data_18344 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18344 _Entry.Title ; Gal-GalNac-Interferon Alpha-2a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-21 _Entry.Accession_date 2012-03-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Interferon Alpha-2a, where Thr106 is glycosylated with a 2-unit saccharide moiety, a Gal-GalNac.' _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 Houman Ghasriani . . . 18344 2 Pascal Belcourt . 'J. F.' . 18344 3 Simon Sauve . . . 18344 4 Derek Hodgson . J. . 18344 5 Genevieve Gingras . . . 18344 6 Denis Brochu . . . 18344 7 Michel Gilbert . . . 18344 8 Yves Aubin . . . 18344 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18344 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 487 18344 '15N chemical shifts' 177 18344 '1H chemical shifts' 192 18344 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-03-25 2012-03-21 update BMRB 'update entry citation' 18344 1 . . 2013-01-03 2012-03-21 original author 'original release' 18344 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18135 'Interferon Alpha-2A, with GalNac at Thr106.' 18344 PDB 2LMS 'Interferon Alpha-2A, with GalNac at Thr106.' 18344 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18344 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23184955 _Citation.Full_citation . _Citation.Title 'A single N-acetylgalactosamine residue at threonine 106 modifies the dynamics and structure of interferon 2a around the glycosylation site.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 288 _Citation.Journal_issue 1 _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 247 _Citation.Page_last 254 _Citation.Year 2013 _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 Houman Ghasriani . . . 18344 1 2 Pascal Belcourt . J.F. . 18344 1 3 Simon Sauve . . . 18344 1 4 Derek Hodgson . J. . 18344 1 5 Denis Brochu . . . 18344 1 6 Michel Gilbert . . . 18344 1 7 Yves Aubin . . . 18344 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CYTOKINE 18344 1 DYNAMICS 18344 1 GLYCOPROTEIN 18344 1 INTERFERON 18344 1 NMR 18344 1 O-GLYCOSYLATION 18344 1 'SIGNALING PROTEIN' 18344 1 STRUCTURE 18344 1 'TYPE I INTERFERONS' 18344 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18344 _Assembly.ID 1 _Assembly.Name assembly _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 Entity_1 1 $ggIFN_alpha-2a A . yes native no no . . . 18344 1 2 GalGalNac 2 $ligand B . no native no no . . . 18344 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 ggIFN_alpha-2a 1 CYS 29 29 SG . 1 ggIFN_alpha-2a 1 CYS 138 138 SG . . . . . . . . . . 18344 1 2 disulfide single . 1 ggIFN_alpha-2a 1 CYS 1 1 SG . 1 ggIFN_alpha-2a 1 CYS 98 98 SG . . . . . . . . . . 18344 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ggIFN_alpha-2a _Entity.Sf_category entity _Entity.Sf_framecode ggIFN_alpha-2a _Entity.Entry_ID 18344 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ggIFN_alpha-2a _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 ; CDLPQTHSLGSRRTLMLLAQ MRKISLFSCLKDRHDFGFPQ EEFGNQFQKAETIPVLHEMI QQIFNLFSTKDSSAAWDETL LDKFYTELYQQLNDLEACVI QGVGVTETPLMKEDSILAVR KYFQRITLYLKEKKYSPCAW EVVRAEIMRSFSLSTNLQES LRSKE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 165 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 . _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 16677 . entity_1 . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 18344 1 2 no BMRB 18135 . Interferon_Alpha-2a . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 18344 1 3 no BMRB 4081 . Interferon_alpha-2a . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 18344 1 4 no PDB 1ITF . "Interferon Alpha-2a, Nmr, 24 Structures" . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 18344 1 5 no PDB 1RH2 . "Recombinant Human Interferon-Alpha 2b" . . . . . 100.00 165 98.79 99.39 6.00e-117 . . . . 18344 1 6 no PDB 2HYM . "Nmr Based Docking Model Of The Complex Between The Human Type I Interferon Receptor And Human Interferon Alpha-2" . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 18344 1 7 no PDB 2KZ1 . "Inter-Molecular Interactions In A 44 Kda Interferon-Receptor Complex Detected By Asymmetric Back-Protonation And 2d Noesy" . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 18344 1 8 no PDB 2LAG . "Structure Of The 44 Kda Complex Of Interferon-Alpha2 With The Extracellular Part Of Ifnar2 Obtained By 2d-Double Difference Noe" . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 18344 1 9 no PDB 2LMS . "A Single Galnac Residue On Threonine-106 Modifies The Dynamics And The Structure Of Interferon Alpha-2a Around The Glycosylatio" . . . . . 100.00 166 100.00 100.00 4.76e-118 . . . . 18344 1 10 no PDB 3S9D . "Binary Complex Between Ifna2 And Ifnar2" . . . . . 100.00 168 97.58 98.18 1.32e-114 . . . . 18344 1 11 no PDB 3SE3 . "Human Ifna2-ifnar Ternary Complex" . . . . . 100.00 166 97.58 98.79 2.61e-115 . . . . 18344 1 12 no PDB 4YPG . "Structural Insights Into The Neutralization Properties Of A Human Anti-interferon Monoclonal Antibody" . . . . . 96.36 161 100.00 100.00 6.24e-114 . . . . 18344 1 13 no PDB 4Z5R . "Rontalizumab Fab Bound To Interferon-a2" . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 18344 1 14 no DBJ BAJ20902 . "interferon, alpha 2 [synthetic construct]" . . . . . 100.00 188 99.39 100.00 8.72e-118 . . . . 18344 1 15 no EMBL CAA23805 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 188 100.00 100.00 3.23e-118 . . . . 18344 1 16 no EMBL CAA23809 . "interferon alpha-2 precursor [Homo sapiens]" . . . . . 100.00 182 99.39 100.00 1.28e-117 . . . . 18344 1 17 no EMBL CAA23810 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 188 100.00 100.00 3.23e-118 . . . . 18344 1 18 no EMBL CAA25770 . "unnamed protein product [synthetic construct]" . . . . . 100.00 166 99.39 100.00 1.36e-117 . . . . 18344 1 19 no EMBL CAA46954 . "leukocytic interferon alpha-2 [synthetic construct]" . . . . . 100.00 166 99.39 100.00 1.36e-117 . . . . 18344 1 20 no GB AAA52715 . "alpha 2 interferon, partial [Homo sapiens]" . . . . . 100.00 165 99.39 100.00 1.34e-117 . . . . 18344 1 21 no GB AAA59181 . "interferon [Homo sapiens]" . . . . . 100.00 188 100.00 100.00 3.23e-118 . . . . 18344 1 22 no GB AAB59402 . "interferon alpha-a [Homo sapiens]" . . . . . 100.00 188 99.39 100.00 8.72e-118 . . . . 18344 1 23 no GB AAC64915 . "interferon alpha 2b- 44LQ [synthetic construct]" . . . . . 100.00 165 98.18 98.79 5.13e-115 . . . . 18344 1 24 no GB AAH74936 . "Interferon, alpha 2 [Homo sapiens]" . . . . . 100.00 188 99.39 100.00 8.72e-118 . . . . 18344 1 25 no PRF 0611561A . interferon . . . . . 100.00 188 100.00 100.00 3.23e-118 . . . . 18344 1 26 no PRF 0906342A . "interferon C term modified" . . . . . 93.33 164 100.00 100.00 1.17e-109 . . . . 18344 1 27 no REF NP_000596 . "interferon alpha-2 precursor [Homo sapiens]" . . . . . 100.00 188 99.39 100.00 8.72e-118 . . . . 18344 1 28 no REF XP_003830724 . "PREDICTED: interferon alpha-2 [Pan paniscus]" . . . . . 100.00 188 98.18 100.00 1.04e-116 . . . . 18344 1 29 no REF XP_004047919 . "PREDICTED: interferon alpha-2 [Gorilla gorilla gorilla]" . . . . . 100.00 188 98.18 100.00 1.40e-116 . . . . 18344 1 30 no REF XP_528568 . "PREDICTED: interferon alpha-2 [Pan troglodytes]" . . . . . 100.00 188 98.18 100.00 1.04e-116 . . . . 18344 1 31 no SP P01563 . "RecName: Full=Interferon alpha-2; Short=IFN-alpha-2; AltName: Full=Interferon alpha-A; Short=LeIF A; Flags: Precursor" . . . . . 100.00 188 100.00 100.00 3.23e-118 . . . . 18344 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 . CYS . 18344 1 2 . ASP . 18344 1 3 . LEU . 18344 1 4 . PRO . 18344 1 5 . GLN . 18344 1 6 . THR . 18344 1 7 . HIS . 18344 1 8 . SER . 18344 1 9 . LEU . 18344 1 10 . GLY . 18344 1 11 . SER . 18344 1 12 . ARG . 18344 1 13 . ARG . 18344 1 14 . THR . 18344 1 15 . LEU . 18344 1 16 . MET . 18344 1 17 . LEU . 18344 1 18 . LEU . 18344 1 19 . ALA . 18344 1 20 . GLN . 18344 1 21 . MET . 18344 1 22 . ARG . 18344 1 23 . LYS . 18344 1 24 . ILE . 18344 1 25 . SER . 18344 1 26 . LEU . 18344 1 27 . PHE . 18344 1 28 . SER . 18344 1 29 . CYS . 18344 1 30 . LEU . 18344 1 31 . LYS . 18344 1 32 . ASP . 18344 1 33 . ARG . 18344 1 34 . HIS . 18344 1 35 . ASP . 18344 1 36 . PHE . 18344 1 37 . GLY . 18344 1 38 . PHE . 18344 1 39 . PRO . 18344 1 40 . GLN . 18344 1 41 . GLU . 18344 1 42 . GLU . 18344 1 43 . PHE . 18344 1 44 . GLY . 18344 1 45 . ASN . 18344 1 46 . GLN . 18344 1 47 . PHE . 18344 1 48 . GLN . 18344 1 49 . LYS . 18344 1 50 . ALA . 18344 1 51 . GLU . 18344 1 52 . THR . 18344 1 53 . ILE . 18344 1 54 . PRO . 18344 1 55 . VAL . 18344 1 56 . LEU . 18344 1 57 . HIS . 18344 1 58 . GLU . 18344 1 59 . MET . 18344 1 60 . ILE . 18344 1 61 . GLN . 18344 1 62 . GLN . 18344 1 63 . ILE . 18344 1 64 . PHE . 18344 1 65 . ASN . 18344 1 66 . LEU . 18344 1 67 . PHE . 18344 1 68 . SER . 18344 1 69 . THR . 18344 1 70 . LYS . 18344 1 71 . ASP . 18344 1 72 . SER . 18344 1 73 . SER . 18344 1 74 . ALA . 18344 1 75 . ALA . 18344 1 76 . TRP . 18344 1 77 . ASP . 18344 1 78 . GLU . 18344 1 79 . THR . 18344 1 80 . LEU . 18344 1 81 . LEU . 18344 1 82 . ASP . 18344 1 83 . LYS . 18344 1 84 . PHE . 18344 1 85 . TYR . 18344 1 86 . THR . 18344 1 87 . GLU . 18344 1 88 . LEU . 18344 1 89 . TYR . 18344 1 90 . GLN . 18344 1 91 . GLN . 18344 1 92 . LEU . 18344 1 93 . ASN . 18344 1 94 . ASP . 18344 1 95 . LEU . 18344 1 96 . GLU . 18344 1 97 . ALA . 18344 1 98 . CYS . 18344 1 99 . VAL . 18344 1 100 . ILE . 18344 1 101 . GLN . 18344 1 102 . GLY . 18344 1 103 . VAL . 18344 1 104 . GLY . 18344 1 105 . VAL . 18344 1 106 . THR . 18344 1 107 . GLU . 18344 1 108 . THR . 18344 1 109 . PRO . 18344 1 110 . LEU . 18344 1 111 . MET . 18344 1 112 . LYS . 18344 1 113 . GLU . 18344 1 114 . ASP . 18344 1 115 . SER . 18344 1 116 . ILE . 18344 1 117 . LEU . 18344 1 118 . ALA . 18344 1 119 . VAL . 18344 1 120 . ARG . 18344 1 121 . LYS . 18344 1 122 . TYR . 18344 1 123 . PHE . 18344 1 124 . GLN . 18344 1 125 . ARG . 18344 1 126 . ILE . 18344 1 127 . THR . 18344 1 128 . LEU . 18344 1 129 . TYR . 18344 1 130 . LEU . 18344 1 131 . LYS . 