data_18135 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18135 _Entry.Title ; A single GalNAc residue on Threonine-106 modifies the dynamics and the structure of Interferon alpha-2a around the glycosylation site. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-12 _Entry.Accession_date 2011-12-12 _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 'NMR, 20 STRUCTURES' _Entry.Details 'SOLUTION STRUCTURE OF GLYCOSYLATED HUMAN INTERFERON ALPHA-2A [WITH GALNAC AT THR 106].' _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 . . . 18135 2 Pascal Belcourt . . . 18135 3 Simon Sauve . . . 18135 4 Derek Hodgson . J. . 18135 5 Genevieve Gingras . . . 18135 6 Denis Brochu . . . 18135 7 Michel Gilbert . . . 18135 8 Yves Aubin . . . 18135 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18135 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CYTOKINE . 18135 DYNAMICS . 18135 GLYCOPROTEIN . 18135 INTERFERON . 18135 NMR . 18135 O-GLYCOSYLATION . 18135 'SIGNALING PROTEIN' . 18135 STRUCTURE . 18135 'TYPE I INTERFERONS' . 18135 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18135 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 731 18135 '15N chemical shifts' 178 18135 '1H chemical shifts' 1197 18135 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 . . 2013-03-12 2011-12-12 update BMRB 'update entry citation' 18135 1 . . 2012-12-04 2011-12-12 original author 'original release' 18135 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LMS 'BMRB Entry Tracking System' 18135 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18135 _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 . . . 18135 1 2 Pascal Belcourt . J.F. . 18135 1 3 Simon Sauve . . . 18135 1 4 Derek Hodgson . J. . 18135 1 5 Denis Brochu . . . 18135 1 6 Michel Gilbert . . . 18135 1 7 Yves Aubin . . . 18135 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18135 _Assembly.ID 1 _Assembly.Name 'GLYCOSYLATED HUMAN INTERFERON ALPHA-2A [WITH GALNAC AT THR 106]' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 $Interferon_Alpha-2a A . yes native no no . . . 18135 1 2 'SUGAR (N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE)' 2 $A2G B . yes native no no . . . 18135 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 . 1 CYS 1 1 SG . 1 . 1 CYS 98 98 SG . . . . . . . . . . 18135 1 2 disulfide single . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 138 138 SG . . . . . . . . . . 18135 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Interferon_Alpha-2a _Entity.Sf_category entity _Entity.Sf_framecode Interferon_Alpha-2a _Entity.Entry_ID 18135 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Interferon_Alpha-2a _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CDLPQTHSLGSRRTLMLLAQ MRKISLFSCLKDRHDFGFPQ EEFGNQFQKAETIPVLHEMI QQIFNLFSTKDSSAAWDETL LDKFYTELYQQLNDLEACVI QGVGVTETPLMKEDSILAVR KYFQRITLYLKEKKYSPCAW EVVRAEIMRSFSLSTNLQES LRSKE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'O-glycosylation at Thr106, with N-Acetyl-D-Galactosamine(alpha).' _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 man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19264.242 _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 . . . . 18135 1 2 no BMRB 18344 . ggIFN_alpha-2a . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 18135 1 3 no BMRB 4081 . Interferon_alpha-2a . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 18135 1 4 no PDB 1ITF . "Interferon Alpha-2a, Nmr, 24 Structures" . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 18135 1 5 no PDB 1RH2 . "Recombinant Human Interferon-Alpha 2b" . . . . . 100.00 165 98.79 99.39 6.00e-117 . . . . 18135 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 . . . . 18135 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 . . . . 18135 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 . . . . 18135 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 . . . . 18135 1 10 no PDB 3S9D . "Binary Complex Between Ifna2 And Ifnar2" . . . . . 100.00 168 97.58 98.18 1.32e-114 . . . . 18135 1 11 no PDB 3SE3 . "Human Ifna2-ifnar Ternary Complex" . . . . . 100.00 166 97.58 98.79 2.61e-115 . . . . 18135 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 . . . . 18135 1 13 no PDB 4Z5R . "Rontalizumab Fab Bound To Interferon-a2" . . . . . 100.00 165 100.00 100.00 4.96e-118 . . . . 18135 1 14 no DBJ BAJ20902 . "interferon, alpha 2 [synthetic construct]" . . . . . 100.00 188 99.39 100.00 8.72e-118 . . . . 18135 1 15 no EMBL CAA23805 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 188 100.00 100.00 3.23e-118 . . . . 18135 1 16 no EMBL CAA23809 . "interferon alpha-2 precursor [Homo sapiens]" . . . . . 100.00 182 99.39 100.00 1.28e-117 . . . . 18135 1 17 no EMBL CAA23810 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 188 100.00 100.00 3.23e-118 . . . . 18135 1 18 no EMBL CAA25770 . "unnamed protein product [synthetic construct]" . . . . . 100.00 166 99.39 100.00 1.36e-117 . . . . 18135 1 19 no EMBL CAA46954 . "leukocytic interferon alpha-2 [synthetic construct]" . . . . . 100.00 166 99.39 100.00 1.36e-117 . . . . 18135 1 20 no GB AAA52715 . "alpha 2 interferon, partial [Homo sapiens]" . . . . . 100.00 165 99.39 100.00 1.34e-117 . . . . 18135 1 21 no GB AAA59181 . "interferon [Homo sapiens]" . . . . . 100.00 188 100.00 100.00 3.23e-118 . . . . 18135 1 22 no GB AAB59402 . "interferon alpha-a [Homo sapiens]" . . . . . 100.00 188 99.39 100.00 8.72e-118 . . . . 18135 1 23 no GB AAC64915 . "interferon alpha 2b- 44LQ [synthetic construct]" . . . . . 100.00 165 98.18 98.79 5.13e-115 . . . . 18135 1 24 no GB AAH74936 . "Interferon, alpha 2 [Homo sapiens]" . . . . . 100.00 188 99.39 100.00 8.72e-118 . . . . 18135 1 25 no PRF 0611561A . interferon . . . . . 100.00 188 100.00 100.00 3.23e-118 . . . . 18135 1 26 no PRF 0906342A . "interferon C term modified" . . . . . 93.33 164 100.00 100.00 1.17e-109 . . . . 18135 1 27 no REF NP_000596 . "interferon alpha-2 precursor [Homo sapiens]" . . . . . 100.00 188 99.39 100.00 8.72e-118 . . . . 18135 1 28 no REF XP_003830724 . "PREDICTED: interferon alpha-2 [Pan paniscus]" . . . . . 100.00 188 98.18 100.00 1.04e-116 . . . . 18135 1 29 no REF XP_004047919 . "PREDICTED: interferon alpha-2 [Gorilla gorilla gorilla]" . . . . . 100.00 188 98.18 100.00 1.40e-116 . . . . 18135 1 30 no REF XP_528568 . "PREDICTED: interferon alpha-2 [Pan troglodytes]" . . . . . 100.00 188 98.18 100.00 1.04e-116 . . . . 18135 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 . . . . 18135 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 . 18135 1 2 . ASP . 18135 1 3 . LEU . 18135 1 4 . PRO . 18135 1 5 . GLN . 18135 1 6 . THR . 18135 1 7 . HIS . 18135 1 8 . SER . 18135 1 9 . LEU . 18135 1 10 . GLY . 18135 1 11 . SER . 18135 1 12 . ARG . 18135 1 13 . ARG . 18135 1 14 . THR . 18135 1 15 . LEU . 18135 1 16 . MET . 18135 1 17 . LEU . 18135 1 18 . LEU . 18135 1 19 . ALA . 18135 1 20 . GLN . 18135 1 21 . MET . 18135 1 22 . ARG . 18135 1 23 . LYS . 18135 1 24 . ILE . 18135 1 25 . SER . 18135 1 26 . LEU . 18135 1 27 . PHE . 18135 1 28 . SER . 18135 1 29 . CYS . 18135 1 30 . LEU . 18135 1 31 . LYS . 18135 1 32 . ASP . 18135 1 33 . ARG . 18135 1 34 . HIS . 18135 1 35 . ASP . 18135 1 36 . PHE . 18135 1 37 . GLY . 18135 1 38 . PHE . 18135 1 39 . PRO . 18135 1 40 . GLN . 18135 1 41 . GLU . 18135 1 42 . GLU . 18135 1 43 . PHE . 18135 1 44 . GLY . 18135 1 45 . ASN . 18135 1 46 . GLN . 18135 1 47 . PHE . 18135 1 48 . GLN . 18135 1 49 . LYS . 18135 1 50 . ALA . 18135 1 51 . GLU . 18135 1 52 . THR . 18135 1 53 . ILE . 18135 1 54 . PRO . 18135 1 55 . VAL . 18135 1 56 . LEU . 18135 1 57 . HIS . 18135 1 58 . GLU . 18135 1 59 . MET . 18135 1 60 . ILE . 18135 1 61 . GLN . 18135 1 62 . GLN . 18135 1 63 . ILE . 18135 1 64 . PHE . 18135 1 65 . ASN . 18135 1 66 . LEU . 18135 1 67 . PHE . 18135 1 68 . SER . 18135 1 69 . THR . 18135 1 70 . LYS . 18135 1 71 . ASP . 18135 1 72 . SER . 18135 1 73 . SER . 18135 1 74 . ALA . 18135 1 75 . ALA . 18135 1 76 . TRP . 18135 1 77 . ASP . 18135 1 78 . GLU . 18135 1 79 . THR . 18135 1 80 . LEU . 18135 1 81 . LEU . 18135 1 82 . ASP . 18135 1 83 . LYS . 18135 1 84 . PHE . 18135 1 85 . TYR . 18135 1 86 . THR . 18135 1 87 . GLU . 18135 1 88 . LEU . 18135 1 89 . TYR . 18135 1 90 . GLN . 18135 1 91 . GLN . 18135 1 92 . LEU . 18135 1 93 . ASN . 18135 1 94 . ASP . 18135 1 95 . LEU . 18135 1 96 . GLU . 18135 1 97 . ALA . 18135 1 98 . CYS . 18135 1 99 . VAL . 18135 1 100 . ILE . 18135 1 101 . GLN . 18135 1 102 . GLY . 18135 1 103 . VAL . 18135 1 104 . GLY . 18135 1 105 . VAL . 18135 1 106 . THR . 18135 1 107 . GLU . 18135 1 108 . THR . 18135 1 109 . PRO . 18135 1 110 . LEU . 18135 1 111 . MET . 18135 1 112 . LYS . 18135 1 113 . GLU . 18135 1 114 . ASP . 18135 1 115 . SER . 18135 1 116 . ILE . 18135 1 117 . LEU . 18135 1 118 . ALA . 18135 1 119 . VAL . 18135 1 120 . ARG . 18135 1 121 . LYS . 18135 1 122 . TYR . 18135 1 123 . PHE . 18135 1 124 . GLN . 18135 1 125 . ARG . 18135 1 126 . ILE . 18135 1 127 . THR . 18135 1 128 . LEU . 18135 1 129 . TYR . 18135 1 130 . LEU . 18135 1 131 . LYS . 18135 1 132 . GLU . 18135 1 133 . LYS . 18135 1 134 . LYS . 18135 1 135 . TYR . 18135 1 136 . SER . 18135 1 137 . PRO . 18135 1 138 . CYS . 18135 1 139 . ALA . 18135 1 140 . TRP . 18135 1 141 . GLU . 18135 1 142 . VAL . 18135 1 143 . VAL . 18135 1 144 . ARG . 18135 1 145 . ALA . 18135 1 146 . GLU . 18135 1 147 . ILE . 18135 1 148 . MET . 18135 1 149 . ARG . 18135 1 150 . SER . 18135 1 151 . PHE . 18135 1 152 . SER . 18135 1 153 . LEU . 18135 1 154 . SER . 18135 1 155 . THR . 18135 1 156 . ASN . 18135 1 157 . LEU . 18135 1 158 . GLN . 18135 1 159 . GLU . 18135 1 160 . SER . 18135 1 161 . LEU . 18135 1 162 . ARG . 18135 1 163 . SER . 18135 1 164 . LYS . 18135 1 165 . GLU . 18135 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 18135 1 . ASP 2 2 18135 1 . LEU 3 3 18135 1 . PRO 4 4 18135 1 . GLN 5 5 18135 1 . THR 6 6 18135 1 . HIS 7 7 18135 1 . SER 8 8 18135 1 . LEU 9 9 18135 1 . GLY 10 10 18135 1 . SER 11 11 18135 1 . ARG 12 12 18135 1 . ARG 13 13 18135 1 . THR 14 14 18135 1 . LEU 15 15 18135 1 . MET 16 16 18135 1 . LEU 17 17 18135 1 . LEU 18 18 18135 1 . ALA 19 19 18135 1 . GLN 20 20 18135 1 . MET 21 21 18135 1 . ARG 22 22 18135 1 . LYS 23 23 18135 1 . ILE 24 24 18135 1 . SER 25 25 18135 1 . LEU 26 26 18135 1 . PHE 27 27 18135 1 . SER 28 28 18135 1 . CYS 29 29 18135 1 . LEU 30 30 18135 1 . LYS 31 31 18135 1 . ASP 32 32 18135 1 . ARG 33 33 18135 1 . HIS 34 34 18135 1 . ASP 35 35 18135 1 . PHE 36 36 18135 1 . GLY 37 37 18135 1 . PHE 38 38 18135 1 . PRO 39 39 18135 1 . GLN 40 40 18135 1 . GLU 41 41 18135 1 . GLU 42 42 18135 1 . PHE 43 43 18135 1 . GLY 44 44 18135 1 . ASN 45 45 18135 1 . GLN 46 46 18135 1 . PHE 47 47 18135 1 . GLN 48 48 18135 1 . LYS 49 49 18135 1 . ALA 50 50 18135 1 . GLU 51 51 18135 1 . THR 52 52 18135 1 . ILE 53 53 18135 1 . PRO 54 54 18135 1 . VAL 55 55 18135 1 . LEU 56 56 18135 1 . HIS 57 57 18135 1 . GLU 58 58 18135 1 . MET 59 59 18135 1 . ILE 60 60 18135 1 . GLN 61 61 18135 1 . GLN 62 62 18135 1 . ILE 63 63 18135 1 . PHE 64 64 18135 1 . ASN 65 65 18135 1 . LEU 66 66 18135 1 . PHE 67 67 18135 1 . SER 68 68 18135 1 . THR 69 69 18135 1 . LYS 70 70 18135 1 . ASP 71 71 18135 1 . SER 72 72 18135 1 . SER 73 73 18135 1 . ALA 74 74 18135 1 . ALA 75 75 18135 1 . TRP 76 76 18135 1 . ASP 77 77 18135 1 . GLU 78 78 18135 1 . THR 79 79 18135 1 . LEU 80 80 18135 1 . LEU 81 81 18135 1 . ASP 82 82 18135 1 . LYS 83 83 18135 1 . PHE 84 84 18135 1 . TYR 85 85 18135 1 . THR 86 86 18135 1 . GLU 87 87 18135 1 . LEU 88 88 18135 1 . TYR 89 89 18135 1 . GLN 90 90 18135 1 . GLN 91 91 18135 1 . LEU 92 92 18135 1 . ASN 93 93 18135 1 . ASP 94 94 18135 1 . LEU 95 95 18135 1 . GLU 96 96 18135 1 . ALA 97 97 18135 1 . CYS 98 98 18135 1 . VAL 99 99 18135 1 . ILE 100 100 18135 1 . GLN 101 101 18135 1 . GLY 102 102 18135 1 . VAL 103 103 18135 1 . GLY 104 104 18135 1 . VAL 105 105 18135 1 . THR 106 106 18135 1 . GLU 107 107 18135 1 . THR 108 108 18135 1 . PRO 109 109 18135 1 . LEU 110 110 18135 1 . MET 111 111 18135 1 . LYS 112 112 18135 1 . GLU 113 113 18135 1 . ASP 114 114 18135 1 . SER 115 115 18135 1 . ILE 116 116 18135 1 . LEU 117 117 18135 1 . ALA 118 118 18135 1 . VAL 119 119 18135 1 . ARG 120 120 18135 1 . LYS 121 121 18135 1 . TYR 122 122 18135 1 . PHE 123 123 18135 1 . GLN 124 124 18135 1 . ARG 125 125 18135 1 . ILE 126 126 18135 1 . THR 127 127 18135 1 . LEU 128 128 18135 1 . TYR 129 129 18135 1 . LEU 130 130 18135 1 . LYS 131 131 18135 1 . GLU 132 132 18135 1 . LYS 133 133 18135 1 . LYS 134 134 18135 1 . TYR 135 135 18135 1 . SER 136 136 18135 1 . PRO 137 137 18135 1 . CYS 138 138 18135 1 . ALA 139 139 18135 1 . TRP 140 140 18135 1 . GLU 141 141 18135 1 . VAL 142 142 18135 1 . VAL 143 143 18135 1 . ARG 144 144 18135 1 . ALA 145 145 18135 1 . GLU 146 146 18135 1 . ILE 147 147 18135 1 . MET 148 148 18135 1 . ARG 149 149 18135 1 . SER 150 150 18135 1 . PHE 151 151 18135 1 . SER 152 152 18135 1 . LEU 153 153 18135 1 . SER 154 154 18135 1 . THR 155 155 18135 1 . ASN 156 156 18135 1 . LEU 157 157 18135 1 . GLN 158 158 18135 1 . GLU 159 159 18135 1 . SER 160 160 18135 1 . LEU 161 161 18135 1 . ARG 162 162 18135 1 . SER 163 163 18135 1 . LYS 164 164 18135 1 . GLU 165 165 18135 1 stop_ save_ save_A2G _Entity.Sf_category entity _Entity.Sf_framecode A2G _Entity.Entry_ID 18135 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name A2G _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID A2G _Entity.Nonpolymer_comp_label $chem_comp_A2G _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . A2G $chem_comp_A2G 18135 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18135 _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 $Interferon_Alpha-2a . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18135 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 18135 _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 $Interferon_Alpha-2a . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET-15b . . . 'Number of N-terminal Histidines: 10.' . . 18135 1 2 2 $A2G . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18135 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_A2G _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_A2G _Chem_comp.Entry_ID 18135 _Chem_comp.ID A2G _Chem_comp.Provenance . _Chem_comp.Name N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE _Chem_comp.Type SACCHARIDE _Chem_comp.BMRB_code . _Chem_comp.PDB_code A2G _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code A2G _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C8 H15 N O6' _Chem_comp.Formula_weight 221.208 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1D0H _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jan 9 11:53:54 2012 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(=O)NC1C(C(C(OC1O)CO)O)O SMILES 'OpenEye OEToolkits' 1.7.0 18135 A2G CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 18135 A2G CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O SMILES_CANONICAL CACTVS 3.370 18135 A2G CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O SMILES CACTVS 3.370 18135 A2G InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1 InChI InChI 1.03 18135 A2G O=C(NC1C(O)C(O)C(OC1O)CO)C SMILES ACDLabs 12.01 18135 A2G OVRNDRQMDRJTHS-CBQIKETKSA-N InChIKey InChI 1.03 18135 A2G stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 2-(acetylamino)-2-deoxy-alpha-D-galactopyranose 'SYSTEMATIC NAME' ACDLabs 12.01 18135 A2G N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 18135 A2G stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID O . O . . O . . N 0 . . . . no no . . . . -5.612 . 11.751 . 77.615 . -1.252 -1.038 -0.470 1 . 18135 A2G C1 . C1 . . C . . S 0 . . . . no no . . . . -5.734 . 10.437 . 77.081 . 0.092 -1.175 -0.005 2 . 18135 A2G O1 . O1 . . O . . N 0 . . . . no yes . . . . -7.066 . 10.103 . 76.864 . 0.084 -1.632 1.349 3 . 18135 A2G C2 . C2 . . C . . R 0 . . . . no no . . . . -4.970 . 9.427 . 77.919 . 0.798 0.181 -0.082 4 . 18135 A2G N2 . N2 . . N . . N 0 . . . . no no . . . . -5.227 . 8.059 . 77.552 . 2.158 0.055 0.449 5 . 18135 A2G C3 . C3 . . C . . R 0 . . . . no no . . . . -5.269 . 9.590 . 79.411 . 0.016 1.203 0.749 6 . 18135 A2G O3 . O3 . . O . . N 0 . . . . no no . . . . -4.423 . 8.760 . 80.199 . 0.627 2.489 0.624 7 . 18135 A2G C4 . C4 . . C . . R 0 . . . . no no . . . . -5.097 . 10.998 . 79.898 . -1.425 1.268 0.234 8 . 18135 A2G O4 . O4 . . O . . N 0 . . . . no no . . . . -3.702 . 11.231 . 80.050 . -1.428 1.730 -1.118 9 . 18135 A2G C5 . C5 . . C . . R 0 . . . . no no . . . . -5.779 . 12.014 . 78.997 . -2.045 -0.130 0.298 10 . 18135 A2G C6 . C6 . . C . . N 0 . . . . no no . . . . -5.250 . 13.419 . 79.214 . -3.465 -0.085 -0.271 11 . 18135 A2G O6 . O6 . . O . . N 0 . . . . no no . . . . -6.015 . 14.280 . 80.023 . -4.085 -1.362 -0.105 12 . 18135 A2G C7 . C7 . . C . . N 0 . . . . no no . . . . -4.545 . 7.133 . 76.933 . 3.158 -0.365 -0.351 13 . 18135 A2G O7 . O7 . . O . . N 0 . . . . no no . . . . -3.358 . 7.160 . 76.598 . 2.932 -0.639 -1.511 14 . 18135 A2G C8 . C8 . . C . . N 0 . . . . no no . . . . -5.417 . 5.932 . 76.619 . 4.556 -0.494 0.195 15 . 18135 A2G H1 . H1 . . H . . N 0 . . . . no no . . . . -5.259 . 10.414 . 76.089 . 0.620 -1.896 -0.629 16 . 18135 A2G HO1 . HO1 . . H . . N 0 . . . . no yes . . . . -7.119 . 9.224 . 76.508 . -0.350 -2.488 1.472 17 . 18135 A2G H2 . H2 . . H . . N 0 . . . . no no . . . . -3.911 . 9.643 . 77.716 . 0.841 0.511 -1.120 18 . 18135 A2G HN2 . HN2 . . H . . N 0 . . . . no no . . . . -6.134 . 7.747 . 77.835 . 2.338 0.275 1.377 19 . 18135 A2G H3 . H3 . . H . . N 0 . . . . no no . . . . -6.324 . 9.299 . 79.524 . 0.016 0.898 1.796 20 . 18135 A2G HO3 . HO3 . . H . . N 0 . . . . no no . . . . -4.629 . 8.880 . 81.119 . 0.183 3.186 1.125 21 . 18135 A2G H4 . H4 . . H . . N 0 . . . . no no . . . . -5.597 . 11.126 . 80.870 . -2.003 1.953 0.854 22 . 18135 A2G HO4 . HO4 . . H . . N 0 . . . . no no . . . . -3.560 . 12.118 . 80.359 . -2.310 1.796 -1.510 23 . 18135 A2G H5 . H5 . . H . . N 0 . . . . no no . . . . -6.840 . 11.931 . 79.275 . -2.079 -0.465 1.335 24 . 18135 A2G H6 . H6 . . H . . N 0 . . . . no no . . . . -4.265 . 13.320 . 79.694 . -4.044 0.671 0.258 25 . 18135 A2G H8 . H8 . . H . . N 0 . . . . no no . . . . -4.822 . 5.176 . 76.086 . 4.564 -0.206 1.247 26 . 18135 A2G H8A . H8A . . H . . N 0 . . . . no no . . . . -5.801 . 5.503 . 77.556 . 4.890 -1.527 0.099 27 . 18135 A2G H8B . H8B . . H . . N 0 . . . . no no . . . . -6.261 . 6.247 . 75.987 . 5.227 0.158 -0.365 28 . 18135 A2G H14 . H14 . . H . . N 0 . . . . no no . . . . -5.178 . 13.891 . 78.223 . -3.424 0.164 -1.331 29 . 