.43 0.01 . 1 . . . . 110 GLY N . 19819 2 609 . 1 1 111 111 GLU H H 1 7.789 0.01 . 1 . . . . 111 GLU H . 19819 2 610 . 1 1 111 111 GLU HA H 1 3.910 0.01 . 1 . . . . 111 GLU HA . 19819 2 611 . 1 1 111 111 GLU C C 13 180.28 0.01 . 1 . . . . 111 GLU C . 19819 2 612 . 1 1 111 111 GLU CA C 13 59.33 0.01 . 1 . . . . 111 GLU CA . 19819 2 613 . 1 1 111 111 GLU CB C 13 29.34 0.01 . 1 . . . . 111 GLU CB . 19819 2 614 . 1 1 111 111 GLU N N 15 119.76 0.01 . 1 . . . . 111 GLU N . 19819 2 615 . 1 1 112 112 SER H H 1 7.726 0.01 . 1 . . . . 112 SER H . 19819 2 616 . 1 1 112 112 SER HA H 1 4.128 0.01 . 1 . . . . 112 SER HA . 19819 2 617 . 1 1 112 112 SER C C 13 175.29 0.01 . 1 . . . . 112 SER C . 19819 2 618 . 1 1 112 112 SER CA C 13 63.02 0.01 . 1 . . . . 112 SER CA . 19819 2 619 . 1 1 112 112 SER CB C 13 63.02 0.01 . 1 . . . . 112 SER CB . 19819 2 620 . 1 1 112 112 SER N N 15 118.38 0.01 . 1 . . . . 112 SER N . 19819 2 621 . 1 1 113 113 LEU H H 1 8.533 0.01 . 1 . . . . 113 LEU H . 19819 2 622 . 1 1 113 113 LEU HA H 1 4.409 0.01 . 1 . . . . 113 LEU HA . 19819 2 623 . 1 1 113 113 LEU C C 13 177.96 0.01 . 1 . . . . 113 LEU C . 19819 2 624 . 1 1 113 113 LEU CA C 13 58.79 0.01 . 1 . . . . 113 LEU CA . 19819 2 625 . 1 1 113 113 LEU CB C 13 41.80 0.01 . 1 . . . . 113 LEU CB . 19819 2 626 . 1 1 113 113 LEU N N 15 125.47 0.01 . 1 . . . . 113 LEU N . 19819 2 627 . 1 1 114 114 LEU H H 1 7.962 0.01 . 1 . . . . 114 LEU H . 19819 2 628 . 1 1 114 114 LEU HA H 1 3.869 0.01 . 1 . . . . 114 LEU HA . 19819 2 629 . 1 1 114 114 LEU C C 13 178.88 0.01 . 1 . . . . 114 LEU C . 19819 2 630 . 1 1 114 114 LEU CA C 13 58.51 0.01 . 1 . . . . 114 LEU CA . 19819 2 631 . 1 1 114 114 LEU CB C 13 40.85 0.01 . 1 . . . . 114 LEU CB . 19819 2 632 . 1 1 114 114 LEU N N 15 117.51 0.01 . 1 . . . . 114 LEU N . 19819 2 633 . 1 1 115 115 TYR H H 1 8.110 0.01 . 1 . . . . 115 TYR H . 19819 2 634 . 1 1 115 115 TYR HA H 1 4.118 0.01 . 1 . . . . 115 TYR HA . 19819 2 635 . 1 1 115 115 TYR C C 13 176.60 0.01 . 1 . . . . 115 TYR C . 19819 2 636 . 1 1 115 115 TYR CA C 13 61.78 0.01 . 1 . . . . 115 TYR CA . 19819 2 637 . 1 1 115 115 TYR CB C 13 38.77 0.01 . 1 . . . . 115 TYR CB . 19819 2 638 . 1 1 115 115 TYR N N 15 121.04 0.01 . 1 . . . . 115 TYR N . 19819 2 639 . 1 1 116 116 MET H H 1 8.310 0.01 . 1 . . . . 116 MET H . 19819 2 640 . 1 1 116 116 MET HA H 1 3.802 0.01 . 1 . . . . 116 MET HA . 19819 2 641 . 1 1 116 116 MET C C 13 179.05 0.01 . 1 . . . . 116 MET C . 19819 2 642 . 1 1 116 116 MET CA C 13 59.40 0.01 . 1 . . . . 116 MET CA . 19819 2 643 . 