18344 1 132 . GLU . 18344 1 133 . LYS . 18344 1 134 . LYS . 18344 1 135 . TYR . 18344 1 136 . SER . 18344 1 137 . PRO . 18344 1 138 . CYS . 18344 1 139 . ALA . 18344 1 140 . TRP . 18344 1 141 . GLU . 18344 1 142 . VAL . 18344 1 143 . VAL . 18344 1 144 . ARG . 18344 1 145 . ALA . 18344 1 146 . GLU . 18344 1 147 . ILE . 18344 1 148 . MET . 18344 1 149 . ARG . 18344 1 150 . SER . 18344 1 151 . PHE . 18344 1 152 . SER . 18344 1 153 . LEU . 18344 1 154 . SER . 18344 1 155 . THR . 18344 1 156 . ASN . 18344 1 157 . LEU . 18344 1 158 . GLN . 18344 1 159 . GLU . 18344 1 160 . SER . 18344 1 161 . LEU . 18344 1 162 . ARG . 18344 1 163 . SER . 18344 1 164 . LYS . 18344 1 165 . GLU . 18344 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 . CYS 1 1 18344 1 . ASP 2 2 18344 1 . LEU 3 3 18344 1 . PRO 4 4 18344 1 . GLN 5 5 18344 1 . THR 6 6 18344 1 . HIS 7 7 18344 1 . SER 8 8 18344 1 . LEU 9 9 18344 1 . GLY 10 10 18344 1 . SER 11 11 18344 1 . ARG 12 12 18344 1 . ARG 13 13 18344 1 . THR 14 14 18344 1 . LEU 15 15 18344 1 . MET 16 16 18344 1 . LEU 17 17 18344 1 . LEU 18 18 18344 1 . ALA 19 19 18344 1 . GLN 20 20 18344 1 . MET 21 21 18344 1 . ARG 22 22 18344 1 . LYS 23 23 18344 1 . ILE 24 24 18344 1 . SER 25 25 18344 1 . LEU 26 26 18344 1 . PHE 27 27 18344 1 . SER 28 28 18344 1 . CYS 29 29 18344 1 . LEU 30 30 18344 1 . LYS 31 31 18344 1 . ASP 32 32 18344 1 . ARG 33 33 18344 1 . HIS 34 34 18344 1 . ASP 35 35 18344 1 . PHE 36 36 18344 1 . GLY 37 37 18344 1 . PHE 38 38 18344 1 . PRO 39 39 18344 1 . GLN 40 40 18344 1 . GLU 41 41 18344 1 . GLU 42 42 18344 1 . PHE 43 43 18344 1 . GLY 44 44 18344 1 . ASN 45 45 18344 1 . GLN 46 46 18344 1 . PHE 47 47 18344 1 . GLN 48 48 18344 1 . LYS 49 49 18344 1 . ALA 50 50 18344 1 . GLU 51 51 18344 1 . THR 52 52 18344 1 . ILE 53 53 18344 1 . PRO 54 54 18344 1 . VAL 55 55 18344 1 . LEU 56 56 18344 1 . HIS 57 57 18344 1 . GLU 58 58 18344 1 . MET 59 59 18344 1 . ILE 60 60 18344 1 . GLN 61 61 18344 1 . GLN 62 62 18344 1 . ILE 63 63 18344 1 . PHE 64 64 18344 1 . ASN 65 65 18344 1 . LEU 66 66 18344 1 . PHE 67 67 18344 1 . SER 68 68 18344 1 . THR 69 69 18344 1 . LYS 70 70 18344 1 . ASP 71 71 18344 1 . SER 72 72 18344 1 . SER 73 73 18344 1 . ALA 74 74 18344 1 . ALA 75 75 18344 1 . TRP 76 76 18344 1 . ASP 77 77 18344 1 . GLU 78 78 18344 1 . THR 79 79 18344 1 . LEU 80 80 18344 1 . LEU 81 81 18344 1 . ASP 82 82 18344 1 . LYS 83 83 18344 1 . PHE 84 84 18344 1 . TYR 85 85 18344 1 . THR 86 86 18344 1 . GLU 87 87 18344 1 . LEU 88 88 18344 1 . TYR 89 89 18344 1 . GLN 90 90 18344 1 . GLN 91 91 18344 1 . LEU 92 92 18344 1 . ASN 93 93 18344 1 . ASP 94 94 18344 1 . LEU 95 95 18344 1 . GLU 96 96 18344 1 . ALA 97 97 18344 1 . CYS 98 98 18344 1 . VAL 99 99 18344 1 . ILE 100 100 18344 1 . GLN 101 101 18344 1 . GLY 102 102 18344 1 . VAL 103 103 18344 1 . GLY 104 104 18344 1 . VAL 105 105 18344 1 . THR 106 106 18344 1 . GLU 107 107 18344 1 . THR 108 108 18344 1 . PRO 109 109 18344 1 . LEU 110 110 18344 1 . MET 111 111 18344 1 . LYS 112 112 18344 1 . GLU 113 113 18344 1 . ASP 114 114 18344 1 . SER 115 115 18344 1 . ILE 116 116 18344 1 . LEU 117 117 18344 1 . ALA 118 118 18344 1 . VAL 119 119 18344 1 . ARG 120 120 18344 1 . LYS 121 121 18344 1 . TYR 122 122 18344 1 . PHE 123 123 18344 1 . GLN 124 124 18344 1 . ARG 125 125 18344 1 . ILE 126 126 18344 1 . THR 127 127 18344 1 . LEU 128 128 18344 1 . TYR 129 129 18344 1 . LEU 130 130 18344 1 . LYS 131 131 18344 1 . GLU 132 132 18344 1 . LYS 133 133 18344 1 . LYS 134 134 18344 1 . TYR 135 135 18344 1 . SER 136 136 18344 1 . PRO 137 137 18344 1 . CYS 138 138 18344 1 . ALA 139 139 18344 1 . TRP 140 140 18344 1 . GLU 141 141 18344 1 . VAL 142 142 18344 1 . VAL 143 143 18344 1 . ARG 144 144 18344 1 . ALA 145 145 18344 1 . GLU 146 146 18344 1 . ILE 147 147 18344 1 . MET 148 148 18344 1 . ARG 149 149 18344 1 . SER 150 150 18344 1 . PHE 151 151 18344 1 . SER 152 152 18344 1 . LEU 153 153 18344 1 . SER 154 154 18344 1 . THR 155 155 18344 1 . ASN 156 156 18344 1 . LEU 157 157 18344 1 . GLN 158 158 18344 1 . GLU 159 159 18344 1 . SER 160 160 18344 1 . LEU 161 161 18344 1 . ARG 162 162 18344 1 . SER 163 163 18344 1 . LYS 164 164 18344 1 . GLU 165 165 18344 1 stop_ save_ save_ligand _Entity.Sf_category entity _Entity.Sf_framecode ligand _Entity.Entry_ID 18344 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name D-Gal-beta(1-3)GalNAc-alpha-Thr _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _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 . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 18344 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ggIFN_alpha-2a . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18344 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 18344 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ggIFN_alpha-2a . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET-15b . . . 'The N-terminal His-tag of the protein (10 Histidines) was cleaved and removed before glycosylation and prior to NMR experiments.' . . 18344 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_D-Gal-beta(1-3)GalNAc-alpha-Thr _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_D-Gal-beta(1-3)GalNAc-alpha-Thr _Chem_comp.Entry_ID 18344 _Chem_comp.ID 1 _Chem_comp.Provenance . _Chem_comp.Name D-Gal-beta(1-3)GalNAc-alpha-Thr _Chem_comp.Type . _Chem_comp.BMRB_code . _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 . _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula . _Chem_comp.Formula_weight . _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 gal-beta-1-3-galnac-alpha-THR.gif _Chem_comp.Image_file_format gif _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; O-Glycosylated Thr106. The OG1 of Thr106 is covalently attached to D-Gal-beta(1-3)GalNAc via the C1 of GalNAc (N-Acetyl-D-Galactosamine) in axial form (alpha anomer). ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18344 _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 'ggIFN alpha-2a' '[U-100% 13C; U-100% 15N]' . . 1 $ggIFN_alpha-2a . . 0.85 . . mM . . . . 18344 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18344 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18344 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 18344 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Buffer: 25mM deuturated sodium acetate (NaOAc, d3) at pH 3.5.' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 18344 1 pH 3.5 . pH 18344 1 pressure 1 . atm 18344 1 temperature 298 . K 18344 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18344 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18344 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18344 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 18344 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18344 _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 . 600 . . . 18344 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 18344 _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 . . . . . . . . . . . . . . . . 18344 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18344 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18344 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18344 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18344 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18344 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 18344 _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 . . . . . . . . . 18344 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 18344 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18344 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 18344 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18344 1 2 '3D HNCO' . . . 18344 1 3 '3D HN(CA)CO' . . . 18344 1 4 '3D HNCA' . . . 18344 1 5 '3D CBCA(CO)NH' . . . 18344 1 6 '3D HNCACB' . . . 18344 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 1 1 CYS H H 1 8.926 0.020 . 1 . . . . 1 CYS H . 18344 1 2 . 1 1 1 1 CYS C C 13 173.065 0.400 . 1 . . . . 1 CYS C . 18344 1 3 . 1 1 1 1 CYS CA C 13 55.284 0.400 . 1 . . . . 1 CYS CA . 18344 1 4 . 1 1 1 1 CYS CB C 13 41.087 0.400 . 1 . . . . 1 CYS CB . 18344 1 5 . 1 1 1 1 CYS N N 15 121.035 0.400 . 1 . . . . 1 CYS N . 18344 1 6 . 1 1 2 2 ASP H H 1 8.787 0.020 . 1 . . . . 2 ASP H . 18344 1 7 . 1 1 2 2 ASP C C 13 174.767 0.400 . 1 . . . . 2 ASP C . 18344 1 8 . 1 1 2 2 ASP CA C 13 52.238 0.400 . 1 . . . . 2 ASP CA . 18344 1 9 . 1 1 2 2 ASP CB C 13 38.956 0.400 . 1 . . . . 2 ASP CB . 18344 1 10 . 1 1 2 2 ASP N N 15 125.390 0.400 . 1 . . . . 2 ASP N . 18344 1 11 . 1 1 3 3 LEU H H 1 8.162 0.020 . 1 . . . . 3 LEU H . 18344 1 12 . 1 1 3 3 LEU C C 13 175.391 0.400 . 1 . . . . 3 LEU C . 18344 1 13 . 1 1 3 3 LEU CA C 13 53.803 0.400 . 1 . . . . 3 LEU CA . 18344 1 14 . 1 1 3 3 LEU CB C 13 40.634 0.400 . 1 . . . . 3 LEU CB . 18344 1 15 . 1 1 3 3 LEU N N 15 123.792 0.400 . 1 . . . . 3 LEU N . 18344 1 16 . 1 1 4 4 PRO C C 13 176.174 0.400 . 1 . . . . 4 PRO C . 18344 1 17 . 1 1 4 4 PRO CA C 13 62.155 0.400 . 1 . . . . 4 PRO CA . 18344 1 18 . 1 1 4 4 PRO CB C 13 34.025 0.400 . 1 . . . . 4 PRO CB . 18344 1 19 . 1 1 5 5 GLN H H 1 8.772 0.020 . 1 . . . . 5 GLN H . 18344 1 20 . 1 1 5 5 GLN HE21 H 1 6.849 0.020 . 2 . . . . 5 GLN HE21 . 18344 1 21 . 1 1 5 5 GLN HE22 H 1 6.217 0.020 . 2 . . . . 5 GLN HE22 . 18344 1 22 . 1 1 5 5 GLN C C 13 176.368 0.400 . 1 . . . . 5 GLN C . 18344 1 23 . 1 1 5 5 GLN CA C 13 55.800 0.400 . 1 . . . . 5 GLN CA . 18344 1 24 . 1 1 5 5 GLN CB C 13 28.950 0.400 . 1 . . . . 5 GLN CB . 18344 1 25 . 1 1 5 5 GLN N N 15 121.463 0.400 . 1 . . . . 5 GLN N . 18344 1 26 . 1 1 5 5 GLN NE2 N 15 107.971 0.400 . 1 . . . . 5 GLN NE2 . 18344 1 27 . 1 1 6 6 THR H H 1 7.879 0.020 . 1 . . . . 6 THR H . 18344 1 28 . 1 1 6 6 THR C C 13 174.727 0.400 . 1 . . . . 6 THR C . 18344 1 29 . 1 1 6 6 THR CA C 13 62.198 0.400 . 1 . . . . 6 THR CA . 18344 1 30 . 1 1 6 6 THR CB C 13 68.702 0.400 . 1 . . . . 6 THR CB . 18344 1 31 . 1 1 6 6 THR N N 15 111.416 0.400 . 1 . . . . 6 THR N . 18344 1 32 . 1 1 7 7 HIS H H 1 8.595 0.020 . 1 . . . . 7 HIS H . 18344 1 33 . 1 1 7 7 HIS C C 13 175.070 0.400 . 1 . . . . 