18135 A2G H15 . H15 . . H . . N 0 . . . . no no . . . . -5.584 . 15.125 . 80.083 . -4.989 -1.407 -0.444 30 . 18135 A2G stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING O C5 no N 1 . 18135 A2G 2 . SING C1 O no N 2 . 18135 A2G 3 . SING C1 C2 no N 3 . 18135 A2G 4 . SING C1 H1 no N 4 . 18135 A2G 5 . SING O1 C1 no N 5 . 18135 A2G 6 . SING O1 HO1 no N 6 . 18135 A2G 7 . SING C2 C3 no N 7 . 18135 A2G 8 . SING C2 H2 no N 8 . 18135 A2G 9 . SING N2 C2 no N 9 . 18135 A2G 10 . SING N2 HN2 no N 10 . 18135 A2G 11 . SING C3 C4 no N 11 . 18135 A2G 12 . SING C3 O3 no N 12 . 18135 A2G 13 . SING C3 H3 no N 13 . 18135 A2G 14 . SING O3 HO3 no N 14 . 18135 A2G 15 . SING C4 O4 no N 15 . 18135 A2G 16 . SING C4 H4 no N 16 . 18135 A2G 17 . SING O4 HO4 no N 17 . 18135 A2G 18 . SING C5 C4 no N 18 . 18135 A2G 19 . SING C5 C6 no N 19 . 18135 A2G 20 . SING C5 H5 no N 20 . 18135 A2G 21 . SING C6 O6 no N 21 . 18135 A2G 22 . SING C6 H6 no N 22 . 18135 A2G 23 . SING C7 N2 no N 23 . 18135 A2G 24 . DOUB O7 C7 no N 24 . 18135 A2G 25 . SING C8 C7 no N 25 . 18135 A2G 26 . SING C8 H8 no N 26 . 18135 A2G 27 . SING C8 H8A no N 27 . 18135 A2G 28 . SING C8 H8B no N 28 . 18135 A2G 29 . SING C6 H14 no N 29 . 18135 A2G 30 . SING O6 H15 no N 30 . 18135 A2G stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18135 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffer: 25mM Deuturated Sodium Acetate at pH 3.5.' _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 'Interferon Alpha-2a (O-glycosylated)' '[U-100% 13C; U-100% 15N]' . . 1 $Interferon_Alpha-2a . . 0.85 . . mM . . . . 18135 1 2 'Denaturated Sodium Acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 18135 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18135 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18135 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18135 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffer: 25mM Deuturated Sodium Acetate at pH 3.5.' _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 'Interferon Alpha-2a (O-glycosylated)' '[U-100% 13C; U-100% 15N]' . . 1 $Interferon_Alpha-2a . . 0.53 . . mM . . . . 18135 2 2 'Deuturated Sodium Acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 18135 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18135 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18135 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18135 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffer: 25mM Deuturated Sodium Acetate at pH 3.5.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'Interferon Alpha-2a (O-glycosylated)' '[U-100% 13C; U-100% 15N]' . . 1 $Interferon_Alpha-2a . . 0.87 . . mM . . . . 18135 3 2 'Deuturated Sodium Acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 18135 3 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18135 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18135 _Sample_condition_list.ID 1 _Sample_condition_list.Details '25mM Deuturated Sodium Acetate 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 18135 1 pH 3.5 . pH 18135 1 pressure 1 . atm 18135 1 temperature 298.15 . K 18135 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18135 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details 'In CYANA residue library a modified threonine entry, where OG1 of threonine is covalently linked to C1 of N-Acetyl-D-Galactosamine (alpha), was inserted.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18135 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18135 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 18135 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18135 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _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 18135 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 18135 1 2 spectrometer_2 Bruker 'Avance III' . 600 . . . 18135 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 18135 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18135 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18135 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18135 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18135 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18135 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18135 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18135 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18135 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18135 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18135 1 11 '2D (hb)CB(cgcd)HD' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18135 1 12 '2D (hb)CB(cgcdce)HE' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18135 1 13 '4D (C13)HSQC-NOESY-(N15)HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18135 1 14 '4D (C13)HSQC-NOESY-(C13)HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18135 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 18135 _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 external indirect 0.25144953 . . . . . . . . . 18135 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 18135 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10132912 . . . . . . . . . 18135 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 18135 _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 '3D HNCO' . . . 18135 1 2 '3D HNCA' . . . 18135 1 3 '3D HNCACB' . . . 18135 1 4 '3D CBCA(CO)NH' . . . 18135 1 5 '3D HBHA(CO)NH' . . . 18135 1 6 '3D HCCH-TOCSY' . . . 18135 1 10 '3D C(CO)NH' . . . 18135 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 HA H 1 4.603 0.020 . 1 . . . A 1 CYS HA . 18135 1 2 . 1 1 1 1 CYS HB2 H 1 3.088 0.020 . 2 . . . A 1 CYS HB2 . 18135 1 3 . 1 1 1 1 CYS HB3 H 1 3.091 0.020 . 2 . . . A 1 CYS HB3 . 18135 1 4 . 1 1 1 1 CYS H H 1 8.912 0.020 . 1 . . . A 1 CYS H1 . 18135 1 5 . 1 1 1 1 CYS C C 13 172.971 0.400 . 1 . . . A 1 CYS C . 18135 1 6 . 1 1 1 1 CYS CA C 13 55.949 0.400 . 1 . . . A 1 CYS CA . 18135 1 7 . 1 1 1 1 CYS CB C 13 41.684 0.400 . 1 . . . A 1 CYS CB . 18135 1 8 . 1 1 1 1 CYS N N 15 121.242 0.400 . 1 . . . A 1 CYS N . 18135 1 9 . 1 1 2 2 ASP H H 1 8.773 0.020 . 1 . . . A 2 ASP H . 18135 1 10 . 1 1 2 2 ASP HA H 1 4.710 0.020 . 1 . . . A 2 ASP HA . 18135 1 11 . 1 1 2 2 ASP HB2 H 1 2.622 0.020 . 2 . . . A 2 ASP HB2 . 18135 1 12 . 1 1 2 2 ASP HB3 H 1 2.728 0.020 . 2 . . . A 2 ASP HB3 . 18135 1 13 . 1 1 2 2 ASP C C 13 174.758 0.400 . 1 . . . A 2 ASP C . 18135 1 14 . 1 1 2 2 ASP CA C 13 52.843 0.400 . 1 . . . A 2 ASP CA . 18135 1 15 . 1 1 2 2 ASP CB C 13 39.321 0.400 . 1 . . . A 2 ASP CB . 18135 1 16 . 1 1 2 2 ASP N N 15 125.691 0.400 . 1 . . . A 2 ASP N . 18135 1 17 . 1 1 3 3 LEU H H 1 8.164 0.020 . 1 . . . A 3 LEU H . 18135 1 18 . 1 1 3 3 LEU HA H 1 4.401 0.020 . 1 . . . A 3 LEU HA . 18135 1 19 . 1 1 3 3 LEU HB2 H 1 1.424 0.020 . 2 . . . A 3 LEU HB2 . 18135 1 20 . 1 1 3 3 LEU HB3 H 1 1.620 0.020 . 2 . . . A 3 LEU HB3 . 18135 1 21 . 1 1 3 3 LEU HG H 1 1.606 0.020 . 1 . . . A 3 LEU HG . 18135 1 22 . 1 1 3 3 LEU HD11 H 1 0.807 0.020 . 2 . . . A 3 LEU HD11 . 18135 1 23 . 1 1 3 3 LEU HD12 H 1 0.807 0.020 . 2 . . . A 3 LEU HD12 . 18135 1 24 . 1 1 3 3 LEU HD13 H 1 0.807 0.020 . 2 . . . A 3 LEU HD13 . 18135 1 25 . 1 1 3 3 LEU HD21 H 1 0.835 0.020 . 2 . . . A 3 LEU HD21 . 18135 1 26 . 1 1 3 3 LEU HD22 H 1 0.835 0.020 . 2 . . . A 3 LEU HD22 . 18135 1 27 . 1 1 3 3 LEU HD23 H 1 0.835 0.020 . 2 . . . A 3 LEU HD23 . 18135 1 28 . 1 1 3 3 LEU CA C 13 53.653 0.400 . 1 . . . A 3 LEU CA . 18135 1 29 . 1 1 3 3 LEU CB C 13 40.555 0.400 . 1 . . . A 3 LEU CB . 18135 1 30 . 1 1 3 3 LEU CG C 13 26.878 0.400 . 1 . . . A 3 LEU CG . 18135 1 31 . 1 1 3 3 LEU CD1 C 13 24.977 0.400 . 1 . . . A 3 LEU CD1 . 18135 1 32 . 1 1 3 3 LEU CD2 C 13 24.398 0.400 . 1 . . . A 3 LEU CD2 . 18135 1 33 . 1 1 3 3 LEU N N 15 123.957 0.400 . 1 . . . A 3 LEU N . 18135 1 34 . 1 1 4 4 PRO HA H 1 4.314 0.020 . 1 . . . A 4 PRO HA . 18135 1 35 . 1 1 4 4 PRO HB2 H 1 2.247 0.020 . 2 . . . A 4 PRO HB2 . 18135 1 36 . 1 1 4 4 PRO HB3 H 1 1.831 0.020 . 2 . . . A 4 PRO HB3 . 18135 1 37 . 1 1 4 4 PRO HG2 H 1 1.948 0.020 . 2 . . . A 4 PRO HG2 . 18135 1 38 . 1 1 4 4 PRO HG3 H 1 1.948 0.020 . 2 . . . A 4 PRO HG3 . 18135 1 39 . 1 1 4 4 PRO HD2 H 1 3.545 0.020 . 2 . . . A 4 PRO HD2 . 18135 1 40 . 1 1 4 4 PRO HD3 H 1 3.731 0.020 . 2 . . . A 4 PRO HD3 . 18135 1 41 . 1 1 4 4 PRO C C 13 176.213 0.400 . 1 . . . A 4 PRO C . 18135 1 42 . 1 1 4 4 PRO CA C 13 63.908 0.400 . 1 . . . A 4 PRO CA . 18135 1 43 . 1 1 4 4 PRO CB C 13 31.894 0.400 . 1 . . . A 4 PRO CB . 18135 1 44 . 1 1 4 4 PRO CG C 13 27.608 0.400 . 1 . . . A 4 PRO CG . 18135 1 45 . 1 1 4 4 PRO CD C 13 50.436 0.400 . 1 . . . A 4 PRO CD . 18135 1 46 . 1 1 5 5 GLN H H 1 8.767 0.020 . 1 . . . A 5 GLN H . 18135 1 47 . 1 1 5 5 GLN HA H 1 4.226 0.020 . 1 . . . A 5 GLN HA . 18135 1 48 . 1 1 5 5 GLN HB2 H 1 2.053 0.020 . 2 . . . A 5 GLN HB2 . 18135 1 49 . 1 1 5 5 GLN HB3 H 1 2.099 0.020 . 2 . . . A 5 GLN HB3 . 18135 1 50 . 1 1 5 5 GLN HG2 H 1 2.367 0.020 . 2 . . . A 5 GLN HG2 . 18135 1 51 . 1 1 5 5 GLN HG3 H 1 2.367 0.020 . 2 . . . A 5 GLN HG3 . 18135 1 52 . 1 1 5 5 GLN HE21 H 1 6.202 0.020 . 2 . . . A 5 GLN HE21 . 18135 1 53 . 1 1 5 5 GLN HE22 H 1 6.852 0.020 . 2 . . . A 5 GLN HE22 . 18135 1 54 . 1 1 5 5 GLN C C 13 176.995 0.400 . 1 . . . A 5 GLN C . 18135 1 55 . 1 1 5 5 GLN CA C 13 57.710 0.400 . 1 . . . A 5 GLN CA . 18135 1 56 . 1 1 5 5 GLN CB C 13 28.951 0.400 . 1 . . . A 5 GLN CB . 18135 1 57 . 1 1 5 5 GLN CG C 13 33.919 0.400 . 1 . . . A 5 GLN CG . 18135 1 58 . 1 1 5 5 GLN N N 15 121.621 0.400 . 1 . . . A 5 GLN N . 18135 1 59 . 1 1 5 5 GLN NE2 N 15 108.096 0.400 . 1 . . . A 5 GLN NE2 . 18135 1 60 . 1 1 6 6 THR H H 1 7.865 0.020 . 1 . . . A 6 THR H . 18135 1 61 . 1 1 6 6 THR HA H 1 4.135 0.020 . 1 . . . A 6 THR HA . 18135 1 62 . 1 1 6 6 THR HB H 1 4.141 0.020 . 1 . . . A 6 THR HB . 18135 1 63 . 1 1 6 6 THR HG21 H 1 1.087 0.020 . 1 . . . A 6 THR HG21 . 18135 1 64 . 1 1 6 6 THR HG22 H 1 1.087 0.020 . 1 . . . A 6 THR HG22 . 18135 1 65 . 1 1 6 6 THR HG23 H 1 1.087 0.020 . 1 . . . A 6 THR HG23 . 18135 1 66 . 1 1 6 6 THR C C 13 174.695 0.400 . 1 . . . A 6 THR C . 18135 1 67 . 1 1 6 6 THR CA C 13 62.661 0.400 . 1 . . . A 6 THR CA . 18135 1 68 . 1 1 6 6 THR CB C 13 69.365 0.400 . 1 . . . A 6 THR CB . 18135 1 69 . 1 1 6 6 THR CG2 C 13 21.764 0.400 . 1 . . . A 6 THR CG2 . 18135 1 70 . 1 1 6 6 THR N N 15 111.419 0.400 . 1 . . . A 6 THR N . 18135 1 71 . 1 1 7 7 HIS H H 1 8.567 0.020 . 1 . . . A 7 HIS H . 18135 1 72 . 1 1 7 7 HIS HA H 1 4.585 0.020 . 1 . . . A 7 HIS HA . 18135 1 73 . 1 1 7 7 HIS HB2 H 1 3.155 0.020 . 2 . . . A 7 HIS HB2 . 18135 1 74 . 1 1 7 7 HIS HB3 H 1 3.308 0.020 . 2 . . . A 7 HIS HB3 . 18135 1 75 . 1 1 7 7 HIS HD2 H 1 7.278 0.020 . 1 . . . A 7 HIS HD2 . 18135 1 76 . 1 1 7 7 HIS HE1 H 1 8.529 0.020 . 1 . . . A 7 HIS HE1 . 18135 1 77 . 1 1 7 7 HIS C C 13 174.980 0.400 . 1 . . . A 7 HIS C . 18135 1 78 . 1 1 7 7 HIS CA C 13 56.004 0.400 . 1 . . . A 7 HIS CA . 18135 1 79 . 1 1 7 7 HIS CB C 13 28.163 0.400 . 1 . . . A 7 HIS CB . 18135 1 80 . 1 1 7 7 HIS CD2 C 13 120.200 0.400 . 1 . . . A 7 HIS CD2 . 18135 1 81 . 1 1 7 7 HIS CE1 C 13 136.137 0.400 . 1 . . . A 7 HIS CE1 . 18135 1 82 . 1 1 7 7 HIS N N 15 119.137 0.400 . 1 . . . A 7 HIS N . 18135 1 83 . 1 1 8 8 SER H H 1 8.180 0.020 . 1 . . . A 8 SER H . 18135 1 84 . 1 1 8 8 SER HA H 1 4.363 0.020 . 1 . . . A 8 SER HA . 18135 1 85 . 1 1 8 8 SER HB2 H 1 3.888 0.020 . 2 . . . A 8 SER HB2 . 18135 1 86 . 1 1 8 8 SER HB3 H 1 3.994 0.020 . 2 . . . A 8 SER HB3 . 18135 1 87 . 1 1 8 8 SER C C 13 175.312 0.400 . 1 . . . A 8 SER C . 18135 1 88 . 1 1 8 8 SER CA C 13 58.969 0.400 . 1 . . . A 8 SER CA . 18135 1 89 . 1 1 8 8 SER CB C 13 63.439 0.400 . 1 . . . A 8 SER CB . 18135 1 90 . 1 1 8 8 SER N N 15 115.796 0.400 . 1 . . . A 8 SER N . 18135 1 91 . 1 1 9 9 LEU H H 1 8.404 0.020 . 1 . . . A 9 LEU H . 18135 1 92 . 1 1 9 9 LEU HA H 1 4.155 0.020 . 1 . . . A 9 LEU HA . 18135 1 93 . 1 1 9 9 LEU HB2 H 1 1.608 0.020 . 2 . . . A 9 LEU HB2 . 18135 1 94 . 1 1 9 9 LEU HB3 H 1 1.606 0.020 . 2 . . . A 9 LEU HB3 . 18135 1 95 . 1 1 9 9 LEU HG H 1 1.554 0.020 . 1 . . . A 9 LEU HG . 18135 1 96 . 1 1 9 9 LEU HD11 H 1 0.864 0.020 . 2 . . . A 9 LEU HD11 . 18135 1 97 . 1 1 9 9 LEU HD12 H 1 0.864 0.020 . 2 . . . A 9 LEU HD12 . 18135 1 98 . 1 1 9 9 LEU HD13 H 1 0.864 0.020 . 2 . . . A 9 LEU HD13 . 18135 1 99 . 1 1 9 9 LEU HD21 H 1 0.829 0.020 . 2 . . . A 9 LEU HD21 . 18135 1 100 . 1 1 9 9 LEU HD22 H 1 0.829 0.020 . 2 . . . A 9 LEU HD22 . 18135 1 101 . 1 1 9 9 LEU HD23 H 1 0.829 0.020 . 2 . . . A 9 LEU HD23 . 18135 1 102 . 1 1 9 9 LEU C C 13 178.568 0.400 . 1 . . . A 9 LEU C . 18135 1 103 . 1 1 9 9 LEU CA C 13 56.966 0.400 . 1 . . . A 9 LEU CA . 18135 1 104 . 1 1 9 9 LEU CB C 13 41.796 0.400 . 1 . . . A 9 LEU CB . 18135 1 105 . 1 1 9 9 LEU CG C 13 27.046 0.400 . 1 . . . A 9 LEU CG . 18135 1 106 . 1 1 9 9 LEU CD1 C 13 24.249 0.400 . 1 . . . A 9 LEU CD1 . 18135 1 107 . 1 1 9 9 LEU CD2 C 13 24.341 0.400 . 1 . . . A 9 LEU CD2 . 18135 1 108 . 1 1 9 9 LEU N N 15 123.844 0.400 . 1 . . . A 9 LEU N . 18135 1 109 . 1 1 10 10 GLY H H 1 8.438 0.020 . 1 . . . A 10 GLY H . 18135 1 110 . 1 1 10 10 GLY HA2 H 1 3.930 0.020 . 2 . . . A 10 GLY HA2 . 18135 1 111 . 1 1 10 10 GLY HA3 H 1 3.886 0.020 . 2 . . . A 10 GLY HA3 . 18135 1 112 . 1 1 10 10 GLY C C 13 174.586 0.400 . 1 . . . A 10 GLY C . 18135 1 113 . 1 1 10 10 GLY CA C 13 46.905 0.400 . 1 . . . A 10 GLY CA . 18135 1 114 . 1 1 10 10 GLY N N 15 107.582 0.400 . 1 . . . A 10 GLY N . 18135 1 115 . 1 1 11 11 SER H H 1 8.249 0.020 . 1 . . . A 11 SER H . 18135 1 116 . 1 1 11 11 SER HA H 1 4.156 0.020 . 1 . . . A 11 SER HA . 18135 1 117 . 1 1 11 11 SER HB2 H 1 3.866 0.020 . 2 . . . A 11 SER HB2 . 18135 1 118 . 1 1 11 11 SER HB3 H 1 3.866 0.020 . 2 . . . A 11 SER HB3 . 18135 1 119 . 1 1 11 11 SER C C 13 175.749 0.400 . 1 . . . A 11 SER C . 18135 1 120 . 1 1 11 11 SER CA C 13 61.299 0.400 . 1 . . . A 11 SER CA . 18135 1 121 . 1 1 11 11 SER CB C 13 62.653 0.400 . 1 . . . A 11 SER CB . 18135 1 122 . 1 1 11 11 SER N N 15 118.806 0.400 . 1 . . . A 11 SER N . 18135 1 123 . 1 1 12 12 ARG H H 1 8.027 0.020 . 1 . . . A 12 ARG H . 18135 1 124 . 1 1 12 12 ARG HA H 1 3.954 0.020 . 1 . . . A 12 ARG HA . 18135 1 125 . 1 1 12 12 ARG HB2 H 1 1.801 0.020 . 2 . . . A 12 ARG HB2 . 18135 1 126 . 1 1 12 12 ARG HB3 H 1 1.801 0.020 . 2 . . . A 12 ARG HB3 . 18135 1 127 . 1 1 12 12 ARG HG2 H 1 1.535 0.020 . 2 . . . A 12 ARG HG2 . 18135 1 128 . 1 1 12 12 ARG HG3 H 1 1.658 0.020 . 2 . . . A 12 ARG HG3 . 18135 1 129 . 1 1 12 12 ARG HD2 H 1 3.125 0.020 . 2 . . . A 12 ARG HD2 . 18135 1 130 . 1 1 12 12 ARG HD3 H 1 3.125 0.020 . 2 . . . A 12 ARG HD3 . 18135 1 131 . 1 1 12 12 ARG C C 13 178.283 0.400 . 1 . . . A 12 ARG C . 18135 1 132 . 1 1 12 12 ARG CA C 13 59.830 0.400 . 1 . . . A 12 ARG CA . 18135 1 133 . 1 1 12 12 ARG CB C 13 29.584 0.400 . 1 . . . A 12 ARG CB . 18135 1 134 . 1 1 12 12 ARG CG C 13 27.903 0.400 . 1 . . . A 12 ARG CG . 18135 1 135 . 1 1 12 12 ARG CD C 13 43.308 0.400 . 1 . . . A 12 ARG CD . 18135 1 136 . 1 1 12 12 ARG N N 15 121.986 0.400 . 1 . . . A 12 ARG N . 18135 1 137 . 1 1 13 13 ARG H H 1 8.437 0.020 . 1 . . . A 13 ARG H . 18135 1 138 . 1 1 13 13 ARG HA H 1 3.839 0.020 . 1 . . . A 13 ARG HA . 18135 1 139 . 1 1 13 13 ARG HB2 H 1 1.686 0.020 . 2 . . . A 13 ARG HB2 . 18135 1 140 . 1 1 13 13 ARG HB3 H 1 1.427 0.020 . 2 . . . A 13 ARG HB3 . 18135 1 141 . 1 1 13 13 ARG HD2 H 1 3.128 0.020 . 2 . . . A 13 ARG HD2 . 18135 1 142 . 1 1 13 13 ARG HD3 H 1 3.128 0.020 . 2 . . . A 13 ARG HD3 . 18135 1 143 . 1 1 13 13 ARG C C 13 178.480 0.400 . 1 . . . A 13 ARG C . 18135 1 144 . 1 1 13 13 ARG CA C 13 60.491 0.400 . 1 . . . A 13 ARG CA . 18135 1 145 . 1 1 13 13 ARG CB C 13 30.082 0.400 . 1 . . . A 13 ARG CB . 18135 1 146 . 1 1 13 13 ARG CD C 13 43.698 0.400 . 1 . . . A 13 ARG CD . 18135 1 147 . 1 1 13 13 ARG N N 15 119.432 0.400 . 1 . . . A 13 ARG N . 18135 1 148 . 1 1 14 14 THR H H 1 7.957 0.020 . 1 . . . A 14 THR H . 18135 1 149 . 1 1 14 14 THR HA H 1 3.532 0.020 . 1 . . . A 14 THR HA . 18135 1 150 . 1 1 14 14 THR HB H 1 4.192 0.020 . 1 . . . A 14 THR HB . 18135 1 151 . 1 1 14 14 THR HG21 H 1 0.513 0.020 . 1 . . . A 14 THR HG21 . 18135 1 152 . 1 1 14 14 THR HG22 H 1 0.513 0.020 . 1 . . . A 14 THR HG22 . 18135 1 153 . 1 1 14 14 THR HG23 H 1 0.513 0.020 . 1 . . . A 14 THR HG23 . 18135 1 154 . 1 1 14 14 THR C C 13 175.584 0.400 . 1 . . . A 14 THR C . 18135 1 155 . 1 1 14 14 THR CA C 13 68.036 0.400 . 1 . . . A 14 THR CA . 18135 1 156 . 1 1 14 14 THR CB C 13 67.969 0.400 . 1 . . . A 14 THR CB . 18135 1 157 . 1 1 14 14 THR CG2 C 13 21.534 0.400 . 1 . . . A 14 THR CG2 . 18135 1 158 . 1 1 14 14 THR N N 15 116.879 0.400 . 1 . . . A 14 THR N . 18135 1 159 . 1 1 15 15 LEU H H 1 7.550 0.020 . 1 . . . A 15 LEU H . 18135 1 160 . 1 1 15 15 LEU HA H 1 3.946 0.020 . 1 . . . A 15 LEU HA . 18135 1 161 . 1 1 15 15 LEU HB2 H 1 1.579 0.020 . 2 . . . A 15 LEU HB2 . 18135 1 162 . 1 1 15 15 LEU HB3 H 1 1.808 0.020 . 2 . . . A 15 LEU HB3 . 18135 1 163 . 1 1 15 15 LEU HG H 1 1.709 0.020 . 1 . . . A 15 LEU HG . 18135 1 164 . 1 1 15 15 LEU HD11 H 1 0.868 0.020 . 2 . . . A 15 LEU HD11 . 18135 1 165 . 1 1 15 15 LEU HD12 H 1 0.868 0.020 . 2 . . . A 15 LEU HD12 . 18135 1 166 . 1 1 15 15 LEU HD13 H 1 0.868 0.020 . 2 . . . A 15 LEU HD13 . 18135 1 167 . 1 1 15 15 LEU HD21 H 1 0.900 0.020 . 2 . . . A 15 LEU HD21 . 18135 1 168 . 1 1 15 15 LEU HD22 H 1 0.900 0.020 . 2 . . . A 15 LEU HD22 . 18135 1 169 . 1 1 15 15 LEU HD23 H 1 0.900 0.020 . 2 . . . A 15 LEU HD23 . 18135 1 170 . 1 1 15 15 LEU C C 13 178.652 0.400 . 1 . . . A 15 LEU C . 18135 1 171 . 1 1 15 15 LEU CA C 13 58.088 0.400 . 1 . . . A 15 LEU CA . 18135 1 172 . 1 1 15 15 LEU CB C 13 41.554 0.400 . 1 . . . A 15 LEU CB . 18135 1 173 . 1 1 15 15 LEU CG C 13 26.982 0.400 . 1 . . . A 15 LEU CG . 18135 1 174 . 1 1 15 15 LEU CD1 C 13 24.049 0.400 . 1 . . . A 15 LEU CD1 . 18135 1 175 . 1 1 15 15 LEU CD2 C 13 25.040 0.400 . 1 . . . A 15 LEU CD2 . 18135 1 176 . 1 1 15 15 LEU N N 15 120.252 0.400 . 1 . . . A 15 LEU N . 18135 1 177 . 1 1 16 16 MET H H 1 7.985 0.020 . 1 . . . A 16 MET H . 18135 1 178 . 1 1 16 16 MET HA H 1 4.023 0.020 . 1 . . . A 16 MET HA . 18135 1 179 . 1 1 16 16 MET HB2 H 1 2.099 0.020 . 2 . . . A 16 MET HB2 . 18135 1 180 . 1 1 16 16 MET HB3 H 1 2.099 0.020 . 2 . . . A 16 MET HB3 . 18135 1 181 . 1 1 16 16 MET HG2 H 1 2.431 0.020 . 2 . . . A 16 MET HG2 . 18135 1 182 . 1 1 16 16 MET HG3 H 1 2.612 0.020 . 2 . . . A 16 MET HG3 . 18135 1 183 . 1 1 16 16 MET HE1 H 1 1.948 0.020 . 1 . . . A 16 MET HE1 . 18135 1 184 . 1 1 16 16 MET HE2 H 1 1.948 0.020 . 1 . . . A 16 MET HE2 . 18135 1 185 . 1 1 16 16 MET HE3 H 1 1.948 0.020 . 1 . . . A 16 MET HE3 . 18135 1 186 . 1 1 16 16 MET C C 13 178.718 0.400 . 1 . . . A 16 MET C . 