1 1 116 116 MET CB C 13 31.92 0.01 . 1 . . . . 116 MET CB . 19819 2 644 . 1 1 116 116 MET N N 15 119.98 0.01 . 1 . . . . 116 MET N . 19819 2 645 . 1 1 117 117 LEU H H 1 8.007 0.01 . 1 . . . . 117 LEU H . 19819 2 646 . 1 1 117 117 LEU HA H 1 3.478 0.01 . 1 . . . . 117 LEU HA . 19819 2 647 . 1 1 117 117 LEU C C 13 177.56 0.01 . 1 . . . . 117 LEU C . 19819 2 648 . 1 1 117 117 LEU CA C 13 57.89 0.01 . 1 . . . . 117 LEU CA . 19819 2 649 . 1 1 117 117 LEU CB C 13 42.13 0.01 . 1 . . . . 117 LEU CB . 19819 2 650 . 1 1 117 117 LEU N N 15 121.82 0.01 . 1 . . . . 117 LEU N . 19819 2 651 . 1 1 118 118 GLU H H 1 7.926 0.01 . 1 . . . . 118 GLU H . 19819 2 652 . 1 1 118 118 GLU HA H 1 3.253 0.01 . 1 . . . . 118 GLU HA . 19819 2 653 . 1 1 118 118 GLU C C 13 179.83 0.01 . 1 . . . . 118 GLU C . 19819 2 654 . 1 1 118 118 GLU CA C 13 59.92 0.01 . 1 . . . . 118 GLU CA . 19819 2 655 . 1 1 118 118 GLU CB C 13 29.32 0.01 . 1 . . . . 118 GLU CB . 19819 2 656 . 1 1 118 118 GLU N N 15 121.35 0.01 . 1 . . . . 118 GLU N . 19819 2 657 . 1 1 119 119 LYS H H 1 8.095 0.01 . 1 . . . . 119 LYS H . 19819 2 658 . 1 1 119 119 LYS HA H 1 3.885 0.01 . 1 . . . . 119 LYS HA . 19819 2 659 . 1 1 119 119 LYS C C 13 178.82 0.01 . 1 . . . . 119 LYS C . 19819 2 660 . 1 1 119 119 LYS CA C 13 57.61 0.01 . 1 . . . . 119 LYS CA . 19819 2 661 . 1 1 119 119 LYS CB C 13 31.46 0.01 . 1 . . . . 119 LYS CB . 19819 2 662 . 1 1 119 119 LYS N N 15 118.35 0.01 . 1 . . . . 119 LYS N . 19819 2 663 . 1 1 120 120 SER H H 1 7.729 0.01 . 1 . . . . 120 SER H . 19819 2 664 . 1 1 120 120 SER HA H 1 4.238 0.01 . 1 . . . . 120 SER HA . 19819 2 665 . 1 1 120 120 SER C C 13 176.27 0.01 . 1 . . . . 120 SER C . 19819 2 666 . 1 1 120 120 SER CA C 13 60.52 0.01 . 1 . . . . 120 SER CA . 19819 2 667 . 1 1 120 120 SER CB C 13 63.56 0.01 . 1 . . . . 120 SER CB . 19819 2 668 . 1 1 120 120 SER N N 15 112.47 0.01 . 1 . . . . 120 SER N . 19819 2 669 . 1 1 121 121 LEU H H 1 8.126 0.01 . 1 . . . . 121 LEU H . 19819 2 670 . 1 1 121 121 LEU HA H 1 4.414 0.01 . 1 . . . . 121 LEU HA . 19819 2 671 . 1 1 121 121 LEU C C 13 179.32 0.01 . 1 . . . . 121 LEU C . 19819 2 672 . 1 1 121 121 LEU CA C 13 55.71 0.01 . 1 . . . . 121 LEU CA . 19819 2 673 . 1 1 121 121 LEU CB C 13 44.31 0.01 . 1 . . . . 121 LEU CB . 19819 2 674 . 1 1 121 121 LEU N N 15 118.80 0.01 . 1 . . . . 121 LEU N . 19819 2 675 . 1 1 122 122 GLY H H 1 8.218 0.01 . 1 . . . . 122 GLY H . 19819 2 676 . 1 1 122 122 GLY HA2 H 1 4.196 0.01 . 2 . . . . 122 GLY HA2 . 19819 2 677 . 1 1 122 122 GLY HA3 H 1 3.784 0.01 . 