7 HIS C . 18344 1 34 . 1 1 7 7 HIS CA C 13 55.784 0.400 . 1 . . . . 7 HIS CA . 18344 1 35 . 1 1 7 7 HIS CB C 13 27.614 0.400 . 1 . . . . 7 HIS CB . 18344 1 36 . 1 1 7 7 HIS N N 15 119.065 0.400 . 1 . . . . 7 HIS N . 18344 1 37 . 1 1 8 8 SER H H 1 8.187 0.020 . 1 . . . . 8 SER H . 18344 1 38 . 1 1 8 8 SER C C 13 175.378 0.400 . 1 . . . . 8 SER C . 18344 1 39 . 1 1 8 8 SER CA C 13 58.660 0.400 . 1 . . . . 8 SER CA . 18344 1 40 . 1 1 8 8 SER CB C 13 63.263 0.400 . 1 . . . . 8 SER CB . 18344 1 41 . 1 1 8 8 SER N N 15 115.697 0.400 . 1 . . . . 8 SER N . 18344 1 42 . 1 1 9 9 LEU H H 1 8.415 0.020 . 1 . . . . 9 LEU H . 18344 1 43 . 1 1 9 9 LEU C C 13 178.606 0.400 . 1 . . . . 9 LEU C . 18344 1 44 . 1 1 9 9 LEU CA C 13 56.489 0.400 . 1 . . . . 9 LEU CA . 18344 1 45 . 1 1 9 9 LEU CB C 13 41.164 0.400 . 1 . . . . 9 LEU CB . 18344 1 46 . 1 1 9 9 LEU N N 15 123.751 0.400 . 1 . . . . 9 LEU N . 18344 1 47 . 1 1 10 10 GLY H H 1 8.453 0.020 . 1 . . . . 10 GLY H . 18344 1 48 . 1 1 10 10 GLY C C 13 176.428 0.400 . 1 . . . . 10 GLY C . 18344 1 49 . 1 1 10 10 GLY CA C 13 46.285 0.400 . 1 . . . . 10 GLY CA . 18344 1 50 . 1 1 10 10 GLY N N 15 107.445 0.400 . 1 . . . . 10 GLY N . 18344 1 51 . 1 1 11 11 SER H H 1 8.253 0.020 . 1 . . . . 11 SER H . 18344 1 52 . 1 1 11 11 SER C C 13 175.704 0.400 . 1 . . . . 11 SER C . 18344 1 53 . 1 1 11 11 SER CA C 13 60.634 0.400 . 1 . . . . 11 SER CA . 18344 1 54 . 1 1 11 11 SER CB C 13 62.391 0.400 . 1 . . . . 11 SER CB . 18344 1 55 . 1 1 11 11 SER N N 15 118.700 0.400 . 1 . . . . 11 SER N . 18344 1 56 . 1 1 12 12 ARG H H 1 8.020 0.020 . 1 . . . . 12 ARG H . 18344 1 57 . 1 1 12 12 ARG C C 13 179.066 0.400 . 1 . . . . 12 ARG C . 18344 1 58 . 1 1 12 12 ARG CA C 13 59.101 0.400 . 1 . . . . 12 ARG CA . 18344 1 59 . 1 1 12 12 ARG CB C 13 29.206 0.400 . 1 . . . . 12 ARG CB . 18344 1 60 . 1 1 12 12 ARG N N 15 121.947 0.400 . 1 . . . . 12 ARG N . 18344 1 61 . 1 1 13 13 ARG H H 1 8.482 0.020 . 1 . . . . 13 ARG H . 18344 1 62 . 1 1 13 13 ARG C C 13 178.494 0.400 . 1 . . . . 13 ARG C . 18344 1 63 . 1 1 13 13 ARG CA C 13 59.111 0.400 . 1 . . . . 13 ARG CA . 18344 1 64 . 1 1 13 13 ARG CB C 13 29.180 0.400 . 1 . . . . 13 ARG CB . 18344 1 65 . 1 1 13 13 ARG N N 15 119.397 0.400 . 1 . . . . 13 ARG N . 18344 1 66 . 1 1 14 14 THR H H 1 7.952 0.020 . 1 . . . . 14 THR H . 18344 1 67 . 1 1 14 14 THR C C 13 175.617 0.400 . 1 . . . . 14 THR C . 18344 1 68 . 1 1 14 14 THR CA C 13 67.512 0.400 . 1 . . . . 14 THR CA . 18344 1 69 . 1 1 14 14 THR CB C 13 67.027 0.400 . 1 . . . . 14 THR CB . 18344 1 70 . 1 1 14 14 THR N N 15 116.679 0.400 . 1 . . . . 14 THR N . 18344 1 71 . 1 1 15 15 LEU H H 1 7.564 0.020 . 1 . . . . 15 LEU H . 18344 1 72 . 1 1 15 15 LEU C C 13 178.637 0.400 . 1 . . . . 15 LEU C . 18344 1 73 . 1 1 15 15 LEU CA C 13 57.530 0.400 . 1 . . . . 15 LEU CA . 18344 1 74 . 1 1 15 15 LEU CB C 13 41.174 0.400 . 1 . . . . 15 LEU CB . 18344 1 75 . 1 1 15 15 LEU N N 15 120.053 0.400 . 1 . . . . 15 LEU N . 18344 1 76 . 1 1 16 16 MET H H 1 8.003 0.020 . 1 . . . . 16 MET H . 18344 1 77 . 1 1 16 16 MET C C 13 178.733 0.400 . 1 . . . . 16 MET C . 18344 1 78 . 1 1 16 16 MET CA C 13 57.999 0.400 . 1 . . . . 16 MET CA . 18344 1 79 . 1 1 16 16 MET CB C 13 31.891 0.400 . 1 . . . . 16 MET CB . 18344 1 80 . 1 1 16 16 MET N N 15 118.642 0.400 . 1 . . . . 16 MET N . 18344 1 81 . 1 1 17 17 LEU H H 1 7.837 0.020 . 1 . . . . 17 LEU H . 18344 1 82 . 1 1 17 17 LEU C C 13 178.241 0.400 . 1 . . . . 17 LEU C . 18344 1 83 . 1 1 17 17 LEU CA C 13 57.589 0.400 . 1 . . . . 17 LEU CA . 18344 1 84 . 1 1 17 17 LEU CB C 13 41.690 0.400 . 1 . . . . 17 LEU CB . 18344 1 85 . 1 1 17 17 LEU N N 15 120.640 0.400 . 1 . . . . 17 LEU N . 18344 1 86 . 1 1 18 18 LEU H H 1 7.501 0.020 . 1 . . . . 18 LEU H . 18344 1 87 . 1 1 18 18 LEU C C 13 180.306 0.400 . 1 . . . . 18 LEU C . 18344 1 88 . 1 1 18 18 LEU CA C 13 57.173 0.400 . 1 . . . . 18 LEU CA . 18344 1 89 . 1 1 18 18 LEU CB C 13 41.721 0.400 . 1 . . . . 18 LEU CB . 18344 1 90 . 1 1 18 18 LEU N N 15 118.140 0.400 . 1 . . . . 18 LEU N . 18344 1 91 . 1 1 19 19 ALA H H 1 7.967 0.020 . 1 . . . . 19 ALA H . 18344 1 92 . 1 1 19 19 ALA C C 13 180.742 0.400 . 1 . . . . 19 ALA C . 18344 1 93 . 1 1 19 19 ALA CA C 13 54.603 0.400 . 1 . . . . 19 ALA CA . 18344 1 94 . 1 1 19 19 ALA CB C 13 17.398 0.400 . 1 . . . . 19 ALA CB . 18344 1 95 . 1 1 19 19 ALA N N 15 121.850 0.400 . 1 . . . . 19 ALA N . 18344 1 96 . 1 1 20 20 GLN H H 1 7.975 0.020 . 1 . . . . 20 GLN H . 18344 1 97 . 1 1 20 20 GLN HE21 H 1 7.192 0.020 . 2 . . . . 20 GLN HE21 . 18344 1 98 . 1 1 20 20 GLN HE22 H 1 6.477 0.020 . 2 . . . . 20 GLN HE22 . 18344 1 99 . 1 1 20 20 GLN C C 13 176.954 0.400 . 1 . . . . 20 GLN C . 18344 1 100 . 1 1 20 20 GLN CA C 13 57.370 0.400 . 1 . . . . 20 GLN CA . 18344 1 101 . 1 1 20 20 GLN CB C 13 28.381 0.400 . 1 . . . . 20 GLN CB . 18344 1 102 . 1 1 20 20 GLN N N 15 118.557 0.400 . 1 . . . . 20 GLN N . 18344 1 103 . 1 1 20 20 GLN NE2 N 15 109.050 0.400 . 1 . . . . 20 GLN NE2 . 18344 1 104 . 1 1 21 21 MET H H 1 7.426 0.020 . 1 . . . . 21 MET H . 18344 1 105 . 1 1 21 21 MET C C 13 174.778 0.400 . 1 . . . . 21 MET C . 18344 1 106 . 1 1 21 21 MET CA C 13 56.649 0.400 . 1 . . . . 21 MET CA . 18344 1 107 . 1 1 21 21 MET CB C 13 33.359 0.400 . 1 . . . . 21 MET CB . 18344 1 108 . 1 1 21 21 MET N N 15 116.567 0.400 . 1 . . . . 21 MET N . 18344 1 109 . 1 1 22 22 ARG H H 1 6.497 0.020 . 1 . . . . 22 ARG H . 18344 1 110 . 1 1 22 22 ARG C C 13 175.949 0.400 . 1 . . . . 22 ARG C . 18344 1 111 . 1 1 22 22 ARG CA C 13 58.429 0.400 . 1 . . . . 22 ARG CA . 18344 1 112 . 1 1 22 22 ARG CB C 13 30.979 0.400 . 1 . . . . 22 ARG CB . 18344 1 113 . 1 1 22 22 ARG N N 15 115.328 0.400 . 1 . . . . 22 ARG N . 18344 1 114 . 1 1 23 23 LYS H H 1 10.218 0.020 . 1 . . . . 23 LYS H . 18344 1 115 . 1 1 23 23 LYS C C 13 176.654 0.400 . 1 . . . . 23 LYS C . 18344 1 116 . 1 1 23 23 LYS CA C 13 56.753 0.400 . 1 . . . . 23 LYS CA . 18344 1 117 . 1 1 23 23 LYS CB C 13 35.679 0.400 . 1 . . . . 23 LYS CB . 18344 1 118 . 1 1 23 23 LYS N N 15 128.349 0.400 . 1 . . . . 23 LYS N . 18344 1 119 . 1 1 24 24 ILE H H 1 8.472 0.020 . 1 . . . . 24 ILE H . 18344 1 120 . 1 1 24 24 ILE C C 13 173.910 0.400 . 1 . . . . 24 ILE C . 18344 1 121 . 1 1 24 24 ILE CA C 13 59.206 0.400 . 1 . . . . 24 ILE CA . 18344 1 122 . 1 1 24 24 ILE CB C 13 40.810 0.400 . 1 . . . . 24 ILE CB . 18344 1 123 . 1 1 24 24 ILE N N 15 118.439 0.400 . 1 . . . . 24 ILE N . 18344 1 124 . 1 1 25 25 SER H H 1 8.112 0.020 . 1 . . . . 25 SER H . 18344 1 125 . 1 1 25 25 SER C C 13 176.509 0.400 . 1 . . . . 25 SER C . 18344 1 126 . 1 1 25 25 SER CA C 13 56.241 0.400 . 1 . . . . 25 SER CA . 18344 1 127 . 1 1 25 25 SER CB C 13 63.751 0.400 . 1 . . . . 25 SER CB . 18344 1 128 . 1 1 25 25 SER N N 15 113.498 0.400 . 1 . . . . 25 SER N . 18344 1 129 . 1 1 26 26 LEU H H 1 8.809 0.020 . 1 . . . . 26 LEU H . 18344 1 130 . 1 1 26 26 LEU C C 13 178.924 0.400 . 1 . . . . 26 LEU C . 18344 1 131 . 1 1 26 26 LEU CA C 13 56.972 0.400 . 1 . . . . 26 LEU CA . 18344 1 132 . 1 1 26 26 LEU CB C 13 41.184 0.400 . 1 . . . . 26 LEU CB . 18344 1 133 . 1 1 26 26 LEU N N 15 127.532 0.400 . 1 . . . . 26 LEU N . 18344 1 134 . 1 1 27 27 PHE H H 1 7.993 0.020 . 1 . . . . 27 PHE H . 18344 1 135 . 1 1 27 27 PHE C C 13 177.141 0.400 . 1 . . . . 27 PHE C . 18344 1 136 . 1 1 27 27 PHE CA C 13 59.478 0.400 . 1 . . . . 27 PHE CA . 18344 1 137 . 1 1 27 27 PHE CB C 13 37.511 0.400 . 1 . . . . 27 PHE CB . 18344 1 138 . 1 1 27 27 PHE N N 15 116.920 0.400 . 1 . . . . 27 PHE N . 18344 1 139 . 1 1 28 28 SER H H 1 7.936 0.020 . 1 . . . . 28 SER H . 18344 1 140 . 1 1 28 28 SER C C 13 174.543 0.400 . 1 . . . . 28 SER C . 18344 1 141 . 1 1 28 28 SER CA C 13 59.156 0.400 . 1 . . . . 28 SER CA . 18344 1 142 . 1 1 28 28 SER CB C 13 63.093 0.400 . 1 . . . . 28 SER CB . 18344 1 143 . 1 1 28 28 SER N N 15 115.031 0.400 . 1 . . . . 28 SER N . 18344 1 144 . 1 1 29 29 CYS H H 1 7.879 0.020 . 1 . . . . 29 CYS H . 18344 1 145 . 1 1 29 29 CYS C C 13 176.532 0.400 . 1 . . . . 29 CYS C . 18344 1 146 . 1 1 29 29 CYS CA C 13 52.672 0.400 . 1 . . . . 29 CYS CA . 18344 1 147 . 1 1 29 29 CYS CB C 13 36.558 0.400 . 1 . . . . 29 CYS CB . 18344 1 148 . 1 1 29 29 CYS N N 15 119.727 0.400 . 1 . . . . 29 CYS N . 18344 1 149 . 1 1 30 30 LEU H H 1 7.818 0.020 . 1 . . . . 30 LEU H . 18344 1 150 . 1 1 30 30 LEU C C 13 179.838 0.400 . 1 . . . . 30 LEU C . 18344 1 151 . 1 1 30 30 LEU CA C 13 57.682 0.400 . 1 . . . . 30 LEU CA . 18344 1 152 . 1 1 30 30 LEU CB C 13 40.940 0.400 . 1 . . . . 30 LEU CB . 18344 1 153 . 1 1 30 30 LEU N N 15 122.084 0.400 . 1 . . . . 30 LEU N . 18344 1 154 . 1 1 31 31 LYS H H 1 8.608 0.020 . 1 . . . . 31 LYS H . 18344 1 155 . 1 1 31 31 LYS C C 13 176.769 0.400 . 1 . . . . 31 LYS C . 18344 1 156 . 1 1 31 31 LYS CA C 13 57.442 0.400 . 1 . . . . 31 LYS CA . 18344 1 157 . 1 1 31 31 LYS CB C 13 31.032 0.400 . 1 . . . . 31 LYS CB . 18344 1 158 . 1 1 31 31 LYS N N 15 117.517 0.400 . 1 . . . . 31 LYS N . 18344 1 159 . 1 1 32 32 ASP H H 1 7.822 0.020 . 1 . . . . 32 ASP H . 18344 1 160 . 1 1 32 32 ASP C C 13 175.534 0.400 . 1 . . . . 32 ASP C . 18344 1 161 . 1 1 32 32 ASP CA C 13 53.502 0.400 . 1 . . . . 32 ASP CA . 18344 1 162 . 1 1 32 32 ASP CB C 13 41.059 0.400 . 1 . . . . 32 ASP CB . 18344 1 163 . 1 1 32 32 ASP N N 15 117.548 0.400 . 1 . . . . 32 ASP N . 18344 1 164 . 1 1 33 33 ARG H H 1 7.389 0.020 . 1 . . . . 33 ARG H . 18344 1 165 . 1 1 33 33 ARG C C 13 175.309 0.400 . 1 . . . . 33 ARG C . 18344 1 166 . 1 1 33 33 ARG CA C 13 57.315 0.400 . 1 . . . . 33 ARG CA . 18344 1 167 . 1 1 33 33 ARG CB C 13 29.649 0.400 . 1 . . . . 33 ARG CB . 18344 1 168 . 1 1 33 33 ARG N N 15 120.725 0.400 . 1 . . . . 33 ARG N . 18344 1 169 . 1 1 34 34 HIS H H 1 7.983 0.020 . 1 . . . . 34 HIS H . 18344 1 170 . 1 1 34 34 HIS C C 13 170.566 0.400 . 1 . . . . 34 HIS C . 18344 1 171 . 1 1 34 34 HIS CA C 13 54.650 0.400 . 1 . . . . 34 HIS CA . 18344 1 172 . 1 1 34 34 HIS CB C 13 30.994 0.400 . 1 . . . . 34 HIS CB . 18344 1 173 . 1 1 34 34 HIS N N 15 120.423 0.400 . 1 . . . . 34 HIS N . 18344 1 174 . 1 1 35 35 ASP H H 1 7.820 0.020 . 1 . . . . 