18135 1 187 . 1 1 16 16 MET CA C 13 58.513 0.400 . 1 . . . A 16 MET CA . 18135 1 188 . 1 1 16 16 MET CB C 13 32.150 0.400 . 1 . . . A 16 MET CB . 18135 1 189 . 1 1 16 16 MET CG C 13 31.657 0.400 . 1 . . . A 16 MET CG . 18135 1 190 . 1 1 16 16 MET CE C 13 16.960 0.400 . 1 . . . A 16 MET CE . 18135 1 191 . 1 1 16 16 MET N N 15 118.788 0.400 . 1 . . . A 16 MET N . 18135 1 192 . 1 1 17 17 LEU H H 1 7.829 0.020 . 1 . . . A 17 LEU H . 18135 1 193 . 1 1 17 17 LEU HA H 1 3.972 0.020 . 1 . . . A 17 LEU HA . 18135 1 194 . 1 1 17 17 LEU HB2 H 1 1.973 0.020 . 2 . . . A 17 LEU HB2 . 18135 1 195 . 1 1 17 17 LEU HB3 H 1 0.916 0.020 . 2 . . . A 17 LEU HB3 . 18135 1 196 . 1 1 17 17 LEU HG H 1 1.686 0.020 . 1 . . . A 17 LEU HG . 18135 1 197 . 1 1 17 17 LEU HD11 H 1 0.818 0.020 . 2 . . . A 17 LEU HD11 . 18135 1 198 . 1 1 17 17 LEU HD12 H 1 0.818 0.020 . 2 . . . A 17 LEU HD12 . 18135 1 199 . 1 1 17 17 LEU HD13 H 1 0.818 0.020 . 2 . . . A 17 LEU HD13 . 18135 1 200 . 1 1 17 17 LEU HD21 H 1 0.778 0.020 . 2 . . . A 17 LEU HD21 . 18135 1 201 . 1 1 17 17 LEU HD22 H 1 0.778 0.020 . 2 . . . A 17 LEU HD22 . 18135 1 202 . 1 1 17 17 LEU HD23 H 1 0.778 0.020 . 2 . . . A 17 LEU HD23 . 18135 1 203 . 1 1 17 17 LEU C C 13 178.238 0.400 . 1 . . . A 17 LEU C . 18135 1 204 . 1 1 17 17 LEU CA C 13 57.727 0.400 . 1 . . . A 17 LEU CA . 18135 1 205 . 1 1 17 17 LEU CB C 13 42.135 0.400 . 1 . . . A 17 LEU CB . 18135 1 206 . 1 1 17 17 LEU CG C 13 23.182 0.400 . 1 . . . A 17 LEU CG . 18135 1 207 . 1 1 17 17 LEU CD1 C 13 26.260 0.400 . 1 . . . A 17 LEU CD1 . 18135 1 208 . 1 1 17 17 LEU CD2 C 13 22.980 0.400 . 1 . . . A 17 LEU CD2 . 18135 1 209 . 1 1 17 17 LEU N N 15 120.644 0.400 . 1 . . . A 17 LEU N . 18135 1 210 . 1 1 18 18 LEU H H 1 7.499 0.020 . 1 . . . A 18 LEU H . 18135 1 211 . 1 1 18 18 LEU HA H 1 3.506 0.020 . 1 . . . A 18 LEU HA . 18135 1 212 . 1 1 18 18 LEU HB2 H 1 1.583 0.020 . 2 . . . A 18 LEU HB2 . 18135 1 213 . 1 1 18 18 LEU HB3 H 1 1.095 0.020 . 2 . . . A 18 LEU HB3 . 18135 1 214 . 1 1 18 18 LEU HG H 1 1.115 0.020 . 1 . . . A 18 LEU HG . 18135 1 215 . 1 1 18 18 LEU HD11 H 1 0.380 0.020 . 2 . . . A 18 LEU HD11 . 18135 1 216 . 1 1 18 18 LEU HD12 H 1 0.380 0.020 . 2 . . . A 18 LEU HD12 . 18135 1 217 . 1 1 18 18 LEU HD13 H 1 0.380 0.020 . 2 . . . A 18 LEU HD13 . 18135 1 218 . 1 1 18 18 LEU HD21 H 1 0.153 0.020 . 2 . . . A 18 LEU HD21 . 18135 1 219 . 1 1 18 18 LEU HD22 H 1 0.153 0.020 . 2 . . . A 18 LEU HD22 . 18135 1 220 . 1 1 18 18 LEU HD23 H 1 0.153 0.020 . 2 . . . A 18 LEU HD23 . 18135 1 221 . 1 1 18 18 LEU C C 13 175.739 0.400 . 1 . . . A 18 LEU C . 18135 1 222 . 1 1 18 18 LEU CA C 13 57.656 0.400 . 1 . . . A 18 LEU CA . 18135 1 223 . 1 1 18 18 LEU CB C 13 42.242 0.400 . 1 . . . A 18 LEU CB . 18135 1 224 . 1 1 18 18 LEU CG C 13 27.441 0.400 . 1 . . . A 18 LEU CG . 18135 1 225 . 1 1 18 18 LEU CD1 C 13 25.313 0.400 . 1 . . . A 18 LEU CD1 . 18135 1 226 . 1 1 18 18 LEU CD2 C 13 23.722 0.400 . 1 . . . A 18 LEU CD2 . 18135 1 227 . 1 1 18 18 LEU N N 15 118.280 0.400 . 1 . . . A 18 LEU N . 18135 1 228 . 1 1 19 19 ALA H H 1 7.950 0.020 . 1 . . . A 19 ALA H . 18135 1 229 . 1 1 19 19 ALA HA H 1 3.837 0.020 . 1 . . . A 19 ALA HA . 18135 1 230 . 1 1 19 19 ALA HB1 H 1 1.406 0.020 . 1 . . . A 19 ALA HB1 . 18135 1 231 . 1 1 19 19 ALA HB2 H 1 1.406 0.020 . 1 . . . A 19 ALA HB2 . 18135 1 232 . 1 1 19 19 ALA HB3 H 1 1.406 0.020 . 1 . . . A 19 ALA HB3 . 18135 1 233 . 1 1 19 19 ALA C C 13 180.736 0.400 . 1 . . . A 19 ALA C . 18135 1 234 . 1 1 19 19 ALA CA C 13 55.066 0.400 . 1 . . . A 19 ALA CA . 18135 1 235 . 1 1 19 19 ALA CB C 13 18.077 0.400 . 1 . . . A 19 ALA CB . 18135 1 236 . 1 1 19 19 ALA N N 15 121.961 0.400 . 1 . . . A 19 ALA N . 18135 1 237 . 1 1 20 20 GLN H H 1 7.958 0.020 . 1 . . . A 20 GLN H . 18135 1 238 . 1 1 20 20 GLN HA H 1 3.935 0.020 . 1 . . . A 20 GLN HA . 18135 1 239 . 1 1 20 20 GLN HB2 H 1 2.226 0.020 . 2 . . . A 20 GLN HB2 . 18135 1 240 . 1 1 20 20 GLN HB3 H 1 1.979 0.020 . 2 . . . A 20 GLN HB3 . 18135 1 241 . 1 1 20 20 GLN HG2 H 1 2.325 0.020 . 2 . . . A 20 GLN HG2 . 18135 1 242 . 1 1 20 20 GLN HG3 H 1 2.539 0.020 . 2 . . . A 20 GLN HG3 . 18135 1 243 . 1 1 20 20 GLN HE21 H 1 6.468 0.020 . 2 . . . A 20 GLN HE21 . 18135 1 244 . 1 1 20 20 GLN HE22 H 1 7.181 0.020 . 2 . . . A 20 GLN HE22 . 18135 1 245 . 1 1 20 20 GLN C C 13 176.945 0.400 . 1 . . . A 20 GLN C . 18135 1 246 . 1 1 20 20 GLN CA C 13 58.015 0.400 . 1 . . . A 20 GLN CA . 18135 1 247 . 1 1 20 20 GLN CB C 13 28.474 0.400 . 1 . . . A 20 GLN CB . 18135 1 248 . 1 1 20 20 GLN CG C 13 34.556 0.400 . 1 . . . A 20 GLN CG . 18135 1 249 . 1 1 20 20 GLN N N 15 118.605 0.400 . 1 . . . A 20 GLN N . 18135 1 250 . 1 1 20 20 GLN NE2 N 15 109.139 0.400 . 1 . . . A 20 GLN NE2 . 18135 1 251 . 1 1 21 21 MET H H 1 7.420 0.020 . 1 . . . A 21 MET H . 18135 1 252 . 1 1 21 21 MET HA H 1 3.861 0.020 . 1 . . . A 21 MET HA . 18135 1 253 . 1 1 21 21 MET HB2 H 1 1.484 0.020 . 2 . . . A 21 MET HB2 . 18135 1 254 . 1 1 21 21 MET HB3 H 1 1.588 0.020 . 2 . . . A 21 MET HB3 . 18135 1 255 . 1 1 21 21 MET HG2 H 1 2.039 0.020 . 2 . . . A 21 MET HG2 . 18135 1 256 . 1 1 21 21 MET HG3 H 1 2.116 0.020 . 2 . . . A 21 MET HG3 . 18135 1 257 . 1 1 21 21 MET HE1 H 1 0.380 0.020 . 1 . . . A 21 MET HE1 . 18135 1 258 . 1 1 21 21 MET HE2 H 1 0.380 0.020 . 1 . . . A 21 MET HE2 . 18135 1 259 . 1 1 21 21 MET HE3 H 1 0.380 0.020 . 1 . . . A 21 MET HE3 . 18135 1 260 . 1 1 21 21 MET C C 13 174.671 0.400 . 1 . . . A 21 MET C . 18135 1 261 . 1 1 21 21 MET CA C 13 57.111 0.400 . 1 . . . A 21 MET CA . 18135 1 262 . 1 1 21 21 MET CB C 13 34.073 0.400 . 1 . . . A 21 MET CB . 18135 1 263 . 1 1 21 21 MET CG C 13 32.700 0.400 . 1 . . . A 21 MET CG . 18135 1 264 . 1 1 21 21 MET CE C 13 15.171 0.400 . 1 . . . A 21 MET CE . 18135 1 265 . 1 1 21 21 MET N N 15 116.693 0.400 . 1 . . . A 21 MET N . 18135 1 266 . 1 1 22 22 ARG H H 1 6.484 0.020 . 1 . . . A 22 ARG H . 18135 1 267 . 1 1 22 22 ARG HA H 1 3.853 0.020 . 1 . . . A 22 ARG HA . 18135 1 268 . 1 1 22 22 ARG HB2 H 1 1.425 0.020 . 2 . . . A 22 ARG HB2 . 18135 1 269 . 1 1 22 22 ARG HB3 H 1 1.710 0.020 . 2 . . . A 22 ARG HB3 . 18135 1 270 . 1 1 22 22 ARG HG2 H 1 1.439 0.020 . 2 . . . A 22 ARG HG2 . 18135 1 271 . 1 1 22 22 ARG HG3 H 1 2.051 0.020 . 2 . . . A 22 ARG HG3 . 18135 1 272 . 1 1 22 22 ARG HD2 H 1 3.050 0.020 . 2 . . . A 22 ARG HD2 . 18135 1 273 . 1 1 22 22 ARG HD3 H 1 3.297 0.020 . 2 . . . A 22 ARG HD3 . 18135 1 274 . 1 1 22 22 ARG C C 13 175.950 0.400 . 1 . . . A 22 ARG C . 18135 1 275 . 1 1 22 22 ARG CA C 13 58.452 0.400 . 1 . . . A 22 ARG CA . 18135 1 276 . 1 1 22 22 ARG CB C 13 31.514 0.400 . 1 . . . A 22 ARG CB . 18135 1 277 . 1 1 22 22 ARG CG C 13 26.485 0.400 . 1 . . . A 22 ARG CG . 18135 1 278 . 1 1 22 22 ARG CD C 13 43.984 0.400 . 1 . . . A 22 ARG CD . 18135 1 279 . 1 1 22 22 ARG N N 15 115.451 0.400 . 1 . . . A 22 ARG N . 18135 1 280 . 1 1 23 23 LYS H H 1 10.212 0.020 . 1 . . . A 23 LYS H . 18135 1 281 . 1 1 23 23 LYS HA H 1 4.485 0.020 . 1 . . . A 23 LYS HA . 18135 1 282 . 1 1 23 23 LYS HB2 H 1 1.730 0.020 . 2 . . . A 23 LYS HB2 . 18135 1 283 . 1 1 23 23 LYS HB3 H 1 1.860 0.020 . 2 . . . A 23 LYS HB3 . 18135 1 284 . 1 1 23 23 LYS HG2 H 1 1.946 0.020 . 2 . . . A 23 LYS HG2 . 18135 1 285 . 1 1 23 23 LYS HG3 H 1 1.458 0.020 . 2 . . . A 23 LYS HG3 . 18135 1 286 . 1 1 23 23 LYS HD2 H 1 1.735 0.020 . 2 . . . A 23 LYS HD2 . 18135 1 287 . 1 1 23 23 LYS HD3 H 1 1.625 0.020 . 2 . . . A 23 LYS HD3 . 18135 1 288 . 1 1 23 23 LYS HE2 H 1 3.049 0.020 . 2 . . . A 23 LYS HE2 . 18135 1 289 . 1 1 23 23 LYS HE3 H 1 3.049 0.020 . 2 . . . A 23 LYS HE3 . 18135 1 290 . 1 1 23 23 LYS C C 13 176.643 0.400 . 1 . . . A 23 LYS C . 18135 1 291 . 1 1 23 23 LYS CA C 13 57.287 0.400 . 1 . . . A 23 LYS CA . 18135 1 292 . 1 1 23 23 LYS CB C 13 36.261 0.400 . 1 . . . A 23 LYS CB . 18135 1 293 . 1 1 23 23 LYS CG C 13 25.212 0.400 . 1 . . . A 23 LYS CG . 18135 1 294 . 1 1 23 23 LYS CD C 13 29.760 0.400 . 1 . . . A 23 LYS CD . 18135 1 295 . 1 1 23 23 LYS CE C 13 41.837 0.400 . 1 . . . A 23 LYS CE . 18135 1 296 . 1 1 23 23 LYS N N 15 128.593 0.400 . 1 . . . A 23 LYS N . 18135 1 297 . 1 1 24 24 ILE H H 1 8.465 0.020 . 1 . . . A 24 ILE H . 18135 1 298 . 1 1 24 24 ILE HA H 1 4.484 0.020 . 1 . . . A 24 ILE HA . 18135 1 299 . 1 1 24 24 ILE HB H 1 1.801 0.020 . 1 . . . A 24 ILE HB . 18135 1 300 . 1 1 24 24 ILE HG12 H 1 1.203 0.020 . 2 . . . A 24 ILE HG12 . 18135 1 301 . 1 1 24 24 ILE HG13 H 1 1.252 0.020 . 2 . . . A 24 ILE HG13 . 18135 1 302 . 1 1 24 24 ILE HG21 H 1 0.814 0.020 . 1 . . . A 24 ILE HG21 . 18135 1 303 . 1 1 24 24 ILE HG22 H 1 0.814 0.020 . 1 . . . A 24 ILE HG22 . 18135 1 304 . 1 1 24 24 ILE HG23 H 1 0.814 0.020 . 1 . . . A 24 ILE HG23 . 18135 1 305 . 1 1 24 24 ILE HD11 H 1 0.678 0.020 . 1 . . . A 24 ILE HD11 . 18135 1 306 . 1 1 24 24 ILE HD12 H 1 0.678 0.020 . 1 . . . A 24 ILE HD12 . 18135 1 307 . 1 1 24 24 ILE HD13 H 1 0.678 0.020 . 1 . . . A 24 ILE HD13 . 18135 1 308 . 1 1 24 24 ILE C C 13 173.878 0.400 . 1 . . . A 24 ILE C . 18135 1 309 . 1 1 24 24 ILE CA C 13 59.597 0.400 . 1 . . . A 24 ILE CA . 18135 1 310 . 1 1 24 24 ILE CB C 13 41.456 0.400 . 1 . . . A 24 ILE CB . 18135 1 311 . 1 1 24 24 ILE CG1 C 13 26.492 0.400 . 1 . . . A 24 ILE CG1 . 18135 1 312 . 1 1 24 24 ILE CG2 C 13 17.526 0.400 . 1 . . . A 24 ILE CG2 . 18135 1 313 . 1 1 24 24 ILE CD1 C 13 14.485 0.400 . 1 . . . A 24 ILE CD1 . 18135 1 314 . 1 1 24 24 ILE N N 15 118.605 0.400 . 1 . . . A 24 ILE N . 18135 1 315 . 1 1 25 25 SER H H 1 8.104 0.020 . 1 . . . A 25 SER H . 18135 1 316 . 1 1 25 25 SER HA H 1 4.481 0.020 . 1 . . . A 25 SER HA . 18135 1 317 . 1 1 25 25 SER HB2 H 1 3.888 0.020 . 2 . . . A 25 SER HB2 . 18135 1 318 . 1 1 25 25 SER HB3 H 1 3.757 0.020 . 2 . . . A 25 SER HB3 . 18135 1 319 . 1 1 25 25 SER C C 13 176.359 0.400 . 1 . . . A 25 SER C . 18135 1 320 . 1 1 25 25 SER CA C 13 56.975 0.400 . 1 . . . A 25 SER CA . 18135 1 321 . 1 1 25 25 SER CB C 13 64.759 0.400 . 1 . . . A 25 SER CB . 18135 1 322 . 1 1 25 25 SER N N 15 113.658 0.400 . 1 . . . A 25 SER N . 18135 1 323 . 1 1 26 26 LEU H H 1 8.802 0.020 . 1 . . . A 26 LEU H . 18135 1 324 . 1 1 26 26 LEU HA H 1 3.877 0.020 . 1 . . . A 26 LEU HA . 18135 1 325 . 1 1 26 26 LEU HB2 H 1 1.405 0.020 . 2 . . . A 26 LEU HB2 . 18135 1 326 . 1 1 26 26 LEU HB3 H 1 1.671 0.020 . 2 . . . A 26 LEU HB3 . 18135 1 327 . 1 1 26 26 LEU HG H 1 1.615 0.020 . 1 . . . A 26 LEU HG . 18135 1 328 . 1 1 26 26 LEU HD11 H 1 0.826 0.020 . 2 . . . A 26 LEU HD11 . 18135 1 329 . 1 1 26 26 LEU HD12 H 1 0.826 0.020 . 2 . . . A 26 LEU HD12 . 18135 1 330 . 1 1 26 26 LEU HD13 H 1 0.826 0.020 . 2 . . . A 26 LEU HD13 . 18135 1 331 . 1 1 26 26 LEU HD21 H 1 0.773 0.020 . 2 . . . A 26 LEU HD21 . 18135 1 332 . 1 1 26 26 LEU HD22 H 1 0.773 0.020 . 2 . . . A 26 LEU HD22 . 18135 1 333 . 1 1 26 26 LEU HD23 H 1 0.773 0.020 . 2 . . . A 26 LEU HD23 . 18135 1 334 . 1 1 26 26 LEU C C 13 178.946 0.400 . 1 . . . A 26 LEU C . 18135 1 335 . 1 1 26 26 LEU CA C 13 57.678 0.400 . 1 . . . A 26 LEU CA . 18135 1 336 . 1 1 26 26 LEU CB C 13 41.719 0.400 . 1 . . . A 26 LEU CB . 18135 1 337 . 1 1 26 26 LEU CG C 13 27.077 0.400 . 1 . . . A 26 LEU CG . 18135 1 338 . 1 1 26 26 LEU CD1 C 13 24.733 0.400 . 1 . . . A 26 LEU CD1 . 18135 1 339 . 1 1 26 26 LEU CD2 C 13 25.054 0.400 . 1 . . . A 26 LEU CD2 . 18135 1 340 . 1 1 26 26 LEU N N 15 127.566 0.400 . 1 . . . A 26 LEU N . 18135 1 341 . 1 1 27 27 PHE H H 1 7.986 0.020 . 1 . . . A 27 PHE H . 18135 1 342 . 1 1 27 27 PHE HA H 1 4.238 0.020 . 1 . . . A 27 PHE HA . 18135 1 343 . 1 1 27 27 PHE HB2 H 1 3.135 0.020 . 2 . . . A 27 PHE HB2 . 18135 1 344 . 1 1 27 27 PHE HB3 H 1 2.995 0.020 . 2 . . . A 27 PHE HB3 . 18135 1 345 . 1 1 27 27 PHE HD1 H 1 7.178 0.020 . 1 . . . A 27 PHE HD1 . 18135 1 346 . 1 1 27 27 PHE HD2 H 1 7.178 0.020 . 1 . . . A 27 PHE HD2 . 18135 1 347 . 1 1 27 27 PHE HE1 H 1 7.301 0.020 . 1 . . . A 27 PHE HE1 . 18135 1 348 . 1 1 27 27 PHE HE2 H 1 7.301 0.020 . 1 . . . A 27 PHE HE2 . 18135 1 349 . 1 1 27 27 PHE C C 13 177.067 0.400 . 1 . . . A 27 PHE C . 18135 1 350 . 1 1 27 27 PHE CA C 13 60.090 0.400 . 1 . . . A 27 PHE CA . 18135 1 351 . 1 1 27 27 PHE CB C 13 38.262 0.400 . 1 . . . A 27 PHE CB . 18135 1 352 . 1 1 27 27 PHE CD1 C 13 131.542 0.400 . 1 . . . A 27 PHE CD1 . 18135 1 353 . 1 1 27 27 PHE CD2 C 13 131.542 0.400 . 1 . . . A 27 PHE CD2 . 18135 1 354 . 1 1 27 27 PHE CE1 C 13 131.485 0.400 . 1 . . . A 27 PHE CE1 . 18135 1 355 . 1 1 27 27 PHE CE2 C 13 131.485 0.400 . 1 . . . A 27 PHE CE2 . 18135 1 356 . 1 1 27 27 PHE N N 15 117.143 0.400 . 1 . . . A 27 PHE N . 18135 1 357 . 1 1 28 28 SER H H 1 7.929 0.020 . 1 . . . A 28 SER H . 18135 1 358 . 1 1 28 28 SER HA H 1 4.505 0.020 . 1 . . . A 28 SER HA . 18135 1 359 . 1 1 28 28 SER HB2 H 1 3.983 0.020 . 2 . . . A 28 SER HB2 . 18135 1 360 . 1 1 28 28 SER HB3 H 1 4.047 0.020 . 2 . . . A 28 SER HB3 . 18135 1 361 . 1 1 28 28 SER C C 13 174.533 0.400 . 1 . . . A 28 SER C . 18135 1 362 . 1 1 28 28 SER CA C 13 59.447 0.400 . 1 . . . A 28 SER CA . 18135 1 363 . 1 1 28 28 SER CB C 13 63.790 0.400 . 1 . . . A 28 SER CB . 18135 1 364 . 1 1 28 28 SER N N 15 115.200 0.400 . 1 . . . A 28 SER N . 18135 1 365 . 1 1 29 29 CYS H H 1 7.865 0.020 . 1 . . . A 29 CYS H . 18135 1 366 . 1 1 29 29 CYS HA H 1 5.082 0.020 . 1 . . . A 29 CYS HA . 18135 1 367 . 1 1 29 29 CYS HB2 H 1 3.393 0.020 . 2 . . . A 29 CYS HB2 . 18135 1 368 . 1 1 29 29 CYS HB3 H 1 2.555 0.020 . 2 . . . A 29 CYS HB3 . 18135 1 369 . 1 1 29 29 CYS C C 13 176.475 0.400 . 1 . . . A 29 CYS C . 18135 1 370 . 1 1 29 29 CYS CA C 13 53.430 0.400 . 1 . . . A 29 CYS CA . 18135 1 371 . 1 1 29 29 CYS CB C 13 37.242 0.400 . 1 . . . A 29 CYS CB . 18135 1 372 . 1 1 29 29 CYS N N 15 119.870 0.400 . 1 . . . A 29 CYS N . 18135 1 373 . 1 1 30 30 LEU H H 1 7.812 0.020 . 1 . . . A 30 LEU H . 18135 1 374 . 1 1 30 30 LEU HA H 1 3.961 0.020 . 1 . . . A 30 LEU HA . 18135 1 375 . 1 1 30 30 LEU HB2 H 1 1.739 0.020 . 2 . . . A 30 LEU HB2 . 18135 1 376 . 1 1 30 30 LEU HB3 H 1 1.459 0.020 . 2 . . . A 30 LEU HB3 . 18135 1 377 . 1 1 30 30 LEU HG H 1 1.731 0.020 . 1 . . . A 30 LEU HG . 18135 1 378 . 1 1 30 30 LEU HD11 H 1 0.789 0.020 . 2 . . . A 30 LEU HD11 . 18135 1 379 . 1 1 30 30 LEU HD12 H 1 0.789 0.020 . 2 . . . A 30 LEU HD12 . 18135 1 380 . 1 1 30 30 LEU HD13 H 1 0.789 0.020 . 2 . . . A 30 LEU HD13 . 18135 1 381 . 1 1 30 30 LEU HD21 H 1 0.903 0.020 . 2 . . . A 30 LEU HD21 . 18135 1 382 . 1 1 30 30 LEU HD22 H 1 0.903 0.020 . 2 . . . A 30 LEU HD22 . 18135 1 383 . 1 1 30 30 LEU HD23 H 1 0.903 0.020 . 2 . . . A 30 LEU HD23 . 18135 1 384 . 1 1 30 30 LEU C C 13 179.774 0.400 . 1 . . . A 30 LEU C . 18135 1 385 . 1 1 30 30 LEU CA C 13 58.303 0.400 . 1 . . . A 30 LEU CA . 18135 1 386 . 1 1 30 30 LEU CB C 13 41.576 0.400 . 1 . . . A 30 LEU CB . 18135 1 387 . 1 1 30 30 LEU CG C 13 25.164 0.400 . 1 . . . A 30 LEU CG . 18135 1 388 . 1 1 30 30 LEU CD1 C 13 23.114 0.400 . 1 . . . A 30 LEU CD1 . 18135 1 389 . 1 1 30 30 LEU CD2 C 13 25.088 0.400 . 1 . . . A 30 LEU CD2 . 18135 1 390 . 1 1 30 30 LEU N N 15 122.259 0.400 . 1 . . . A 30 LEU N . 18135 1 391 . 1 1 31 31 LYS H H 1 8.597 0.020 . 1 . . . A 31 LYS H . 18135 1 392 . 1 1 31 31 LYS HA H 1 4.690 0.020 . 1 . . . A 31 LYS HA . 18135 1 393 . 1 1 31 31 LYS HB2 H 1 1.770 0.020 . 2 . . . A 31 LYS HB2 . 18135 1 394 . 1 1 31 31 LYS HB3 H 1 1.730 0.020 . 2 . . . A 31 LYS HB3 . 18135 1 395 . 1 1 31 31 LYS HG2 H 1 1.371 0.020 . 2 . . . A 31 LYS HG2 . 18135 1 396 . 1 1 31 31 LYS HG3 H 1 1.341 0.020 . 2 . . . A 31 LYS HG3 . 18135 1 397 . 1 1 31 31 LYS HD2 H 1 1.339 0.020 . 2 . . . A 31 LYS HD2 . 18135 1 398 . 1 1 31 31 LYS HD3 H 1 1.339 0.020 . 2 . . . A 31 LYS HD3 . 18135 1 399 . 1 1 31 31 LYS HE2 H 1 2.925 0.020 . 2 . . . A 31 LYS HE2 . 18135 1 400 . 1 1 31 31 LYS HE3 H 1 2.925 0.020 . 2 . . . A 31 LYS HE3 . 18135 1 401 . 1 1 31 31 LYS C C 13 176.692 0.400 . 1 . . . A 31 LYS C . 18135 1 402 . 1 1 31 31 LYS CA C 13 54.077 0.400 . 1 . . . A 31 LYS CA . 18135 1 403 . 1 1 31 31 LYS CB C 13 31.587 0.400 . 1 . . . A 31 LYS CB . 18135 1 404 . 1 1 31 31 LYS CG C 13 24.790 0.400 . 1 . . . A 31 LYS CG . 18135 1 405 . 1 1 31 31 LYS CD C 13 29.028 0.400 . 1 . . . A 31 LYS CD . 18135 1 406 . 1 1 31 31 LYS CE C 13 42.624 0.400 . 1 . . . A 31 LYS CE . 18135 1 407 . 1 1 31 31 LYS N N 15 117.731 0.400 . 1 . . . A 31 LYS N . 18135 1 408 . 1 1 32 32 ASP H H 1 7.808 0.020 . 1 . . . A 32 ASP H . 18135 1 409 . 1 1 32 32 ASP HA H 1 4.694 0.020 . 1 . . . A 32 ASP HA . 18135 1 410 . 1 1 32 32 ASP HB2 H 1 2.823 0.020 . 2 . . . A 32 ASP HB2 . 18135 1 411 . 1 1 32 32 ASP HB3 H 1 2.421 0.020 . 2 . . . A 32 ASP HB3 . 18135 1 412 . 1 1 32 32 ASP C C 13 175.505 0.400 . 1 . . . A 32 ASP C . 18135 1 413 . 1 1 32 32 ASP CA C 13 54.088 0.400 . 1 . . . A 32 ASP CA . 18135 1 414 . 1 1 32 32 ASP CB C 13 41.808 0.400 . 1 . . . A 32 ASP CB . 18135 1 415 . 1 1 32 32 ASP N N 15 117.841 0.400 . 1 . . . A 32 ASP N . 18135 1 416 . 1 1 33 33 ARG H H 1 7.378 0.020 . 1 . . . A 33 ARG H . 18135 1 417 . 1 1 33 33 ARG HA H 1 4.041 0.020 . 1 . . . A 33 ARG HA . 18135 1 418 . 1 1 33 33 ARG HB2 H 1 1.789 0.020 . 2 . . . A 33 ARG HB2 . 18135 1 419 . 1 1 33 33 ARG HB3 H 1 1.789 0.020 . 2 . . . A 33 ARG HB3 . 18135 1 420 . 1 1 33 33 ARG HG2 H 1 1.659 0.020 . 2 . . . A 33 ARG HG2 . 18135 1 421 . 1 1 33 33 ARG HG3 H 1 1.726 0.020 . 2 . . . A 33 ARG HG3 . 18135 1 422 . 1 1 33 33 ARG HD2 H 1 3.106 0.020 . 2 . . . A 33 ARG HD2 . 18135 1 423 . 1 1 33 33 ARG HD3 H 1 3.101 0.020 . 2 . . . A 33 ARG HD3 . 18135 1 424 . 1 1 33 33 ARG C C 13 175.286 0.400 . 1 . . . A 33 ARG C . 18135 1 425 . 1 1 33 33 ARG CA C 13 58.083 0.400 . 1 . . . A 33 ARG CA . 18135 1 426 . 1 1 33 33 ARG CB C 13 30.013 0.400 . 1 . . . A 33 ARG CB . 18135 1 427 . 1 1 33 33 ARG CG C 13 27.185 0.400 . 1 . . . A 33 ARG CG . 18135 1 428 . 1 1 33 33 ARG CD C 13 43.173 0.400 . 1 . . . A 33 ARG CD . 18135 1 429 . 1 1 33 33 ARG N N 15 120.876 0.400 . 1 . . . A 33 ARG N . 18135 1 430 . 1 1 34 34 HIS H H 1 7.974 0.020 . 1 . . . A 34 HIS H . 18135 1 431 . 1 1 34 34 HIS HA H 1 4.212 0.020 . 1 . . . A 34 HIS HA . 18135 1 432 . 1 1 34 34 HIS HB2 H 1 2.650 0.020 . 2 . . . A 34 HIS HB2 . 18135 1 433 . 1 1 34 34 HIS HB3 H 1 2.650 0.020 . 2 . . . A 34 HIS HB3 . 18135 1 434 . 1 1 34 34 HIS HD2 H 1 7.143 0.020 . 1 . . . A 34 HIS HD2 . 18135 1 435 . 1 1 34 34 HIS HE1 H 1 8.672 0.020 . 1 . . . A 34 HIS HE1 . 18135 1 436 . 1 1 34 34 HIS C C 13 170.494 0.400 . 1 . . . A 34 HIS C . 18135 1 437 . 1 1 34 34 HIS CA C 13 54.607 0.400 . 1 . . . A 34 HIS CA . 18135 1 438 . 1 1 34 34 HIS CB C 13 31.488 0.400 . 1 . . . A 34 HIS CB . 18135 1 439 . 1 1 34 34 HIS CD2 C 13 120.200 0.400 . 1 . . . A 34 HIS CD2 . 18135 1 440 . 1 1 34 34 HIS CE1 C 13 137.314 0.400 . 1 . . . A 34 HIS CE1 . 18135 1 441 . 1 1 34 34 HIS N N 15 120.555 0.400 . 1 . . . A 34 HIS N . 