2 . . . . 122 GLY HA3 . 19819 2 678 . 1 1 122 122 GLY C C 13 174.95 0.01 . 1 . . . . 122 GLY C . 19819 2 679 . 1 1 122 122 GLY CA C 13 45.62 0.01 . 1 . . . . 122 GLY CA . 19819 2 680 . 1 1 122 122 GLY N N 15 111.97 0.01 . 1 . . . . 122 GLY N . 19819 2 681 . 1 1 123 123 PRO HA H 1 4.440 0.01 . 1 . . . . 123 PRO HA . 19819 2 682 . 1 1 123 123 PRO C C 13 177.28 0.01 . 1 . . . . 123 PRO C . 19819 2 683 . 1 1 123 123 PRO CA C 13 64.29 0.01 . 1 . . . . 123 PRO CA . 19819 2 684 . 1 1 123 123 PRO CB C 13 32.03 0.01 . 1 . . . . 123 PRO CB . 19819 2 685 . 1 1 124 124 ASP H H 1 7.617 0.01 . 1 . . . . 124 ASP H . 19819 2 686 . 1 1 124 124 ASP HA H 1 4.796 0.01 . 1 . . . . 124 ASP HA . 19819 2 687 . 1 1 124 124 ASP C C 13 176.87 0.01 . 1 . . . . 124 ASP C . 19819 2 688 . 1 1 124 124 ASP CA C 13 55.60 0.01 . 1 . . . . 124 ASP CA . 19819 2 689 . 1 1 124 124 ASP CB C 13 40.49 0.01 . 1 . . . . 124 ASP CB . 19819 2 690 . 1 1 124 124 ASP N N 15 116.28 0.01 . 1 . . . . 124 ASP N . 19819 2 691 . 1 1 125 125 PHE H H 1 8.482 0.01 . 1 . . . . 125 PHE H . 19819 2 692 . 1 1 125 125 PHE HA H 1 4.816 0.01 . 1 . . . . 125 PHE HA . 19819 2 693 . 1 1 125 125 PHE C C 13 173.80 0.01 . 1 . . . . 125 PHE C . 19819 2 694 . 1 1 125 125 PHE CA C 13 56.41 0.01 . 1 . . . . 125 PHE CA . 19819 2 695 . 1 1 125 125 PHE CB C 13 36.97 0.01 . 1 . . . . 125 PHE CB . 19819 2 696 . 1 1 125 125 PHE N N 15 125.68 0.01 . 1 . . . . 125 PHE N . 19819 2 697 . 1 1 126 126 THR H H 1 7.257 0.01 . 1 . . . . 126 THR H . 19819 2 698 . 1 1 126 126 THR HA H 1 4.618 0.01 . 1 . . . . 126 THR HA . 19819 2 699 . 1 1 126 126 THR C C 13 173.12 0.01 . 1 . . . . 126 THR C . 19819 2 700 . 1 1 126 126 THR CA C 13 60.23 0.01 . 1 . . . . 126 THR CA . 19819 2 701 . 1 1 126 126 THR CB C 13 68.81 0.01 . 1 . . . . 126 THR CB . 19819 2 702 . 1 1 126 126 THR N N 15 114.29 0.01 . 1 . . . . 126 THR N . 19819 2 703 . 1 1 127 127 PRO HA H 1 4.137 0.01 . 1 . . . . 127 PRO HA . 19819 2 704 . 1 1 127 127 PRO C C 13 179.07 0.01 . 1 . . . . 127 PRO C . 19819 2 705 . 1 1 127 127 PRO CA C 13 66.28 0.01 . 1 . . . . 127 PRO CA . 19819 2 706 . 1 1 127 127 PRO CB C 13 31.58 0.01 . 1 . . . . 127 PRO CB . 19819 2 707 . 1 1 128 128 ALA H H 1 8.283 0.01 . 1 . . . . 128 ALA H . 19819 2 708 . 1 1 128 128 ALA HA H 1 4.109 0.01 . 1 . . . . 128 ALA HA . 19819 2 709 . 1 1 128 128 ALA C C 13 180.77 0.01 . 1 . . . . 128 ALA C . 19819 2 710 . 1 1 128 128 ALA CA C 13 55.22 0.01 . 1 . . . . 128 ALA CA . 19819 2 711 . 1 1 128 128 ALA CB C 13 18.61 0.01 . 1 . . . . 128 ALA CB . 19819 2 712 . 