35 ASP H . 18344 1 175 . 1 1 35 35 ASP C C 13 175.959 0.400 . 1 . . . . 35 ASP C . 18344 1 176 . 1 1 35 35 ASP CA C 13 51.760 0.400 . 1 . . . . 35 ASP CA . 18344 1 177 . 1 1 35 35 ASP CB C 13 40.235 0.400 . 1 . . . . 35 ASP CB . 18344 1 178 . 1 1 35 35 ASP N N 15 124.823 0.400 . 1 . . . . 35 ASP N . 18344 1 179 . 1 1 36 36 PHE H H 1 8.986 0.020 . 1 . . . . 36 PHE H . 18344 1 180 . 1 1 36 36 PHE C C 13 176.673 0.400 . 1 . . . . 36 PHE C . 18344 1 181 . 1 1 36 36 PHE CA C 13 59.049 0.400 . 1 . . . . 36 PHE CA . 18344 1 182 . 1 1 36 36 PHE CB C 13 40.272 0.400 . 1 . . . . 36 PHE CB . 18344 1 183 . 1 1 36 36 PHE N N 15 122.732 0.400 . 1 . . . . 36 PHE N . 18344 1 184 . 1 1 37 37 GLY H H 1 8.730 0.020 . 1 . . . . 37 GLY H . 18344 1 185 . 1 1 37 37 GLY C C 13 175.137 0.400 . 1 . . . . 37 GLY C . 18344 1 186 . 1 1 37 37 GLY CA C 13 47.601 0.400 . 1 . . . . 37 GLY CA . 18344 1 187 . 1 1 37 37 GLY N N 15 111.680 0.400 . 1 . . . . 37 GLY N . 18344 1 188 . 1 1 38 38 PHE H H 1 9.180 0.020 . 1 . . . . 38 PHE H . 18344 1 189 . 1 1 38 38 PHE C C 13 176.244 0.400 . 1 . . . . 38 PHE C . 18344 1 190 . 1 1 38 38 PHE CA C 13 55.111 0.400 . 1 . . . . 38 PHE CA . 18344 1 191 . 1 1 38 38 PHE CB C 13 38.055 0.400 . 1 . . . . 38 PHE CB . 18344 1 192 . 1 1 38 38 PHE N N 15 122.939 0.400 . 1 . . . . 38 PHE N . 18344 1 193 . 1 1 39 39 PRO C C 13 174.707 0.400 . 1 . . . . 39 PRO C . 18344 1 194 . 1 1 39 39 PRO CA C 13 61.079 0.400 . 1 . . . . 39 PRO CA . 18344 1 195 . 1 1 39 39 PRO CB C 13 27.754 0.400 . 1 . . . . 39 PRO CB . 18344 1 196 . 1 1 40 40 GLN H H 1 7.978 0.020 . 1 . . . . 40 GLN H . 18344 1 197 . 1 1 40 40 GLN HE21 H 1 6.807 0.020 . 2 . . . . 40 GLN HE21 . 18344 1 198 . 1 1 40 40 GLN HE22 H 1 7.587 0.020 . 2 . . . . 40 GLN HE22 . 18344 1 199 . 1 1 40 40 GLN C C 13 177.001 0.400 . 1 . . . . 40 GLN C . 18344 1 200 . 1 1 40 40 GLN CA C 13 57.650 0.400 . 1 . . . . 40 GLN CA . 18344 1 201 . 1 1 40 40 GLN CB C 13 28.266 0.400 . 1 . . . . 40 GLN CB . 18344 1 202 . 1 1 40 40 GLN N N 15 123.513 0.400 . 1 . . . . 40 GLN N . 18344 1 203 . 1 1 40 40 GLN NE2 N 15 111.465 0.400 . 1 . . . . 40 GLN NE2 . 18344 1 204 . 1 1 41 41 GLU H H 1 9.038 0.020 . 1 . . . . 41 GLU H . 18344 1 205 . 1 1 41 41 GLU C C 13 177.385 0.400 . 1 . . . . 41 GLU C . 18344 1 206 . 1 1 41 41 GLU CA C 13 57.320 0.400 . 1 . . . . 41 GLU CA . 18344 1 207 . 1 1 41 41 GLU CB C 13 26.854 0.400 . 1 . . . . 41 GLU CB . 18344 1 208 . 1 1 41 41 GLU N N 15 119.258 0.400 . 1 . . . . 41 GLU N . 18344 1 209 . 1 1 42 42 GLU H H 1 7.655 0.020 . 1 . . . . 42 GLU H . 18344 1 210 . 1 1 42 42 GLU C C 13 175.065 0.400 . 1 . . . . 42 GLU C . 18344 1 211 . 1 1 42 42 GLU CA C 13 55.714 0.400 . 1 . . . . 42 GLU CA . 18344 1 212 . 1 1 42 42 GLU CB C 13 26.859 0.400 . 1 . . . . 42 GLU CB . 18344 1 213 . 1 1 42 42 GLU N N 15 116.994 0.400 . 1 . . . . 42 GLU N . 18344 1 214 . 1 1 43 43 PHE H H 1 7.619 0.020 . 1 . . . . 43 PHE H . 18344 1 215 . 1 1 43 43 PHE C C 13 175.677 0.400 . 1 . . . . 43 PHE C . 18344 1 216 . 1 1 43 43 PHE CA C 13 56.887 0.400 . 1 . . . . 43 PHE CA . 18344 1 217 . 1 1 43 43 PHE CB C 13 39.250 0.400 . 1 . . . . 43 PHE CB . 18344 1 218 . 1 1 43 43 PHE N N 15 115.507 0.400 . 1 . . . . 43 PHE N . 18344 1 219 . 1 1 44 44 GLY H H 1 7.745 0.020 . 1 . . . . 44 GLY H . 18344 1 220 . 1 1 44 44 GLY C C 13 174.104 0.400 . 1 . . . . 44 GLY C . 18344 1 221 . 1 1 44 44 GLY CA C 13 44.951 0.400 . 1 . . . . 44 GLY CA . 18344 1 222 . 1 1 44 44 GLY N N 15 107.095 0.400 . 1 . . . . 44 GLY N . 18344 1 223 . 1 1 45 45 ASN H H 1 8.354 0.020 . 1 . . . . 45 ASN H . 18344 1 224 . 1 1 45 45 ASN HD21 H 1 7.552 0.020 . 2 . . . . 45 ASN HD21 . 18344 1 225 . 1 1 45 45 ASN HD22 H 1 6.909 0.020 . 2 . . . . 45 ASN HD22 . 18344 1 226 . 1 1 45 45 ASN C C 13 175.933 0.400 . 1 . . . . 45 ASN C . 18344 1 227 . 1 1 45 45 ASN CA C 13 53.322 0.400 . 1 . . . . 45 ASN CA . 18344 1 228 . 1 1 45 45 ASN CB C 13 37.883 0.400 . 1 . . . . 45 ASN CB . 18344 1 229 . 1 1 45 45 ASN N N 15 117.414 0.400 . 1 . . . . 45 ASN N . 18344 1 230 . 1 1 45 45 ASN ND2 N 15 112.301 0.400 . 1 . . . . 45 ASN ND2 . 18344 1 231 . 1 1 46 46 GLN H H 1 8.671 0.020 . 1 . . . . 46 GLN H . 18344 1 232 . 1 1 46 46 GLN HE21 H 1 6.776 0.020 . 2 . . . . 46 GLN HE21 . 18344 1 233 . 1 1 46 46 GLN HE22 H 1 7.234 0.020 . 2 . . . . 46 GLN HE22 . 18344 1 234 . 1 1 46 46 GLN C C 13 175.845 0.400 . 1 . . . . 46 GLN C . 18344 1 235 . 1 1 46 46 GLN CA C 13 56.231 0.400 . 1 . . . . 46 GLN CA . 18344 1 236 . 1 1 46 46 GLN CB C 13 27.691 0.400 . 1 . . . . 46 GLN CB . 18344 1 237 . 1 1 46 46 GLN N N 15 118.777 0.400 . 1 . . . . 46 GLN N . 18344 1 238 . 1 1 46 46 GLN NE2 N 15 112.145 0.400 . 1 . . . . 46 GLN NE2 . 18344 1 239 . 1 1 47 47 PHE H H 1 7.911 0.020 . 1 . . . . 47 PHE H . 18344 1 240 . 1 1 47 47 PHE C C 13 175.920 0.400 . 1 . . . . 47 PHE C . 18344 1 241 . 1 1 47 47 PHE CA C 13 57.211 0.400 . 1 . . . . 47 PHE CA . 18344 1 242 . 1 1 47 47 PHE CB C 13 39.132 0.400 . 1 . . . . 47 PHE CB . 18344 1 243 . 1 1 47 47 PHE N N 15 119.354 0.400 . 1 . . . . 47 PHE N . 18344 1 244 . 1 1 48 48 GLN H H 1 8.232 0.020 . 1 . . . . 48 GLN H . 18344 1 245 . 1 1 48 48 GLN HE21 H 1 6.862 0.020 . 2 . . . . 48 GLN HE21 . 18344 1 246 . 1 1 48 48 GLN HE22 H 1 7.509 0.020 . 2 . . . . 48 GLN HE22 . 18344 1 247 . 1 1 48 48 GLN C C 13 174.315 0.400 . 1 . . . . 48 GLN C . 18344 1 248 . 1 1 48 48 GLN CA C 13 54.992 0.400 . 1 . . . . 48 GLN CA . 18344 1 249 . 1 1 48 48 GLN CB C 13 28.196 0.400 . 1 . . . . 48 GLN CB . 18344 1 250 . 1 1 48 48 GLN N N 15 119.917 0.400 . 1 . . . . 48 GLN N . 18344 1 251 . 1 1 48 48 GLN NE2 N 15 112.287 0.400 . 1 . . . . 48 GLN NE2 . 18344 1 252 . 1 1 49 49 LYS H H 1 8.435 0.020 . 1 . . . . 49 LYS H . 18344 1 253 . 1 1 49 49 LYS C C 13 175.806 0.400 . 1 . . . . 49 LYS C . 18344 1 254 . 1 1 49 49 LYS CA C 13 58.077 0.400 . 1 . . . . 49 LYS CA . 18344 1 255 . 1 1 49 49 LYS CB C 13 31.685 0.400 . 1 . . . . 49 LYS CB . 18344 1 256 . 1 1 49 49 LYS N N 15 121.711 0.400 . 1 . . . . 49 LYS N . 18344 1 257 . 1 1 50 50 ALA H H 1 8.586 0.020 . 1 . . . . 50 ALA H . 18344 1 258 . 1 1 50 50 ALA C C 13 178.754 0.400 . 1 . . . . 50 ALA C . 18344 1 259 . 1 1 50 50 ALA CA C 13 53.698 0.400 . 1 . . . . 50 ALA CA . 18344 1 260 . 1 1 50 50 ALA CB C 13 18.244 0.400 . 1 . . . . 50 ALA CB . 18344 1 261 . 1 1 50 50 ALA N N 15 120.227 0.400 . 1 . . . . 50 ALA N . 18344 1 262 . 1 1 51 51 GLU H H 1 7.897 0.020 . 1 . . . . 51 GLU H . 18344 1 263 . 1 1 51 51 GLU C C 13 177.224 0.400 . 1 . . . . 51 GLU C . 18344 1 264 . 1 1 51 51 GLU CA C 13 56.544 0.400 . 1 . . . . 51 GLU CA . 18344 1 265 . 1 1 51 51 GLU CB C 13 28.333 0.400 . 1 . . . . 51 GLU CB . 18344 1 266 . 1 1 51 51 GLU N N 15 114.753 0.400 . 1 . . . . 51 GLU N . 18344 1 267 . 1 1 52 52 THR H H 1 7.878 0.020 . 1 . . . . 52 THR H . 18344 1 268 . 1 1 52 52 THR C C 13 175.320 0.400 . 1 . . . . 52 THR C . 18344 1 269 . 1 1 52 52 THR CA C 13 62.427 0.400 . 1 . . . . 52 THR CA . 18344 1 270 . 1 1 52 52 THR CB C 13 68.835 0.400 . 1 . . . . 52 THR CB . 18344 1 271 . 1 1 52 52 THR N N 15 111.325 0.400 . 1 . . . . 52 THR N . 18344 1 272 . 1 1 53 53 ILE H H 1 8.353 0.020 . 1 . . . . 53 ILE H . 18344 1 273 . 1 1 53 53 ILE CA C 13 55.620 0.400 . 1 . . . . 53 ILE CA . 18344 1 274 . 1 1 53 53 ILE CB C 13 27.487 0.400 . 1 . . . . 53 ILE CB . 18344 1 275 . 1 1 53 53 ILE N N 15 119.000 0.400 . 1 . . . . 53 ILE N . 18344 1 276 . 1 1 54 54 PRO C C 13 179.635 0.400 . 1 . . . . 54 PRO C . 18344 1 277 . 1 1 54 54 PRO CA C 13 65.434 0.400 . 1 . . . . 54 PRO CA . 18344 1 278 . 1 1 54 54 PRO CB C 13 30.704 0.400 . 1 . . . . 54 PRO CB . 18344 1 279 . 1 1 55 55 VAL H H 1 7.122 0.020 . 1 . . . . 55 VAL H . 18344 1 280 . 1 1 55 55 VAL C C 13 177.704 0.400 . 1 . . . . 55 VAL C . 18344 1 281 . 1 1 55 55 VAL CA C 13 65.314 0.400 . 1 . . . . 55 VAL CA . 18344 1 282 . 1 1 55 55 VAL CB C 13 30.768 0.400 . 1 . . . . 55 VAL CB . 18344 1 283 . 1 1 55 55 VAL N N 15 116.054 0.400 . 1 . . . . 55 VAL N . 18344 1 284 . 1 1 56 56 LEU H H 1 8.546 0.020 . 1 . . . . 56 LEU H . 18344 1 285 . 1 1 56 56 LEU C C 13 178.640 0.400 . 1 . . . . 56 LEU C . 18344 1 286 . 1 1 56 56 LEU CA C 13 57.478 0.400 . 1 . . . . 56 LEU CA . 18344 1 287 . 1 1 56 56 LEU CB C 13 41.352 0.400 . 1 . . . . 56 LEU CB . 18344 1 288 . 1 1 56 56 LEU N N 15 122.938 0.400 . 1 . . . . 56 LEU N . 18344 1 289 . 1 1 57 57 HIS H H 1 9.057 0.020 . 1 . . . . 57 HIS H . 18344 1 290 . 1 1 57 57 HIS C C 13 175.718 0.400 . 1 . . . . 57 HIS C . 18344 1 291 . 1 1 57 57 HIS CA C 13 59.987 0.400 . 1 . . . . 57 HIS CA . 18344 1 292 . 1 1 57 57 HIS CB C 13 27.440 0.400 . 1 . . . . 57 HIS CB . 18344 1 293 . 1 1 57 57 HIS N N 15 116.914 0.400 . 1 . . . . 57 HIS N . 18344 1 294 . 1 1 58 58 GLU H H 1 7.861 0.020 . 1 . . . . 58 GLU H . 18344 1 295 . 1 1 58 58 GLU C C 13 177.778 0.400 . 1 . . . . 58 GLU C . 18344 1 296 . 1 1 58 58 GLU CA C 13 58.653 0.400 . 1 . . . . 58 GLU CA . 18344 1 297 . 1 1 58 58 GLU CB C 13 28.230 0.400 . 1 . . . . 58 GLU CB . 18344 1 298 . 1 1 58 58 GLU N N 15 119.466 0.400 . 1 . . . . 58 GLU N . 18344 1 299 . 1 1 59 59 MET H H 1 8.638 0.020 . 1 . . . . 59 MET H . 18344 1 300 . 1 1 59 59 MET C C 13 177.100 0.400 . 1 . . . . 59 MET C . 18344 1 301 . 1 1 59 59 MET CA C 13 58.649 0.400 . 1 . . . . 59 MET CA . 18344 1 302 . 1 1 59 59 MET CB C 13 32.096 0.400 . 1 . . . . 59 MET CB . 18344 1 303 . 1 1 59 59 MET N N 15 118.598 0.400 . 1 . . . . 59 MET N . 18344 1 304 . 1 1 60 60 ILE H H 1 8.351 0.020 . 1 . . . . 60 ILE H . 18344 1 305 . 1 1 60 60 ILE C C 13 177.360 0.400 . 1 . . . . 60 ILE C . 18344 1 306 . 1 1 60 60 ILE CA C 13 64.841 0.400 . 1 . . . . 60 ILE CA . 18344 1 307 . 1 1 60 60 ILE CB C 13 36.193 0.400 . 1 . . . . 60 ILE CB . 18344 1 308 . 1 1 60 60 ILE N N 15 117.037 0.400 . 1 . . . . 60 ILE N . 18344 1 309 . 1 1 61 61 GLN H H 1 8.229 0.020 . 1 . . . . 61 GLN H . 18344 1 310 . 1 1 61 61 GLN HE21 H 1 6.753 0.020 . 2 . . . . 61 GLN HE21 . 18344 1 311 . 1 1 61 61 GLN HE22 H 1 7.206 0.020 . 2 . . . . 61 GLN HE22 . 18344 1 312 . 1 1 61 61 GLN C C 13 178.277 0.400 . 1 . . . . 61 GLN C . 18344 1 313 . 1 1 61 61 GLN CA C 13 58.157 0.400 . 1 . . . . 