18135 1 442 . 1 1 35 35 ASP H H 1 7.805 0.020 . 1 . . . A 35 ASP H . 18135 1 443 . 1 1 35 35 ASP HA H 1 4.638 0.020 . 1 . . . A 35 ASP HA . 18135 1 444 . 1 1 35 35 ASP HB2 H 1 2.316 0.020 . 2 . . . A 35 ASP HB2 . 18135 1 445 . 1 1 35 35 ASP HB3 H 1 2.511 0.020 . 2 . . . A 35 ASP HB3 . 18135 1 446 . 1 1 35 35 ASP C C 13 175.943 0.400 . 1 . . . A 35 ASP C . 18135 1 447 . 1 1 35 35 ASP CA C 13 52.369 0.400 . 1 . . . A 35 ASP CA . 18135 1 448 . 1 1 35 35 ASP CB C 13 40.362 0.400 . 1 . . . A 35 ASP CB . 18135 1 449 . 1 1 35 35 ASP N N 15 125.061 0.400 . 1 . . . A 35 ASP N . 18135 1 450 . 1 1 36 36 PHE H H 1 8.973 0.020 . 1 . . . A 36 PHE H . 18135 1 451 . 1 1 36 36 PHE HA H 1 4.325 0.020 . 1 . . . A 36 PHE HA . 18135 1 452 . 1 1 36 36 PHE HB2 H 1 2.765 0.020 . 2 . . . A 36 PHE HB2 . 18135 1 453 . 1 1 36 36 PHE HB3 H 1 3.278 0.020 . 2 . . . A 36 PHE HB3 . 18135 1 454 . 1 1 36 36 PHE HD1 H 1 6.931 0.020 . 1 . . . A 36 PHE HD1 . 18135 1 455 . 1 1 36 36 PHE HD2 H 1 6.931 0.020 . 1 . . . A 36 PHE HD2 . 18135 1 456 . 1 1 36 36 PHE HE1 H 1 6.764 0.020 . 1 . . . A 36 PHE HE1 . 18135 1 457 . 1 1 36 36 PHE HE2 H 1 6.764 0.020 . 1 . . . A 36 PHE HE2 . 18135 1 458 . 1 1 36 36 PHE HZ H 1 5.620 0.020 . 1 . . . A 36 PHE HZ . 18135 1 459 . 1 1 36 36 PHE C C 13 176.643 0.400 . 1 . . . A 36 PHE C . 18135 1 460 . 1 1 36 36 PHE CA C 13 59.639 0.400 . 1 . . . A 36 PHE CA . 18135 1 461 . 1 1 36 36 PHE CB C 13 40.691 0.400 . 1 . . . A 36 PHE CB . 18135 1 462 . 1 1 36 36 PHE CD1 C 13 131.000 0.400 . 1 . . . A 36 PHE CD1 . 18135 1 463 . 1 1 36 36 PHE CD2 C 13 131.000 0.400 . 1 . . . A 36 PHE CD2 . 18135 1 464 . 1 1 36 36 PHE CE1 C 13 130.776 0.400 . 1 . . . A 36 PHE CE1 . 18135 1 465 . 1 1 36 36 PHE CE2 C 13 130.776 0.400 . 1 . . . A 36 PHE CE2 . 18135 1 466 . 1 1 36 36 PHE CZ C 13 129.550 0.400 . 1 . . . A 36 PHE CZ . 18135 1 467 . 1 1 36 36 PHE N N 15 122.860 0.400 . 1 . . . A 36 PHE N . 18135 1 468 . 1 1 37 37 GLY H H 1 8.727 0.020 . 1 . . . A 37 GLY H . 18135 1 469 . 1 1 37 37 GLY HA2 H 1 3.680 0.020 . 2 . . . A 37 GLY HA2 . 18135 1 470 . 1 1 37 37 GLY HA3 H 1 3.923 0.020 . 2 . . . A 37 GLY HA3 . 18135 1 471 . 1 1 37 37 GLY C C 13 175.185 0.400 . 1 . . . A 37 GLY C . 18135 1 472 . 1 1 37 37 GLY CA C 13 48.143 0.400 . 1 . . . A 37 GLY CA . 18135 1 473 . 1 1 37 37 GLY N N 15 111.856 0.400 . 1 . . . A 37 GLY N . 18135 1 474 . 1 1 38 38 PHE H H 1 9.169 0.020 . 1 . . . A 38 PHE H . 18135 1 475 . 1 1 38 38 PHE HA H 1 3.914 0.020 . 1 . . . A 38 PHE HA . 18135 1 476 . 1 1 38 38 PHE HD1 H 1 6.130 0.020 . 1 . . . A 38 PHE HD1 . 18135 1 477 . 1 1 38 38 PHE HD2 H 1 6.130 0.020 . 1 . . . A 38 PHE HD2 . 18135 1 478 . 1 1 38 38 PHE HE1 H 1 6.840 0.020 . 1 . . . A 38 PHE HE1 . 18135 1 479 . 1 1 38 38 PHE HE2 H 1 6.840 0.020 . 1 . . . A 38 PHE HE2 . 18135 1 480 . 1 1 38 38 PHE CA C 13 55.804 0.400 . 1 . . . A 38 PHE CA . 18135 1 481 . 1 1 38 38 PHE CB C 13 38.657 0.400 . 1 . . . A 38 PHE CB . 18135 1 482 . 1 1 38 38 PHE CD1 C 13 130.550 0.400 . 1 . . . A 38 PHE CD1 . 18135 1 483 . 1 1 38 38 PHE CD2 C 13 130.550 0.400 . 1 . . . A 38 PHE CD2 . 18135 1 484 . 1 1 38 38 PHE CE1 C 13 130.550 0.400 . 1 . . . A 38 PHE CE1 . 18135 1 485 . 1 1 38 38 PHE CE2 C 13 130.550 0.400 . 1 . . . A 38 PHE CE2 . 18135 1 486 . 1 1 38 38 PHE N N 15 123.178 0.400 . 1 . . . A 38 PHE N . 18135 1 487 . 1 1 39 39 PRO HA H 1 4.529 0.020 . 1 . . . A 39 PRO HA . 18135 1 488 . 1 1 39 39 PRO HB2 H 1 1.988 0.020 . 2 . . . A 39 PRO HB2 . 18135 1 489 . 1 1 39 39 PRO HB3 H 1 1.722 0.020 . 2 . . . A 39 PRO HB3 . 18135 1 490 . 1 1 39 39 PRO HG2 H 1 1.284 0.020 . 2 . . . A 39 PRO HG2 . 18135 1 491 . 1 1 39 39 PRO HG3 H 1 1.551 0.020 . 2 . . . A 39 PRO HG3 . 18135 1 492 . 1 1 39 39 PRO HD2 H 1 2.617 0.020 . 2 . . . A 39 PRO HD2 . 18135 1 493 . 1 1 39 39 PRO HD3 H 1 3.039 0.020 . 2 . . . A 39 PRO HD3 . 18135 1 494 . 1 1 39 39 PRO C C 13 174.634 0.400 . 1 . . . A 39 PRO C . 18135 1 495 . 1 1 39 39 PRO CA C 13 61.543 0.400 . 1 . . . A 39 PRO CA . 18135 1 496 . 1 1 39 39 PRO CB C 13 28.704 0.400 . 1 . . . A 39 PRO CB . 18135 1 497 . 1 1 39 39 PRO CD C 13 50.349 0.400 . 1 . . . A 39 PRO CD . 18135 1 498 . 1 1 40 40 GLN H H 1 7.966 0.020 . 1 . . . A 40 GLN H . 18135 1 499 . 1 1 40 40 GLN HA H 1 3.619 0.020 . 1 . . . A 40 GLN HA . 18135 1 500 . 1 1 40 40 GLN HB2 H 1 2.074 0.020 . 2 . . . A 40 GLN HB2 . 18135 1 501 . 1 1 40 40 GLN HB3 H 1 2.021 0.020 . 2 . . . A 40 GLN HB3 . 18135 1 502 . 1 1 40 40 GLN HG2 H 1 2.296 0.020 . 2 . . . A 40 GLN HG2 . 18135 1 503 . 1 1 40 40 GLN HG3 H 1 2.337 0.020 . 2 . . . A 40 GLN HG3 . 18135 1 504 . 1 1 40 40 GLN HE21 H 1 7.577 0.020 . 2 . . . A 40 GLN HE21 . 18135 1 505 . 1 1 40 40 GLN HE22 H 1 6.802 0.020 . 2 . . . A 40 GLN HE22 . 18135 1 506 . 1 1 40 40 GLN C C 13 176.958 0.400 . 1 . . . A 40 GLN C . 18135 1 507 . 1 1 40 40 GLN CA C 13 58.073 0.400 . 1 . . . A 40 GLN CA . 18135 1 508 . 1 1 40 40 GLN CB C 13 28.817 0.400 . 1 . . . A 40 GLN CB . 18135 1 509 . 1 1 40 40 GLN CG C 13 33.071 0.400 . 1 . . . A 40 GLN CG . 18135 1 510 . 1 1 40 40 GLN N N 15 123.608 0.400 . 1 . . . A 40 GLN N . 18135 1 511 . 1 1 40 40 GLN NE2 N 15 111.066 0.400 . 1 . . . A 40 GLN NE2 . 18135 1 512 . 1 1 41 41 GLU H H 1 9.044 0.020 . 1 . . . A 41 GLU H . 18135 1 513 . 1 1 41 41 GLU HA H 1 4.137 0.020 . 1 . . . A 41 GLU HA . 18135 1 514 . 1 1 41 41 GLU HB2 H 1 1.956 0.020 . 2 . . . A 41 GLU HB2 . 18135 1 515 . 1 1 41 41 GLU HB3 H 1 1.966 0.020 . 2 . . . A 41 GLU HB3 . 18135 1 516 . 1 1 41 41 GLU C C 13 177.346 0.400 . 1 . . . A 41 GLU C . 18135 1 517 . 1 1 41 41 GLU CA C 13 57.929 0.400 . 1 . . . A 41 GLU CA . 18135 1 518 . 1 1 41 41 GLU CB C 13 27.833 0.400 . 1 . . . A 41 GLU CB . 18135 1 519 . 1 1 41 41 GLU N N 15 119.446 0.400 . 1 . . . A 41 GLU N . 18135 1 520 . 1 1 42 42 GLU H H 1 7.646 0.020 . 1 . . . A 42 GLU H . 18135 1 521 . 1 1 42 42 GLU HA H 1 4.063 0.020 . 1 . . . A 42 GLU HA . 18135 1 522 . 1 1 42 42 GLU HB2 H 1 1.638 0.020 . 2 . . . A 42 GLU HB2 . 18135 1 523 . 1 1 42 42 GLU HB3 H 1 1.472 0.020 . 2 . . . A 42 GLU HB3 . 18135 1 524 . 1 1 42 42 GLU HG2 H 1 2.053 0.020 . 2 . . . A 42 GLU HG2 . 18135 1 525 . 1 1 42 42 GLU HG3 H 1 2.304 0.020 . 2 . . . A 42 GLU HG3 . 18135 1 526 . 1 1 42 42 GLU C C 13 174.886 0.400 . 1 . . . A 42 GLU C . 18135 1 527 . 1 1 42 42 GLU CA C 13 56.384 0.400 . 1 . . . A 42 GLU CA . 18135 1 528 . 1 1 42 42 GLU CB C 13 27.558 0.400 . 1 . . . A 42 GLU CB . 18135 1 529 . 1 1 42 42 GLU CG C 13 33.064 0.400 . 1 . . . A 42 GLU CG . 18135 1 530 . 1 1 42 42 GLU N N 15 117.196 0.400 . 1 . . . A 42 GLU N . 18135 1 531 . 1 1 43 43 PHE H H 1 7.601 0.020 . 1 . . . A 43 PHE H . 18135 1 532 . 1 1 43 43 PHE HA H 1 4.486 0.020 . 1 . . . A 43 PHE HA . 18135 1 533 . 1 1 43 43 PHE HB2 H 1 2.721 0.020 . 2 . . . A 43 PHE HB2 . 18135 1 534 . 1 1 43 43 PHE HB3 H 1 3.330 0.020 . 2 . . . A 43 PHE HB3 . 18135 1 535 . 1 1 43 43 PHE HD1 H 1 7.064 0.020 . 1 . . . A 43 PHE HD1 . 18135 1 536 . 1 1 43 43 PHE HD2 H 1 7.064 0.020 . 1 . . . A 43 PHE HD2 . 18135 1 537 . 1 1 43 43 PHE HE1 H 1 6.923 0.020 . 1 . . . A 43 PHE HE1 . 18135 1 538 . 1 1 43 43 PHE HE2 H 1 6.923 0.020 . 1 . . . A 43 PHE HE2 . 18135 1 539 . 1 1 43 43 PHE HZ H 1 7.034 0.020 . 1 . . . A 43 PHE HZ . 18135 1 540 . 1 1 43 43 PHE C C 13 175.615 0.400 . 1 . . . A 43 PHE C . 18135 1 541 . 1 1 43 43 PHE CA C 13 57.548 0.400 . 1 . . . A 43 PHE CA . 18135 1 542 . 1 1 43 43 PHE CB C 13 39.893 0.400 . 1 . . . A 43 PHE CB . 18135 1 543 . 1 1 43 43 PHE CD1 C 13 132.343 0.400 . 1 . . . A 43 PHE CD1 . 18135 1 544 . 1 1 43 43 PHE CD2 C 13 132.343 0.400 . 1 . . . A 43 PHE CD2 . 18135 1 545 . 1 1 43 43 PHE CZ C 13 129.198 0.400 . 1 . . . A 43 PHE CZ . 18135 1 546 . 1 1 43 43 PHE N N 15 115.527 0.400 . 1 . . . A 43 PHE N . 18135 1 547 . 1 1 44 44 GLY H H 1 7.733 0.020 . 1 . . . A 44 GLY H . 18135 1 548 . 1 1 44 44 GLY HA2 H 1 4.039 0.020 . 2 . . . A 44 GLY HA2 . 18135 1 549 . 1 1 44 44 GLY HA3 H 1 4.084 0.020 . 2 . . . A 44 GLY HA3 . 18135 1 550 . 1 1 44 44 GLY C C 13 174.032 0.400 . 1 . . . A 44 GLY C . 18135 1 551 . 1 1 44 44 GLY CA C 13 45.612 0.400 . 1 . . . A 44 GLY CA . 18135 1 552 . 1 1 44 44 GLY N N 15 107.243 0.400 . 1 . . . A 44 GLY N . 18135 1 553 . 1 1 45 45 ASN H H 1 8.343 0.020 . 1 . . . A 45 ASN H . 18135 1 554 . 1 1 45 45 ASN HA H 1 4.551 0.020 . 1 . . . A 45 ASN HA . 18135 1 555 . 1 1 45 45 ASN HB2 H 1 2.808 0.020 . 2 . . . A 45 ASN HB2 . 18135 1 556 . 1 1 45 45 ASN HB3 H 1 2.808 0.020 . 2 . . . A 45 ASN HB3 . 18135 1 557 . 1 1 45 45 ASN HD21 H 1 6.896 0.020 . 2 . . . A 45 ASN HD21 . 18135 1 558 . 1 1 45 45 ASN HD22 H 1 7.546 0.020 . 2 . . . A 45 ASN HD22 . 18135 1 559 . 1 1 45 45 ASN C C 13 175.894 0.400 . 1 . . . A 45 ASN C . 18135 1 560 . 1 1 45 45 ASN CA C 13 53.849 0.400 . 1 . . . A 45 ASN CA . 18135 1 561 . 1 1 45 45 ASN CB C 13 38.419 0.400 . 1 . . . A 45 ASN CB . 18135 1 562 . 1 1 45 45 ASN N N 15 117.599 0.400 . 1 . . . A 45 ASN N . 18135 1 563 . 1 1 45 45 ASN ND2 N 15 112.474 0.400 . 1 . . . A 45 ASN ND2 . 18135 1 564 . 1 1 46 46 GLN H H 1 8.652 0.020 . 1 . . . A 46 GLN H . 18135 1 565 . 1 1 46 46 GLN HA H 1 4.082 0.020 . 1 . . . A 46 GLN HA . 18135 1 566 . 1 1 46 46 GLN HB2 H 1 1.764 0.020 . 2 . . . A 46 GLN HB2 . 18135 1 567 . 1 1 46 46 GLN HB3 H 1 1.764 0.020 . 2 . . . A 46 GLN HB3 . 18135 1 568 . 1 1 46 46 GLN HG2 H 1 1.960 0.020 . 2 . . . A 46 GLN HG2 . 18135 1 569 . 1 1 46 46 GLN HG3 H 1 1.960 0.020 . 2 . . . A 46 GLN HG3 . 18135 1 570 . 1 1 46 46 GLN HE21 H 1 6.777 0.020 . 2 . . . A 46 GLN HE21 . 18135 1 571 . 1 1 46 46 GLN HE22 H 1 7.228 0.020 . 2 . . . A 46 GLN HE22 . 18135 1 572 . 1 1 46 46 GLN C C 13 175.851 0.400 . 1 . . . A 46 GLN C . 18135 1 573 . 1 1 46 46 GLN CA C 13 56.646 0.400 . 1 . . . A 46 GLN CA . 18135 1 574 . 1 1 46 46 GLN CB C 13 28.444 0.400 . 1 . . . A 46 GLN CB . 18135 1 575 . 1 1 46 46 GLN CG C 13 33.075 0.400 . 1 . . . A 46 GLN CG . 18135 1 576 . 1 1 46 46 GLN N N 15 118.916 0.400 . 1 . . . A 46 GLN N . 18135 1 577 . 1 1 46 46 GLN NE2 N 15 112.145 0.400 . 1 . . . A 46 GLN NE2 . 18135 1 578 . 1 1 47 47 PHE H H 1 7.904 0.020 . 1 . . . A 47 PHE H . 18135 1 579 . 1 1 47 47 PHE HA H 1 4.562 0.020 . 1 . . . A 47 PHE HA . 18135 1 580 . 1 1 47 47 PHE HB2 H 1 2.824 0.020 . 2 . . . A 47 PHE HB2 . 18135 1 581 . 1 1 47 47 PHE HB3 H 1 3.111 0.020 . 2 . . . A 47 PHE HB3 . 18135 1 582 . 1 1 47 47 PHE HD1 H 1 7.150 0.020 . 1 . . . A 47 PHE HD1 . 18135 1 583 . 1 1 47 47 PHE HD2 H 1 7.150 0.020 . 1 . . . A 47 PHE HD2 . 18135 1 584 . 1 1 47 47 PHE HE1 H 1 7.220 0.020 . 1 . . . A 47 PHE HE1 . 18135 1 585 . 1 1 47 47 PHE HE2 H 1 7.220 0.020 . 1 . . . A 47 PHE HE2 . 18135 1 586 . 1 1 47 47 PHE C C 13 176.258 0.400 . 1 . . . A 47 PHE C . 18135 1 587 . 1 1 47 47 PHE CA C 13 57.920 0.400 . 1 . . . A 47 PHE CA . 18135 1 588 . 1 1 47 47 PHE CB C 13 39.858 0.400 . 1 . . . A 47 PHE CB . 18135 1 589 . 1 1 47 47 PHE CD1 C 13 130.200 0.400 . 1 . . . A 47 PHE CD1 . 18135 1 590 . 1 1 47 47 PHE CD2 C 13 130.200 0.400 . 1 . . . A 47 PHE CD2 . 18135 1 591 . 1 1 47 47 PHE CE1 C 13 130.200 0.400 . 1 . . . A 47 PHE CE1 . 18135 1 592 . 1 1 47 47 PHE CE2 C 13 130.200 0.400 . 1 . . . A 47 PHE CE2 . 18135 1 593 . 1 1 47 47 PHE N N 15 119.511 0.400 . 1 . . . A 47 PHE N . 18135 1 594 . 1 1 48 48 GLN H H 1 8.255 0.020 . 1 . . . A 48 GLN H . 18135 1 595 . 1 1 48 48 GLN HA H 1 4.375 0.020 . 1 . . . A 48 GLN HA . 18135 1 596 . 1 1 48 48 GLN HB2 H 1 1.912 0.020 . 2 . . . A 48 GLN HB2 . 18135 1 597 . 1 1 48 48 GLN HB3 H 1 2.225 0.020 . 2 . . . A 48 GLN HB3 . 18135 1 598 . 1 1 48 48 GLN HG2 H 1 2.344 0.020 . 2 . . . A 48 GLN HG2 . 18135 1 599 . 1 1 48 48 GLN HG3 H 1 2.344 0.020 . 2 . . . A 48 GLN HG3 . 18135 1 600 . 1 1 48 48 GLN HE21 H 1 7.507 0.020 . 2 . . . A 48 GLN HE21 . 18135 1 601 . 1 1 48 48 GLN HE22 H 1 6.854 0.020 . 2 . . . A 48 GLN HE22 . 18135 1 602 . 1 1 48 48 GLN C C 13 181.265 0.400 . 1 . . . A 48 GLN C . 18135 1 603 . 1 1 48 48 GLN CA C 13 55.576 0.400 . 1 . . . A 48 GLN CA . 18135 1 604 . 1 1 48 48 GLN CB C 13 29.468 0.400 . 1 . . . A 48 GLN CB . 18135 1 605 . 1 1 48 48 GLN CG C 13 33.974 0.400 . 1 . . . A 48 GLN CG . 18135 1 606 . 1 1 48 48 GLN N N 15 120.127 0.400 . 1 . . . A 48 GLN N . 18135 1 607 . 1 1 48 48 GLN NE2 N 15 111.902 0.400 . 1 . . . A 48 GLN NE2 . 18135 1 608 . 1 1 49 49 LYS H H 1 8.426 0.020 . 1 . . . A 49 LYS H . 18135 1 609 . 1 1 49 49 LYS HA H 1 4.103 0.020 . 1 . . . A 49 LYS HA . 18135 1 610 . 1 1 49 49 LYS HB2 H 1 1.766 0.020 . 2 . . . A 49 LYS HB2 . 18135 1 611 . 1 1 49 49 LYS HB3 H 1 1.766 0.020 . 2 . . . A 49 LYS HB3 . 18135 1 612 . 1 1 49 49 LYS HG2 H 1 1.394 0.020 . 2 . . . A 49 LYS HG2 . 18135 1 613 . 1 1 49 49 LYS HG3 H 1 1.394 0.020 . 2 . . . A 49 LYS HG3 . 18135 1 614 . 1 1 49 49 LYS HD2 H 1 1.616 0.020 . 2 . . . A 49 LYS HD2 . 18135 1 615 . 1 1 49 49 LYS HD3 H 1 1.616 0.020 . 2 . . . A 49 LYS HD3 . 18135 1 616 . 1 1 49 49 LYS HE2 H 1 2.927 0.020 . 2 . . . A 49 LYS HE2 . 18135 1 617 . 1 1 49 49 LYS HE3 H 1 2.927 0.020 . 2 . . . A 49 LYS HE3 . 18135 1 618 . 1 1 49 49 LYS C C 13 177.968 0.400 . 1 . . . A 49 LYS C . 18135 1 619 . 1 1 49 49 LYS CA C 13 58.149 0.400 . 1 . . . A 49 LYS CA . 18135 1 620 . 1 1 49 49 LYS CB C 13 32.390 0.400 . 1 . . . A 49 LYS CB . 18135 1 621 . 1 1 49 49 LYS CG C 13 24.963 0.400 . 1 . . . A 49 LYS CG . 18135 1 622 . 1 1 49 49 LYS CD C 13 30.455 0.400 . 1 . . . A 49 LYS CD . 18135 1 623 . 1 1 49 49 LYS CE C 13 41.938 0.400 . 1 . . . A 49 LYS CE . 18135 1 624 . 1 1 49 49 LYS N N 15 121.777 0.400 . 1 . . . A 49 LYS N . 18135 1 625 . 1 1 50 50 ALA H H 1 8.578 0.020 . 1 . . . A 50 ALA H . 18135 1 626 . 1 1 50 50 ALA HA H 1 4.070 0.020 . 1 . . . A 50 ALA HA . 18135 1 627 . 1 1 50 50 ALA HB1 H 1 1.336 0.020 . 1 . . . A 50 ALA HB1 . 18135 1 628 . 1 1 50 50 ALA HB2 H 1 1.336 0.020 . 1 . . . A 50 ALA HB2 . 18135 1 629 . 1 1 50 50 ALA HB3 H 1 1.336 0.020 . 1 . . . A 50 ALA HB3 . 18135 1 630 . 1 1 50 50 ALA C C 13 178.697 0.400 . 1 . . . A 50 ALA C . 18135 1 631 . 1 1 50 50 ALA CA C 13 54.768 0.400 . 1 . . . A 50 ALA CA . 18135 1 632 . 1 1 50 50 ALA CB C 13 18.874 0.400 . 1 . . . A 50 ALA CB . 18135 1 633 . 1 1 50 50 ALA N N 15 120.573 0.400 . 1 . . . A 50 ALA N . 18135 1 634 . 1 1 51 51 GLU H H 1 7.907 0.020 . 1 . . . A 51 GLU H . 18135 1 635 . 1 1 51 51 GLU HA H 1 4.266 0.020 . 1 . . . A 51 GLU HA . 18135 1 636 . 1 1 51 51 GLU HB2 H 1 2.078 0.020 . 2 . . . A 51 GLU HB2 . 18135 1 637 . 1 1 51 51 GLU HB3 H 1 2.078 0.020 . 2 . . . A 51 GLU HB3 . 18135 1 638 . 1 1 51 51 GLU HG2 H 1 2.355 0.020 . 2 . . . A 51 GLU HG2 . 18135 1 639 . 1 1 51 51 GLU HG3 H 1 2.355 0.020 . 2 . . . A 51 GLU HG3 . 18135 1 640 . 1 1 51 51 GLU C C 13 176.995 0.400 . 1 . . . A 51 GLU C . 18135 1 641 . 1 1 51 51 GLU CA C 13 56.993 0.400 . 1 . . . A 51 GLU CA . 18135 1 642 . 1 1 51 51 GLU CB C 13 28.905 0.400 . 1 . . . A 51 GLU CB . 18135 1 643 . 1 1 51 51 GLU CG C 13 34.746 0.400 . 1 . . . A 51 GLU CG . 18135 1 644 . 1 1 51 51 GLU N N 15 115.015 0.400 . 1 . . . A 51 GLU N . 18135 1 645 . 1 1 52 52 THR H H 1 7.863 0.020 . 1 . . . A 52 THR H . 18135 1 646 . 1 1 52 52 THR HA H 1 4.114 0.020 . 1 . . . A 52 THR HA . 18135 1 647 . 1 1 52 52 THR HB H 1 4.265 0.020 . 1 . . . A 52 THR HB . 18135 1 648 . 1 1 52 52 THR HG21 H 1 1.231 0.020 . 1 . . . A 52 THR HG21 . 18135 1 649 . 1 1 52 52 THR HG22 H 1 1.231 0.020 . 1 . . . A 52 THR HG22 . 18135 1 650 . 1 1 52 52 THR HG23 H 1 1.231 0.020 . 1 . . . A 52 THR HG23 . 18135 1 651 . 1 1 52 52 THR C C 13 175.271 0.400 . 1 . . . A 52 THR C . 18135 1 652 . 1 1 52 52 THR CA C 13 63.611 0.400 . 1 . . . A 52 THR CA . 18135 1 653 . 1 1 52 52 THR CB C 13 69.673 0.400 . 1 . . . A 52 THR CB . 18135 1 654 . 1 1 52 52 THR CG2 C 13 22.605 0.400 . 1 . . . A 52 THR CG2 . 18135 1 655 . 1 1 52 52 THR N N 15 111.210 0.400 . 1 . . . A 52 THR N . 18135 1 656 . 1 1 53 53 ILE H H 1 8.341 0.020 . 1 . . . A 53 ILE H . 18135 1 657 . 1 1 53 53 ILE HA H 1 3.864 0.020 . 1 . . . A 53 ILE HA . 18135 1 658 . 1 1 53 53 ILE HB H 1 2.083 0.020 . 1 . . . A 53 ILE HB . 18135 1 659 . 1 1 53 53 ILE HG12 H 1 1.215 0.020 . 2 . . . A 53 ILE HG12 . 18135 1 660 . 1 1 53 53 ILE HG13 H 1 1.725 0.020 . 2 . . . A 53 ILE HG13 . 18135 1 661 . 1 1 53 53 ILE HG21 H 1 0.846 0.020 . 1 . . . A 53 ILE HG21 . 18135 1 662 . 1 1 53 53 ILE HG22 H 1 0.846 0.020 . 1 . . . A 53 ILE HG22 . 18135 1 663 . 1 1 53 53 ILE HG23 H 1 0.846 0.020 . 1 . . . A 53 ILE HG23 . 18135 1 664 . 1 1 53 53 ILE HD11 H 1 0.831 0.020 . 1 . . . A 53 ILE HD11 . 18135 1 665 . 1 1 53 53 ILE HD12 H 1 0.831 0.020 . 1 . . . A 53 ILE HD12 . 18135 1 666 . 1 1 53 53 ILE HD13 H 1 0.831 0.020 . 1 . . . A 53 ILE HD13 . 18135 1 667 . 1 1 53 53 ILE CA C 13 66.907 0.400 . 1 . . . A 53 ILE CA . 18135 1 668 . 1 1 53 53 ILE CB C 13 34.953 0.400 . 1 . . . A 53 ILE CB . 18135 1 669 . 1 1 53 53 ILE CG1 C 13 29.740 0.400 . 1 . . . A 53 ILE CG1 . 18135 1 670 . 1 1 53 53 ILE CG2 C 13 17.848 0.400 . 1 . . . A 53 ILE CG2 . 18135 1 671 . 1 1 53 53 ILE CD1 C 13 12.694 0.400 . 1 . . . A 53 ILE CD1 . 18135 1 672 . 1 1 53 53 ILE N N 15 119.113 0.400 . 1 . . . A 53 ILE N . 18135 1 673 . 1 1 54 54 PRO HA H 1 4.286 0.020 . 1 . . . A 54 PRO HA . 18135 1 674 . 1 1 54 54 PRO HB2 H 1 1.772 0.020 . 2 . . . A 54 PRO HB2 . 18135 1 675 . 1 1 54 54 PRO HB3 H 1 2.345 0.020 . 2 . . . A 54 PRO HB3 . 18135 1 676 . 1 1 54 54 PRO HG2 H 1 2.127 0.020 . 2 . . . A 54 PRO HG2 . 18135 1 677 . 1 1 54 54 PRO HG3 H 1 1.918 0.020 . 2 . . . A 54 PRO HG3 . 18135 1 678 . 1 1 54 54 PRO HD2 H 1 3.615 0.020 . 2 . . . A 54 PRO HD2 . 18135 1 679 . 1 1 54 54 PRO HD3 H 1 3.599 0.020 . 2 . . . A 54 PRO HD3 . 18135 1 680 . 1 1 54 54 PRO C C 13 179.655 0.400 . 1 . . . A 54 PRO C . 18135 1 681 . 1 1 54 54 PRO CA C 13 66.051 0.400 . 1 . . . A 54 PRO CA . 18135 1 682 . 1 1 54 54 PRO CB C 13 31.885 0.400 . 1 . . . A 54 PRO CB . 18135 1 683 . 1 1 54 54 PRO CG C 13 28.714 0.400 . 1 . . . A 54 PRO CG . 18135 1 684 . 1 1 54 54 PRO CD C 13 49.605 0.400 . 1 . . . A 54 PRO CD . 18135 1 685 . 1 1 55 55 VAL H H 1 7.119 0.020 . 1 . . . A 55 VAL H . 18135 1 686 . 1 1 55 55 VAL HA H 1 3.681 0.020 . 1 . . . A 55 VAL HA . 18135 1 687 . 1 1 55 55 VAL HB H 1 2.017 0.020 . 1 . . . A 55 VAL HB . 18135 1 688 . 1 1 55 55 VAL HG11 H 1 0.794 0.020 . 2 . . . A 55 VAL HG11 . 18135 1 689 . 1 1 55 55 VAL HG12 H 1 0.794 0.020 . 2 . . . A 55 VAL HG12 . 18135 1 690 . 1 1 55 55 VAL HG13 H 1 0.794 0.020 . 2 . . . A 55 VAL HG13 . 18135 1 691 . 1 1 55 55 VAL HG21 H 1 0.641 0.020 . 2 . . . A 55 VAL HG21 . 18135 1 692 . 1 1 55 55 VAL HG22 H 1 0.641 0.020 . 2 . . . A 55 VAL HG22 . 18135 1 693 . 1 1 55 55 VAL HG23 H 1 0.641 0.020 . 2 . . . A 55 VAL HG23 . 18135 1 694 . 1 1 55 55 VAL C C 13 177.649 0.400 . 1 . . . A 55 VAL C . 18135 1 695 . 1 1 55 55 VAL CA C 13 65.837 0.400 . 1 . . . A 55 VAL CA . 18135 1 696 . 1 1 55 55 VAL CB C 13 31.471 0.400 . 1 . . . A 55 VAL CB . 