1 1 128 128 ALA N N 15 118.32 0.01 . 1 . . . . 128 ALA N . 19819 2 713 . 1 1 129 129 THR H H 1 7.821 0.01 . 1 . . . . 129 THR H . 19819 2 714 . 1 1 129 129 THR HA H 1 3.793 0.01 . 1 . . . . 129 THR HA . 19819 2 715 . 1 1 129 129 THR C C 13 175.49 0.01 . 1 . . . . 129 THR C . 19819 2 716 . 1 1 129 129 THR CA C 13 68.00 0.01 . 1 . . . . 129 THR CA . 19819 2 717 . 1 1 129 129 THR CB C 13 68.00 0.01 . 1 . . . . 129 THR CB . 19819 2 718 . 1 1 129 129 THR N N 15 119.26 0.01 . 1 . . . . 129 THR N . 19819 2 719 . 1 1 130 130 ARG H H 1 8.089 0.01 . 1 . . . . 130 ARG H . 19819 2 720 . 1 1 130 130 ARG HA H 1 3.691 0.01 . 1 . . . . 130 ARG HA . 19819 2 721 . 1 1 130 130 ARG C C 13 178.72 0.01 . 1 . . . . 130 ARG C . 19819 2 722 . 1 1 130 130 ARG CA C 13 60.20 0.01 . 1 . . . . 130 ARG CA . 19819 2 723 . 1 1 130 130 ARG CB C 13 29.74 0.01 . 1 . . . . 130 ARG CB . 19819 2 724 . 1 1 130 130 ARG N N 15 123.77 0.01 . 1 . . . . 130 ARG N . 19819 2 725 . 1 1 131 131 THR H H 1 8.527 0.01 . 1 . . . . 131 THR H . 19819 2 726 . 1 1 131 131 THR HA H 1 3.841 0.01 . 1 . . . . 131 THR HA . 19819 2 727 . 1 1 131 131 THR C C 13 176.21 0.01 . 1 . . . . 131 THR C . 19819 2 728 . 1 1 131 131 THR CA C 13 66.92 0.01 . 1 . . . . 131 THR CA . 19819 2 729 . 1 1 131 131 THR CB C 13 68.84 0.01 . 1 . . . . 131 THR CB . 19819 2 730 . 1 1 131 131 THR N N 15 117.61 0.01 . 1 . . . . 131 THR N . 19819 2 731 . 1 1 132 132 ALA H H 1 7.925 0.01 . 1 . . . . 132 ALA H . 19819 2 732 . 1 1 132 132 ALA HA H 1 4.016 0.01 . 1 . . . . 132 ALA HA . 19819 2 733 . 1 1 132 132 ALA C C 13 179.92 0.01 . 1 . . . . 132 ALA C . 19819 2 734 . 1 1 132 132 ALA CA C 13 55.87 0.01 . 1 . . . . 132 ALA CA . 19819 2 735 . 1 1 132 132 ALA CB C 13 18.15 0.01 . 1 . . . . 132 ALA CB . 19819 2 736 . 1 1 132 132 ALA N N 15 124.39 0.01 . 1 . . . . 132 ALA N . 19819 2 737 . 1 1 133 133 TRP H H 1 8.362 0.01 . 1 . . . . 133 TRP H . 19819 2 738 . 1 1 133 133 TRP HA H 1 4.040 0.01 . 1 . . . . 133 TRP HA . 19819 2 739 . 1 1 133 133 TRP C C 13 178.95 0.01 . 1 . . . . 133 TRP C . 19819 2 740 . 1 1 133 133 TRP CA C 13 62.24 0.01 . 1 . . . . 133 TRP CA . 19819 2 741 . 1 1 133 133 TRP CB C 13 29.44 0.01 . 1 . . . . 133 TRP CB . 19819 2 742 . 1 1 133 133 TRP N N 15 118.35 0.01 . 1 . . . . 133 TRP N . 19819 2 743 . 1 1 134 134 SER H H 1 8.684 0.01 . 1 . . . . 134 SER H . 19819 2 744 . 1 1 134 134 SER HA H 1 4.335 0.01 . 1 . . . . 134 SER HA . 19819 2 745 . 1 1 134 134 SER C C 13 177.70 0.01 . 1 . . . . 134 SER C . 19819 2 746 . 1 1 134 134 SER CA C 13 62.78 0.01 . 