61 GLN CA . 18344 1 314 . 1 1 61 61 GLN CB C 13 28.309 0.400 . 1 . . . . 61 GLN CB . 18344 1 315 . 1 1 61 61 GLN N N 15 119.984 0.400 . 1 . . . . 61 GLN N . 18344 1 316 . 1 1 61 61 GLN NE2 N 15 113.596 0.400 . 1 . . . . 61 GLN NE2 . 18344 1 317 . 1 1 62 62 GLN H H 1 8.435 0.020 . 1 . . . . 62 GLN H . 18344 1 318 . 1 1 62 62 GLN HE21 H 1 7.078 0.020 . 2 . . . . 62 GLN HE21 . 18344 1 319 . 1 1 62 62 GLN HE22 H 1 8.217 0.020 . 2 . . . . 62 GLN HE22 . 18344 1 320 . 1 1 62 62 GLN C C 13 179.702 0.400 . 1 . . . . 62 GLN C . 18344 1 321 . 1 1 62 62 GLN CA C 13 57.335 0.400 . 1 . . . . 62 GLN CA . 18344 1 322 . 1 1 62 62 GLN CB C 13 23.870 0.400 . 1 . . . . 62 GLN CB . 18344 1 323 . 1 1 62 62 GLN N N 15 116.625 0.400 . 1 . . . . 62 GLN N . 18344 1 324 . 1 1 62 62 GLN NE2 N 15 114.454 0.400 . 1 . . . . 62 GLN NE2 . 18344 1 325 . 1 1 63 63 ILE H H 1 8.177 0.020 . 1 . . . . 63 ILE H . 18344 1 326 . 1 1 63 63 ILE C C 13 177.320 0.400 . 1 . . . . 63 ILE C . 18344 1 327 . 1 1 63 63 ILE CA C 13 66.562 0.400 . 1 . . . . 63 ILE CA . 18344 1 328 . 1 1 63 63 ILE CB C 13 37.491 0.400 . 1 . . . . 63 ILE CB . 18344 1 329 . 1 1 63 63 ILE N N 15 122.679 0.400 . 1 . . . . 63 ILE N . 18344 1 330 . 1 1 64 64 PHE H H 1 8.417 0.020 . 1 . . . . 64 PHE H . 18344 1 331 . 1 1 64 64 PHE C C 13 178.477 0.400 . 1 . . . . 64 PHE C . 18344 1 332 . 1 1 64 64 PHE CA C 13 61.604 0.400 . 1 . . . . 64 PHE CA . 18344 1 333 . 1 1 64 64 PHE CB C 13 37.673 0.400 . 1 . . . . 64 PHE CB . 18344 1 334 . 1 1 64 64 PHE N N 15 120.727 0.400 . 1 . . . . 64 PHE N . 18344 1 335 . 1 1 65 65 ASN H H 1 8.820 0.020 . 1 . . . . 65 ASN H . 18344 1 336 . 1 1 65 65 ASN HD21 H 1 7.132 0.020 . 2 . . . . 65 ASN HD21 . 18344 1 337 . 1 1 65 65 ASN HD22 H 1 7.105 0.020 . 2 . . . . 65 ASN HD22 . 18344 1 338 . 1 1 65 65 ASN C C 13 178.007 0.400 . 1 . . . . 65 ASN C . 18344 1 339 . 1 1 65 65 ASN CA C 13 55.312 0.400 . 1 . . . . 65 ASN CA . 18344 1 340 . 1 1 65 65 ASN CB C 13 36.688 0.400 . 1 . . . . 65 ASN CB . 18344 1 341 . 1 1 65 65 ASN N N 15 119.808 0.400 . 1 . . . . 65 ASN N . 18344 1 342 . 1 1 65 65 ASN ND2 N 15 108.837 0.400 . 1 . . . . 65 ASN ND2 . 18344 1 343 . 1 1 66 66 LEU H H 1 8.183 0.020 . 1 . . . . 66 LEU H . 18344 1 344 . 1 1 66 66 LEU C C 13 177.830 0.400 . 1 . . . . 66 LEU C . 18344 1 345 . 1 1 66 66 LEU CA C 13 57.436 0.400 . 1 . . . . 66 LEU CA . 18344 1 346 . 1 1 66 66 LEU CB C 13 42.083 0.400 . 1 . . . . 66 LEU CB . 18344 1 347 . 1 1 66 66 LEU N N 15 121.431 0.400 . 1 . . . . 66 LEU N . 18344 1 348 . 1 1 67 67 PHE H H 1 8.169 0.020 . 1 . . . . 67 PHE H . 18344 1 349 . 1 1 67 67 PHE C C 13 177.954 0.400 . 1 . . . . 67 PHE C . 18344 1 350 . 1 1 67 67 PHE CA C 13 59.057 0.400 . 1 . . . . 67 PHE CA . 18344 1 351 . 1 1 67 67 PHE CB C 13 38.077 0.400 . 1 . . . . 67 PHE CB . 18344 1 352 . 1 1 67 67 PHE N N 15 110.696 0.400 . 1 . . . . 67 PHE N . 18344 1 353 . 1 1 68 68 SER H H 1 8.025 0.020 . 1 . . . . 68 SER H . 18344 1 354 . 1 1 68 68 SER C C 13 173.517 0.400 . 1 . . . . 68 SER C . 18344 1 355 . 1 1 68 68 SER CA C 13 58.718 0.400 . 1 . . . . 68 SER CA . 18344 1 356 . 1 1 68 68 SER CB C 13 62.809 0.400 . 1 . . . . 68 SER CB . 18344 1 357 . 1 1 68 68 SER N N 15 119.005 0.400 . 1 . . . . 68 SER N . 18344 1 358 . 1 1 69 69 THR H H 1 6.985 0.020 . 1 . . . . 69 THR H . 18344 1 359 . 1 1 69 69 THR C C 13 175.750 0.400 . 1 . . . . 69 THR C . 18344 1 360 . 1 1 69 69 THR CA C 13 60.757 0.400 . 1 . . . . 69 THR CA . 18344 1 361 . 1 1 69 69 THR CB C 13 71.905 0.400 . 1 . . . . 69 THR CB . 18344 1 362 . 1 1 69 69 THR N N 15 111.191 0.400 . 1 . . . . 69 THR N . 18344 1 363 . 1 1 70 70 LYS H H 1 9.070 0.020 . 1 . . . . 70 LYS H . 18344 1 364 . 1 1 70 70 LYS C C 13 179.266 0.400 . 1 . . . . 70 LYS C . 18344 1 365 . 1 1 70 70 LYS CA C 13 58.090 0.400 . 1 . . . . 70 LYS CA . 18344 1 366 . 1 1 70 70 LYS CB C 13 30.982 0.400 . 1 . . . . 70 LYS CB . 18344 1 367 . 1 1 70 70 LYS N N 15 120.974 0.400 . 1 . . . . 70 LYS N . 18344 1 368 . 1 1 71 71 ASP H H 1 7.535 0.020 . 1 . . . . 71 ASP H . 18344 1 369 . 1 1 71 71 ASP C C 13 178.370 0.400 . 1 . . . . 71 ASP C . 18344 1 370 . 1 1 71 71 ASP CA C 13 56.336 0.400 . 1 . . . . 71 ASP CA . 18344 1 371 . 1 1 71 71 ASP CB C 13 39.838 0.400 . 1 . . . . 71 ASP CB . 18344 1 372 . 1 1 71 71 ASP N N 15 116.175 0.400 . 1 . . . . 71 ASP N . 18344 1 373 . 1 1 72 72 SER H H 1 8.072 0.020 . 1 . . . . 72 SER H . 18344 1 374 . 1 1 72 72 SER C C 13 176.890 0.400 . 1 . . . . 72 SER C . 18344 1 375 . 1 1 72 72 SER CA C 13 59.713 0.400 . 1 . . . . 72 SER CA . 18344 1 376 . 1 1 72 72 SER CB C 13 62.186 0.400 . 1 . . . . 72 SER CB . 18344 1 377 . 1 1 72 72 SER N N 15 117.135 0.400 . 1 . . . . 72 SER N . 18344 1 378 . 1 1 73 73 SER H H 1 7.991 0.020 . 1 . . . . 73 SER H . 18344 1 379 . 1 1 73 73 SER C C 13 174.848 0.400 . 1 . . . . 73 SER C . 18344 1 380 . 1 1 73 73 SER CA C 13 60.750 0.400 . 1 . . . . 73 SER CA . 18344 1 381 . 1 1 73 73 SER CB C 13 62.268 0.400 . 1 . . . . 73 SER CB . 18344 1 382 . 1 1 73 73 SER N N 15 113.190 0.400 . 1 . . . . 73 SER N . 18344 1 383 . 1 1 74 74 ALA H H 1 7.106 0.020 . 1 . . . . 74 ALA H . 18344 1 384 . 1 1 74 74 ALA C C 13 177.641 0.400 . 1 . . . . 74 ALA C . 18344 1 385 . 1 1 74 74 ALA CA C 13 52.241 0.400 . 1 . . . . 74 ALA CA . 18344 1 386 . 1 1 74 74 ALA CB C 13 18.051 0.400 . 1 . . . . 74 ALA CB . 18344 1 387 . 1 1 74 74 ALA N N 15 119.293 0.400 . 1 . . . . 74 ALA N . 18344 1 388 . 1 1 75 75 ALA H H 1 7.169 0.020 . 1 . . . . 75 ALA H . 18344 1 389 . 1 1 75 75 ALA C C 13 177.212 0.400 . 1 . . . . 75 ALA C . 18344 1 390 . 1 1 75 75 ALA CA C 13 52.499 0.400 . 1 . . . . 75 ALA CA . 18344 1 391 . 1 1 75 75 ALA CB C 13 17.607 0.400 . 1 . . . . 75 ALA CB . 18344 1 392 . 1 1 75 75 ALA N N 15 121.276 0.400 . 1 . . . . 75 ALA N . 18344 1 393 . 1 1 76 76 TRP H H 1 7.092 0.020 . 1 . . . . 76 TRP H . 18344 1 394 . 1 1 76 76 TRP HE1 H 1 6.784 0.020 . 1 . . . . 76 TRP HE1 . 18344 1 395 . 1 1 76 76 TRP C C 13 174.793 0.400 . 1 . . . . 76 TRP C . 18344 1 396 . 1 1 76 76 TRP CA C 13 52.880 0.400 . 1 . . . . 76 TRP CA . 18344 1 397 . 1 1 76 76 TRP CB C 13 32.822 0.400 . 1 . . . . 76 TRP CB . 18344 1 398 . 1 1 76 76 TRP N N 15 116.629 0.400 . 1 . . . . 76 TRP N . 18344 1 399 . 1 1 76 76 TRP NE1 N 15 121.914 0.400 . 1 . . . . 76 TRP NE1 . 18344 1 400 . 1 1 77 77 ASP H H 1 8.231 0.020 . 1 . . . . 77 ASP H . 18344 1 401 . 1 1 77 77 ASP C C 13 176.884 0.400 . 1 . . . . 77 ASP C . 18344 1 402 . 1 1 77 77 ASP CA C 13 54.259 0.400 . 1 . . . . 77 ASP CA . 18344 1 403 . 1 1 77 77 ASP CB C 13 41.812 0.400 . 1 . . . . 77 ASP CB . 18344 1 404 . 1 1 77 77 ASP N N 15 119.888 0.400 . 1 . . . . 77 ASP N . 18344 1 405 . 1 1 78 78 GLU H H 1 8.928 0.020 . 1 . . . . 78 GLU H . 18344 1 406 . 1 1 78 78 GLU C C 13 177.496 0.400 . 1 . . . . 78 GLU C . 18344 1 407 . 1 1 78 78 GLU CA C 13 59.004 0.400 . 1 . . . . 78 GLU CA . 18344 1 408 . 1 1 78 78 GLU CB C 13 28.036 0.400 . 1 . . . . 78 GLU CB . 18344 1 409 . 1 1 78 78 GLU N N 15 127.097 0.400 . 1 . . . . 78 GLU N . 18344 1 410 . 1 1 79 79 THR H H 1 8.124 0.020 . 1 . . . . 79 THR H . 18344 1 411 . 1 1 79 79 THR C C 13 177.404 0.400 . 1 . . . . 79 THR C . 18344 1 412 . 1 1 79 79 THR CA C 13 65.701 0.400 . 1 . . . . 79 THR CA . 18344 1 413 . 1 1 79 79 THR CB C 13 67.367 0.400 . 1 . . . . 79 THR CB . 18344 1 414 . 1 1 79 79 THR N N 15 115.274 0.400 . 1 . . . . 79 THR N . 18344 1 415 . 1 1 80 80 LEU H H 1 7.726 0.020 . 1 . . . . 80 LEU H . 18344 1 416 . 1 1 80 80 LEU C C 13 179.048 0.400 . 1 . . . . 80 LEU C . 18344 1 417 . 1 1 80 80 LEU CA C 13 57.059 0.400 . 1 . . . . 80 LEU CA . 18344 1 418 . 1 1 80 80 LEU CB C 13 41.015 0.400 . 1 . . . . 80 LEU CB . 18344 1 419 . 1 1 80 80 LEU N N 15 121.582 0.400 . 1 . . . . 80 LEU N . 18344 1 420 . 1 1 81 81 LEU H H 1 8.347 0.020 . 1 . . . . 81 LEU H . 18344 1 421 . 1 1 81 81 LEU C C 13 177.120 0.400 . 1 . . . . 81 LEU C . 18344 1 422 . 1 1 81 81 LEU CA C 13 57.099 0.400 . 1 . . . . 81 LEU CA . 18344 1 423 . 1 1 81 81 LEU CB C 13 40.515 0.400 . 1 . . . . 81 LEU CB . 18344 1 424 . 1 1 81 81 LEU N N 15 119.157 0.400 . 1 . . . . 81 LEU N . 18344 1 425 . 1 1 82 82 ASP H H 1 8.010 0.020 . 1 . . . . 82 ASP H . 18344 1 426 . 1 1 82 82 ASP C C 13 179.020 0.400 . 1 . . . . 82 ASP C . 18344 1 427 . 1 1 82 82 ASP CA C 13 56.022 0.400 . 1 . . . . 82 ASP CA . 18344 1 428 . 1 1 82 82 ASP CB C 13 37.485 0.400 . 1 . . . . 82 ASP CB . 18344 1 429 . 1 1 82 82 ASP N N 15 115.193 0.400 . 1 . . . . 82 ASP N . 18344 1 430 . 1 1 83 83 LYS H H 1 7.351 0.020 . 1 . . . . 83 LYS H . 18344 1 431 . 1 1 83 83 LYS C C 13 178.583 0.400 . 1 . . . . 83 LYS C . 18344 1 432 . 1 1 83 83 LYS CA C 13 58.946 0.400 . 1 . . . . 83 LYS CA . 18344 1 433 . 1 1 83 83 LYS CB C 13 32.562 0.400 . 1 . . . . 83 LYS CB . 18344 1 434 . 1 1 83 83 LYS N N 15 119.453 0.400 . 1 . . . . 83 LYS N . 18344 1 435 . 1 1 84 84 PHE H H 1 8.482 0.020 . 1 . . . . 84 PHE H . 18344 1 436 . 1 1 84 84 PHE C C 13 177.229 0.400 . 1 . . . . 84 PHE C . 18344 1 437 . 1 1 84 84 PHE CA C 13 59.695 0.400 . 1 . . . . 84 PHE CA . 18344 1 438 . 1 1 84 84 PHE CB C 13 38.671 0.400 . 1 . . . . 84 PHE CB . 18344 1 439 . 1 1 84 84 PHE N N 15 123.708 0.400 . 1 . . . . 84 PHE N . 18344 1 440 . 1 1 85 85 TYR H H 1 9.017 0.020 . 1 . . . . 85 TYR H . 18344 1 441 . 1 1 85 85 TYR C C 13 178.188 0.400 . 1 . . . . 85 TYR C . 18344 1 442 . 1 1 85 85 TYR CA C 13 58.042 0.400 . 1 . . . . 85 TYR CA . 18344 1 443 . 1 1 85 85 TYR CB C 13 36.216 0.400 . 1 . . . . 85 TYR CB . 18344 1 444 . 1 1 85 85 TYR N N 15 118.185 0.400 . 1 . . . . 85 TYR N . 18344 1 445 . 1 1 86 86 THR H H 1 7.620 0.020 . 1 . . . . 86 THR H . 18344 1 446 . 1 1 86 86 THR C C 13 176.751 0.400 . 1 . . . . 86 THR C . 18344 1 447 . 1 1 86 86 THR CA C 13 66.504 0.400 . 1 . . . . 86 THR CA . 18344 1 448 . 1 1 86 86 THR CB C 13 68.340 0.400 . 1 . . . . 86 THR CB . 18344 1 449 . 1 1 86 86 THR N N 15 113.903 0.400 . 1 . . . . 86 THR N . 18344 1 450 . 1 1 87 87 GLU H H 1 7.730 0.020 . 1 . . . . 87 GLU H . 18344 1 451 . 1 1 87 87 GLU C C 13 179.640 0.400 . 1 . . . . 87 GLU C . 18344 1 452 . 1 1 87 87 GLU CA C 13 57.775 0.400 . 1 . . . . 87 GLU CA . 