18135 1 697 . 1 1 55 55 VAL CG1 C 13 22.423 0.400 . 1 . . . A 55 VAL CG1 . 18135 1 698 . 1 1 55 55 VAL CG2 C 13 22.643 0.400 . 1 . . . A 55 VAL CG2 . 18135 1 699 . 1 1 55 55 VAL N N 15 116.355 0.400 . 1 . . . A 55 VAL N . 18135 1 700 . 1 1 56 56 LEU H H 1 8.535 0.020 . 1 . . . A 56 LEU H . 18135 1 701 . 1 1 56 56 LEU HA H 1 4.310 0.020 . 1 . . . A 56 LEU HA . 18135 1 702 . 1 1 56 56 LEU HB2 H 1 1.561 0.020 . 2 . . . A 56 LEU HB2 . 18135 1 703 . 1 1 56 56 LEU HB3 H 1 1.798 0.020 . 2 . . . A 56 LEU HB3 . 18135 1 704 . 1 1 56 56 LEU HG H 1 1.727 0.020 . 1 . . . A 56 LEU HG . 18135 1 705 . 1 1 56 56 LEU HD11 H 1 0.890 0.020 . 2 . . . A 56 LEU HD11 . 18135 1 706 . 1 1 56 56 LEU HD12 H 1 0.890 0.020 . 2 . . . A 56 LEU HD12 . 18135 1 707 . 1 1 56 56 LEU HD13 H 1 0.890 0.020 . 2 . . . A 56 LEU HD13 . 18135 1 708 . 1 1 56 56 LEU HD21 H 1 0.908 0.020 . 2 . . . A 56 LEU HD21 . 18135 1 709 . 1 1 56 56 LEU HD22 H 1 0.908 0.020 . 2 . . . A 56 LEU HD22 . 18135 1 710 . 1 1 56 56 LEU HD23 H 1 0.908 0.020 . 2 . . . A 56 LEU HD23 . 18135 1 711 . 1 1 56 56 LEU C C 13 178.637 0.400 . 1 . . . A 56 LEU C . 18135 1 712 . 1 1 56 56 LEU CA C 13 58.086 0.400 . 1 . . . A 56 LEU CA . 18135 1 713 . 1 1 56 56 LEU CB C 13 42.318 0.400 . 1 . . . A 56 LEU CB . 18135 1 714 . 1 1 56 56 LEU CG C 13 24.412 0.400 . 1 . . . A 56 LEU CG . 18135 1 715 . 1 1 56 56 LEU CD1 C 13 24.100 0.400 . 1 . . . A 56 LEU CD1 . 18135 1 716 . 1 1 56 56 LEU CD2 C 13 24.438 0.400 . 1 . . . A 56 LEU CD2 . 18135 1 717 . 1 1 56 56 LEU N N 15 123.038 0.400 . 1 . . . A 56 LEU N . 18135 1 718 . 1 1 57 57 HIS H H 1 9.047 0.020 . 1 . . . A 57 HIS H . 18135 1 719 . 1 1 57 57 HIS HA H 1 3.786 0.020 . 1 . . . A 57 HIS HA . 18135 1 720 . 1 1 57 57 HIS HB2 H 1 3.409 0.020 . 2 . . . A 57 HIS HB2 . 18135 1 721 . 1 1 57 57 HIS HB3 H 1 3.066 0.020 . 2 . . . A 57 HIS HB3 . 18135 1 722 . 1 1 57 57 HIS HD2 H 1 7.160 0.020 . 1 . . . A 57 HIS HD2 . 18135 1 723 . 1 1 57 57 HIS HE1 H 1 8.622 0.020 . 1 . . . A 57 HIS HE1 . 18135 1 724 . 1 1 57 57 HIS C C 13 175.640 0.400 . 1 . . . A 57 HIS C . 18135 1 725 . 1 1 57 57 HIS CA C 13 60.531 0.400 . 1 . . . A 57 HIS CA . 18135 1 726 . 1 1 57 57 HIS CB C 13 28.209 0.400 . 1 . . . A 57 HIS CB . 18135 1 727 . 1 1 57 57 HIS CD2 C 13 119.649 0.400 . 1 . . . A 57 HIS CD2 . 18135 1 728 . 1 1 57 57 HIS N N 15 117.041 0.400 . 1 . . . A 57 HIS N . 18135 1 729 . 1 1 58 58 GLU H H 1 7.860 0.020 . 1 . . . A 58 GLU H . 18135 1 730 . 1 1 58 58 GLU HA H 1 4.007 0.020 . 1 . . . A 58 GLU HA . 18135 1 731 . 1 1 58 58 GLU HB2 H 1 2.119 0.020 . 2 . . . A 58 GLU HB2 . 18135 1 732 . 1 1 58 58 GLU HB3 H 1 2.119 0.020 . 2 . . . A 58 GLU HB3 . 18135 1 733 . 1 1 58 58 GLU HG2 H 1 2.364 0.020 . 2 . . . A 58 GLU HG2 . 18135 1 734 . 1 1 58 58 GLU HG3 H 1 2.364 0.020 . 2 . . . A 58 GLU HG3 . 18135 1 735 . 1 1 58 58 GLU C C 13 179.029 0.400 . 1 . . . A 58 GLU C . 18135 1 736 . 1 1 58 58 GLU CA C 13 58.967 0.400 . 1 . . . A 58 GLU CA . 18135 1 737 . 1 1 58 58 GLU CB C 13 28.290 0.400 . 1 . . . A 58 GLU CB . 18135 1 738 . 1 1 58 58 GLU N N 15 119.521 0.400 . 1 . . . A 58 GLU N . 18135 1 739 . 1 1 59 59 MET H H 1 8.442 0.020 . 1 . . . A 59 MET H . 18135 1 740 . 1 1 59 59 MET HA H 1 4.074 0.020 . 1 . . . A 59 MET HA . 18135 1 741 . 1 1 59 59 MET HB2 H 1 2.501 0.020 . 2 . . . A 59 MET HB2 . 18135 1 742 . 1 1 59 59 MET HB3 H 1 2.635 0.020 . 2 . . . A 59 MET HB3 . 18135 1 743 . 1 1 59 59 MET HE1 H 1 1.995 0.020 . 1 . . . A 59 MET HE1 . 18135 1 744 . 1 1 59 59 MET HE2 H 1 1.995 0.020 . 1 . . . A 59 MET HE2 . 18135 1 745 . 1 1 59 59 MET HE3 H 1 1.995 0.020 . 1 . . . A 59 MET HE3 . 18135 1 746 . 1 1 59 59 MET C C 13 177.031 0.400 . 1 . . . A 59 MET C . 18135 1 747 . 1 1 59 59 MET CA C 13 59.408 0.400 . 1 . . . A 59 MET CA . 18135 1 748 . 1 1 59 59 MET CB C 13 32.525 0.400 . 1 . . . A 59 MET CB . 18135 1 749 . 1 1 59 59 MET CE C 13 17.991 0.400 . 1 . . . A 59 MET CE . 18135 1 750 . 1 1 59 59 MET N N 15 119.512 0.400 . 1 . . . A 59 MET N . 18135 1 751 . 1 1 60 60 ILE H H 1 8.338 0.020 . 1 . . . A 60 ILE H . 18135 1 752 . 1 1 60 60 ILE HA H 1 3.417 0.020 . 1 . . . A 60 ILE HA . 18135 1 753 . 1 1 60 60 ILE HB H 1 1.667 0.020 . 1 . . . A 60 ILE HB . 18135 1 754 . 1 1 60 60 ILE HG12 H 1 1.723 0.020 . 2 . . . A 60 ILE HG12 . 18135 1 755 . 1 1 60 60 ILE HG13 H 1 1.175 0.020 . 2 . . . A 60 ILE HG13 . 18135 1 756 . 1 1 60 60 ILE HG21 H 1 0.727 0.020 . 1 . . . A 60 ILE HG21 . 18135 1 757 . 1 1 60 60 ILE HG22 H 1 0.727 0.020 . 1 . . . A 60 ILE HG22 . 18135 1 758 . 1 1 60 60 ILE HG23 H 1 0.727 0.020 . 1 . . . A 60 ILE HG23 . 18135 1 759 . 1 1 60 60 ILE HD11 H 1 0.831 0.020 . 1 . . . A 60 ILE HD11 . 18135 1 760 . 1 1 60 60 ILE HD12 H 1 0.831 0.020 . 1 . . . A 60 ILE HD12 . 18135 1 761 . 1 1 60 60 ILE HD13 H 1 0.831 0.020 . 1 . . . A 60 ILE HD13 . 18135 1 762 . 1 1 60 60 ILE C C 13 177.524 0.400 . 1 . . . A 60 ILE C . 18135 1 763 . 1 1 60 60 ILE CA C 13 65.326 0.400 . 1 . . . A 60 ILE CA . 18135 1 764 . 1 1 60 60 ILE CB C 13 36.860 0.400 . 1 . . . A 60 ILE CB . 18135 1 765 . 1 1 60 60 ILE CG1 C 13 29.599 0.400 . 1 . . . A 60 ILE CG1 . 18135 1 766 . 1 1 60 60 ILE CG2 C 13 19.371 0.400 . 1 . . . A 60 ILE CG2 . 18135 1 767 . 1 1 60 60 ILE CD1 C 13 12.500 0.400 . 1 . . . A 60 ILE CD1 . 18135 1 768 . 1 1 60 60 ILE N N 15 117.183 0.400 . 1 . . . A 60 ILE N . 18135 1 769 . 1 1 61 61 GLN H H 1 8.234 0.020 . 1 . . . A 61 GLN H . 18135 1 770 . 1 1 61 61 GLN HA H 1 3.702 0.020 . 1 . . . A 61 GLN HA . 18135 1 771 . 1 1 61 61 GLN HB2 H 1 1.963 0.020 . 2 . . . A 61 GLN HB2 . 18135 1 772 . 1 1 61 61 GLN HB3 H 1 1.791 0.020 . 2 . . . A 61 GLN HB3 . 18135 1 773 . 1 1 61 61 GLN HG2 H 1 2.262 0.020 . 2 . . . A 61 GLN HG2 . 18135 1 774 . 1 1 61 61 GLN HG3 H 1 2.262 0.020 . 2 . . . A 61 GLN HG3 . 18135 1 775 . 1 1 61 61 GLN HE21 H 1 6.745 0.020 . 2 . . . A 61 GLN HE21 . 18135 1 776 . 1 1 61 61 GLN HE22 H 1 7.194 0.020 . 2 . . . A 61 GLN HE22 . 18135 1 777 . 1 1 61 61 GLN C C 13 178.270 0.400 . 1 . . . A 61 GLN C . 18135 1 778 . 1 1 61 61 GLN CA C 13 58.786 0.400 . 1 . . . A 61 GLN CA . 18135 1 779 . 1 1 61 61 GLN CB C 13 28.666 0.400 . 1 . . . A 61 GLN CB . 18135 1 780 . 1 1 61 61 GLN CG C 13 33.929 0.400 . 1 . . . A 61 GLN CG . 18135 1 781 . 1 1 61 61 GLN N N 15 120.191 0.400 . 1 . . . A 61 GLN N . 18135 1 782 . 1 1 61 61 GLN NE2 N 15 113.723 0.400 . 1 . . . A 61 GLN NE2 . 18135 1 783 . 1 1 62 62 GLN H H 1 8.421 0.020 . 1 . . . A 62 GLN H . 18135 1 784 . 1 1 62 62 GLN HA H 1 3.627 0.020 . 1 . . . A 62 GLN HA . 18135 1 785 . 1 1 62 62 GLN HB2 H 1 0.514 0.020 . 2 . . . A 62 GLN HB2 . 18135 1 786 . 1 1 62 62 GLN HB3 H 1 0.944 0.020 . 2 . . . A 62 GLN HB3 . 18135 1 787 . 1 1 62 62 GLN HG2 H 1 2.633 0.020 . 2 . . . A 62 GLN HG2 . 18135 1 788 . 1 1 62 62 GLN HG3 H 1 1.881 0.020 . 2 . . . A 62 GLN HG3 . 18135 1 789 . 1 1 62 62 GLN HE21 H 1 8.221 0.020 . 2 . . . A 62 GLN HE21 . 18135 1 790 . 1 1 62 62 GLN HE22 H 1 7.074 0.020 . 2 . . . A 62 GLN HE22 . 18135 1 791 . 1 1 62 62 GLN C C 13 179.685 0.400 . 1 . . . A 62 GLN C . 18135 1 792 . 1 1 62 62 GLN CA C 13 58.008 0.400 . 1 . . . A 62 GLN CA . 18135 1 793 . 1 1 62 62 GLN CB C 13 24.342 0.400 . 1 . . . A 62 GLN CB . 18135 1 794 . 1 1 62 62 GLN CG C 13 32.918 0.400 . 1 . . . A 62 GLN CG . 18135 1 795 . 1 1 62 62 GLN N N 15 116.795 0.400 . 1 . . . A 62 GLN N . 18135 1 796 . 1 1 62 62 GLN NE2 N 15 114.467 0.400 . 1 . . . A 62 GLN NE2 . 18135 1 797 . 1 1 63 63 ILE H H 1 8.164 0.020 . 1 . . . A 63 ILE H . 18135 1 798 . 1 1 63 63 ILE HA H 1 3.649 0.020 . 1 . . . A 63 ILE HA . 18135 1 799 . 1 1 63 63 ILE HB H 1 1.979 0.020 . 1 . . . A 63 ILE HB . 18135 1 800 . 1 1 63 63 ILE HG12 H 1 1.169 0.020 . 2 . . . A 63 ILE HG12 . 18135 1 801 . 1 1 63 63 ILE HG13 H 1 1.597 0.020 . 2 . . . A 63 ILE HG13 . 18135 1 802 . 1 1 63 63 ILE HG21 H 1 0.915 0.020 . 1 . . . A 63 ILE HG21 . 18135 1 803 . 1 1 63 63 ILE HG22 H 1 0.915 0.020 . 1 . . . A 63 ILE HG22 . 18135 1 804 . 1 1 63 63 ILE HG23 H 1 0.915 0.020 . 1 . . . A 63 ILE HG23 . 18135 1 805 . 1 1 63 63 ILE HD11 H 1 0.739 0.020 . 1 . . . A 63 ILE HD11 . 18135 1 806 . 1 1 63 63 ILE HD12 H 1 0.739 0.020 . 1 . . . A 63 ILE HD12 . 18135 1 807 . 1 1 63 63 ILE HD13 H 1 0.739 0.020 . 1 . . . A 63 ILE HD13 . 18135 1 808 . 1 1 63 63 ILE C C 13 177.279 0.400 . 1 . . . A 63 ILE C . 18135 1 809 . 1 1 63 63 ILE CA C 13 66.965 0.400 . 1 . . . A 63 ILE CA . 18135 1 810 . 1 1 63 63 ILE CB C 13 37.315 0.400 . 1 . . . A 63 ILE CB . 18135 1 811 . 1 1 63 63 ILE CG1 C 13 29.131 0.400 . 1 . . . A 63 ILE CG1 . 18135 1 812 . 1 1 63 63 ILE CG2 C 13 19.067 0.400 . 1 . . . A 63 ILE CG2 . 18135 1 813 . 1 1 63 63 ILE CD1 C 13 14.599 0.400 . 1 . . . A 63 ILE CD1 . 18135 1 814 . 1 1 63 63 ILE N N 15 122.797 0.400 . 1 . . . A 63 ILE N . 18135 1 815 . 1 1 64 64 PHE H H 1 8.405 0.020 . 1 . . . A 64 PHE H . 18135 1 816 . 1 1 64 64 PHE HA H 1 3.716 0.020 . 1 . . . A 64 PHE HA . 18135 1 817 . 1 1 64 64 PHE HB2 H 1 2.732 0.020 . 2 . . . A 64 PHE HB2 . 18135 1 818 . 1 1 64 64 PHE HB3 H 1 3.285 0.020 . 2 . . . A 64 PHE HB3 . 18135 1 819 . 1 1 64 64 PHE HD1 H 1 6.867 0.020 . 1 . . . A 64 PHE HD1 . 18135 1 820 . 1 1 64 64 PHE HD2 H 1 6.867 0.020 . 1 . . . A 64 PHE HD2 . 18135 1 821 . 1 1 64 64 PHE C C 13 178.402 0.400 . 1 . . . A 64 PHE C . 18135 1 822 . 1 1 64 64 PHE CA C 13 62.152 0.400 . 1 . . . A 64 PHE CA . 18135 1 823 . 1 1 64 64 PHE CB C 13 38.510 0.400 . 1 . . . A 64 PHE CB . 18135 1 824 . 1 1 64 64 PHE N N 15 120.820 0.400 . 1 . . . A 64 PHE N . 18135 1 825 . 1 1 65 65 ASN H H 1 8.812 0.020 . 1 . . . A 65 ASN H . 18135 1 826 . 1 1 65 65 ASN HA H 1 4.063 0.020 . 1 . . . A 65 ASN HA . 18135 1 827 . 1 1 65 65 ASN HB2 H 1 2.849 0.020 . 2 . . . A 65 ASN HB2 . 18135 1 828 . 1 1 65 65 ASN HB3 H 1 2.849 0.020 . 2 . . . A 65 ASN HB3 . 18135 1 829 . 1 1 65 65 ASN HD21 H 1 7.093 0.020 . 2 . . . A 65 ASN HD21 . 18135 1 830 . 1 1 65 65 ASN HD22 H 1 7.109 0.020 . 2 . . . A 65 ASN HD22 . 18135 1 831 . 1 1 65 65 ASN C C 13 177.944 0.400 . 1 . . . A 65 ASN C . 18135 1 832 . 1 1 65 65 ASN CA C 13 55.868 0.400 . 1 . . . A 65 ASN CA . 18135 1 833 . 1 1 65 65 ASN CB C 13 37.256 0.400 . 1 . . . A 65 ASN CB . 18135 1 834 . 1 1 65 65 ASN N N 15 119.981 0.400 . 1 . . . A 65 ASN N . 18135 1 835 . 1 1 65 65 ASN ND2 N 15 108.789 0.400 . 1 . . . A 65 ASN ND2 . 18135 1 836 . 1 1 66 66 LEU H H 1 8.177 0.020 . 1 . . . A 66 LEU H . 18135 1 837 . 1 1 66 66 LEU HA H 1 4.223 0.020 . 1 . . . A 66 LEU HA . 18135 1 838 . 1 1 66 66 LEU HB2 H 1 2.190 0.020 . 2 . . . A 66 LEU HB2 . 18135 1 839 . 1 1 66 66 LEU HB3 H 1 1.702 0.020 . 2 . . . A 66 LEU HB3 . 18135 1 840 . 1 1 66 66 LEU HG H 1 1.217 0.020 . 1 . . . A 66 LEU HG . 18135 1 841 . 1 1 66 66 LEU HD11 H 1 0.855 0.020 . 2 . . . A 66 LEU HD11 . 18135 1 842 . 1 1 66 66 LEU HD12 H 1 0.855 0.020 . 2 . . . A 66 LEU HD12 . 18135 1 843 . 1 1 66 66 LEU HD13 H 1 0.855 0.020 . 2 . . . A 66 LEU HD13 . 18135 1 844 . 1 1 66 66 LEU HD21 H 1 0.861 0.020 . 2 . . . A 66 LEU HD21 . 18135 1 845 . 1 1 66 66 LEU HD22 H 1 0.861 0.020 . 2 . . . A 66 LEU HD22 . 18135 1 846 . 1 1 66 66 LEU HD23 H 1 0.861 0.020 . 2 . . . A 66 LEU HD23 . 18135 1 847 . 1 1 66 66 LEU C C 13 177.777 0.400 . 1 . . . A 66 LEU C . 18135 1 848 . 1 1 66 66 LEU CA C 13 58.268 0.400 . 1 . . . A 66 LEU CA . 18135 1 849 . 1 1 66 66 LEU CB C 13 42.607 0.400 . 1 . . . A 66 LEU CB . 18135 1 850 . 1 1 66 66 LEU CG C 13 27.137 0.400 . 1 . . . A 66 LEU CG . 18135 1 851 . 1 1 66 66 LEU CD1 C 13 22.445 0.400 . 1 . . . A 66 LEU CD1 . 18135 1 852 . 1 1 66 66 LEU CD2 C 13 27.386 0.400 . 1 . . . A 66 LEU CD2 . 18135 1 853 . 1 1 66 66 LEU N N 15 121.533 0.400 . 1 . . . A 66 LEU N . 18135 1 854 . 1 1 67 67 PHE H H 1 8.160 0.020 . 1 . . . A 67 PHE H . 18135 1 855 . 1 1 67 67 PHE HA H 1 4.880 0.020 . 1 . . . A 67 PHE HA . 18135 1 856 . 1 1 67 67 PHE HB2 H 1 3.379 0.020 . 2 . . . A 67 PHE HB2 . 18135 1 857 . 1 1 67 67 PHE HB3 H 1 3.944 0.020 . 2 . . . A 67 PHE HB3 . 18135 1 858 . 1 1 67 67 PHE HD1 H 1 7.446 0.020 . 1 . . . A 67 PHE HD1 . 18135 1 859 . 1 1 67 67 PHE HD2 H 1 7.446 0.020 . 1 . . . A 67 PHE HD2 . 18135 1 860 . 1 1 67 67 PHE HE1 H 1 6.786 0.020 . 1 . . . A 67 PHE HE1 . 18135 1 861 . 1 1 67 67 PHE HE2 H 1 6.786 0.020 . 1 . . . A 67 PHE HE2 . 18135 1 862 . 1 1 67 67 PHE HZ H 1 6.753 0.020 . 1 . . . A 67 PHE HZ . 18135 1 863 . 1 1 67 67 PHE C C 13 177.965 0.400 . 1 . . . A 67 PHE C . 18135 1 864 . 1 1 67 67 PHE CA C 13 59.534 0.400 . 1 . . . A 67 PHE CA . 18135 1 865 . 1 1 67 67 PHE CB C 13 38.616 0.400 . 1 . . . A 67 PHE CB . 18135 1 866 . 1 1 67 67 PHE CD1 C 13 130.900 0.400 . 1 . . . A 67 PHE CD1 . 18135 1 867 . 1 1 67 67 PHE CD2 C 13 130.900 0.400 . 1 . . . A 67 PHE CD2 . 18135 1 868 . 1 1 67 67 PHE CE1 C 13 130.791 0.400 . 1 . . . A 67 PHE CE1 . 18135 1 869 . 1 1 67 67 PHE CE2 C 13 130.791 0.400 . 1 . . . A 67 PHE CE2 . 18135 1 870 . 1 1 67 67 PHE CZ C 13 127.650 0.400 . 1 . . . A 67 PHE CZ . 18135 1 871 . 1 1 67 67 PHE N N 15 110.842 0.400 . 1 . . . A 67 PHE N . 18135 1 872 . 1 1 68 68 SER H H 1 8.016 0.020 . 1 . . . A 68 SER H . 18135 1 873 . 1 1 68 68 SER HA H 1 4.580 0.020 . 1 . . . A 68 SER HA . 18135 1 874 . 1 1 68 68 SER HB2 H 1 3.070 0.020 . 2 . . . A 68 SER HB2 . 18135 1 875 . 1 1 68 68 SER HB3 H 1 3.594 0.020 . 2 . . . A 68 SER HB3 . 18135 1 876 . 1 1 68 68 SER C C 13 173.472 0.400 . 1 . . . A 68 SER C . 18135 1 877 . 1 1 68 68 SER CA C 13 59.191 0.400 . 1 . . . A 68 SER CA . 18135 1 878 . 1 1 68 68 SER CB C 13 63.123 0.400 . 1 . . . A 68 SER CB . 18135 1 879 . 1 1 68 68 SER N N 15 119.131 0.400 . 1 . . . A 68 SER N . 18135 1 880 . 1 1 69 69 THR H H 1 6.977 0.020 . 1 . . . A 69 THR H . 18135 1 881 . 1 1 69 69 THR HA H 1 4.345 0.020 . 1 . . . A 69 THR HA . 18135 1 882 . 1 1 69 69 THR HB H 1 4.652 0.020 . 1 . . . A 69 THR HB . 18135 1 883 . 1 1 69 69 THR HG21 H 1 1.510 0.020 . 1 . . . A 69 THR HG21 . 18135 1 884 . 1 1 69 69 THR HG22 H 1 1.510 0.020 . 1 . . . A 69 THR HG22 . 18135 1 885 . 1 1 69 69 THR HG23 H 1 1.510 0.020 . 1 . . . A 69 THR HG23 . 18135 1 886 . 1 1 69 69 THR C C 13 175.661 0.400 . 1 . . . A 69 THR C . 18135 1 887 . 1 1 69 69 THR CA C 13 61.411 0.400 . 1 . . . A 69 THR CA . 18135 1 888 . 1 1 69 69 THR CB C 13 72.209 0.400 . 1 . . . A 69 THR CB . 18135 1 889 . 1 1 69 69 THR CG2 C 13 21.405 0.400 . 1 . . . A 69 THR CG2 . 18135 1 890 . 1 1 69 69 THR N N 15 111.353 0.400 . 1 . . . A 69 THR N . 18135 1 891 . 1 1 70 70 LYS H H 1 9.065 0.020 . 1 . . . A 70 LYS H . 18135 1 892 . 1 1 70 70 LYS HA H 1 4.089 0.020 . 1 . . . A 70 LYS HA . 18135 1 893 . 1 1 70 70 LYS HB2 H 1 1.784 0.020 . 2 . . . A 70 LYS HB2 . 18135 1 894 . 1 1 70 70 LYS HB3 H 1 1.784 0.020 . 2 . . . A 70 LYS HB3 . 18135 1 895 . 1 1 70 70 LYS HG2 H 1 1.387 0.020 . 2 . . . A 70 LYS HG2 . 18135 1 896 . 1 1 70 70 LYS HG3 H 1 1.343 0.020 . 2 . . . A 70 LYS HG3 . 18135 1 897 . 1 1 70 70 LYS HD2 H 1 1.332 0.020 . 2 . . . A 70 LYS HD2 . 18135 1 898 . 1 1 70 70 LYS HD3 H 1 1.332 0.020 . 2 . . . A 70 LYS HD3 . 18135 1 899 . 1 1 70 70 LYS HE2 H 1 2.959 0.020 . 2 . . . A 70 LYS HE2 . 18135 1 900 . 1 1 70 70 LYS HE3 H 1 2.959 0.020 . 2 . . . A 70 LYS HE3 . 18135 1 901 . 1 1 70 70 LYS C C 13 179.259 0.400 . 1 . . . A 70 LYS C . 18135 1 902 . 1 1 70 70 LYS CA C 13 57.956 0.400 . 1 . . . A 70 LYS CA . 18135 1 903 . 1 1 70 70 LYS CB C 13 31.750 0.400 . 1 . . . A 70 LYS CB . 18135 1 904 . 1 1 70 70 LYS CG C 13 24.690 0.400 . 1 . . . A 70 LYS CG . 18135 1 905 . 1 1 70 70 LYS CD C 13 24.490 0.400 . 1 . . . A 70 LYS CD . 18135 1 906 . 1 1 70 70 LYS CE C 13 42.026 0.400 . 1 . . . A 70 LYS CE . 18135 1 907 . 1 1 70 70 LYS N N 15 121.120 0.400 . 1 . . . A 70 LYS N . 18135 1 908 . 1 1 71 71 ASP H H 1 7.518 0.020 . 1 . . . A 71 ASP H . 18135 1 909 . 1 1 71 71 ASP HA H 1 4.175 0.020 . 1 . . . A 71 ASP HA . 18135 1 910 . 1 1 71 71 ASP HB2 H 1 2.303 0.020 . 2 . . . A 71 ASP HB2 . 18135 1 911 . 1 1 71 71 ASP HB3 H 1 2.338 0.020 . 2 . . . A 71 ASP HB3 . 18135 1 912 . 1 1 71 71 ASP C C 13 178.372 0.400 . 1 . . . A 71 ASP C . 18135 1 913 . 1 1 71 71 ASP CA C 13 57.067 0.400 . 1 . . . A 71 ASP CA . 18135 1 914 . 1 1 71 71 ASP CB C 13 40.306 0.400 . 1 . . . A 71 ASP CB . 18135 1 915 . 1 1 71 71 ASP N N 15 116.374 0.400 . 1 . . . A 71 ASP N . 18135 1 916 . 1 1 72 72 SER H H 1 8.066 0.020 . 1 . . . A 72 SER H . 18135 1 917 . 1 1 72 72 SER HA H 1 3.715 0.020 . 1 . . . A 72 SER HA . 18135 1 918 . 1 1 72 72 SER HB2 H 1 4.057 0.020 . 2 . . . A 72 SER HB2 . 18135 1 919 . 1 1 72 72 SER HB3 H 1 4.021 0.020 . 2 . . . A 72 SER HB3 . 18135 1 920 . 1 1 72 72 SER C C 13 176.897 0.400 . 1 . . . A 72 SER C . 18135 1 921 . 1 1 72 72 SER CA C 13 60.267 0.400 . 1 . . . A 72 SER CA . 18135 1 922 . 1 1 72 72 SER CB C 13 62.616 0.400 . 1 . . . A 72 SER CB . 18135 1 923 . 1 1 72 72 SER N N 15 117.341 0.400 . 1 . . . A 72 SER N . 18135 1 924 . 1 1 73 73 SER H H 1 7.982 0.020 . 1 . . . A 73 SER H . 18135 1 925 . 1 1 73 73 SER HA H 1 4.094 0.020 . 1 . . . A 73 SER HA . 18135 1 926 . 1 1 73 73 SER HB2 H 1 3.925 0.020 . 2 . . . A 73 SER HB2 . 18135 1 927 . 1 1 73 73 SER HB3 H 1 3.902 0.020 . 2 . . . A 73 SER HB3 . 18135 1 928 . 1 1 73 73 SER C C 13 174.855 0.400 . 1 . . . A 73 SER C . 18135 1 929 . 1 1 73 73 SER CA C 13 61.385 0.400 . 1 . . . A 73 SER CA . 18135 1 930 . 1 1 73 73 SER CB C 13 62.798 0.400 . 1 . . . A 73 SER CB . 18135 1 931 . 1 1 73 73 SER N N 15 113.398 0.400 . 1 . . . A 73 SER N . 18135 1 932 . 1 1 74 74 ALA H H 1 7.095 0.020 . 1 . . . A 74 ALA H . 18135 1 933 . 1 1 74 74 ALA HA H 1 4.157 0.020 . 1 . . . A 74 ALA HA . 18135 1 934 . 1 1 74 74 ALA HB1 H 1 1.264 0.020 . 1 . . . A 74 ALA HB1 . 18135 1 935 . 1 1 74 74 ALA HB2 H 1 1.264 0.020 . 1 . . . A 74 ALA HB2 . 18135 1 936 . 1 1 74 74 ALA HB3 H 1 1.264 0.020 . 1 . . . A 74 ALA HB3 . 18135 1 937 . 1 1 74 74 ALA C C 13 177.626 0.400 . 1 . . . A 74 ALA C . 18135 1 938 . 1 1 74 74 ALA CA C 13 52.713 0.400 . 1 . . . A 74 ALA CA . 18135 1 939 . 1 1 74 74 ALA CB C 13 18.747 0.400 . 1 . . . A 74 ALA CB . 18135 1 940 . 1 1 74 74 ALA N N 15 119.486 0.400 . 1 . . . A 74 ALA N . 18135 1 941 . 1 1 75 75 ALA H H 1 7.159 0.020 . 1 . . . A 75 ALA H . 18135 1 942 . 1 1 75 75 ALA HA H 1 3.696 0.020 . 1 . . . A 75 ALA HA . 18135 1 943 . 1 1 75 75 ALA HB1 H 1 -0.287 0.020 . 1 . . . A 75 ALA HB1 . 18135 1 944 . 1 1 75 75 ALA HB2 H 1 -0.287 0.020 . 1 . . . A 75 ALA HB2 . 18135 1 945 . 1 1 75 75 ALA HB3 H 1 -0.287 0.020 . 1 . . . A 75 ALA HB3 . 18135 1 946 . 1 1 75 75 ALA C C 13 177.197 0.400 . 1 . . . A 75 ALA C . 18135 1 947 . 1 1 75 75 ALA CA C 13 53.004 0.400 . 1 . . . A 75 ALA CA . 18135 1 948 . 1 1 75 75 ALA CB C 13 18.260 0.400 . 1 . . . A 75 ALA CB . 18135 1 949 . 1 1 75 75 ALA N N 15 121.465 0.400 . 1 . . . A 75 ALA N . 18135 1 950 . 1 1 76 76 TRP H H 1 7.080 0.020 . 1 . . . A 76 TRP H . 18135 1 951 . 1 1 76 76 TRP HA H 1 5.050 0.020 . 1 . . . A 76 TRP HA . 