1 . . . . 134 SER CA . 19819 2 747 . 1 1 134 134 SER CB C 13 62.78 0.01 . 1 . . . . 134 SER CB . 19819 2 748 . 1 1 134 134 SER N N 15 115.87 0.01 . 1 . . . . 134 SER N . 19819 2 749 . 1 1 135 135 ARG H H 1 8.077 0.01 . 1 . . . . 135 ARG H . 19819 2 750 . 1 1 135 135 ARG HA H 1 4.086 0.01 . 1 . . . . 135 ARG HA . 19819 2 751 . 1 1 135 135 ARG C C 13 178.91 0.01 . 1 . . . . 135 ARG C . 19819 2 752 . 1 1 135 135 ARG CA C 13 59.72 0.01 . 1 . . . . 135 ARG CA . 19819 2 753 . 1 1 135 135 ARG CB C 13 29.76 0.01 . 1 . . . . 135 ARG CB . 19819 2 754 . 1 1 135 135 ARG N N 15 123.71 0.01 . 1 . . . . 135 ARG N . 19819 2 755 . 1 1 136 136 LEU H H 1 8.081 0.01 . 1 . . . . 136 LEU H . 19819 2 756 . 1 1 136 136 LEU HA H 1 3.981 0.01 . 1 . . . . 136 LEU HA . 19819 2 757 . 1 1 136 136 LEU C C 13 178.00 0.01 . 1 . . . . 136 LEU C . 19819 2 758 . 1 1 136 136 LEU CA C 13 58.40 0.01 . 1 . . . . 136 LEU CA . 19819 2 759 . 1 1 136 136 LEU CB C 13 41.56 0.01 . 1 . . . . 136 LEU CB . 19819 2 760 . 1 1 136 136 LEU N N 15 122.34 0.01 . 1 . . . . 136 LEU N . 19819 2 761 . 1 1 137 137 TYR H H 1 9.100 0.01 . 1 . . . . 137 TYR H . 19819 2 762 . 1 1 137 137 TYR HA H 1 3.674 0.01 . 1 . . . . 137 TYR HA . 19819 2 763 . 1 1 137 137 TYR C C 13 177.11 0.01 . 1 . . . . 137 TYR C . 19819 2 764 . 1 1 137 137 TYR CA C 13 63.58 0.01 . 1 . . . . 137 TYR CA . 19819 2 765 . 1 1 137 137 TYR CB C 13 38.71 0.01 . 1 . . . . 137 TYR CB . 19819 2 766 . 1 1 137 137 TYR N N 15 118.85 0.01 . 1 . . . . 137 TYR N . 19819 2 767 . 1 1 138 138 GLY H H 1 8.155 0.01 . 1 . . . . 138 GLY H . 19819 2 768 . 1 1 138 138 GLY HA2 H 1 3.779 0.01 . 2 . . . . 138 GLY HA2 . 19819 2 769 . 1 1 138 138 GLY HA3 H 1 3.528 0.01 . 2 . . . . 138 GLY HA3 . 19819 2 770 . 1 1 138 138 GLY C C 13 176.03 0.01 . 1 . . . . 138 GLY C . 19819 2 771 . 1 1 138 138 GLY CA C 13 47.31 0.01 . 1 . . . . 138 GLY CA . 19819 2 772 . 1 1 138 138 GLY N N 15 103.88 0.01 . 1 . . . . 138 GLY N . 19819 2 773 . 1 1 139 139 ALA H H 1 7.853 0.01 . 1 . . . . 139 ALA H . 19819 2 774 . 1 1 139 139 ALA HA H 1 3.995 0.01 . 1 . . . . 139 ALA HA . 19819 2 775 . 1 1 139 139 ALA C C 13 180.91 0.01 . 1 . . . . 139 ALA C . 19819 2 776 . 1 1 139 139 ALA CA C 13 55.33 0.01 . 1 . . . . 139 ALA CA . 19819 2 777 . 1 1 139 139 ALA CB C 13 18.18 0.01 . 1 . . . . 139 ALA CB . 19819 2 778 . 1 1 139 139 ALA N N 15 125.47 0.01 . 1 . . . . 139 ALA N . 19819 2 779 . 1 1 140 140 VAL H H 1 7.952 0.01 . 1 . . . . 140 VAL H . 19819 2 780 . 1 1 140 140 VAL HA H 1 3.380 0.01 . 1 . . . . 140 VAL HA . 19819 2 781 . 