18344 1 453 . 1 1 87 87 GLU CB C 13 27.678 0.400 . 1 . . . . 87 GLU CB . 18344 1 454 . 1 1 87 87 GLU N N 15 120.723 0.400 . 1 . . . . 87 GLU N . 18344 1 455 . 1 1 88 88 LEU H H 1 8.398 0.020 . 1 . . . . 88 LEU H . 18344 1 456 . 1 1 88 88 LEU C C 13 178.639 0.400 . 1 . . . . 88 LEU C . 18344 1 457 . 1 1 88 88 LEU CA C 13 57.517 0.400 . 1 . . . . 88 LEU CA . 18344 1 458 . 1 1 88 88 LEU CB C 13 40.624 0.400 . 1 . . . . 88 LEU CB . 18344 1 459 . 1 1 88 88 LEU N N 15 120.663 0.400 . 1 . . . . 88 LEU N . 18344 1 460 . 1 1 89 89 TYR H H 1 8.634 0.020 . 1 . . . . 89 TYR H . 18344 1 461 . 1 1 89 89 TYR C C 13 178.476 0.400 . 1 . . . . 89 TYR C . 18344 1 462 . 1 1 89 89 TYR CA C 13 60.906 0.400 . 1 . . . . 89 TYR CA . 18344 1 463 . 1 1 89 89 TYR CB C 13 37.143 0.400 . 1 . . . . 89 TYR CB . 18344 1 464 . 1 1 89 89 TYR N N 15 118.540 0.400 . 1 . . . . 89 TYR N . 18344 1 465 . 1 1 90 90 GLN H H 1 7.815 0.020 . 1 . . . . 90 GLN H . 18344 1 466 . 1 1 90 90 GLN HE21 H 1 6.839 0.020 . 2 . . . . 90 GLN HE21 . 18344 1 467 . 1 1 90 90 GLN HE22 H 1 7.480 0.020 . 2 . . . . 90 GLN HE22 . 18344 1 468 . 1 1 90 90 GLN C C 13 178.484 0.400 . 1 . . . . 90 GLN C . 18344 1 469 . 1 1 90 90 GLN CA C 13 58.498 0.400 . 1 . . . . 90 GLN CA . 18344 1 470 . 1 1 90 90 GLN CB C 13 27.700 0.400 . 1 . . . . 90 GLN CB . 18344 1 471 . 1 1 90 90 GLN N N 15 118.121 0.400 . 1 . . . . 90 GLN N . 18344 1 472 . 1 1 90 90 GLN NE2 N 15 112.983 0.400 . 1 . . . . 90 GLN NE2 . 18344 1 473 . 1 1 91 91 GLN H H 1 7.751 0.020 . 1 . . . . 91 GLN H . 18344 1 474 . 1 1 91 91 GLN HE21 H 1 6.817 0.020 . 2 . . . . 91 GLN HE21 . 18344 1 475 . 1 1 91 91 GLN HE22 H 1 7.569 0.020 . 2 . . . . 91 GLN HE22 . 18344 1 476 . 1 1 91 91 GLN C C 13 178.687 0.400 . 1 . . . . 91 GLN C . 18344 1 477 . 1 1 91 91 GLN CA C 13 58.806 0.400 . 1 . . . . 91 GLN CA . 18344 1 478 . 1 1 91 91 GLN CB C 13 29.497 0.400 . 1 . . . . 91 GLN CB . 18344 1 479 . 1 1 91 91 GLN N N 15 117.845 0.400 . 1 . . . . 91 GLN N . 18344 1 480 . 1 1 91 91 GLN NE2 N 15 112.176 0.400 . 1 . . . . 91 GLN NE2 . 18344 1 481 . 1 1 92 92 LEU H H 1 8.477 0.020 . 1 . . . . 92 LEU H . 18344 1 482 . 1 1 92 92 LEU C C 13 178.991 0.400 . 1 . . . . 92 LEU C . 18344 1 483 . 1 1 92 92 LEU CA C 13 58.101 0.400 . 1 . . . . 92 LEU CA . 18344 1 484 . 1 1 92 92 LEU CB C 13 40.671 0.400 . 1 . . . . 92 LEU CB . 18344 1 485 . 1 1 92 92 LEU N N 15 119.862 0.400 . 1 . . . . 92 LEU N . 18344 1 486 . 1 1 93 93 ASN H H 1 8.095 0.020 . 1 . . . . 93 ASN H . 18344 1 487 . 1 1 93 93 ASN HD21 H 1 6.407 0.020 . 2 . . . . 93 ASN HD21 . 18344 1 488 . 1 1 93 93 ASN HD22 H 1 7.345 0.020 . 2 . . . . 93 ASN HD22 . 18344 1 489 . 1 1 93 93 ASN C C 13 178.201 0.400 . 1 . . . . 93 ASN C . 18344 1 490 . 1 1 93 93 ASN CA C 13 55.737 0.400 . 1 . . . . 93 ASN CA . 18344 1 491 . 1 1 93 93 ASN CB C 13 37.577 0.400 . 1 . . . . 93 ASN CB . 18344 1 492 . 1 1 93 93 ASN N N 15 117.635 0.400 . 1 . . . . 93 ASN N . 18344 1 493 . 1 1 93 93 ASN ND2 N 15 111.923 0.400 . 1 . . . . 93 ASN ND2 . 18344 1 494 . 1 1 94 94 ASP H H 1 8.382 0.020 . 1 . . . . 94 ASP H . 18344 1 495 . 1 1 94 94 ASP C C 13 178.311 0.400 . 1 . . . . 94 ASP C . 18344 1 496 . 1 1 94 94 ASP CA C 13 56.167 0.400 . 1 . . . . 94 ASP CA . 18344 1 497 . 1 1 94 94 ASP CB C 13 38.578 0.400 . 1 . . . . 94 ASP CB . 18344 1 498 . 1 1 94 94 ASP N N 15 120.974 0.400 . 1 . . . . 94 ASP N . 18344 1 499 . 1 1 95 95 LEU H H 1 8.162 0.020 . 1 . . . . 95 LEU H . 18344 1 500 . 1 1 95 95 LEU C C 13 178.889 0.400 . 1 . . . . 95 LEU C . 18344 1 501 . 1 1 95 95 LEU CA C 13 57.275 0.400 . 1 . . . . 95 LEU CA . 18344 1 502 . 1 1 95 95 LEU CB C 13 41.742 0.400 . 1 . . . . 95 LEU CB . 18344 1 503 . 1 1 95 95 LEU N N 15 119.125 0.400 . 1 . . . . 95 LEU N . 18344 1 504 . 1 1 96 96 GLU H H 1 8.100 0.020 . 1 . . . . 96 GLU H . 18344 1 505 . 1 1 96 96 GLU C C 13 177.677 0.400 . 1 . . . . 96 GLU C . 18344 1 506 . 1 1 96 96 GLU CA C 13 57.408 0.400 . 1 . . . . 96 GLU CA . 18344 1 507 . 1 1 96 96 GLU CB C 13 27.334 0.400 . 1 . . . . 96 GLU CB . 18344 1 508 . 1 1 96 96 GLU N N 15 118.609 0.400 . 1 . . . . 96 GLU N . 18344 1 509 . 1 1 97 97 ALA H H 1 7.828 0.020 . 1 . . . . 97 ALA H . 18344 1 510 . 1 1 97 97 ALA C C 13 179.198 0.400 . 1 . . . . 97 ALA C . 18344 1 511 . 1 1 97 97 ALA CA C 13 53.576 0.400 . 1 . . . . 97 ALA CA . 18344 1 512 . 1 1 97 97 ALA CB C 13 17.674 0.400 . 1 . . . . 97 ALA CB . 18344 1 513 . 1 1 97 97 ALA N N 15 120.491 0.400 . 1 . . . . 97 ALA N . 18344 1 514 . 1 1 98 98 CYS H H 1 7.609 0.020 . 1 . . . . 98 CYS H . 18344 1 515 . 1 1 98 98 CYS C C 13 175.243 0.400 . 1 . . . . 98 CYS C . 18344 1 516 . 1 1 98 98 CYS CA C 13 56.727 0.400 . 1 . . . . 98 CYS CA . 18344 1 517 . 1 1 98 98 CYS CB C 13 41.587 0.400 . 1 . . . . 98 CYS CB . 18344 1 518 . 1 1 98 98 CYS N N 15 115.372 0.400 . 1 . . . . 98 CYS N . 18344 1 519 . 1 1 99 99 VAL H H 1 7.834 0.020 . 1 . . . . 99 VAL H . 18344 1 520 . 1 1 99 99 VAL C C 13 177.416 0.400 . 1 . . . . 99 VAL C . 18344 1 521 . 1 1 99 99 VAL CA C 13 64.129 0.400 . 1 . . . . 99 VAL CA . 18344 1 522 . 1 1 99 99 VAL CB C 13 31.303 0.400 . 1 . . . . 99 VAL CB . 18344 1 523 . 1 1 99 99 VAL N N 15 121.409 0.400 . 1 . . . . 99 VAL N . 18344 1 524 . 1 1 100 100 ILE H H 1 8.067 0.020 . 1 . . . . 100 ILE H . 18344 1 525 . 1 1 100 100 ILE C C 13 176.851 0.400 . 1 . . . . 100 ILE C . 18344 1 526 . 1 1 100 100 ILE CA C 13 61.738 0.400 . 1 . . . . 100 ILE CA . 18344 1 527 . 1 1 100 100 ILE CB C 13 37.639 0.400 . 1 . . . . 100 ILE CB . 18344 1 528 . 1 1 100 100 ILE N N 15 122.262 0.400 . 1 . . . . 100 ILE N . 18344 1 529 . 1 1 101 101 GLN H H 1 8.065 0.020 . 1 . . . . 101 GLN H . 18344 1 530 . 1 1 101 101 GLN C C 13 176.519 0.400 . 1 . . . . 101 GLN C . 18344 1 531 . 1 1 101 101 GLN CA C 13 55.985 0.400 . 1 . . . . 101 GLN CA . 18344 1 532 . 1 1 101 101 GLN CB C 13 28.905 0.400 . 1 . . . . 101 GLN CB . 18344 1 533 . 1 1 101 101 GLN N N 15 121.514 0.400 . 1 . . . . 101 GLN N . 18344 1 534 . 1 1 102 102 GLY H H 1 8.080 0.020 . 1 . . . . 102 GLY H . 18344 1 535 . 1 1 102 102 GLY C C 13 173.842 0.400 . 1 . . . . 102 GLY C . 18344 1 536 . 1 1 102 102 GLY CA C 13 44.688 0.400 . 1 . . . . 102 GLY CA . 18344 1 537 . 1 1 102 102 GLY N N 15 109.125 0.400 . 1 . . . . 102 GLY N . 18344 1 538 . 1 1 103 103 VAL H H 1 8.100 0.020 . 1 . . . . 103 VAL H . 18344 1 539 . 1 1 103 103 VAL C C 13 176.262 0.400 . 1 . . . . 103 VAL C . 18344 1 540 . 1 1 103 103 VAL CA C 13 61.300 0.400 . 1 . . . . 103 VAL CA . 18344 1 541 . 1 1 103 103 VAL CB C 13 32.277 0.400 . 1 . . . . 103 VAL CB . 18344 1 542 . 1 1 103 103 VAL N N 15 118.611 0.400 . 1 . . . . 103 VAL N . 18344 1 543 . 1 1 104 104 GLY H H 1 8.432 0.020 . 1 . . . . 104 GLY H . 18344 1 544 . 1 1 104 104 GLY C C 13 173.688 0.400 . 1 . . . . 104 GLY C . 18344 1 545 . 1 1 104 104 GLY CA C 13 44.530 0.400 . 1 . . . . 104 GLY CA . 18344 1 546 . 1 1 104 104 GLY N N 15 111.867 0.400 . 1 . . . . 104 GLY N . 18344 1 547 . 1 1 105 105 VAL H H 1 7.894 0.020 . 1 . . . . 105 VAL H . 18344 1 548 . 1 1 105 105 VAL C C 13 176.009 0.400 . 1 . . . . 105 VAL C . 18344 1 549 . 1 1 105 105 VAL CA C 13 61.612 0.400 . 1 . . . . 105 VAL CA . 18344 1 550 . 1 1 105 105 VAL CB C 13 32.280 0.400 . 1 . . . . 105 VAL CB . 18344 1 551 . 1 1 105 105 VAL N N 15 120.678 0.400 . 1 . . . . 105 VAL N . 18344 1 552 . 1 1 106 106 THR H H 1 8.712 0.020 . 1 . . . . 106 THR H . 18344 1 553 . 1 1 106 106 THR C C 13 173.788 0.400 . 1 . . . . 106 THR C . 18344 1 554 . 1 1 106 106 THR CA C 13 59.027 0.400 . 1 . . . . 106 THR CA . 18344 1 555 . 1 1 106 106 THR CB C 13 79.116 0.400 . 1 . . . . 106 THR CB . 18344 1 556 . 1 1 106 106 THR N N 15 116.440 0.400 . 1 . . . . 106 THR N . 18344 1 557 . 1 1 107 107 GLU H H 1 8.487 0.020 . 1 . . . . 107 GLU H . 18344 1 558 . 1 1 107 107 GLU C C 13 175.680 0.400 . 1 . . . . 107 GLU C . 18344 1 559 . 1 1 107 107 GLU CA C 13 54.170 0.400 . 1 . . . . 107 GLU CA . 18344 1 560 . 1 1 107 107 GLU CB C 13 29.668 0.400 . 1 . . . . 107 GLU CB . 18344 1 561 . 1 1 107 107 GLU N N 15 119.243 0.400 . 1 . . . . 107 GLU N . 18344 1 562 . 1 1 108 108 THR H H 1 8.135 0.020 . 1 . . . . 108 THR H . 18344 1 563 . 1 1 108 108 THR C C 13 173.452 0.400 . 1 . . . . 108 THR C . 18344 1 564 . 1 1 108 108 THR CA C 13 59.701 0.400 . 1 . . . . 108 THR CA . 18344 1 565 . 1 1 108 108 THR CB C 13 68.225 0.400 . 1 . . . . 108 THR CB . 18344 1 566 . 1 1 108 108 THR N N 15 113.929 0.400 . 1 . . . . 108 THR N . 18344 1 567 . 1 1 109 109 PRO C C 13 178.745 0.400 . 1 . . . . 109 PRO C . 18344 1 568 . 1 1 109 109 PRO CA C 13 64.899 0.400 . 1 . . . . 109 PRO CA . 18344 1 569 . 1 1 109 109 PRO CB C 13 31.234 0.400 . 1 . . . . 109 PRO CB . 18344 1 570 . 1 1 110 110 LEU H H 1 8.019 0.020 . 1 . . . . 110 LEU H . 18344 1 571 . 1 1 110 110 LEU C C 13 178.304 0.400 . 1 . . . . 110 LEU C . 18344 1 572 . 1 1 110 110 LEU CA C 13 56.996 0.400 . 1 . . . . 110 LEU CA . 18344 1 573 . 1 1 110 110 LEU CB C 13 41.493 0.400 . 1 . . . . 110 LEU CB . 18344 1 574 . 1 1 110 110 LEU N N 15 118.317 0.400 . 1 . . . . 110 LEU N . 18344 1 575 . 1 1 111 111 MET H H 1 7.682 0.020 . 1 . . . . 111 MET H . 18344 1 576 . 1 1 111 111 MET C C 13 178.915 0.400 . 1 . . . . 111 MET C . 18344 1 577 . 1 1 111 111 MET CA C 13 57.523 0.400 . 1 . . . . 111 MET CA . 18344 1 578 . 1 1 111 111 MET CB C 13 31.847 0.400 . 1 . . . . 111 MET CB . 18344 1 579 . 1 1 111 111 MET N N 15 118.764 0.400 . 1 . . . . 111 MET N . 18344 1 580 . 1 1 112 112 LYS H H 1 8.295 0.020 . 1 . . . . 112 LYS H . 18344 1 581 . 1 1 112 112 LYS C C 13 178.074 0.400 . 1 . . . . 112 LYS C . 18344 1 582 . 1 1 112 112 LYS CA C 13 58.868 0.400 . 1 . . . . 112 LYS CA . 18344 1 583 . 1 1 112 112 LYS CB C 13 31.775 0.400 . 1 . . . . 112 LYS CB . 18344 1 584 . 1 1 112 112 LYS N N 15 121.228 0.400 . 1 . . . . 112 LYS N . 18344 1 585 . 1 1 113 113 GLU H H 1 8.281 0.020 . 1 . . . . 113 GLU H . 18344 1 586 . 1 1 113 113 GLU C C 13 178.310 0.400 . 1 . . . . 113 GLU C . 18344 1 587 . 1 1 113 113 GLU CA C 13 57.757 0.400 . 1 . . . . 113 GLU CA . 18344 1 588 . 1 1 113 113 GLU CB C 13 27.522 0.400 . 1 . . . . 113 GLU CB . 18344 1 589 . 1 1 113 113 GLU N N 15 118.870 0.400 . 