18135 1 952 . 1 1 76 76 TRP HB2 H 1 2.670 0.020 . 2 . . . A 76 TRP HB2 . 18135 1 953 . 1 1 76 76 TRP HB3 H 1 3.001 0.020 . 2 . . . A 76 TRP HB3 . 18135 1 954 . 1 1 76 76 TRP HD1 H 1 7.267 0.020 . 1 . . . A 76 TRP HD1 . 18135 1 955 . 1 1 76 76 TRP HE1 H 1 6.772 0.020 . 1 . . . A 76 TRP HE1 . 18135 1 956 . 1 1 76 76 TRP HE3 H 1 7.570 0.020 . 1 . . . A 76 TRP HE3 . 18135 1 957 . 1 1 76 76 TRP HZ2 H 1 7.780 0.020 . 1 . . . A 76 TRP HZ2 . 18135 1 958 . 1 1 76 76 TRP HZ3 H 1 7.290 0.020 . 1 . . . A 76 TRP HZ3 . 18135 1 959 . 1 1 76 76 TRP HH2 H 1 7.112 0.020 . 1 . . . A 76 TRP HH2 . 18135 1 960 . 1 1 76 76 TRP C C 13 177.617 0.400 . 1 . . . A 76 TRP C . 18135 1 961 . 1 1 76 76 TRP CA C 13 53.319 0.400 . 1 . . . A 76 TRP CA . 18135 1 962 . 1 1 76 76 TRP CB C 13 33.076 0.400 . 1 . . . A 76 TRP CB . 18135 1 963 . 1 1 76 76 TRP CD1 C 13 129.771 0.400 . 1 . . . A 76 TRP CD1 . 18135 1 964 . 1 1 76 76 TRP CE3 C 13 122.400 0.400 . 1 . . . A 76 TRP CE3 . 18135 1 965 . 1 1 76 76 TRP CZ2 C 13 114.200 0.400 . 1 . . . A 76 TRP CZ2 . 18135 1 966 . 1 1 76 76 TRP CZ3 C 13 122.400 0.400 . 1 . . . A 76 TRP CZ3 . 18135 1 967 . 1 1 76 76 TRP CH2 C 13 124.405 0.400 . 1 . . . A 76 TRP CH2 . 18135 1 968 . 1 1 76 76 TRP N N 15 116.791 0.400 . 1 . . . A 76 TRP N . 18135 1 969 . 1 1 76 76 TRP NE1 N 15 122.020 0.400 . 1 . . . A 76 TRP NE1 . 18135 1 970 . 1 1 77 77 ASP H H 1 8.259 0.020 . 1 . . . A 77 ASP H . 18135 1 971 . 1 1 77 77 ASP HA H 1 4.357 0.020 . 1 . . . A 77 ASP HA . 18135 1 972 . 1 1 77 77 ASP HB2 H 1 2.559 0.020 . 2 . . . A 77 ASP HB2 . 18135 1 973 . 1 1 77 77 ASP HB3 H 1 2.694 0.020 . 2 . . . A 77 ASP HB3 . 18135 1 974 . 1 1 77 77 ASP C C 13 176.877 0.400 . 1 . . . A 77 ASP C . 18135 1 975 . 1 1 77 77 ASP CA C 13 54.818 0.400 . 1 . . . A 77 ASP CA . 18135 1 976 . 1 1 77 77 ASP CB C 13 42.615 0.400 . 1 . . . A 77 ASP CB . 18135 1 977 . 1 1 77 77 ASP N N 15 119.928 0.400 . 1 . . . A 77 ASP N . 18135 1 978 . 1 1 78 78 GLU H H 1 8.920 0.020 . 1 . . . A 78 GLU H . 18135 1 979 . 1 1 78 78 GLU HA H 1 3.885 0.020 . 1 . . . A 78 GLU HA . 18135 1 980 . 1 1 78 78 GLU HB2 H 1 2.065 0.020 . 2 . . . A 78 GLU HB2 . 18135 1 981 . 1 1 78 78 GLU HB3 H 1 2.228 0.020 . 2 . . . A 78 GLU HB3 . 18135 1 982 . 1 1 78 78 GLU HG2 H 1 2.578 0.020 . 2 . . . A 78 GLU HG2 . 18135 1 983 . 1 1 78 78 GLU HG3 H 1 2.428 0.020 . 2 . . . A 78 GLU HG3 . 18135 1 984 . 1 1 78 78 GLU C C 13 177.439 0.400 . 1 . . . A 78 GLU C . 18135 1 985 . 1 1 78 78 GLU CA C 13 59.384 0.400 . 1 . . . A 78 GLU CA . 18135 1 986 . 1 1 78 78 GLU CB C 13 28.642 0.400 . 1 . . . A 78 GLU CB . 18135 1 987 . 1 1 78 78 GLU CG C 13 34.442 0.400 . 1 . . . A 78 GLU CG . 18135 1 988 . 1 1 78 78 GLU N N 15 127.277 0.400 . 1 . . . A 78 GLU N . 18135 1 989 . 1 1 79 79 THR H H 1 8.124 0.020 . 1 . . . A 79 THR H . 18135 1 990 . 1 1 79 79 THR HA H 1 3.907 0.020 . 1 . . . A 79 THR HA . 18135 1 991 . 1 1 79 79 THR HB H 1 4.217 0.020 . 1 . . . A 79 THR HB . 18135 1 992 . 1 1 79 79 THR HG21 H 1 1.190 0.020 . 1 . . . A 79 THR HG21 . 18135 1 993 . 1 1 79 79 THR HG22 H 1 1.190 0.020 . 1 . . . A 79 THR HG22 . 18135 1 994 . 1 1 79 79 THR HG23 H 1 1.190 0.020 . 1 . . . A 79 THR HG23 . 18135 1 995 . 1 1 79 79 THR C C 13 177.330 0.400 . 1 . . . A 79 THR C . 18135 1 996 . 1 1 79 79 THR CA C 13 66.263 0.400 . 1 . . . A 79 THR CA . 18135 1 997 . 1 1 79 79 THR CB C 13 68.002 0.400 . 1 . . . A 79 THR CB . 18135 1 998 . 1 1 79 79 THR CG2 C 13 21.247 0.400 . 1 . . . A 79 THR CG2 . 18135 1 999 . 1 1 79 79 THR N N 15 115.422 0.400 . 1 . . . A 79 THR N . 18135 1 1000 . 1 1 80 80 LEU H H 1 7.725 0.020 . 1 . . . A 80 LEU H . 18135 1 1001 . 1 1 80 80 LEU HA H 1 3.887 0.020 . 1 . . . A 80 LEU HA . 18135 1 1002 . 1 1 80 80 LEU HB2 H 1 1.050 0.020 . 2 . . . A 80 LEU HB2 . 18135 1 1003 . 1 1 80 80 LEU HB3 H 1 1.747 0.020 . 2 . . . A 80 LEU HB3 . 18135 1 1004 . 1 1 80 80 LEU HG H 1 1.582 0.020 . 1 . . . A 80 LEU HG . 18135 1 1005 . 1 1 80 80 LEU HD11 H 1 0.731 0.020 . 2 . . . A 80 LEU HD11 . 18135 1 1006 . 1 1 80 80 LEU HD12 H 1 0.731 0.020 . 2 . . . A 80 LEU HD12 . 18135 1 1007 . 1 1 80 80 LEU HD13 H 1 0.731 0.020 . 2 . . . A 80 LEU HD13 . 18135 1 1008 . 1 1 80 80 LEU HD21 H 1 0.640 0.020 . 2 . . . A 80 LEU HD21 . 18135 1 1009 . 1 1 80 80 LEU HD22 H 1 0.640 0.020 . 2 . . . A 80 LEU HD22 . 18135 1 1010 . 1 1 80 80 LEU HD23 H 1 0.640 0.020 . 2 . . . A 80 LEU HD23 . 18135 1 1011 . 1 1 80 80 LEU C C 13 179.018 0.400 . 1 . . . A 80 LEU C . 18135 1 1012 . 1 1 80 80 LEU CA C 13 57.239 0.400 . 1 . . . A 80 LEU CA . 18135 1 1013 . 1 1 80 80 LEU CB C 13 41.652 0.400 . 1 . . . A 80 LEU CB . 18135 1 1014 . 1 1 80 80 LEU CG C 13 26.073 0.400 . 1 . . . A 80 LEU CG . 18135 1 1015 . 1 1 80 80 LEU CD1 C 13 26.238 0.400 . 1 . . . A 80 LEU CD1 . 18135 1 1016 . 1 1 80 80 LEU CD2 C 13 22.729 0.400 . 1 . . . A 80 LEU CD2 . 18135 1 1017 . 1 1 80 80 LEU N N 15 121.791 0.400 . 1 . . . A 80 LEU N . 18135 1 1018 . 1 1 81 81 LEU H H 1 8.344 0.020 . 1 . . . A 81 LEU H . 18135 1 1019 . 1 1 81 81 LEU HA H 1 3.489 0.020 . 1 . . . A 81 LEU HA . 18135 1 1020 . 1 1 81 81 LEU HB2 H 1 1.041 0.020 . 2 . . . A 81 LEU HB2 . 18135 1 1021 . 1 1 81 81 LEU HB3 H 1 1.702 0.020 . 2 . . . A 81 LEU HB3 . 18135 1 1022 . 1 1 81 81 LEU HG H 1 1.465 0.020 . 1 . . . A 81 LEU HG . 18135 1 1023 . 1 1 81 81 LEU HD11 H 1 0.905 0.020 . 2 . . . A 81 LEU HD11 . 18135 1 1024 . 1 1 81 81 LEU HD12 H 1 0.905 0.020 . 2 . . . A 81 LEU HD12 . 18135 1 1025 . 1 1 81 81 LEU HD13 H 1 0.905 0.020 . 2 . . . A 81 LEU HD13 . 18135 1 1026 . 1 1 81 81 LEU HD21 H 1 0.786 0.020 . 2 . . . A 81 LEU HD21 . 18135 1 1027 . 1 1 81 81 LEU HD22 H 1 0.786 0.020 . 2 . . . A 81 LEU HD22 . 18135 1 1028 . 1 1 81 81 LEU HD23 H 1 0.786 0.020 . 2 . . . A 81 LEU HD23 . 18135 1 1029 . 1 1 81 81 LEU C C 13 177.062 0.400 . 1 . . . A 81 LEU C . 18135 1 1030 . 1 1 81 81 LEU CA C 13 57.709 0.400 . 1 . . . A 81 LEU CA . 18135 1 1031 . 1 1 81 81 LEU CB C 13 40.948 0.400 . 1 . . . A 81 LEU CB . 18135 1 1032 . 1 1 81 81 LEU CG C 13 26.475 0.400 . 1 . . . A 81 LEU CG . 18135 1 1033 . 1 1 81 81 LEU CD1 C 13 25.660 0.400 . 1 . . . A 81 LEU CD1 . 18135 1 1034 . 1 1 81 81 LEU CD2 C 13 23.285 0.400 . 1 . . . A 81 LEU CD2 . 18135 1 1035 . 1 1 81 81 LEU N N 15 119.280 0.400 . 1 . . . A 81 LEU N . 18135 1 1036 . 1 1 82 82 ASP H H 1 8.001 0.020 . 1 . . . A 82 ASP H . 18135 1 1037 . 1 1 82 82 ASP HA H 1 4.274 0.020 . 1 . . . A 82 ASP HA . 18135 1 1038 . 1 1 82 82 ASP HB2 H 1 2.850 0.020 . 2 . . . A 82 ASP HB2 . 18135 1 1039 . 1 1 82 82 ASP HB3 H 1 2.861 0.020 . 2 . . . A 82 ASP HB3 . 18135 1 1040 . 1 1 82 82 ASP C C 13 179.018 0.400 . 1 . . . A 82 ASP C . 18135 1 1041 . 1 1 82 82 ASP CA C 13 56.815 0.400 . 1 . . . A 82 ASP CA . 18135 1 1042 . 1 1 82 82 ASP CB C 13 38.221 0.400 . 1 . . . A 82 ASP CB . 18135 1 1043 . 1 1 82 82 ASP N N 15 115.357 0.400 . 1 . . . A 82 ASP N . 18135 1 1044 . 1 1 83 83 LYS H H 1 7.342 0.020 . 1 . . . A 83 LYS H . 18135 1 1045 . 1 1 83 83 LYS HA H 1 3.982 0.020 . 1 . . . A 83 LYS HA . 18135 1 1046 . 1 1 83 83 LYS HB2 H 1 1.852 0.020 . 2 . . . A 83 LYS HB2 . 18135 1 1047 . 1 1 83 83 LYS HB3 H 1 1.679 0.020 . 2 . . . A 83 LYS HB3 . 18135 1 1048 . 1 1 83 83 LYS HG2 H 1 1.476 0.020 . 2 . . . A 83 LYS HG2 . 18135 1 1049 . 1 1 83 83 LYS HG3 H 1 1.476 0.020 . 2 . . . A 83 LYS HG3 . 18135 1 1050 . 1 1 83 83 LYS HE2 H 1 3.041 0.020 . 2 . . . A 83 LYS HE2 . 18135 1 1051 . 1 1 83 83 LYS HE3 H 1 3.041 0.020 . 2 . . . A 83 LYS HE3 . 18135 1 1052 . 1 1 83 83 LYS C C 13 178.624 0.400 . 1 . . . A 83 LYS C . 18135 1 1053 . 1 1 83 83 LYS CA C 13 59.745 0.400 . 1 . . . A 83 LYS CA . 18135 1 1054 . 1 1 83 83 LYS CB C 13 33.106 0.400 . 1 . . . A 83 LYS CB . 18135 1 1055 . 1 1 83 83 LYS CG C 13 29.520 0.400 . 1 . . . A 83 LYS CG . 18135 1 1056 . 1 1 83 83 LYS CE C 13 38.245 0.400 . 1 . . . A 83 LYS CE . 18135 1 1057 . 1 1 83 83 LYS N N 15 119.603 0.400 . 1 . . . A 83 LYS N . 18135 1 1058 . 1 1 84 84 PHE H H 1 8.471 0.020 . 1 . . . A 84 PHE H . 18135 1 1059 . 1 1 84 84 PHE HA H 1 4.035 0.020 . 1 . . . A 84 PHE HA . 18135 1 1060 . 1 1 84 84 PHE HB2 H 1 2.737 0.020 . 2 . . . A 84 PHE HB2 . 18135 1 1061 . 1 1 84 84 PHE HB3 H 1 3.075 0.020 . 2 . . . A 84 PHE HB3 . 18135 1 1062 . 1 1 84 84 PHE HD1 H 1 6.663 0.020 . 1 . . . A 84 PHE HD1 . 18135 1 1063 . 1 1 84 84 PHE HD2 H 1 6.663 0.020 . 1 . . . A 84 PHE HD2 . 18135 1 1064 . 1 1 84 84 PHE HE1 H 1 6.404 0.020 . 1 . . . A 84 PHE HE1 . 18135 1 1065 . 1 1 84 84 PHE HE2 H 1 6.404 0.020 . 1 . . . A 84 PHE HE2 . 18135 1 1066 . 1 1 84 84 PHE HZ H 1 6.158 0.020 . 1 . . . A 84 PHE HZ . 18135 1 1067 . 1 1 84 84 PHE C C 13 177.210 0.400 . 1 . . . A 84 PHE C . 18135 1 1068 . 1 1 84 84 PHE CA C 13 60.343 0.400 . 1 . . . A 84 PHE CA . 18135 1 1069 . 1 1 84 84 PHE CB C 13 39.316 0.400 . 1 . . . A 84 PHE CB . 18135 1 1070 . 1 1 84 84 PHE CD1 C 13 130.664 0.400 . 1 . . . A 84 PHE CD1 . 18135 1 1071 . 1 1 84 84 PHE CD2 C 13 130.664 0.400 . 1 . . . A 84 PHE CD2 . 18135 1 1072 . 1 1 84 84 PHE CE1 C 13 130.564 0.400 . 1 . . . A 84 PHE CE1 . 18135 1 1073 . 1 1 84 84 PHE CE2 C 13 130.564 0.400 . 1 . . . A 84 PHE CE2 . 18135 1 1074 . 1 1 84 84 PHE CZ C 13 128.400 0.400 . 1 . . . A 84 PHE CZ . 18135 1 1075 . 1 1 84 84 PHE N N 15 123.933 0.400 . 1 . . . A 84 PHE N . 18135 1 1076 . 1 1 85 85 TYR H H 1 9.011 0.020 . 1 . . . A 85 TYR H . 18135 1 1077 . 1 1 85 85 TYR HA H 1 4.068 0.020 . 1 . . . A 85 TYR HA . 18135 1 1078 . 1 1 85 85 TYR HB2 H 1 3.244 0.020 . 2 . . . A 85 TYR HB2 . 18135 1 1079 . 1 1 85 85 TYR HB3 H 1 3.221 0.020 . 2 . . . A 85 TYR HB3 . 18135 1 1080 . 1 1 85 85 TYR HD1 H 1 6.851 0.020 . 1 . . . A 85 TYR HD1 . 18135 1 1081 . 1 1 85 85 TYR HD2 H 1 6.851 0.020 . 1 . . . A 85 TYR HD2 . 18135 1 1082 . 1 1 85 85 TYR HE1 H 1 6.439 0.020 . 1 . . . A 85 TYR HE1 . 18135 1 1083 . 1 1 85 85 TYR HE2 H 1 6.439 0.020 . 1 . . . A 85 TYR HE2 . 18135 1 1084 . 1 1 85 85 TYR C C 13 178.104 0.400 . 1 . . . A 85 TYR C . 18135 1 1085 . 1 1 85 85 TYR CA C 13 58.577 0.400 . 1 . . . A 85 TYR CA . 18135 1 1086 . 1 1 85 85 TYR CB C 13 36.977 0.400 . 1 . . . A 85 TYR CB . 18135 1 1087 . 1 1 85 85 TYR CD1 C 13 132.536 0.400 . 1 . . . A 85 TYR CD1 . 18135 1 1088 . 1 1 85 85 TYR CD2 C 13 132.536 0.400 . 1 . . . A 85 TYR CD2 . 18135 1 1089 . 1 1 85 85 TYR N N 15 118.387 0.400 . 1 . . . A 85 TYR N . 18135 1 1090 . 1 1 86 86 THR H H 1 7.609 0.020 . 1 . . . A 86 THR H . 18135 1 1091 . 1 1 86 86 THR HA H 1 3.945 0.020 . 1 . . . A 86 THR HA . 18135 1 1092 . 1 1 86 86 THR HB H 1 4.242 0.020 . 1 . . . A 86 THR HB . 18135 1 1093 . 1 1 86 86 THR HG21 H 1 1.232 0.020 . 1 . . . A 86 THR HG21 . 18135 1 1094 . 1 1 86 86 THR HG22 H 1 1.232 0.020 . 1 . . . A 86 THR HG22 . 18135 1 1095 . 1 1 86 86 THR HG23 H 1 1.232 0.020 . 1 . . . A 86 THR HG23 . 18135 1 1096 . 1 1 86 86 THR C C 13 176.708 0.400 . 1 . . . A 86 THR C . 18135 1 1097 . 1 1 86 86 THR CA C 13 66.759 0.400 . 1 . . . A 86 THR CA . 18135 1 1098 . 1 1 86 86 THR CB C 13 68.853 0.400 . 1 . . . A 86 THR CB . 18135 1 1099 . 1 1 86 86 THR CG2 C 13 21.886 0.400 . 1 . . . A 86 THR CG2 . 18135 1 1100 . 1 1 86 86 THR N N 15 114.035 0.400 . 1 . . . A 86 THR N . 18135 1 1101 . 1 1 87 87 GLU H H 1 7.712 0.020 . 1 . . . A 87 GLU H . 18135 1 1102 . 1 1 87 87 GLU HA H 1 4.047 0.020 . 1 . . . A 87 GLU HA . 18135 1 1103 . 1 1 87 87 GLU HB2 H 1 1.835 0.020 . 2 . . . A 87 GLU HB2 . 18135 1 1104 . 1 1 87 87 GLU HB3 H 1 2.091 0.020 . 2 . . . A 87 GLU HB3 . 18135 1 1105 . 1 1 87 87 GLU HG2 H 1 2.377 0.020 . 2 . . . A 87 GLU HG2 . 18135 1 1106 . 1 1 87 87 GLU HG3 H 1 2.377 0.020 . 2 . . . A 87 GLU HG3 . 18135 1 1107 . 1 1 87 87 GLU C C 13 179.606 0.400 . 1 . . . A 87 GLU C . 18135 1 1108 . 1 1 87 87 GLU CA C 13 58.398 0.400 . 1 . . . A 87 GLU CA . 18135 1 1109 . 1 1 87 87 GLU CB C 13 28.286 0.400 . 1 . . . A 87 GLU CB . 18135 1 1110 . 1 1 87 87 GLU CG C 13 33.969 0.400 . 1 . . . A 87 GLU CG . 18135 1 1111 . 1 1 87 87 GLU N N 15 120.790 0.400 . 1 . . . A 87 GLU N . 18135 1 1112 . 1 1 88 88 LEU H H 1 8.393 0.020 . 1 . . . A 88 LEU H . 18135 1 1113 . 1 1 88 88 LEU HA H 1 3.728 0.020 . 1 . . . A 88 LEU HA . 18135 1 1114 . 1 1 88 88 LEU HB2 H 1 1.733 0.020 . 2 . . . A 88 LEU HB2 . 18135 1 1115 . 1 1 88 88 LEU HB3 H 1 1.026 0.020 . 2 . . . A 88 LEU HB3 . 18135 1 1116 . 1 1 88 88 LEU HG H 1 1.127 0.020 . 1 . . . A 88 LEU HG . 18135 1 1117 . 1 1 88 88 LEU HD11 H 1 0.276 0.020 . 2 . . . A 88 LEU HD11 . 18135 1 1118 . 1 1 88 88 LEU HD12 H 1 0.276 0.020 . 2 . . . A 88 LEU HD12 . 18135 1 1119 . 1 1 88 88 LEU HD13 H 1 0.276 0.020 . 2 . . . A 88 LEU HD13 . 18135 1 1120 . 1 1 88 88 LEU HD21 H 1 0.064 0.020 . 2 . . . A 88 LEU HD21 . 18135 1 1121 . 1 1 88 88 LEU HD22 H 1 0.064 0.020 . 2 . . . A 88 LEU HD22 . 18135 1 1122 . 1 1 88 88 LEU HD23 H 1 0.064 0.020 . 2 . . . A 88 LEU HD23 . 18135 1 1123 . 1 1 88 88 LEU C C 13 178.695 0.400 . 1 . . . A 88 LEU C . 18135 1 1124 . 1 1 88 88 LEU CA C 13 58.251 0.400 . 1 . . . A 88 LEU CA . 18135 1 1125 . 1 1 88 88 LEU CB C 13 41.587 0.400 . 1 . . . A 88 LEU CB . 18135 1 1126 . 1 1 88 88 LEU CG C 13 25.857 0.400 . 1 . . . A 88 LEU CG . 18135 1 1127 . 1 1 88 88 LEU CD1 C 13 21.417 0.400 . 1 . . . A 88 LEU CD1 . 18135 1 1128 . 1 1 88 88 LEU CD2 C 13 25.990 0.400 . 1 . . . A 88 LEU CD2 . 18135 1 1129 . 1 1 88 88 LEU N N 15 120.729 0.400 . 1 . . . A 88 LEU N . 18135 1 1130 . 1 1 89 89 TYR H H 1 8.637 0.020 . 1 . . . A 89 TYR H . 18135 1 1131 . 1 1 89 89 TYR HA H 1 3.931 0.020 . 1 . . . A 89 TYR HA . 18135 1 1132 . 1 1 89 89 TYR HB2 H 1 2.979 0.020 . 2 . . . A 89 TYR HB2 . 18135 1 1133 . 1 1 89 89 TYR HB3 H 1 2.979 0.020 . 2 . . . A 89 TYR HB3 . 18135 1 1134 . 1 1 89 89 TYR HD1 H 1 6.849 0.020 . 1 . . . A 89 TYR HD1 . 18135 1 1135 . 1 1 89 89 TYR HD2 H 1 6.849 0.020 . 1 . . . A 89 TYR HD2 . 18135 1 1136 . 1 1 89 89 TYR HE1 H 1 6.428 0.020 . 1 . . . A 89 TYR HE1 . 18135 1 1137 . 1 1 89 89 TYR HE2 H 1 6.428 0.020 . 1 . . . A 89 TYR HE2 . 18135 1 1138 . 1 1 89 89 TYR C C 13 178.438 0.400 . 1 . . . A 89 TYR C . 18135 1 1139 . 1 1 89 89 TYR CA C 13 61.407 0.400 . 1 . . . A 89 TYR CA . 18135 1 1140 . 1 1 89 89 TYR CB C 13 37.867 0.400 . 1 . . . A 89 TYR CB . 18135 1 1141 . 1 1 89 89 TYR CE1 C 13 117.958 0.400 . 1 . . . A 89 TYR CE1 . 18135 1 1142 . 1 1 89 89 TYR CE2 C 13 117.958 0.400 . 1 . . . A 89 TYR CE2 . 18135 1 1143 . 1 1 89 89 TYR N N 15 118.654 0.400 . 1 . . . A 89 TYR N . 18135 1 1144 . 1 1 90 90 GLN H H 1 7.796 0.020 . 1 . . . A 90 GLN H . 18135 1 1145 . 1 1 90 90 GLN HA H 1 3.986 0.020 . 1 . . . A 90 GLN HA . 18135 1 1146 . 1 1 90 90 GLN HB2 H 1 2.163 0.020 . 2 . . . A 90 GLN HB2 . 18135 1 1147 . 1 1 90 90 GLN HB3 H 1 2.163 0.020 . 2 . . . A 90 GLN HB3 . 18135 1 1148 . 1 1 90 90 GLN HG2 H 1 2.443 0.020 . 2 . . . A 90 GLN HG2 . 18135 1 1149 . 1 1 90 90 GLN HG3 H 1 2.363 0.020 . 2 . . . A 90 GLN HG3 . 18135 1 1150 . 1 1 90 90 GLN HE21 H 1 6.829 0.020 . 2 . . . A 90 GLN HE21 . 18135 1 1151 . 1 1 90 90 GLN HE22 H 1 7.474 0.020 . 2 . . . A 90 GLN HE22 . 18135 1 1152 . 1 1 90 90 GLN C C 13 178.411 0.400 . 1 . . . A 90 GLN C . 18135 1 1153 . 1 1 90 90 GLN CA C 13 58.782 0.400 . 1 . . . A 90 GLN CA . 18135 1 1154 . 1 1 90 90 GLN CB C 13 28.147 0.400 . 1 . . . A 90 GLN CB . 18135 1 1155 . 1 1 90 90 GLN CG C 13 33.973 0.400 . 1 . . . A 90 GLN CG . 18135 1 1156 . 1 1 90 90 GLN N N 15 118.263 0.400 . 1 . . . A 90 GLN N . 18135 1 1157 . 1 1 90 90 GLN NE2 N 15 113.152 0.400 . 1 . . . A 90 GLN NE2 . 18135 1 1158 . 1 1 91 91 GLN H H 1 7.727 0.020 . 1 . . . A 91 GLN H . 18135 1 1159 . 1 1 91 91 GLN HA H 1 4.082 0.020 . 1 . . . A 91 GLN HA . 18135 1 1160 . 1 1 91 91 GLN HB2 H 1 2.046 0.020 . 2 . . . A 91 GLN HB2 . 18135 1 1161 . 1 1 91 91 GLN HB3 H 1 2.046 0.020 . 2 . . . A 91 GLN HB3 . 18135 1 1162 . 1 1 91 91 GLN HG2 H 1 2.273 0.020 . 2 . . . A 91 GLN HG2 . 18135 1 1163 . 1 1 91 91 GLN HG3 H 1 2.273 0.020 . 2 . . . A 91 GLN HG3 . 18135 1 1164 . 1 1 91 91 GLN HE21 H 1 7.562 0.020 . 2 . . . A 91 GLN HE21 . 18135 1 1165 . 1 1 91 91 GLN HE22 H 1 6.821 0.020 . 2 . . . A 91 GLN HE22 . 18135 1 1166 . 1 1 91 91 GLN C C 13 178.705 0.400 . 1 . . . A 91 GLN C . 18135 1 1167 . 1 1 91 91 GLN CA C 13 58.820 0.400 . 1 . . . A 91 GLN CA . 18135 1 1168 . 1 1 91 91 GLN CB C 13 29.173 0.400 . 1 . . . A 91 GLN CB . 18135 1 1169 . 1 1 91 91 GLN CG C 13 35.298 0.400 . 1 . . . A 91 GLN CG . 18135 1 1170 . 1 1 91 91 GLN N N 15 117.959 0.400 . 1 . . . A 91 GLN N . 18135 1 1171 . 1 1 91 91 GLN NE2 N 15 112.203 0.400 . 1 . . . A 91 GLN NE2 . 18135 1 1172 . 1 1 92 92 LEU H H 1 8.465 0.020 . 1 . . . A 92 LEU H . 18135 1 1173 . 1 1 92 92 LEU HA H 1 3.734 0.020 . 1 . . . A 92 LEU HA . 18135 1 1174 . 1 1 92 92 LEU HB2 H 1 1.357 0.020 . 2 . . . A 92 LEU HB2 . 18135 1 1175 . 1 1 92 92 LEU HB3 H 1 1.744 0.020 . 2 . . . A 92 LEU HB3 . 18135 1 1176 . 1 1 92 92 LEU HG H 1 1.463 0.020 . 1 . . . A 92 LEU HG . 18135 1 1177 . 1 1 92 92 LEU HD11 H 1 0.299 0.020 . 2 . . . A 92 LEU HD11 . 18135 1 1178 . 1 1 92 92 LEU HD12 H 1 0.299 0.020 . 2 . . . A 92 LEU HD12 . 18135 1 1179 . 1 1 92 92 LEU HD13 H 1 0.299 0.020 . 2 . . . A 92 LEU HD13 . 18135 1 1180 . 1 1 92 92 LEU HD21 H 1 0.328 0.020 . 2 . . . A 92 LEU HD21 . 18135 1 1181 . 1 1 92 92 LEU HD22 H 1 0.328 0.020 . 2 . . . A 92 LEU HD22 . 18135 1 1182 . 1 1 92 92 LEU HD23 H 1 0.328 0.020 . 2 . . . A 92 LEU HD23 . 18135 1 1183 . 1 1 92 92 LEU C C 13 178.984 0.400 . 1 . . . A 92 LEU C . 18135 1 1184 . 1 1 92 92 LEU CA C 13 58.492 0.400 . 1 . . . A 92 LEU CA . 18135 1 1185 . 1 1 92 92 LEU CB C 13 41.379 0.400 . 1 . . . A 92 LEU CB . 18135 1 1186 . 1 1 92 92 LEU CG C 13 26.449 0.400 . 1 . . . A 92 LEU CG . 18135 1 1187 . 1 1 92 92 LEU CD1 C 13 23.668 0.400 . 1 . . . A 92 LEU CD1 . 18135 1 1188 . 1 1 92 92 LEU CD2 C 13 24.239 0.400 . 1 . . . A 92 LEU CD2 . 18135 1 1189 . 1 1 92 92 LEU N N 15 119.965 0.400 . 1 . . . A 92 LEU N . 18135 1 1190 . 1 1 93 93 ASN H H 1 8.091 0.020 . 1 . . . A 93 ASN H . 18135 1 1191 . 1 1 93 93 ASN HA H 1 4.401 0.020 . 1 . . . A 93 ASN HA . 18135 1 1192 . 1 1 93 93 ASN HB2 H 1 2.759 0.020 . 2 . . . A 93 ASN HB2 . 18135 1 1193 . 1 1 93 93 ASN HB3 H 1 2.759 0.020 . 2 . . . A 93 ASN HB3 . 18135 1 1194 . 1 1 93 93 ASN HD21 H 1 6.406 0.020 . 2 . . . A 93 ASN HD21 . 18135 1 1195 . 1 1 93 93 ASN HD22 H 1 7.336 0.020 . 2 . . . A 93 ASN HD22 . 18135 1 1196 . 1 1 93 93 ASN C C 13 178.309 0.400 . 1 . . . A 93 ASN C . 18135 1 1197 . 1 1 93 93 ASN CA C 13 56.403 0.400 . 1 . . . A 93 ASN CA . 18135 1 1198 . 1 1 93 93 ASN CB C 13 38.638 0.400 . 1 . . . A 93 ASN CB . 18135 1 1199 . 1 1 93 93 ASN N N 15 117.793 0.400 . 1 . . . A 93 ASN N . 18135 1 1200 . 1 1 93 93 ASN ND2 N 15 112.054 0.400 . 1 . . . A 93 ASN ND2 . 18135 1 1201 . 1 1 94 94 ASP H H 1 8.362 0.020 . 1 . . . A 94 ASP H . 18135 1 1202 . 1 1 94 94 ASP HA H 1 4.405 0.020 . 1 . . . A 94 ASP HA . 18135 1 1203 . 1 1 94 94 ASP HB2 H 1 2.913 0.020 . 