1 1 140 140 VAL C C 13 177.84 0.01 . 1 . . . . 140 VAL C . 19819 2 782 . 1 1 140 140 VAL CA C 13 66.70 0.01 . 1 . . . . 140 VAL CA . 19819 2 783 . 1 1 140 140 VAL CB C 13 31.13 0.01 . 1 . . . . 140 VAL CB . 19819 2 784 . 1 1 140 140 VAL N N 15 121.69 0.01 . 1 . . . . 140 VAL N . 19819 2 785 . 1 1 141 141 VAL H H 1 8.133 0.01 . 1 . . . . 141 VAL H . 19819 2 786 . 1 1 141 141 VAL HA H 1 2.807 0.01 . 1 . . . . 141 VAL HA . 19819 2 787 . 1 1 141 141 VAL C C 13 178.93 0.01 . 1 . . . . 141 VAL C . 19819 2 788 . 1 1 141 141 VAL CA C 13 66.63 0.01 . 1 . . . . 141 VAL CA . 19819 2 789 . 1 1 141 141 VAL N N 15 119.68 0.01 . 1 . . . . 141 VAL N . 19819 2 790 . 1 1 142 142 GLN H H 1 8.324 0.01 . 1 . . . . 142 GLN H . 19819 2 791 . 1 1 142 142 GLN HA H 1 3.753 0.01 . 1 . . . . 142 GLN HA . 19819 2 792 . 1 1 142 142 GLN C C 13 178.89 0.01 . 1 . . . . 142 GLN C . 19819 2 793 . 1 1 142 142 GLN CA C 13 59.49 0.01 . 1 . . . . 142 GLN CA . 19819 2 794 . 1 1 142 142 GLN CB C 13 28.29 0.01 . 1 . . . . 142 GLN CB . 19819 2 795 . 1 1 142 142 GLN N N 15 121.31 0.01 . 1 . . . . 142 GLN N . 19819 2 796 . 1 1 143 143 ALA H H 1 7.416 0.01 . 1 . . . . 143 ALA H . 19819 2 797 . 1 1 143 143 ALA HA H 1 4.223 0.01 . 1 . . . . 143 ALA HA . 19819 2 798 . 1 1 143 143 ALA C C 13 180.45 0.01 . 1 . . . . 143 ALA C . 19819 2 799 . 1 1 143 143 ALA CA C 13 55.47 0.01 . 1 . . . . 143 ALA CA . 19819 2 800 . 1 1 143 143 ALA CB C 13 19.36 0.01 . 1 . . . . 143 ALA CB . 19819 2 801 . 1 1 143 143 ALA N N 15 121.09 0.01 . 1 . . . . 143 ALA N . 19819 2 802 . 1 1 144 144 MET H H 1 8.409 0.01 . 1 . . . . 144 MET H . 19819 2 803 . 1 1 144 144 MET HA H 1 4.773 0.01 . 1 . . . . 144 MET HA . 19819 2 804 . 1 1 144 144 MET C C 13 180.35 0.01 . 1 . . . . 144 MET C . 19819 2 805 . 1 1 144 144 MET CA C 13 59.91 0.01 . 1 . . . . 144 MET CA . 19819 2 806 . 1 1 144 144 MET CB C 13 34.45 0.01 . 1 . . . . 144 MET CB . 19819 2 807 . 1 1 144 144 MET N N 15 116.43 0.01 . 1 . . . . 144 MET N . 19819 2 808 . 1 1 145 145 SER H H 1 8.861 0.01 . 1 . . . . 145 SER H . 19819 2 809 . 1 1 145 145 SER HA H 1 4.549 0.01 . 1 . . . . 145 SER HA . 19819 2 810 . 1 1 145 145 SER C C 13 176.44 0.01 . 1 . . . . 145 SER C . 19819 2 811 . 1 1 145 145 SER CA C 13 61.67 0.01 . 1 . . . . 145 SER CA . 19819 2 812 . 1 1 145 145 SER CB C 13 62.93 0.01 . 1 . . . . 145 SER CB . 19819 2 813 . 1 1 145 145 SER N N 15 114.25 0.01 . 1 . . . . 145 SER N . 19819 2 814 . 1 1 146 146 ARG H H 1 7.740 0.01 . 1 . . . . 146 ARG H . 19819 2 815 . 1 1 146 146 ARG HA H 1 4.503 0.01 . 1 . . . . 