1 . . . . 113 GLU N . 18344 1 590 . 1 1 114 114 ASP H H 1 8.624 0.020 . 1 . . . . 114 ASP H . 18344 1 591 . 1 1 114 114 ASP C C 13 178.402 0.400 . 1 . . . . 114 ASP C . 18344 1 592 . 1 1 114 114 ASP CA C 13 55.818 0.400 . 1 . . . . 114 ASP CA . 18344 1 593 . 1 1 114 114 ASP CB C 13 37.642 0.400 . 1 . . . . 114 ASP CB . 18344 1 594 . 1 1 114 114 ASP N N 15 118.974 0.400 . 1 . . . . 114 ASP N . 18344 1 595 . 1 1 115 115 SER H H 1 8.196 0.020 . 1 . . . . 115 SER H . 18344 1 596 . 1 1 115 115 SER C C 13 176.113 0.400 . 1 . . . . 115 SER C . 18344 1 597 . 1 1 115 115 SER CA C 13 61.130 0.400 . 1 . . . . 115 SER CA . 18344 1 598 . 1 1 115 115 SER CB C 13 62.391 0.400 . 1 . . . . 115 SER CB . 18344 1 599 . 1 1 115 115 SER N N 15 118.023 0.400 . 1 . . . . 115 SER N . 18344 1 600 . 1 1 116 116 ILE H H 1 7.809 0.020 . 1 . . . . 116 ILE H . 18344 1 601 . 1 1 116 116 ILE C C 13 178.567 0.400 . 1 . . . . 116 ILE C . 18344 1 602 . 1 1 116 116 ILE CA C 13 64.302 0.400 . 1 . . . . 116 ILE CA . 18344 1 603 . 1 1 116 116 ILE CB C 13 36.548 0.400 . 1 . . . . 116 ILE CB . 18344 1 604 . 1 1 116 116 ILE N N 15 123.280 0.400 . 1 . . . . 116 ILE N . 18344 1 605 . 1 1 117 117 LEU H H 1 8.422 0.020 . 1 . . . . 117 LEU H . 18344 1 606 . 1 1 117 117 LEU C C 13 178.787 0.400 . 1 . . . . 117 LEU C . 18344 1 607 . 1 1 117 117 LEU CA C 13 57.433 0.400 . 1 . . . . 117 LEU CA . 18344 1 608 . 1 1 117 117 LEU CB C 13 40.807 0.400 . 1 . . . . 117 LEU CB . 18344 1 609 . 1 1 117 117 LEU N N 15 121.029 0.400 . 1 . . . . 117 LEU N . 18344 1 610 . 1 1 118 118 ALA H H 1 7.897 0.020 . 1 . . . . 118 ALA H . 18344 1 611 . 1 1 118 118 ALA C C 13 181.622 0.400 . 1 . . . . 118 ALA C . 18344 1 612 . 1 1 118 118 ALA CA C 13 55.000 0.400 . 1 . . . . 118 ALA CA . 18344 1 613 . 1 1 118 118 ALA CB C 13 17.351 0.400 . 1 . . . . 118 ALA CB . 18344 1 614 . 1 1 118 118 ALA N N 15 120.065 0.400 . 1 . . . . 118 ALA N . 18344 1 615 . 1 1 119 119 VAL H H 1 7.584 0.020 . 1 . . . . 119 VAL H . 18344 1 616 . 1 1 119 119 VAL C C 13 177.827 0.400 . 1 . . . . 119 VAL C . 18344 1 617 . 1 1 119 119 VAL CA C 13 66.669 0.400 . 1 . . . . 119 VAL CA . 18344 1 618 . 1 1 119 119 VAL CB C 13 31.366 0.400 . 1 . . . . 119 VAL CB . 18344 1 619 . 1 1 119 119 VAL N N 15 118.712 0.400 . 1 . . . . 119 VAL N . 18344 1 620 . 1 1 120 120 ARG H H 1 8.651 0.020 . 1 . . . . 120 ARG H . 18344 1 621 . 1 1 120 120 ARG C C 13 179.869 0.400 . 1 . . . . 120 ARG C . 18344 1 622 . 1 1 120 120 ARG CA C 13 61.251 0.400 . 1 . . . . 120 ARG CA . 18344 1 623 . 1 1 120 120 ARG CB C 13 29.211 0.400 . 1 . . . . 120 ARG CB . 18344 1 624 . 1 1 120 120 ARG N N 15 121.348 0.400 . 1 . . . . 120 ARG N . 18344 1 625 . 1 1 121 121 LYS H H 1 9.020 0.020 . 1 . . . . 121 LYS H . 18344 1 626 . 1 1 121 121 LYS C C 13 178.500 0.400 . 1 . . . . 121 LYS C . 18344 1 627 . 1 1 121 121 LYS CA C 13 59.403 0.400 . 1 . . . . 121 LYS CA . 18344 1 628 . 1 1 121 121 LYS CB C 13 31.639 0.400 . 1 . . . . 121 LYS CB . 18344 1 629 . 1 1 121 121 LYS N N 15 119.575 0.400 . 1 . . . . 121 LYS N . 18344 1 630 . 1 1 122 122 TYR H H 1 7.483 0.020 . 1 . . . . 122 TYR H . 18344 1 631 . 1 1 122 122 TYR C C 13 176.549 0.400 . 1 . . . . 122 TYR C . 18344 1 632 . 1 1 122 122 TYR CA C 13 60.314 0.400 . 1 . . . . 122 TYR CA . 18344 1 633 . 1 1 122 122 TYR CB C 13 37.332 0.400 . 1 . . . . 122 TYR CB . 18344 1 634 . 1 1 122 122 TYR N N 15 121.333 0.400 . 1 . . . . 122 TYR N . 18344 1 635 . 1 1 123 123 PHE H H 1 7.943 0.020 . 1 . . . . 123 PHE H . 18344 1 636 . 1 1 123 123 PHE C C 13 179.032 0.400 . 1 . . . . 123 PHE C . 18344 1 637 . 1 1 123 123 PHE CA C 13 62.825 0.400 . 1 . . . . 123 PHE CA . 18344 1 638 . 1 1 123 123 PHE CB C 13 38.482 0.400 . 1 . . . . 123 PHE CB . 18344 1 639 . 1 1 123 123 PHE N N 15 115.876 0.400 . 1 . . . . 123 PHE N . 18344 1 640 . 1 1 124 124 GLN H H 1 8.486 0.020 . 1 . . . . 124 GLN H . 18344 1 641 . 1 1 124 124 GLN HE21 H 1 6.809 0.020 . 2 . . . . 124 GLN HE21 . 18344 1 642 . 1 1 124 124 GLN HE22 H 1 7.483 0.020 . 2 . . . . 124 GLN HE22 . 18344 1 643 . 1 1 124 124 GLN C C 13 178.834 0.400 . 1 . . . . 124 GLN C . 18344 1 644 . 1 1 124 124 GLN CA C 13 58.875 0.400 . 1 . . . . 124 GLN CA . 18344 1 645 . 1 1 124 124 GLN CB C 13 27.199 0.400 . 1 . . . . 124 GLN CB . 18344 1 646 . 1 1 124 124 GLN N N 15 122.933 0.400 . 1 . . . . 124 GLN N . 18344 1 647 . 1 1 124 124 GLN NE2 N 15 110.727 0.400 . 1 . . . . 124 GLN NE2 . 18344 1 648 . 1 1 125 125 ARG H H 1 8.142 0.020 . 1 . . . . 125 ARG H . 18344 1 649 . 1 1 125 125 ARG C C 13 180.284 0.400 . 1 . . . . 125 ARG C . 18344 1 650 . 1 1 125 125 ARG CA C 13 60.586 0.400 . 1 . . . . 125 ARG CA . 18344 1 651 . 1 1 125 125 ARG CB C 13 29.691 0.400 . 1 . . . . 125 ARG CB . 18344 1 652 . 1 1 125 125 ARG N N 15 120.197 0.400 . 1 . . . . 125 ARG N . 18344 1 653 . 1 1 126 126 ILE H H 1 7.533 0.020 . 1 . . . . 126 ILE H . 18344 1 654 . 1 1 126 126 ILE C C 13 176.897 0.400 . 1 . . . . 126 ILE C . 18344 1 655 . 1 1 126 126 ILE CA C 13 65.177 0.400 . 1 . . . . 126 ILE CA . 18344 1 656 . 1 1 126 126 ILE CB C 13 36.915 0.400 . 1 . . . . 126 ILE CB . 18344 1 657 . 1 1 126 126 ILE N N 15 121.695 0.400 . 1 . . . . 126 ILE N . 18344 1 658 . 1 1 127 127 THR H H 1 8.298 0.020 . 1 . . . . 127 THR H . 18344 1 659 . 1 1 127 127 THR C C 13 176.816 0.400 . 1 . . . . 127 THR C . 18344 1 660 . 1 1 127 127 THR CA C 13 66.869 0.400 . 1 . . . . 127 THR CA . 18344 1 661 . 1 1 127 127 THR CB C 13 68.239 0.400 . 1 . . . . 127 THR CB . 18344 1 662 . 1 1 127 127 THR N N 15 115.417 0.400 . 1 . . . . 127 THR N . 18344 1 663 . 1 1 128 128 LEU H H 1 8.274 0.020 . 1 . . . . 128 LEU H . 18344 1 664 . 1 1 128 128 LEU C C 13 178.341 0.400 . 1 . . . . 128 LEU C . 18344 1 665 . 1 1 128 128 LEU CA C 13 57.550 0.400 . 1 . . . . 128 LEU CA . 18344 1 666 . 1 1 128 128 LEU CB C 13 41.002 0.400 . 1 . . . . 128 LEU CB . 18344 1 667 . 1 1 128 128 LEU N N 15 122.605 0.400 . 1 . . . . 128 LEU N . 18344 1 668 . 1 1 129 129 TYR H H 1 7.530 0.020 . 1 . . . . 129 TYR H . 18344 1 669 . 1 1 129 129 TYR C C 13 176.116 0.400 . 1 . . . . 129 TYR C . 18344 1 670 . 1 1 129 129 TYR CA C 13 60.547 0.400 . 1 . . . . 129 TYR CA . 18344 1 671 . 1 1 129 129 TYR CB C 13 38.272 0.400 . 1 . . . . 129 TYR CB . 18344 1 672 . 1 1 129 129 TYR N N 15 120.780 0.400 . 1 . . . . 129 TYR N . 18344 1 673 . 1 1 130 130 LEU H H 1 7.727 0.020 . 1 . . . . 130 LEU H . 18344 1 674 . 1 1 130 130 LEU C C 13 177.946 0.400 . 1 . . . . 130 LEU C . 18344 1 675 . 1 1 130 130 LEU CA C 13 57.588 0.400 . 1 . . . . 130 LEU CA . 18344 1 676 . 1 1 130 130 LEU CB C 13 40.856 0.400 . 1 . . . . 130 LEU CB . 18344 1 677 . 1 1 130 130 LEU N N 15 119.015 0.400 . 1 . . . . 130 LEU N . 18344 1 678 . 1 1 131 131 LYS H H 1 7.503 0.020 . 1 . . . . 131 LYS H . 18344 1 679 . 1 1 131 131 LYS C C 13 181.292 0.400 . 1 . . . . 131 LYS C . 18344 1 680 . 1 1 131 131 LYS CA C 13 59.245 0.400 . 1 . . . . 131 LYS CA . 18344 1 681 . 1 1 131 131 LYS CB C 13 32.007 0.400 . 1 . . . . 131 LYS CB . 18344 1 682 . 1 1 131 131 LYS N N 15 116.716 0.400 . 1 . . . . 131 LYS N . 18344 1 683 . 1 1 132 132 GLU H H 1 8.447 0.020 . 1 . . . . 132 GLU H . 18344 1 684 . 1 1 132 132 GLU C C 13 178.368 0.400 . 1 . . . . 132 GLU C . 18344 1 685 . 1 1 132 132 GLU CA C 13 58.229 0.400 . 1 . . . . 132 GLU CA . 18344 1 686 . 1 1 132 132 GLU CB C 13 27.385 0.400 . 1 . . . . 132 GLU CB . 18344 1 687 . 1 1 132 132 GLU N N 15 121.715 0.400 . 1 . . . . 132 GLU N . 18344 1 688 . 1 1 133 133 LYS H H 1 7.397 0.020 . 1 . . . . 133 LYS H . 18344 1 689 . 1 1 133 133 LYS C C 13 175.332 0.400 . 1 . . . . 133 LYS C . 18344 1 690 . 1 1 133 133 LYS CA C 13 53.589 0.400 . 1 . . . . 133 LYS CA . 18344 1 691 . 1 1 133 133 LYS CB C 13 31.456 0.400 . 1 . . . . 133 LYS CB . 18344 1 692 . 1 1 133 133 LYS N N 15 115.915 0.400 . 1 . . . . 133 LYS N . 18344 1 693 . 1 1 134 134 LYS H H 1 7.724 0.020 . 1 . . . . 134 LYS H . 18344 1 694 . 1 1 134 134 LYS C C 13 176.256 0.400 . 1 . . . . 134 LYS C . 18344 1 695 . 1 1 134 134 LYS CA C 13 56.755 0.400 . 1 . . . . 134 LYS CA . 18344 1 696 . 1 1 134 134 LYS CB C 13 28.302 0.400 . 1 . . . . 134 LYS CB . 18344 1 697 . 1 1 134 134 LYS N N 15 117.641 0.400 . 1 . . . . 134 LYS N . 18344 1 698 . 1 1 135 135 TYR H H 1 8.443 0.020 . 1 . . . . 135 TYR H . 18344 1 699 . 1 1 135 135 TYR C C 13 174.175 0.400 . 1 . . . . 135 TYR C . 18344 1 700 . 1 1 135 135 TYR CA C 13 59.264 0.400 . 1 . . . . 135 TYR CA . 18344 1 701 . 1 1 135 135 TYR CB C 13 34.135 0.400 . 1 . . . . 135 TYR CB . 18344 1 702 . 1 1 135 135 TYR N N 15 110.376 0.400 . 1 . . . . 135 TYR N . 18344 1 703 . 1 1 136 136 SER H H 1 6.752 0.020 . 1 . . . . 136 SER H . 18344 1 704 . 1 1 136 136 SER C C 13 172.351 0.400 . 1 . . . . 136 SER C . 18344 1 705 . 1 1 136 136 SER CA C 13 56.517 0.400 . 1 . . . . 136 SER CA . 18344 1 706 . 1 1 136 136 SER CB C 13 62.215 0.400 . 1 . . . . 136 SER CB . 18344 1 707 . 1 1 136 136 SER N N 15 113.528 0.400 . 1 . . . . 136 SER N . 18344 1 708 . 1 1 137 137 PRO C C 13 180.654 0.400 . 1 . . . . 137 PRO C . 18344 1 709 . 1 1 137 137 PRO CA C 13 65.767 0.400 . 1 . . . . 137 PRO CA . 18344 1 710 . 1 1 137 137 PRO CB C 13 31.471 0.400 . 1 . . . . 137 PRO CB . 18344 1 711 . 1 1 138 138 CYS H H 1 8.591 0.020 . 1 . . . . 138 CYS H . 18344 1 712 . 1 1 138 138 CYS C C 13 176.102 0.400 . 1 . . . . 138 CYS C . 18344 1 713 . 1 1 138 138 CYS CA C 13 56.658 0.400 . 1 . . . . 138 CYS CA . 18344 1 714 . 1 1 138 138 CYS CB C 13 36.098 0.400 . 1 . . . . 138 CYS CB . 18344 1 715 . 1 1 138 138 CYS N N 15 113.721 0.400 . 1 . . . . 138 CYS N . 18344 1 716 . 1 1 139 139 ALA H H 1 8.094 0.020 . 1 . . . . 139 ALA H . 18344 1 717 . 1 1 139 139 ALA C C 13 180.192 0.400 . 1 . . . . 139 ALA C . 18344 1 718 . 1 1 139 139 ALA CA C 13 54.097 0.400 . 1 . . . . 139 ALA CA . 18344 1 719 . 1 1 139 139 ALA CB C 13 18.313 0.400 . 1 . . . . 139 ALA CB . 18344 1 720 . 1 1 139 139 ALA N N 15 125.161 0.400 . 1 . . . . 139 ALA N . 18344 1 721 . 1 1 140 140 TRP H H 1 8.515 0.020 . 1 . . . . 140 TRP H . 18344 1 722 . 1 1 140 140 TRP HE1 H 1 9.650 0.020 . 1 . . . . 140 TRP HE1 . 18344 1 723 . 1 1 140 140 TRP C C 13 179.101 0.400 . 