2 . . . A 94 ASP HB2 . 18135 1 1204 . 1 1 94 94 ASP HB3 H 1 2.700 0.020 . 2 . . . A 94 ASP HB3 . 18135 1 1205 . 1 1 94 94 ASP C C 13 178.328 0.400 . 1 . . . A 94 ASP C . 18135 1 1206 . 1 1 94 94 ASP CA C 13 56.547 0.400 . 1 . . . A 94 ASP CA . 18135 1 1207 . 1 1 94 94 ASP CB C 13 38.649 0.400 . 1 . . . A 94 ASP CB . 18135 1 1208 . 1 1 94 94 ASP N N 15 121.133 0.400 . 1 . . . A 94 ASP N . 18135 1 1209 . 1 1 95 95 LEU H H 1 8.143 0.020 . 1 . . . A 95 LEU H . 18135 1 1210 . 1 1 95 95 LEU HA H 1 4.039 0.020 . 1 . . . A 95 LEU HA . 18135 1 1211 . 1 1 95 95 LEU HB2 H 1 1.976 0.020 . 2 . . . A 95 LEU HB2 . 18135 1 1212 . 1 1 95 95 LEU HB3 H 1 1.429 0.020 . 2 . . . A 95 LEU HB3 . 18135 1 1213 . 1 1 95 95 LEU HG H 1 1.709 0.020 . 1 . . . A 95 LEU HG . 18135 1 1214 . 1 1 95 95 LEU HD11 H 1 0.882 0.020 . 2 . . . A 95 LEU HD11 . 18135 1 1215 . 1 1 95 95 LEU HD12 H 1 0.882 0.020 . 2 . . . A 95 LEU HD12 . 18135 1 1216 . 1 1 95 95 LEU HD13 H 1 0.882 0.020 . 2 . . . A 95 LEU HD13 . 18135 1 1217 . 1 1 95 95 LEU HD21 H 1 0.912 0.020 . 2 . . . A 95 LEU HD21 . 18135 1 1218 . 1 1 95 95 LEU HD22 H 1 0.912 0.020 . 2 . . . A 95 LEU HD22 . 18135 1 1219 . 1 1 95 95 LEU HD23 H 1 0.912 0.020 . 2 . . . A 95 LEU HD23 . 18135 1 1220 . 1 1 95 95 LEU C C 13 178.826 0.400 . 1 . . . A 95 LEU C . 18135 1 1221 . 1 1 95 95 LEU CA C 13 57.027 0.400 . 1 . . . A 95 LEU CA . 18135 1 1222 . 1 1 95 95 LEU CB C 13 42.210 0.400 . 1 . . . A 95 LEU CB . 18135 1 1223 . 1 1 95 95 LEU CG C 13 26.928 0.400 . 1 . . . A 95 LEU CG . 18135 1 1224 . 1 1 95 95 LEU CD1 C 13 26.215 0.400 . 1 . . . A 95 LEU CD1 . 18135 1 1225 . 1 1 95 95 LEU CD2 C 13 23.999 0.400 . 1 . . . A 95 LEU CD2 . 18135 1 1226 . 1 1 95 95 LEU N N 15 119.160 0.400 . 1 . . . A 95 LEU N . 18135 1 1227 . 1 1 96 96 GLU H H 1 8.111 0.020 . 1 . . . A 96 GLU H . 18135 1 1228 . 1 1 96 96 GLU HA H 1 3.961 0.020 . 1 . . . A 96 GLU HA . 18135 1 1229 . 1 1 96 96 GLU HB2 H 1 2.061 0.020 . 2 . . . A 96 GLU HB2 . 18135 1 1230 . 1 1 96 96 GLU HB3 H 1 2.061 0.020 . 2 . . . A 96 GLU HB3 . 18135 1 1231 . 1 1 96 96 GLU HG2 H 1 2.437 0.020 . 2 . . . A 96 GLU HG2 . 18135 1 1232 . 1 1 96 96 GLU HG3 H 1 2.437 0.020 . 2 . . . A 96 GLU HG3 . 18135 1 1233 . 1 1 96 96 GLU C C 13 177.640 0.400 . 1 . . . A 96 GLU C . 18135 1 1234 . 1 1 96 96 GLU CA C 13 57.714 0.400 . 1 . . . A 96 GLU CA . 18135 1 1235 . 1 1 96 96 GLU CB C 13 28.138 0.400 . 1 . . . A 96 GLU CB . 18135 1 1236 . 1 1 96 96 GLU CG C 13 33.719 0.400 . 1 . . . A 96 GLU CG . 18135 1 1237 . 1 1 96 96 GLU N N 15 118.813 0.400 . 1 . . . A 96 GLU N . 18135 1 1238 . 1 1 97 97 ALA H H 1 7.798 0.020 . 1 . . . A 97 ALA H . 18135 1 1239 . 1 1 97 97 ALA HA H 1 4.122 0.020 . 1 . . . A 97 ALA HA . 18135 1 1240 . 1 1 97 97 ALA HB1 H 1 1.440 0.020 . 1 . . . A 97 ALA HB1 . 18135 1 1241 . 1 1 97 97 ALA HB2 H 1 1.440 0.020 . 1 . . . A 97 ALA HB2 . 18135 1 1242 . 1 1 97 97 ALA HB3 H 1 1.440 0.020 . 1 . . . A 97 ALA HB3 . 18135 1 1243 . 1 1 97 97 ALA C C 13 179.126 0.400 . 1 . . . A 97 ALA C . 18135 1 1244 . 1 1 97 97 ALA CA C 13 54.033 0.400 . 1 . . . A 97 ALA CA . 18135 1 1245 . 1 1 97 97 ALA CB C 13 17.980 0.400 . 1 . . . A 97 ALA CB . 18135 1 1246 . 1 1 97 97 ALA N N 15 120.549 0.400 . 1 . . . A 97 ALA N . 18135 1 1247 . 1 1 98 98 CYS H H 1 7.597 0.020 . 1 . . . A 98 CYS H . 18135 1 1248 . 1 1 98 98 CYS HA H 1 4.450 0.020 . 1 . . . A 98 CYS HA . 18135 1 1249 . 1 1 98 98 CYS HB2 H 1 3.193 0.020 . 2 . . . A 98 CYS HB2 . 18135 1 1250 . 1 1 98 98 CYS HB3 H 1 3.241 0.020 . 2 . . . A 98 CYS HB3 . 18135 1 1251 . 1 1 98 98 CYS C C 13 175.363 0.400 . 1 . . . A 98 CYS C . 18135 1 1252 . 1 1 98 98 CYS CA C 13 57.166 0.400 . 1 . . . A 98 CYS CA . 18135 1 1253 . 1 1 98 98 CYS CB C 13 41.879 0.400 . 1 . . . A 98 CYS CB . 18135 1 1254 . 1 1 98 98 CYS N N 15 115.510 0.400 . 1 . . . A 98 CYS N . 18135 1 1255 . 1 1 99 99 VAL H H 1 7.828 0.020 . 1 . . . A 99 VAL H . 18135 1 1256 . 1 1 99 99 VAL HA H 1 3.794 0.020 . 1 . . . A 99 VAL HA . 18135 1 1257 . 1 1 99 99 VAL HB H 1 2.081 0.020 . 1 . . . A 99 VAL HB . 18135 1 1258 . 1 1 99 99 VAL HG11 H 1 0.835 0.020 . 2 . . . A 99 VAL HG11 . 18135 1 1259 . 1 1 99 99 VAL HG12 H 1 0.835 0.020 . 2 . . . A 99 VAL HG12 . 18135 1 1260 . 1 1 99 99 VAL HG13 H 1 0.835 0.020 . 2 . . . A 99 VAL HG13 . 18135 1 1261 . 1 1 99 99 VAL HG21 H 1 0.814 0.020 . 2 . . . A 99 VAL HG21 . 18135 1 1262 . 1 1 99 99 VAL HG22 H 1 0.814 0.020 . 2 . . . A 99 VAL HG22 . 18135 1 1263 . 1 1 99 99 VAL HG23 H 1 0.814 0.020 . 2 . . . A 99 VAL HG23 . 18135 1 1264 . 1 1 99 99 VAL C C 13 177.357 0.400 . 1 . . . A 99 VAL C . 18135 1 1265 . 1 1 99 99 VAL CA C 13 64.583 0.400 . 1 . . . A 99 VAL CA . 18135 1 1266 . 1 1 99 99 VAL CB C 13 32.031 0.400 . 1 . . . A 99 VAL CB . 18135 1 1267 . 1 1 99 99 VAL CG1 C 13 21.092 0.400 . 1 . . . A 99 VAL CG1 . 18135 1 1268 . 1 1 99 99 VAL CG2 C 13 21.691 0.400 . 1 . . . A 99 VAL CG2 . 18135 1 1269 . 1 1 99 99 VAL N N 15 121.713 0.400 . 1 . . . A 99 VAL N . 18135 1 1270 . 1 1 100 100 ILE H H 1 8.067 0.020 . 1 . . . A 100 ILE H . 18135 1 1271 . 1 1 100 100 ILE HA H 1 3.924 0.020 . 1 . . . A 100 ILE HA . 18135 1 1272 . 1 1 100 100 ILE HB H 1 1.820 0.020 . 1 . . . A 100 ILE HB . 18135 1 1273 . 1 1 100 100 ILE HG12 H 1 1.155 0.020 . 2 . . . A 100 ILE HG12 . 18135 1 1274 . 1 1 100 100 ILE HG13 H 1 1.450 0.020 . 2 . . . A 100 ILE HG13 . 18135 1 1275 . 1 1 100 100 ILE HG21 H 1 0.849 0.020 . 1 . . . A 100 ILE HG21 . 18135 1 1276 . 1 1 100 100 ILE HG22 H 1 0.849 0.020 . 1 . . . A 100 ILE HG22 . 18135 1 1277 . 1 1 100 100 ILE HG23 H 1 0.849 0.020 . 1 . . . A 100 ILE HG23 . 18135 1 1278 . 1 1 100 100 ILE HD11 H 1 0.756 0.020 . 1 . . . A 100 ILE HD11 . 18135 1 1279 . 1 1 100 100 ILE HD12 H 1 0.756 0.020 . 1 . . . A 100 ILE HD12 . 18135 1 1280 . 1 1 100 100 ILE HD13 H 1 0.756 0.020 . 1 . . . A 100 ILE HD13 . 18135 1 1281 . 1 1 100 100 ILE C C 13 176.827 0.400 . 1 . . . A 100 ILE C . 18135 1 1282 . 1 1 100 100 ILE CA C 13 62.238 0.400 . 1 . . . A 100 ILE CA . 18135 1 1283 . 1 1 100 100 ILE CB C 13 38.278 0.400 . 1 . . . A 100 ILE CB . 18135 1 1284 . 1 1 100 100 ILE CG1 C 13 27.767 0.400 . 1 . . . A 100 ILE CG1 . 18135 1 1285 . 1 1 100 100 ILE CG2 C 13 17.526 0.400 . 1 . . . A 100 ILE CG2 . 18135 1 1286 . 1 1 100 100 ILE CD1 C 13 12.741 0.400 . 1 . . . A 100 ILE CD1 . 18135 1 1287 . 1 1 100 100 ILE N N 15 122.333 0.400 . 1 . . . A 100 ILE N . 18135 1 1288 . 1 1 101 101 GLN H H 1 8.062 0.020 . 1 . . . A 101 GLN H . 18135 1 1289 . 1 1 101 101 GLN HA H 1 4.226 0.020 . 1 . . . A 101 GLN HA . 18135 1 1290 . 1 1 101 101 GLN HB2 H 1 2.039 0.020 . 2 . . . A 101 GLN HB2 . 18135 1 1291 . 1 1 101 101 GLN HB3 H 1 2.120 0.020 . 2 . . . A 101 GLN HB3 . 18135 1 1292 . 1 1 101 101 GLN HG2 H 1 2.425 0.020 . 2 . . . A 101 GLN HG2 . 18135 1 1293 . 1 1 101 101 GLN HG3 H 1 2.425 0.020 . 2 . . . A 101 GLN HG3 . 18135 1 1294 . 1 1 101 101 GLN HE21 H 1 6.815 0.020 . 2 . . . A 101 GLN HE21 . 18135 1 1295 . 1 1 101 101 GLN HE22 H 1 7.439 0.020 . 2 . . . A 101 GLN HE22 . 18135 1 1296 . 1 1 101 101 GLN C C 13 176.438 0.400 . 1 . . . A 101 GLN C . 18135 1 1297 . 1 1 101 101 GLN CA C 13 56.320 0.400 . 1 . . . A 101 GLN CA . 18135 1 1298 . 1 1 101 101 GLN CB C 13 29.011 0.400 . 1 . . . A 101 GLN CB . 18135 1 1299 . 1 1 101 101 GLN CG C 13 33.164 0.400 . 1 . . . A 101 GLN CG . 18135 1 1300 . 1 1 101 101 GLN N N 15 121.864 0.400 . 1 . . . A 101 GLN N . 18135 1 1301 . 1 1 101 101 GLN NE2 N 15 111.740 0.400 . 1 . . . A 101 GLN NE2 . 18135 1 1302 . 1 1 102 102 GLY H H 1 8.087 0.020 . 1 . . . A 102 GLY H . 18135 1 1303 . 1 1 102 102 GLY HA2 H 1 3.826 0.020 . 2 . . . A 102 GLY HA2 . 18135 1 1304 . 1 1 102 102 GLY HA3 H 1 4.028 0.020 . 2 . . . A 102 GLY HA3 . 18135 1 1305 . 1 1 102 102 GLY C C 13 173.855 0.400 . 1 . . . A 102 GLY C . 18135 1 1306 . 1 1 102 102 GLY CA C 13 45.159 0.400 . 1 . . . A 102 GLY CA . 18135 1 1307 . 1 1 102 102 GLY N N 15 109.288 0.400 . 1 . . . A 102 GLY N . 18135 1 1308 . 1 1 103 103 VAL H H 1 8.079 0.020 . 1 . . . A 103 VAL H . 18135 1 1309 . 1 1 103 103 VAL HA H 1 4.074 0.020 . 1 . . . A 103 VAL HA . 18135 1 1310 . 1 1 103 103 VAL HB H 1 2.023 0.020 . 1 . . . A 103 VAL HB . 18135 1 1311 . 1 1 103 103 VAL HG11 H 1 0.894 0.020 . 2 . . . A 103 VAL HG11 . 18135 1 1312 . 1 1 103 103 VAL HG12 H 1 0.894 0.020 . 2 . . . A 103 VAL HG12 . 18135 1 1313 . 1 1 103 103 VAL HG13 H 1 0.894 0.020 . 2 . . . A 103 VAL HG13 . 18135 1 1314 . 1 1 103 103 VAL HG21 H 1 0.904 0.020 . 2 . . . A 103 VAL HG21 . 18135 1 1315 . 1 1 103 103 VAL HG22 H 1 0.904 0.020 . 2 . . . A 103 VAL HG22 . 18135 1 1316 . 1 1 103 103 VAL HG23 H 1 0.904 0.020 . 2 . . . A 103 VAL HG23 . 18135 1 1317 . 1 1 103 103 VAL C C 13 176.299 0.400 . 1 . . . A 103 VAL C . 18135 1 1318 . 1 1 103 103 VAL CA C 13 62.499 0.400 . 1 . . . A 103 VAL CA . 18135 1 1319 . 1 1 103 103 VAL CB C 13 32.854 0.400 . 1 . . . A 103 VAL CB . 18135 1 1320 . 1 1 103 103 VAL CG1 C 13 21.063 0.400 . 1 . . . A 103 VAL CG1 . 18135 1 1321 . 1 1 103 103 VAL CG2 C 13 20.945 0.400 . 1 . . . A 103 VAL CG2 . 18135 1 1322 . 1 1 103 103 VAL N N 15 118.932 0.400 . 1 . . . A 103 VAL N . 18135 1 1323 . 1 1 104 104 GLY H H 1 8.446 0.020 . 1 . . . A 104 GLY H . 18135 1 1324 . 1 1 104 104 GLY HA2 H 1 4.020 0.020 . 2 . . . A 104 GLY HA2 . 18135 1 1325 . 1 1 104 104 GLY HA3 H 1 3.797 0.020 . 2 . . . A 104 GLY HA3 . 18135 1 1326 . 1 1 104 104 GLY C C 13 173.694 0.400 . 1 . . . A 104 GLY C . 18135 1 1327 . 1 1 104 104 GLY CA C 13 45.402 0.400 . 1 . . . A 104 GLY CA . 18135 1 1328 . 1 1 104 104 GLY N N 15 112.028 0.400 . 1 . . . A 104 GLY N . 18135 1 1329 . 1 1 105 105 VAL H H 1 7.867 0.020 . 1 . . . A 105 VAL H . 18135 1 1330 . 1 1 105 105 VAL HA H 1 4.188 0.020 . 1 . . . A 105 VAL HA . 18135 1 1331 . 1 1 105 105 VAL HB H 1 2.078 0.020 . 1 . . . A 105 VAL HB . 18135 1 1332 . 1 1 105 105 VAL HG11 H 1 0.897 0.020 . 2 . . . A 105 VAL HG11 . 18135 1 1333 . 1 1 105 105 VAL HG12 H 1 0.897 0.020 . 2 . . . A 105 VAL HG12 . 18135 1 1334 . 1 1 105 105 VAL HG13 H 1 0.897 0.020 . 2 . . . A 105 VAL HG13 . 18135 1 1335 . 1 1 105 105 VAL HG21 H 1 0.872 0.020 . 2 . . . A 105 VAL HG21 . 18135 1 1336 . 1 1 105 105 VAL HG22 H 1 0.872 0.020 . 2 . . . A 105 VAL HG22 . 18135 1 1337 . 1 1 105 105 VAL HG23 H 1 0.872 0.020 . 2 . . . A 105 VAL HG23 . 18135 1 1338 . 1 1 105 105 VAL C C 13 175.963 0.400 . 1 . . . A 105 VAL C . 18135 1 1339 . 1 1 105 105 VAL CA C 13 62.136 0.400 . 1 . . . A 105 VAL CA . 18135 1 1340 . 1 1 105 105 VAL CB C 13 32.814 0.400 . 1 . . . A 105 VAL CB . 18135 1 1341 . 1 1 105 105 VAL CG1 C 13 21.002 0.400 . 1 . . . A 105 VAL CG1 . 18135 1 1342 . 1 1 105 105 VAL CG2 C 13 20.245 0.400 . 1 . . . A 105 VAL CG2 . 18135 1 1343 . 1 1 105 105 VAL N N 15 120.439 0.400 . 1 . . . A 105 VAL N . 18135 1 1344 . 1 1 106 106 THR H H 1 8.565 0.020 . 1 . . . A 106 THR H . 18135 1 1345 . 1 1 106 106 THR HA H 1 4.548 0.020 . 1 . . . A 106 THR HA . 18135 1 1346 . 1 1 106 106 THR HB H 1 4.230 0.020 . 1 . . . A 106 THR HB . 18135 1 1347 . 1 1 106 106 THR HG21 H 1 1.160 0.020 . 1 . . . A 106 THR HG21 . 18135 1 1348 . 1 1 106 106 THR HG22 H 1 1.160 0.020 . 1 . . . A 106 THR HG22 . 18135 1 1349 . 1 1 106 106 THR HG23 H 1 1.160 0.020 . 1 . . . A 106 THR HG23 . 18135 1 1350 . 1 1 106 106 THR C C 13 173.731 0.400 . 1 . . . A 106 THR C . 18135 1 1351 . 1 1 106 106 THR CA C 13 59.419 0.400 . 1 . . . A 106 THR CA . 18135 1 1352 . 1 1 106 106 THR CB C 13 79.536 0.400 . 1 . . . A 106 THR CB . 18135 1 1353 . 1 1 106 106 THR CG2 C 13 21.247 0.400 . 1 . . . A 106 THR CG2 . 18135 1 1354 . 1 1 106 106 THR N N 15 116.366 0.400 . 1 . . . A 106 THR N . 18135 1 1355 . 1 1 107 107 GLU H H 1 8.410 0.020 . 1 . . . A 107 GLU H . 18135 1 1356 . 1 1 107 107 GLU HA H 1 4.462 0.020 . 1 . . . A 107 GLU HA . 18135 1 1357 . 1 1 107 107 GLU HB2 H 1 1.950 0.020 . 2 . . . A 107 GLU HB2 . 18135 1 1358 . 1 1 107 107 GLU HB3 H 1 1.941 0.020 . 2 . . . A 107 GLU HB3 . 18135 1 1359 . 1 1 107 107 GLU HG2 H 1 2.376 0.020 . 2 . . . A 107 GLU HG2 . 18135 1 1360 . 1 1 107 107 GLU HG3 H 1 2.376 0.020 . 2 . . . A 107 GLU HG3 . 18135 1 1361 . 1 1 107 107 GLU C C 13 175.639 0.400 . 1 . . . A 107 GLU C . 18135 1 1362 . 1 1 107 107 GLU CA C 13 55.711 0.400 . 1 . . . A 107 GLU CA . 18135 1 1363 . 1 1 107 107 GLU CB C 13 30.499 0.400 . 1 . . . A 107 GLU CB . 18135 1 1364 . 1 1 107 107 GLU CG C 13 32.938 0.400 . 1 . . . A 107 GLU CG . 18135 1 1365 . 1 1 107 107 GLU N N 15 119.743 0.400 . 1 . . . A 107 GLU N . 18135 1 1366 . 1 1 108 108 THR H H 1 8.155 0.020 . 1 . . . A 108 THR H . 18135 1 1367 . 1 1 108 108 THR HA H 1 4.448 0.020 . 1 . . . A 108 THR HA . 18135 1 1368 . 1 1 108 108 THR HB H 1 4.508 0.020 . 1 . . . A 108 THR HB . 18135 1 1369 . 1 1 108 108 THR HG21 H 1 1.353 0.020 . 1 . . . A 108 THR HG21 . 18135 1 1370 . 1 1 108 108 THR HG22 H 1 1.353 0.020 . 1 . . . A 108 THR HG22 . 18135 1 1371 . 1 1 108 108 THR HG23 H 1 1.353 0.020 . 1 . . . A 108 THR HG23 . 18135 1 1372 . 1 1 108 108 THR CA C 13 60.348 0.400 . 1 . . . A 108 THR CA . 18135 1 1373 . 1 1 108 108 THR CB C 13 68.544 0.400 . 1 . . . A 108 THR CB . 18135 1 1374 . 1 1 108 108 THR CG2 C 13 22.147 0.400 . 1 . . . A 108 THR CG2 . 18135 1 1375 . 1 1 108 108 THR N N 15 114.402 0.400 . 1 . . . A 108 THR N . 18135 1 1376 . 1 1 109 109 PRO HA H 1 4.238 0.020 . 1 . . . A 109 PRO HA . 18135 1 1377 . 1 1 109 109 PRO HB2 H 1 2.297 0.020 . 2 . . . A 109 PRO HB2 . 18135 1 1378 . 1 1 109 109 PRO HB3 H 1 1.848 0.020 . 2 . . . A 109 PRO HB3 . 18135 1 1379 . 1 1 109 109 PRO HG2 H 1 1.956 0.020 . 2 . . . A 109 PRO HG2 . 18135 1 1380 . 1 1 109 109 PRO HG3 H 1 2.084 0.020 . 2 . . . A 109 PRO HG3 . 18135 1 1381 . 1 1 109 109 PRO HD2 H 1 3.852 0.020 . 2 . . . A 109 PRO HD2 . 18135 1 1382 . 1 1 109 109 PRO HD3 H 1 3.852 0.020 . 2 . . . A 109 PRO HD3 . 18135 1 1383 . 1 1 109 109 PRO C C 13 178.666 0.400 . 1 . . . A 109 PRO C . 18135 1 1384 . 1 1 109 109 PRO CA C 13 65.376 0.400 . 1 . . . A 109 PRO CA . 18135 1 1385 . 1 1 109 109 PRO CB C 13 31.848 0.400 . 1 . . . A 109 PRO CB . 18135 1 1386 . 1 1 109 109 PRO CG C 13 28.020 0.400 . 1 . . . A 109 PRO CG . 18135 1 1387 . 1 1 109 109 PRO CD C 13 50.600 0.400 . 1 . . . A 109 PRO CD . 18135 1 1388 . 1 1 110 110 LEU H H 1 8.016 0.020 . 1 . . . A 110 LEU H . 18135 1 1389 . 1 1 110 110 LEU HA H 1 4.116 0.020 . 1 . . . A 110 LEU HA . 18135 1 1390 . 1 1 110 110 LEU HB2 H 1 1.528 0.020 . 2 . . . A 110 LEU HB2 . 18135 1 1391 . 1 1 110 110 LEU HB3 H 1 1.528 0.020 . 2 . . . A 110 LEU HB3 . 18135 1 1392 . 1 1 110 110 LEU HD11 H 1 0.865 0.020 . 2 . . . A 110 LEU HD11 . 18135 1 1393 . 1 1 110 110 LEU HD12 H 1 0.865 0.020 . 2 . . . A 110 LEU HD12 . 18135 1 1394 . 1 1 110 110 LEU HD13 H 1 0.865 0.020 . 2 . . . A 110 LEU HD13 . 18135 1 1395 . 1 1 110 110 LEU HD21 H 1 0.819 0.020 . 2 . . . A 110 LEU HD21 . 18135 1 1396 . 1 1 110 110 LEU HD22 H 1 0.819 0.020 . 2 . . . A 110 LEU HD22 . 18135 1 1397 . 1 1 110 110 LEU HD23 H 1 0.819 0.020 . 2 . . . A 110 LEU HD23 . 18135 1 1398 . 1 1 110 110 LEU C C 13 178.293 0.400 . 1 . . . A 110 LEU C . 18135 1 1399 . 1 1 110 110 LEU CA C 13 56.686 0.400 . 1 . . . A 110 LEU CA . 18135 1 1400 . 1 1 110 110 LEU CB C 13 41.969 0.400 . 1 . . . A 110 LEU CB . 18135 1 1401 . 1 1 110 110 LEU CD1 C 13 24.182 0.400 . 1 . . . A 110 LEU CD1 . 18135 1 1402 . 1 1 110 110 LEU CD2 C 13 24.212 0.400 . 1 . . . A 110 LEU CD2 . 18135 1 1403 . 1 1 110 110 LEU N N 15 118.566 0.400 . 1 . . . A 110 LEU N . 18135 1 1404 . 1 1 111 111 MET H H 1 7.705 0.020 . 1 . . . A 111 MET H . 18135 1 1405 . 1 1 111 111 MET HA H 1 4.210 0.020 . 1 . . . A 111 MET HA . 18135 1 1406 . 1 1 111 111 MET HB2 H 1 2.517 0.020 . 2 . . . A 111 MET HB2 . 18135 1 1407 . 1 1 111 111 MET HB3 H 1 2.517 0.020 . 2 . . . A 111 MET HB3 . 18135 1 1408 . 1 1 111 111 MET HG2 H 1 2.539 0.020 . 2 . . . A 111 MET HG2 . 18135 1 1409 . 1 1 111 111 MET HG3 H 1 2.539 0.020 . 2 . . . A 111 MET HG3 . 18135 1 1410 . 1 1 111 111 MET HE1 H 1 2.071 0.020 . 1 . . . A 111 MET HE1 . 18135 1 1411 . 1 1 111 111 MET HE2 H 1 2.071 0.020 . 1 . . . A 111 MET HE2 . 18135 1 1412 . 1 1 111 111 MET HE3 H 1 2.071 0.020 . 1 . . . A 111 MET HE3 . 18135 1 1413 . 1 1 111 111 MET C C 13 178.720 0.400 . 1 . . . A 111 MET C . 18135 1 1414 . 1 1 111 111 MET CA C 13 58.144 0.400 . 1 . . . A 111 MET CA . 18135 1 1415 . 1 1 111 111 MET CB C 13 32.374 0.400 . 1 . . . A 111 MET CB . 18135 1 1416 . 1 1 111 111 MET CG C 13 32.748 0.400 . 1 . . . A 111 MET CG . 18135 1 1417 . 1 1 111 111 MET CE C 13 17.263 0.400 . 1 . . . A 111 MET CE . 18135 1 1418 . 1 1 111 111 MET N N 15 118.982 0.400 . 1 . . . A 111 MET N . 18135 1 1419 . 1 1 112 112 LYS H H 1 8.257 0.020 . 1 . . . A 112 LYS H . 18135 1 1420 . 1 1 112 112 LYS HA H 1 4.108 0.020 . 1 . . . A 112 LYS HA . 18135 1 1421 . 1 1 112 112 LYS HB2 H 1 1.718 0.020 . 2 . . . A 112 LYS HB2 . 18135 1 1422 . 1 1 112 112 LYS HB3 H 1 1.867 0.020 . 2 . . . A 112 LYS HB3 . 18135 1 1423 . 1 1 112 112 LYS HD2 H 1 1.491 0.020 . 2 . . . A 112 LYS HD2 . 18135 1 1424 . 1 1 112 112 LYS HD3 H 1 1.491 0.020 . 2 . . . A 112 LYS HD3 . 18135 1 1425 . 1 1 112 112 LYS HE2 H 1 2.842 0.020 . 2 . . . A 112 LYS HE2 . 18135 1 1426 . 1 1 112 112 LYS HE3 H 1 2.842 0.020 . 2 . . . A 112 LYS HE3 . 18135 1 1427 . 1 1 112 112 LYS C C 13 178.000 0.400 . 1 . . . A 112 LYS C . 18135 1 1428 . 1 1 112 112 LYS CA C 13 56.305 0.400 . 1 . . . A 112 LYS CA . 18135 1 1429 . 1 1 112 112 LYS CB C 13 32.367 0.400 . 1 . . . A 112 LYS CB . 18135 1 1430 . 1 1 112 112 LYS CD C 13 29.614 0.400 . 1 . . . A 112 LYS CD . 18135 1 1431 . 1 1 112 112 LYS CE C 13 41.985 0.400 . 1 . . . A 112 LYS CE . 18135 1 1432 . 1 1 112 112 LYS N N 15 121.377 0.400 . 1 . . . A 112 LYS N . 18135 1 1433 . 1 1 113 113 GLU H H 1 8.270 0.020 . 1 . . . A 113 GLU H . 18135 1 1434 . 1 1 113 113 GLU HA H 1 4.066 0.020 . 1 . . . A 113 GLU HA . 18135 1 1435 . 1 1 113 113 GLU HB2 H 1 2.081 0.020 . 2 . . . A 113 GLU HB2 . 18135 1 1436 . 1 1 113 113 GLU HB3 H 1 2.081 0.020 . 2 . . . A 113 GLU HB3 . 18135 1 1437 . 1 1 113 113 GLU HG2 H 1 2.384 0.020 . 2 . . . A 113 GLU HG2 . 18135 1 1438 . 1 1 113 113 GLU HG3 H 1 2.384 0.020 . 2 . . . A 113 GLU HG3 . 18135 1 1439 . 1 1 113 113 GLU C C 13 178.289 0.400 . 1 . . . A 113 GLU C . 18135 1 1440 . 1 1 113 113 GLU CA C 13 58.253 0.400 . 1 . . . A 113 GLU CA . 18135 1 1441 . 1 1 113 113 GLU CB C 13 28.138 0.400 . 1 . . . A 113 GLU CB . 18135 1 1442 . 1 1 113 113 GLU CG C 13 33.901 0.400 . 1 . . . A 113 GLU CG . 18135 1 1443 . 1 1 113 113 GLU N N 15 119.104 0.400 . 1 . . . A 113 GLU N . 18135 1 1444 . 1 1 114 114 ASP H H 1 8.618 0.020 . 1 . . . A 114 ASP H . 18135 1 1445 . 1 1 114 114 ASP HA H 1 4.288 0.020 . 1 . . . A 114 ASP HA . 18135 1 1446 . 1 1 114 114 ASP HB2 H 1 2.707 0.020 . 2 . . . A 114 ASP HB2 . 18135 1 1447 . 1 1 114 114 ASP HB3 H 1 2.659 0.020 . 2 . . . A 114 ASP HB3 . 