146 ARG HA . 19819 2 816 . 1 1 146 146 ARG C C 13 179.40 0.01 . 1 . . . . 146 ARG C . 19819 2 817 . 1 1 146 146 ARG CA C 13 58.96 0.01 . 1 . . . . 146 ARG CA . 19819 2 818 . 1 1 146 146 ARG CB C 13 30.23 0.01 . 1 . . . . 146 ARG CB . 19819 2 819 . 1 1 146 146 ARG N N 15 124.08 0.01 . 1 . . . . 146 ARG N . 19819 2 820 . 1 1 147 147 GLY H H 1 9.226 0.01 . 1 . . . . 147 GLY H . 19819 2 821 . 1 1 147 147 GLY HA2 H 1 4.498 0.01 . 2 . . . . 147 GLY HA2 . 19819 2 822 . 1 1 147 147 GLY HA3 H 1 4.328 0.01 . 2 . . . . 147 GLY HA3 . 19819 2 823 . 1 1 147 147 GLY C C 13 173.74 0.01 . 1 . . . . 147 GLY C . 19819 2 824 . 1 1 147 147 GLY CA C 13 47.00 0.01 . 1 . . . . 147 GLY CA . 19819 2 825 . 1 1 147 147 GLY N N 15 107.61 0.01 . 1 . . . . 147 GLY N . 19819 2 826 . 1 1 148 148 TRP H H 1 8.436 0.01 . 1 . . . . 148 TRP H . 19819 2 827 . 1 1 148 148 TRP HA H 1 4.715 0.01 . 1 . . . . 148 TRP HA . 19819 2 828 . 1 1 148 148 TRP C C 13 176.28 0.01 . 1 . . . . 148 TRP C . 19819 2 829 . 1 1 148 148 TRP CA C 13 60.13 0.01 . 1 . . . . 148 TRP CA . 19819 2 830 . 1 1 148 148 TRP CB C 13 30.79 0.01 . 1 . . . . 148 TRP CB . 19819 2 831 . 1 1 148 148 TRP N N 15 122.12 0.01 . 1 . . . . 148 TRP N . 19819 2 832 . 1 1 149 149 ASP H H 1 7.994 0.01 . 1 . . . . 149 ASP H . 19819 2 833 . 1 1 149 149 ASP HA H 1 4.886 0.01 . 1 . . . . 149 ASP HA . 19819 2 834 . 1 1 149 149 ASP C C 13 176.84 0.01 . 1 . . . . 149 ASP C . 19819 2 835 . 1 1 149 149 ASP CA C 13 55.10 0.01 . 1 . . . . 149 ASP CA . 19819 2 836 . 1 1 149 149 ASP CB C 13 41.60 0.01 . 1 . . . . 149 ASP CB . 19819 2 837 . 1 1 149 149 ASP N N 15 120.31 0.01 . 1 . . . . 149 ASP N . 19819 2 838 . 1 1 150 150 GLY H H 1 8.391 0.01 . 1 . . . . 150 GLY H . 19819 2 839 . 1 1 150 150 GLY HA2 H 1 4.265 0.01 . 2 . . . . 150 GLY HA2 . 19819 2 840 . 1 1 150 150 GLY HA3 H 1 4.085 0.01 . 2 . . . . 150 GLY HA3 . 19819 2 841 . 1 1 150 150 GLY C C 13 173.78 0.01 . 1 . . . . 150 GLY C . 19819 2 842 . 1 1 150 150 GLY CA C 13 45.66 0.01 . 1 . . . . 150 GLY CA . 19819 2 843 . 1 1 150 150 GLY N N 15 109.33 0.01 . 1 . . . . 150 GLY N . 19819 2 844 . 1 1 151 151 GLU H H 1 8.220 0.01 . 1 . . . . 151 GLU H . 19819 2 845 . 1 1 151 151 GLU HA H 1 4.260 0.01 . 1 . . . . 151 GLU HA . 19819 2 846 . 1 1 151 151 GLU C C 13 181.72 0.01 . 1 . . . . 151 GLU C . 19819 2 847 . 1 1 151 151 GLU CA C 13 58.55 0.01 . 1 . . . . 151 GLU CA . 19819 2 848 . 1 1 151 151 GLU CB C 13 31.36 0.01 . 1 . . . . 151 GLU CB . 19819 2 849 . 1 1 151 151 GLU N N 15 126.16 0.01 . 1 . . . . 151 GLU N . 19819 2 stop_ save_