1 . . . . 140 TRP C . 18344 1 724 . 1 1 140 140 TRP CA C 13 59.723 0.400 . 1 . . . . 140 TRP CA . 18344 1 725 . 1 1 140 140 TRP CB C 13 29.174 0.400 . 1 . . . . 140 TRP CB . 18344 1 726 . 1 1 140 140 TRP N N 15 116.435 0.400 . 1 . . . . 140 TRP N . 18344 1 727 . 1 1 140 140 TRP NE1 N 15 126.810 0.400 . 1 . . . . 140 TRP NE1 . 18344 1 728 . 1 1 141 141 GLU H H 1 8.188 0.020 . 1 . . . . 141 GLU H . 18344 1 729 . 1 1 141 141 GLU C C 13 178.134 0.400 . 1 . . . . 141 GLU C . 18344 1 730 . 1 1 141 141 GLU CA C 13 57.331 0.400 . 1 . . . . 141 GLU CA . 18344 1 731 . 1 1 141 141 GLU CB C 13 27.698 0.400 . 1 . . . . 141 GLU CB . 18344 1 732 . 1 1 141 141 GLU N N 15 121.451 0.400 . 1 . . . . 141 GLU N . 18344 1 733 . 1 1 142 142 VAL H H 1 8.631 0.020 . 1 . . . . 142 VAL H . 18344 1 734 . 1 1 142 142 VAL C C 13 180.252 0.400 . 1 . . . . 142 VAL C . 18344 1 735 . 1 1 142 142 VAL CA C 13 66.593 0.400 . 1 . . . . 142 VAL CA . 18344 1 736 . 1 1 142 142 VAL CB C 13 31.153 0.400 . 1 . . . . 142 VAL CB . 18344 1 737 . 1 1 142 142 VAL N N 15 121.076 0.400 . 1 . . . . 142 VAL N . 18344 1 738 . 1 1 143 143 VAL H H 1 8.336 0.020 . 1 . . . . 143 VAL H . 18344 1 739 . 1 1 143 143 VAL C C 13 176.484 0.400 . 1 . . . . 143 VAL C . 18344 1 740 . 1 1 143 143 VAL CA C 13 67.285 0.400 . 1 . . . . 143 VAL CA . 18344 1 741 . 1 1 143 143 VAL CB C 13 30.944 0.400 . 1 . . . . 143 VAL CB . 18344 1 742 . 1 1 143 143 VAL N N 15 120.060 0.400 . 1 . . . . 143 VAL N . 18344 1 743 . 1 1 144 144 ARG H H 1 9.625 0.020 . 1 . . . . 144 ARG H . 18344 1 744 . 1 1 144 144 ARG C C 13 178.202 0.400 . 1 . . . . 144 ARG C . 18344 1 745 . 1 1 144 144 ARG CA C 13 60.624 0.400 . 1 . . . . 144 ARG CA . 18344 1 746 . 1 1 144 144 ARG CB C 13 29.251 0.400 . 1 . . . . 144 ARG CB . 18344 1 747 . 1 1 144 144 ARG N N 15 123.917 0.400 . 1 . . . . 144 ARG N . 18344 1 748 . 1 1 145 145 ALA H H 1 8.872 0.020 . 1 . . . . 145 ALA H . 18344 1 749 . 1 1 145 145 ALA C C 13 180.773 0.400 . 1 . . . . 145 ALA C . 18344 1 750 . 1 1 145 145 ALA CA C 13 54.890 0.400 . 1 . . . . 145 ALA CA . 18344 1 751 . 1 1 145 145 ALA CB C 13 17.647 0.400 . 1 . . . . 145 ALA CB . 18344 1 752 . 1 1 145 145 ALA N N 15 119.254 0.400 . 1 . . . . 145 ALA N . 18344 1 753 . 1 1 146 146 GLU H H 1 8.150 0.020 . 1 . . . . 146 GLU H . 18344 1 754 . 1 1 146 146 GLU C C 13 177.354 0.400 . 1 . . . . 146 GLU C . 18344 1 755 . 1 1 146 146 GLU CA C 13 57.872 0.400 . 1 . . . . 146 GLU CA . 18344 1 756 . 1 1 146 146 GLU CB C 13 27.200 0.400 . 1 . . . . 146 GLU CB . 18344 1 757 . 1 1 146 146 GLU N N 15 121.700 0.400 . 1 . . . . 146 GLU N . 18344 1 758 . 1 1 147 147 ILE H H 1 8.741 0.020 . 1 . . . . 147 ILE H . 18344 1 759 . 1 1 147 147 ILE C C 13 178.289 0.400 . 1 . . . . 147 ILE C . 18344 1 760 . 1 1 147 147 ILE CA C 13 60.860 0.400 . 1 . . . . 147 ILE CA . 18344 1 761 . 1 1 147 147 ILE CB C 13 34.709 0.400 . 1 . . . . 147 ILE CB . 18344 1 762 . 1 1 147 147 ILE N N 15 119.378 0.400 . 1 . . . . 147 ILE N . 18344 1 763 . 1 1 148 148 MET H H 1 8.452 0.020 . 1 . . . . 148 MET H . 18344 1 764 . 1 1 148 148 MET C C 13 178.208 0.400 . 1 . . . . 148 MET C . 18344 1 765 . 1 1 148 148 MET CA C 13 59.590 0.400 . 1 . . . . 148 MET CA . 18344 1 766 . 1 1 148 148 MET CB C 13 31.753 0.400 . 1 . . . . 148 MET CB . 18344 1 767 . 1 1 148 148 MET N N 15 119.314 0.400 . 1 . . . . 148 MET N . 18344 1 768 . 1 1 149 149 ARG H H 1 7.663 0.020 . 1 . . . . 149 ARG H . 18344 1 769 . 1 1 149 149 ARG C C 13 178.942 0.400 . 1 . . . . 149 ARG C . 18344 1 770 . 1 1 149 149 ARG CA C 13 59.026 0.400 . 1 . . . . 149 ARG CA . 18344 1 771 . 1 1 149 149 ARG CB C 13 29.647 0.400 . 1 . . . . 149 ARG CB . 18344 1 772 . 1 1 149 149 ARG N N 15 119.592 0.400 . 1 . . . . 149 ARG N . 18344 1 773 . 1 1 150 150 SER H H 1 9.204 0.020 . 1 . . . . 150 SER H . 18344 1 774 . 1 1 150 150 SER C C 13 177.292 0.400 . 1 . . . . 150 SER C . 18344 1 775 . 1 1 150 150 SER CA C 13 60.719 0.400 . 1 . . . . 150 SER CA . 18344 1 776 . 1 1 150 150 SER N N 15 117.925 0.400 . 1 . . . . 150 SER N . 18344 1 777 . 1 1 151 151 PHE H H 1 9.458 0.020 . 1 . . . . 151 PHE H . 18344 1 778 . 1 1 151 151 PHE C C 13 178.730 0.400 . 1 . . . . 151 PHE C . 18344 1 779 . 1 1 151 151 PHE CA C 13 61.110 0.400 . 1 . . . . 151 PHE CA . 18344 1 780 . 1 1 151 151 PHE CB C 13 38.626 0.400 . 1 . . . . 151 PHE CB . 18344 1 781 . 1 1 151 151 PHE N N 15 125.098 0.400 . 1 . . . . 151 PHE N . 18344 1 782 . 1 1 152 152 SER H H 1 7.852 0.020 . 1 . . . . 152 SER H . 18344 1 783 . 1 1 152 152 SER C C 13 175.909 0.400 . 1 . . . . 152 SER C . 18344 1 784 . 1 1 152 152 SER CA C 13 61.828 0.400 . 1 . . . . 152 SER CA . 18344 1 785 . 1 1 152 152 SER N N 15 115.801 0.400 . 1 . . . . 152 SER N . 18344 1 786 . 1 1 153 153 LEU H H 1 7.790 0.020 . 1 . . . . 153 LEU H . 18344 1 787 . 1 1 153 153 LEU C C 13 179.574 0.400 . 1 . . . . 153 LEU C . 18344 1 788 . 1 1 153 153 LEU CA C 13 57.255 0.400 . 1 . . . . 153 LEU CA . 18344 1 789 . 1 1 153 153 LEU CB C 13 41.835 0.400 . 1 . . . . 153 LEU CB . 18344 1 790 . 1 1 153 153 LEU N N 15 121.275 0.400 . 1 . . . . 153 LEU N . 18344 1 791 . 1 1 154 154 SER H H 1 7.888 0.020 . 1 . . . . 154 SER H . 18344 1 792 . 1 1 154 154 SER C C 13 174.238 0.400 . 1 . . . . 154 SER C . 18344 1 793 . 1 1 154 154 SER CA C 13 60.883 0.400 . 1 . . . . 154 SER CA . 18344 1 794 . 1 1 154 154 SER CB C 13 62.691 0.400 . 1 . . . . 154 SER CB . 18344 1 795 . 1 1 154 154 SER N N 15 113.810 0.400 . 1 . . . . 154 SER N . 18344 1 796 . 1 1 155 155 THR H H 1 7.179 0.020 . 1 . . . . 155 THR H . 18344 1 797 . 1 1 155 155 THR C C 13 174.831 0.400 . 1 . . . . 155 THR C . 18344 1 798 . 1 1 155 155 THR CA C 13 61.613 0.400 . 1 . . . . 155 THR CA . 18344 1 799 . 1 1 155 155 THR CB C 13 68.939 0.400 . 1 . . . . 155 THR CB . 18344 1 800 . 1 1 155 155 THR N N 15 109.305 0.400 . 1 . . . . 155 THR N . 18344 1 801 . 1 1 156 156 ASN H H 1 7.754 0.020 . 1 . . . . 156 ASN H . 18344 1 802 . 1 1 156 156 ASN HD21 H 1 6.835 0.020 . 2 . . . . 156 ASN HD21 . 18344 1 803 . 1 1 156 156 ASN HD22 H 1 7.484 0.020 . 2 . . . . 156 ASN HD22 . 18344 1 804 . 1 1 156 156 ASN C C 13 175.563 0.400 . 1 . . . . 156 ASN C . 18344 1 805 . 1 1 156 156 ASN CA C 13 53.768 0.400 . 1 . . . . 156 ASN CA . 18344 1 806 . 1 1 156 156 ASN CB C 13 37.537 0.400 . 1 . . . . 156 ASN CB . 18344 1 807 . 1 1 156 156 ASN N N 15 119.563 0.400 . 1 . . . . 156 ASN N . 18344 1 808 . 1 1 156 156 ASN ND2 N 15 111.888 0.400 . 1 . . . . 156 ASN ND2 . 18344 1 809 . 1 1 157 157 LEU H H 1 8.101 0.020 . 1 . . . . 157 LEU H . 18344 1 810 . 1 1 157 157 LEU C C 13 174.763 0.400 . 1 . . . . 157 LEU C . 18344 1 811 . 1 1 157 157 LEU CA C 13 55.578 0.400 . 1 . . . . 157 LEU CA . 18344 1 812 . 1 1 157 157 LEU CB C 13 41.858 0.400 . 1 . . . . 157 LEU CB . 18344 1 813 . 1 1 157 157 LEU N N 15 120.455 0.400 . 1 . . . . 157 LEU N . 18344 1 814 . 1 1 158 158 GLN H H 1 8.257 0.020 . 1 . . . . 158 GLN H . 18344 1 815 . 1 1 158 158 GLN HE21 H 1 6.749 0.020 . 2 . . . . 158 GLN HE21 . 18344 1 816 . 1 1 158 158 GLN HE22 H 1 7.447 0.020 . 2 . . . . 158 GLN HE22 . 18344 1 817 . 1 1 158 158 GLN C C 13 176.445 0.400 . 1 . . . . 158 GLN C . 18344 1 818 . 1 1 158 158 GLN CA C 13 56.148 0.400 . 1 . . . . 158 GLN CA . 18344 1 819 . 1 1 158 158 GLN CB C 13 28.378 0.400 . 1 . . . . 158 GLN CB . 18344 1 820 . 1 1 158 158 GLN N N 15 119.914 0.400 . 1 . . . . 158 GLN N . 18344 1 821 . 1 1 158 158 GLN NE2 N 15 111.543 0.400 . 1 . . . . 158 GLN NE2 . 18344 1 822 . 1 1 159 159 GLU H H 1 8.303 0.020 . 1 . . . . 159 GLU H . 18344 1 823 . 1 1 159 159 GLU C C 13 176.195 0.400 . 1 . . . . 159 GLU C . 18344 1 824 . 1 1 159 159 GLU CA C 13 55.996 0.400 . 1 . . . . 159 GLU CA . 18344 1 825 . 1 1 159 159 GLU CB C 13 28.560 0.400 . 1 . . . . 159 GLU CB . 18344 1 826 . 1 1 159 159 GLU N N 15 120.433 0.400 . 1 . . . . 159 GLU N . 18344 1 827 . 1 1 160 160 SER H H 1 8.124 0.020 . 1 . . . . 160 SER H . 18344 1 828 . 1 1 160 160 SER C C 13 174.231 0.400 . 1 . . . . 160 SER C . 18344 1 829 . 1 1 160 160 SER CA C 13 57.905 0.400 . 1 . . . . 160 SER CA . 18344 1 830 . 1 1 160 160 SER CB C 13 63.303 0.400 . 1 . . . . 160 SER CB . 18344 1 831 . 1 1 160 160 SER N N 15 115.564 0.400 . 1 . . . . 160 SER N . 18344 1 832 . 1 1 161 161 LEU H H 1 8.037 0.020 . 1 . . . . 161 LEU H . 18344 1 833 . 1 1 161 161 LEU C C 13 177.306 0.400 . 1 . . . . 161 LEU C . 18344 1 834 . 1 1 161 161 LEU CA C 13 54.858 0.400 . 1 . . . . 161 LEU CA . 18344 1 835 . 1 1 161 161 LEU CB C 13 41.710 0.400 . 1 . . . . 161 LEU CB . 18344 1 836 . 1 1 161 161 LEU N N 15 123.702 0.400 . 1 . . . . 161 LEU N . 18344 1 837 . 1 1 162 162 ARG H H 1 8.101 0.020 . 1 . . . . 162 ARG H . 18344 1 838 . 1 1 162 162 ARG C C 13 176.314 0.400 . 1 . . . . 162 ARG C . 18344 1 839 . 1 1 162 162 ARG CA C 13 55.624 0.400 . 1 . . . . 162 ARG CA . 18344 1 840 . 1 1 162 162 ARG CB C 13 30.163 0.400 . 1 . . . . 162 ARG CB . 18344 1 841 . 1 1 162 162 ARG N N 15 120.585 0.400 . 1 . . . . 162 ARG N . 18344 1 842 . 1 1 163 163 SER H H 1 8.199 0.020 . 1 . . . . 163 SER H . 18344 1 843 . 1 1 163 163 SER C C 13 174.215 0.400 . 1 . . . . 163 SER C . 18344 1 844 . 1 1 163 163 SER CA C 13 57.845 0.400 . 1 . . . . 163 SER CA . 18344 1 845 . 1 1 163 163 SER CB C 13 63.342 0.400 . 1 . . . . 163 SER CB . 18344 1 846 . 1 1 163 163 SER N N 15 116.624 0.400 . 1 . . . . 163 SER N . 18344 1 847 . 1 1 164 164 LYS H H 1 8.253 0.020 . 1 . . . . 164 LYS H . 18344 1 848 . 1 1 164 164 LYS C C 13 175.679 0.400 . 1 . . . . 164 LYS C . 18344 1 849 . 1 1 164 164 LYS CA C 13 55.833 0.400 . 1 . . . . 164 LYS CA . 18344 1 850 . 1 1 164 164 LYS CB C 13 32.428 0.400 . 1 . . . . 164 LYS CB . 18344 1 851 . 1 1 164 164 LYS N N 15 122.900 0.400 . 1 . . . . 164 LYS N . 18344 1 852 . 1 1 165 165 GLU H H 1 8.029 0.020 . 1 . . . . 165 GLU H . 18344 1 853 . 1 1 165 165 GLU C C 13 179.933 0.400 . 1 . . . . 165 GLU C . 18344 1 854 . 1 1 165 165 GLU CA C 13 56.379 0.400 . 1 . . . . 165 GLU CA . 18344 1 855 . 1 1 165 165 GLU CB C 13 29.016 0.400 . 1 . . . . 165 GLU CB . 18344 1 856 . 1 1 165 165 GLU N N 15 125.351 0.400 . 1 . . . . 165 GLU N . 18344 1 stop_ save_