18135 1 1448 . 1 1 114 114 ASP C C 13 178.365 0.400 . 1 . . . A 114 ASP C . 18135 1 1449 . 1 1 114 114 ASP CA C 13 56.108 0.400 . 1 . . . A 114 ASP CA . 18135 1 1450 . 1 1 114 114 ASP CB C 13 38.235 0.400 . 1 . . . A 114 ASP CB . 18135 1 1451 . 1 1 114 114 ASP N N 15 119.224 0.400 . 1 . . . A 114 ASP N . 18135 1 1452 . 1 1 115 115 SER H H 1 8.181 0.020 . 1 . . . A 115 SER H . 18135 1 1453 . 1 1 115 115 SER HA H 1 4.200 0.020 . 1 . . . A 115 SER HA . 18135 1 1454 . 1 1 115 115 SER HB2 H 1 3.787 0.020 . 2 . . . A 115 SER HB2 . 18135 1 1455 . 1 1 115 115 SER HB3 H 1 3.787 0.020 . 2 . . . A 115 SER HB3 . 18135 1 1456 . 1 1 115 115 SER C C 13 175.986 0.400 . 1 . . . A 115 SER C . 18135 1 1457 . 1 1 115 115 SER CA C 13 61.588 0.400 . 1 . . . A 115 SER CA . 18135 1 1458 . 1 1 115 115 SER CB C 13 62.653 0.400 . 1 . . . A 115 SER CB . 18135 1 1459 . 1 1 115 115 SER N N 15 118.195 0.400 . 1 . . . A 115 SER N . 18135 1 1460 . 1 1 116 116 ILE H H 1 7.773 0.020 . 1 . . . A 116 ILE H . 18135 1 1461 . 1 1 116 116 ILE HA H 1 3.626 0.020 . 1 . . . A 116 ILE HA . 18135 1 1462 . 1 1 116 116 ILE HB H 1 2.014 0.020 . 1 . . . A 116 ILE HB . 18135 1 1463 . 1 1 116 116 ILE HG12 H 1 1.596 0.020 . 2 . . . A 116 ILE HG12 . 18135 1 1464 . 1 1 116 116 ILE HG13 H 1 1.181 0.020 . 2 . . . A 116 ILE HG13 . 18135 1 1465 . 1 1 116 116 ILE HG21 H 1 0.763 0.020 . 1 . . . A 116 ILE HG21 . 18135 1 1466 . 1 1 116 116 ILE HG22 H 1 0.763 0.020 . 1 . . . A 116 ILE HG22 . 18135 1 1467 . 1 1 116 116 ILE HG23 H 1 0.763 0.020 . 1 . . . A 116 ILE HG23 . 18135 1 1468 . 1 1 116 116 ILE HD11 H 1 0.722 0.020 . 1 . . . A 116 ILE HD11 . 18135 1 1469 . 1 1 116 116 ILE HD12 H 1 0.722 0.020 . 1 . . . A 116 ILE HD12 . 18135 1 1470 . 1 1 116 116 ILE HD13 H 1 0.722 0.020 . 1 . . . A 116 ILE HD13 . 18135 1 1471 . 1 1 116 116 ILE C C 13 178.367 0.400 . 1 . . . A 116 ILE C . 18135 1 1472 . 1 1 116 116 ILE CA C 13 64.817 0.400 . 1 . . . A 116 ILE CA . 18135 1 1473 . 1 1 116 116 ILE CB C 13 37.418 0.400 . 1 . . . A 116 ILE CB . 18135 1 1474 . 1 1 116 116 ILE CG1 C 13 29.124 0.400 . 1 . . . A 116 ILE CG1 . 18135 1 1475 . 1 1 116 116 ILE CG2 C 13 16.810 0.400 . 1 . . . A 116 ILE CG2 . 18135 1 1476 . 1 1 116 116 ILE CD1 C 13 12.482 0.400 . 1 . . . A 116 ILE CD1 . 18135 1 1477 . 1 1 116 116 ILE N N 15 123.340 0.400 . 1 . . . A 116 ILE N . 18135 1 1478 . 1 1 117 117 LEU H H 1 8.406 0.020 . 1 . . . A 117 LEU H . 18135 1 1479 . 1 1 117 117 LEU HA H 1 3.905 0.020 . 1 . . . A 117 LEU HA . 18135 1 1480 . 1 1 117 117 LEU HB2 H 1 1.648 0.020 . 2 . . . A 117 LEU HB2 . 18135 1 1481 . 1 1 117 117 LEU HB3 H 1 1.841 0.020 . 2 . . . A 117 LEU HB3 . 18135 1 1482 . 1 1 117 117 LEU HG H 1 1.695 0.020 . 1 . . . A 117 LEU HG . 18135 1 1483 . 1 1 117 117 LEU HD11 H 1 0.917 0.020 . 2 . . . A 117 LEU HD11 . 18135 1 1484 . 1 1 117 117 LEU HD12 H 1 0.917 0.020 . 2 . . . A 117 LEU HD12 . 18135 1 1485 . 1 1 117 117 LEU HD13 H 1 0.917 0.020 . 2 . . . A 117 LEU HD13 . 18135 1 1486 . 1 1 117 117 LEU HD21 H 1 0.845 0.020 . 2 . . . A 117 LEU HD21 . 18135 1 1487 . 1 1 117 117 LEU HD22 H 1 0.845 0.020 . 2 . . . A 117 LEU HD22 . 18135 1 1488 . 1 1 117 117 LEU HD23 H 1 0.845 0.020 . 2 . . . A 117 LEU HD23 . 18135 1 1489 . 1 1 117 117 LEU C C 13 178.746 0.400 . 1 . . . A 117 LEU C . 18135 1 1490 . 1 1 117 117 LEU CA C 13 58.143 0.400 . 1 . . . A 117 LEU CA . 18135 1 1491 . 1 1 117 117 LEU CB C 13 41.586 0.400 . 1 . . . A 117 LEU CB . 18135 1 1492 . 1 1 117 117 LEU CG C 13 27.053 0.400 . 1 . . . A 117 LEU CG . 18135 1 1493 . 1 1 117 117 LEU CD1 C 13 24.929 0.400 . 1 . . . A 117 LEU CD1 . 18135 1 1494 . 1 1 117 117 LEU CD2 C 13 24.021 0.400 . 1 . . . A 117 LEU CD2 . 18135 1 1495 . 1 1 117 117 LEU N N 15 120.968 0.400 . 1 . . . A 117 LEU N . 18135 1 1496 . 1 1 118 118 ALA H H 1 7.894 0.020 . 1 . . . A 118 ALA H . 18135 1 1497 . 1 1 118 118 ALA HA H 1 4.112 0.020 . 1 . . . A 118 ALA HA . 18135 1 1498 . 1 1 118 118 ALA HB1 H 1 1.473 0.020 . 1 . . . A 118 ALA HB1 . 18135 1 1499 . 1 1 118 118 ALA HB2 H 1 1.473 0.020 . 1 . . . A 118 ALA HB2 . 18135 1 1500 . 1 1 118 118 ALA HB3 H 1 1.473 0.020 . 1 . . . A 118 ALA HB3 . 18135 1 1501 . 1 1 118 118 ALA C C 13 181.633 0.400 . 1 . . . A 118 ALA C . 18135 1 1502 . 1 1 118 118 ALA CA C 13 55.313 0.400 . 1 . . . A 118 ALA CA . 18135 1 1503 . 1 1 118 118 ALA CB C 13 18.110 0.400 . 1 . . . A 118 ALA CB . 18135 1 1504 . 1 1 118 118 ALA N N 15 120.150 0.400 . 1 . . . A 118 ALA N . 18135 1 1505 . 1 1 119 119 VAL H H 1 7.572 0.020 . 1 . . . A 119 VAL H . 18135 1 1506 . 1 1 119 119 VAL HA H 1 3.755 0.020 . 1 . . . A 119 VAL HA . 18135 1 1507 . 1 1 119 119 VAL HB H 1 2.474 0.020 . 1 . . . A 119 VAL HB . 18135 1 1508 . 1 1 119 119 VAL HG11 H 1 1.315 0.020 . 2 . . . A 119 VAL HG11 . 18135 1 1509 . 1 1 119 119 VAL HG12 H 1 1.315 0.020 . 2 . . . A 119 VAL HG12 . 18135 1 1510 . 1 1 119 119 VAL HG13 H 1 1.315 0.020 . 2 . . . A 119 VAL HG13 . 18135 1 1511 . 1 1 119 119 VAL HG21 H 1 1.198 0.020 . 2 . . . A 119 VAL HG21 . 18135 1 1512 . 1 1 119 119 VAL HG22 H 1 1.198 0.020 . 2 . . . A 119 VAL HG22 . 18135 1 1513 . 1 1 119 119 VAL HG23 H 1 1.198 0.020 . 2 . . . A 119 VAL HG23 . 18135 1 1514 . 1 1 119 119 VAL C C 13 177.896 0.400 . 1 . . . A 119 VAL C . 18135 1 1515 . 1 1 119 119 VAL CA C 13 67.181 0.400 . 1 . . . A 119 VAL CA . 18135 1 1516 . 1 1 119 119 VAL CB C 13 31.894 0.400 . 1 . . . A 119 VAL CB . 18135 1 1517 . 1 1 119 119 VAL CG1 C 13 22.271 0.400 . 1 . . . A 119 VAL CG1 . 18135 1 1518 . 1 1 119 119 VAL CG2 C 13 23.959 0.400 . 1 . . . A 119 VAL CG2 . 18135 1 1519 . 1 1 119 119 VAL N N 15 118.873 0.400 . 1 . . . A 119 VAL N . 18135 1 1520 . 1 1 120 120 ARG H H 1 8.629 0.020 . 1 . . . A 120 ARG H . 18135 1 1521 . 1 1 120 120 ARG HA H 1 4.027 0.020 . 1 . . . A 120 ARG HA . 18135 1 1522 . 1 1 120 120 ARG HB2 H 1 2.076 0.020 . 2 . . . A 120 ARG HB2 . 18135 1 1523 . 1 1 120 120 ARG HB3 H 1 2.076 0.020 . 2 . . . A 120 ARG HB3 . 18135 1 1524 . 1 1 120 120 ARG HG2 H 1 1.950 0.020 . 2 . . . A 120 ARG HG2 . 18135 1 1525 . 1 1 120 120 ARG HG3 H 1 1.950 0.020 . 2 . . . A 120 ARG HG3 . 18135 1 1526 . 1 1 120 120 ARG C C 13 179.848 0.400 . 1 . . . A 120 ARG C . 18135 1 1527 . 1 1 120 120 ARG CA C 13 61.267 0.400 . 1 . . . A 120 ARG CA . 18135 1 1528 . 1 1 120 120 ARG CB C 13 29.695 0.400 . 1 . . . A 120 ARG CB . 18135 1 1529 . 1 1 120 120 ARG N N 15 121.436 0.400 . 1 . . . A 120 ARG N . 18135 1 1530 . 1 1 121 121 LYS H H 1 9.015 0.020 . 1 . . . A 121 LYS H . 18135 1 1531 . 1 1 121 121 LYS HA H 1 4.074 0.020 . 1 . . . A 121 LYS HA . 18135 1 1532 . 1 1 121 121 LYS HB2 H 1 1.901 0.020 . 2 . . . A 121 LYS HB2 . 18135 1 1533 . 1 1 121 121 LYS HB3 H 1 1.940 0.020 . 2 . . . A 121 LYS HB3 . 18135 1 1534 . 1 1 121 121 LYS C C 13 178.331 0.400 . 1 . . . A 121 LYS C . 18135 1 1535 . 1 1 121 121 LYS CA C 13 60.440 0.400 . 1 . . . A 121 LYS CA . 18135 1 1536 . 1 1 121 121 LYS CB C 13 32.107 0.400 . 1 . . . A 121 LYS CB . 18135 1 1537 . 1 1 121 121 LYS N N 15 119.589 0.400 . 1 . . . A 121 LYS N . 18135 1 1538 . 1 1 122 122 TYR H H 1 7.473 0.020 . 1 . . . A 122 TYR H . 18135 1 1539 . 1 1 122 122 TYR HA H 1 4.332 0.020 . 1 . . . A 122 TYR HA . 18135 1 1540 . 1 1 122 122 TYR HB2 H 1 3.122 0.020 . 2 . . . A 122 TYR HB2 . 18135 1 1541 . 1 1 122 122 TYR HB3 H 1 3.583 0.020 . 2 . . . A 122 TYR HB3 . 18135 1 1542 . 1 1 122 122 TYR HD1 H 1 6.896 0.020 . 1 . . . A 122 TYR HD1 . 18135 1 1543 . 1 1 122 122 TYR HD2 H 1 6.896 0.020 . 1 . . . A 122 TYR HD2 . 18135 1 1544 . 1 1 122 122 TYR C C 13 176.527 0.400 . 1 . . . A 122 TYR C . 18135 1 1545 . 1 1 122 122 TYR CA C 13 60.404 0.400 . 1 . . . A 122 TYR CA . 18135 1 1546 . 1 1 122 122 TYR CB C 13 37.725 0.400 . 1 . . . A 122 TYR CB . 18135 1 1547 . 1 1 122 122 TYR N N 15 121.546 0.400 . 1 . . . A 122 TYR N . 18135 1 1548 . 1 1 123 123 PHE H H 1 7.932 0.020 . 1 . . . A 123 PHE H . 18135 1 1549 . 1 1 123 123 PHE HA H 1 3.740 0.020 . 1 . . . A 123 PHE HA . 18135 1 1550 . 1 1 123 123 PHE HB2 H 1 3.199 0.020 . 2 . . . A 123 PHE HB2 . 18135 1 1551 . 1 1 123 123 PHE HB3 H 1 2.919 0.020 . 2 . . . A 123 PHE HB3 . 18135 1 1552 . 1 1 123 123 PHE HD1 H 1 7.512 0.020 . 1 . . . A 123 PHE HD1 . 18135 1 1553 . 1 1 123 123 PHE HD2 H 1 7.512 0.020 . 1 . . . A 123 PHE HD2 . 18135 1 1554 . 1 1 123 123 PHE HE1 H 1 7.548 0.020 . 1 . . . A 123 PHE HE1 . 18135 1 1555 . 1 1 123 123 PHE HE2 H 1 7.548 0.020 . 1 . . . A 123 PHE HE2 . 18135 1 1556 . 1 1 123 123 PHE C C 13 179.005 0.400 . 1 . . . A 123 PHE C . 18135 1 1557 . 1 1 123 123 PHE CA C 13 63.528 0.400 . 1 . . . A 123 PHE CA . 18135 1 1558 . 1 1 123 123 PHE CB C 13 39.331 0.400 . 1 . . . A 123 PHE CB . 18135 1 1559 . 1 1 123 123 PHE N N 15 116.026 0.400 . 1 . . . A 123 PHE N . 18135 1 1560 . 1 1 124 124 GLN H H 1 8.470 0.020 . 1 . . . A 124 GLN H . 18135 1 1561 . 1 1 124 124 GLN HA H 1 4.179 0.020 . 1 . . . A 124 GLN HA . 18135 1 1562 . 1 1 124 124 GLN HB2 H 1 2.203 0.020 . 2 . . . A 124 GLN HB2 . 18135 1 1563 . 1 1 124 124 GLN HB3 H 1 2.378 0.020 . 2 . . . A 124 GLN HB3 . 18135 1 1564 . 1 1 124 124 GLN HG2 H 1 2.398 0.020 . 2 . . . A 124 GLN HG2 . 18135 1 1565 . 1 1 124 124 GLN HG3 H 1 2.570 0.020 . 2 . . . A 124 GLN HG3 . 18135 1 1566 . 1 1 124 124 GLN HE21 H 1 6.804 0.020 . 2 . . . A 124 GLN HE21 . 18135 1 1567 . 1 1 124 124 GLN HE22 H 1 7.480 0.020 . 2 . . . A 124 GLN HE22 . 18135 1 1568 . 1 1 124 124 GLN C C 13 178.772 0.400 . 1 . . . A 124 GLN C . 18135 1 1569 . 1 1 124 124 GLN CA C 13 59.316 0.400 . 1 . . . A 124 GLN CA . 18135 1 1570 . 1 1 124 124 GLN CB C 13 27.631 0.400 . 1 . . . A 124 GLN CB . 18135 1 1571 . 1 1 124 124 GLN CG C 13 33.875 0.400 . 1 . . . A 124 GLN CG . 18135 1 1572 . 1 1 124 124 GLN N N 15 123.043 0.400 . 1 . . . A 124 GLN N . 18135 1 1573 . 1 1 124 124 GLN NE2 N 15 110.404 0.400 . 1 . . . A 124 GLN NE2 . 18135 1 1574 . 1 1 125 125 ARG H H 1 8.137 0.020 . 1 . . . A 125 ARG H . 18135 1 1575 . 1 1 125 125 ARG HA H 1 4.078 0.020 . 1 . . . A 125 ARG HA . 18135 1 1576 . 1 1 125 125 ARG HB2 H 1 2.565 0.020 . 2 . . . A 125 ARG HB2 . 18135 1 1577 . 1 1 125 125 ARG HB3 H 1 2.565 0.020 . 2 . . . A 125 ARG HB3 . 18135 1 1578 . 1 1 125 125 ARG C C 13 180.340 0.400 . 1 . . . A 125 ARG C . 18135 1 1579 . 1 1 125 125 ARG CA C 13 61.297 0.400 . 1 . . . A 125 ARG CA . 18135 1 1580 . 1 1 125 125 ARG CB C 13 30.325 0.400 . 1 . . . A 125 ARG CB . 18135 1 1581 . 1 1 125 125 ARG CG C 13 30.874 0.400 . 1 . . . A 125 ARG CG . 18135 1 1582 . 1 1 125 125 ARG N N 15 120.342 0.400 . 1 . . . A 125 ARG N . 18135 1 1583 . 1 1 126 126 ILE H H 1 7.526 0.020 . 1 . . . A 126 ILE H . 18135 1 1584 . 1 1 126 126 ILE HA H 1 3.351 0.020 . 1 . . . A 126 ILE HA . 18135 1 1585 . 1 1 126 126 ILE HB H 1 1.653 0.020 . 1 . . . A 126 ILE HB . 18135 1 1586 . 1 1 126 126 ILE HG12 H 1 -0.586 0.020 . 2 . . . A 126 ILE HG12 . 18135 1 1587 . 1 1 126 126 ILE HG13 H 1 0.694 0.020 . 2 . . . A 126 ILE HG13 . 18135 1 1588 . 1 1 126 126 ILE HG21 H 1 0.497 0.020 . 1 . . . A 126 ILE HG21 . 18135 1 1589 . 1 1 126 126 ILE HG22 H 1 0.497 0.020 . 1 . . . A 126 ILE HG22 . 18135 1 1590 . 1 1 126 126 ILE HG23 H 1 0.497 0.020 . 1 . . . A 126 ILE HG23 . 18135 1 1591 . 1 1 126 126 ILE HD11 H 1 -0.501 0.020 . 1 . . . A 126 ILE HD11 . 18135 1 1592 . 1 1 126 126 ILE HD12 H 1 -0.501 0.020 . 1 . . . A 126 ILE HD12 . 18135 1 1593 . 1 1 126 126 ILE HD13 H 1 -0.501 0.020 . 1 . . . A 126 ILE HD13 . 18135 1 1594 . 1 1 126 126 ILE C C 13 176.857 0.400 . 1 . . . A 126 ILE C . 18135 1 1595 . 1 1 126 126 ILE CA C 13 65.832 0.400 . 1 . . . A 126 ILE CA . 18135 1 1596 . 1 1 126 126 ILE CB C 13 37.284 0.400 . 1 . . . A 126 ILE CB . 18135 1 1597 . 1 1 126 126 ILE CG1 C 13 28.527 0.400 . 1 . . . A 126 ILE CG1 . 18135 1 1598 . 1 1 126 126 ILE CG2 C 13 18.726 0.400 . 1 . . . A 126 ILE CG2 . 18135 1 1599 . 1 1 126 126 ILE CD1 C 13 12.098 0.400 . 1 . . . A 126 ILE CD1 . 18135 1 1600 . 1 1 126 126 ILE N N 15 121.876 0.400 . 1 . . . A 126 ILE N . 18135 1 1601 . 1 1 127 127 THR H H 1 8.288 0.020 . 1 . . . A 127 THR H . 18135 1 1602 . 1 1 127 127 THR HA H 1 3.633 0.020 . 1 . . . A 127 THR HA . 18135 1 1603 . 1 1 127 127 THR HB H 1 4.198 0.020 . 1 . . . A 127 THR HB . 18135 1 1604 . 1 1 127 127 THR HG21 H 1 1.241 0.020 . 1 . . . A 127 THR HG21 . 18135 1 1605 . 1 1 127 127 THR HG22 H 1 1.241 0.020 . 1 . . . A 127 THR HG22 . 18135 1 1606 . 1 1 127 127 THR HG23 H 1 1.241 0.020 . 1 . . . A 127 THR HG23 . 18135 1 1607 . 1 1 127 127 THR C C 13 176.645 0.400 . 1 . . . A 127 THR C . 18135 1 1608 . 1 1 127 127 THR CA C 13 67.294 0.400 . 1 . . . A 127 THR CA . 18135 1 1609 . 1 1 127 127 THR CB C 13 68.871 0.400 . 1 . . . A 127 THR CB . 18135 1 1610 . 1 1 127 127 THR CG2 C 13 21.976 0.400 . 1 . . . A 127 THR CG2 . 18135 1 1611 . 1 1 127 127 THR N N 15 115.613 0.400 . 1 . . . A 127 THR N . 18135 1 1612 . 1 1 128 128 LEU H H 1 8.263 0.020 . 1 . . . A 128 LEU H . 18135 1 1613 . 1 1 128 128 LEU HA H 1 3.956 0.020 . 1 . . . A 128 LEU HA . 18135 1 1614 . 1 1 128 128 LEU HB2 H 1 1.712 0.020 . 2 . . . A 128 LEU HB2 . 18135 1 1615 . 1 1 128 128 LEU HB3 H 1 1.473 0.020 . 2 . . . A 128 LEU HB3 . 18135 1 1616 . 1 1 128 128 LEU HG H 1 1.674 0.020 . 1 . . . A 128 LEU HG . 18135 1 1617 . 1 1 128 128 LEU HD11 H 1 0.895 0.020 . 2 . . . A 128 LEU HD11 . 18135 1 1618 . 1 1 128 128 LEU HD12 H 1 0.895 0.020 . 2 . . . A 128 LEU HD12 . 18135 1 1619 . 1 1 128 128 LEU HD13 H 1 0.895 0.020 . 2 . . . A 128 LEU HD13 . 18135 1 1620 . 1 1 128 128 LEU HD21 H 1 0.865 0.020 . 2 . . . A 128 LEU HD21 . 18135 1 1621 . 1 1 128 128 LEU HD22 H 1 0.865 0.020 . 2 . . . A 128 LEU HD22 . 18135 1 1622 . 1 1 128 128 LEU HD23 H 1 0.865 0.020 . 2 . . . A 128 LEU HD23 . 18135 1 1623 . 1 1 128 128 LEU C C 13 178.331 0.400 . 1 . . . A 128 LEU C . 18135 1 1624 . 1 1 128 128 LEU CA C 13 58.088 0.400 . 1 . . . A 128 LEU CA . 18135 1 1625 . 1 1 128 128 LEU CB C 13 41.574 0.400 . 1 . . . A 128 LEU CB . 18135 1 1626 . 1 1 128 128 LEU CG C 13 27.306 0.400 . 1 . . . A 128 LEU CG . 18135 1 1627 . 1 1 128 128 LEU CD1 C 13 24.421 0.400 . 1 . . . A 128 LEU CD1 . 18135 1 1628 . 1 1 128 128 LEU CD2 C 13 24.321 0.400 . 1 . . . A 128 LEU CD2 . 18135 1 1629 . 1 1 128 128 LEU N N 15 122.627 0.400 . 1 . . . A 128 LEU N . 18135 1 1630 . 1 1 129 129 TYR H H 1 7.518 0.020 . 1 . . . A 129 TYR H . 18135 1 1631 . 1 1 129 129 TYR HA H 1 3.890 0.020 . 1 . . . A 129 TYR HA . 18135 1 1632 . 1 1 129 129 TYR HB2 H 1 3.245 0.020 . 2 . . . A 129 TYR HB2 . 18135 1 1633 . 1 1 129 129 TYR HB3 H 1 2.767 0.020 . 2 . . . A 129 TYR HB3 . 18135 1 1634 . 1 1 129 129 TYR HD1 H 1 6.402 0.020 . 1 . . . A 129 TYR HD1 . 18135 1 1635 . 1 1 129 129 TYR HD2 H 1 6.402 0.020 . 1 . . . A 129 TYR HD2 . 18135 1 1636 . 1 1 129 129 TYR HE1 H 1 6.410 0.020 . 1 . . . A 129 TYR HE1 . 18135 1 1637 . 1 1 129 129 TYR HE2 H 1 6.410 0.020 . 1 . . . A 129 TYR HE2 . 18135 1 1638 . 1 1 129 129 TYR C C 13 176.040 0.400 . 1 . . . A 129 TYR C . 18135 1 1639 . 1 1 129 129 TYR CA C 13 61.493 0.400 . 1 . . . A 129 TYR CA . 18135 1 1640 . 1 1 129 129 TYR CB C 13 38.925 0.400 . 1 . . . A 129 TYR CB . 18135 1 1641 . 1 1 129 129 TYR CD1 C 13 132.790 0.400 . 1 . . . A 129 TYR CD1 . 18135 1 1642 . 1 1 129 129 TYR CD2 C 13 132.790 0.400 . 1 . . . A 129 TYR CD2 . 18135 1 1643 . 1 1 129 129 TYR CE1 C 13 118.212 0.400 . 1 . . . A 129 TYR CE1 . 18135 1 1644 . 1 1 129 129 TYR CE2 C 13 118.212 0.400 . 1 . . . A 129 TYR CE2 . 18135 1 1645 . 1 1 129 129 TYR N N 15 120.955 0.400 . 1 . . . A 129 TYR N . 18135 1 1646 . 1 1 130 130 LEU H H 1 7.717 0.020 . 1 . . . A 130 LEU H . 18135 1 1647 . 1 1 130 130 LEU HA H 1 2.845 0.020 . 1 . . . A 130 LEU HA . 18135 1 1648 . 1 1 130 130 LEU HB2 H 1 0.264 0.020 . 2 . . . A 130 LEU HB2 . 18135 1 1649 . 1 1 130 130 LEU HB3 H 1 1.299 0.020 . 2 . . . A 130 LEU HB3 . 18135 1 1650 . 1 1 130 130 LEU HG H 1 1.156 0.020 . 1 . . . A 130 LEU HG . 18135 1 1651 . 1 1 130 130 LEU HD11 H 1 -0.501 0.020 . 2 . . . A 130 LEU HD11 . 18135 1 1652 . 1 1 130 130 LEU HD12 H 1 -0.501 0.020 . 2 . . . A 130 LEU HD12 . 18135 1 1653 . 1 1 130 130 LEU HD13 H 1 -0.501 0.020 . 2 . . . A 130 LEU HD13 . 18135 1 1654 . 1 1 130 130 LEU HD21 H 1 -0.070 0.020 . 2 . . . A 130 LEU HD21 . 18135 1 1655 . 1 1 130 130 LEU HD22 H 1 -0.070 0.020 . 2 . . . A 130 LEU HD22 . 18135 1 1656 . 1 1 130 130 LEU HD23 H 1 -0.070 0.020 . 2 . . . A 130 LEU HD23 . 18135 1 1657 . 1 1 130 130 LEU C C 13 177.948 0.400 . 1 . . . A 130 LEU C . 18135 1 1658 . 1 1 130 130 LEU CA C 13 58.113 0.400 . 1 . . . A 130 LEU CA . 18135 1 1659 . 1 1 130 130 LEU CB C 13 41.586 0.400 . 1 . . . A 130 LEU CB . 18135 1 1660 . 1 1 130 130 LEU CG C 13 26.512 0.400 . 1 . . . A 130 LEU CG . 18135 1 1661 . 1 1 130 130 LEU CD1 C 13 21.635 0.400 . 1 . . . A 130 LEU CD1 . 18135 1 1662 . 1 1 130 130 LEU CD2 C 13 25.193 0.400 . 1 . . . A 130 LEU CD2 . 18135 1 1663 . 1 1 130 130 LEU N N 15 119.155 0.400 . 1 . . . A 130 LEU N . 18135 1 1664 . 1 1 131 131 LYS H H 1 7.493 0.020 . 1 . . . A 131 LYS H . 18135 1 1665 . 1 1 131 131 LYS HA H 1 3.408 0.020 . 1 . . . A 131 LYS HA . 18135 1 1666 . 1 1 131 131 LYS HB2 H 1 1.764 0.020 . 2 . . . A 131 LYS HB2 . 18135 1 1667 . 1 1 131 131 LYS HB3 H 1 1.735 0.020 . 2 . . . A 131 LYS HB3 . 18135 1 1668 . 1 1 131 131 LYS HG2 H 1 1.493 0.020 . 2 . . . A 131 LYS HG2 . 18135 1 1669 . 1 1 131 131 LYS HG3 H 1 1.306 0.020 . 2 . . . A 131 LYS HG3 . 18135 1 1670 . 1 1 131 131 LYS HD2 H 1 1.623 0.020 . 2 . . . A 131 LYS HD2 . 18135 1 1671 . 1 1 131 131 LYS HD3 H 1 1.601 0.020 . 2 . . . A 131 LYS HD3 . 18135 1 1672 . 1 1 131 131 LYS HE2 H 1 2.923 0.020 . 2 . . . A 131 LYS HE2 . 18135 1 1673 . 1 1 131 131 LYS HE3 H 1 2.923 0.020 . 2 . . . A 131 LYS HE3 . 18135 1 1674 . 1 1 131 131 LYS C C 13 181.265 0.400 . 1 . . . A 131 LYS C . 18135 1 1675 . 1 1 131 131 LYS CA C 13 59.731 0.400 . 1 . . . A 131 LYS CA . 18135 1 1676 . 1 1 131 131 LYS CB C 13 32.672 0.400 . 1 . . . A 131 LYS CB . 18135 1 1677 . 1 1 131 131 LYS CG C 13 25.232 0.400 . 1 . . . A 131 LYS CG . 18135 1 1678 . 1 1 131 131 LYS CD C 13 29.520 0.400 . 1 . . . A 131 LYS CD . 18135 1 1679 . 1 1 131 131 LYS CE C 13 41.986 0.400 . 1 . . . A 131 LYS CE . 18135 1 1680 . 1 1 131 131 LYS N N 15 116.832 0.400 . 1 . . . A 131 LYS N . 18135 1 1681 . 1 1 132 132 GLU H H 1 8.430 0.020 . 1 . . . A 132 GLU H . 18135 1 1682 . 1 1 132 132 GLU HA H 1 3.844 0.020 . 1 . . . A 132 GLU HA . 18135 1 1683 . 1 1 132 132 GLU HB2 H 1 2.026 0.020 . 2 . . . A 132 GLU HB2 . 18135 1 1684 . 1 1 132 132 GLU HB3 H 1 1.881 0.020 . 2 . . . A 132 GLU HB3 . 18135 1 1685 . 1 1 132 132 GLU HG2 H 1 2.422 0.020 . 2 . . . A 132 GLU HG2 . 18135 1 1686 . 1 1 132 132 GLU HG3 H 1 2.256 0.020 . 2 . . . A 132 GLU HG3 . 18135 1 1687 . 1 1 132 132 GLU C C 13 178.377 0.400 . 1 . . . A 132 GLU C . 18135 1 1688 . 1 1 132 132 GLU CA C 13 58.887 0.400 . 1 . . . A 132 GLU CA . 18135 1 1689 . 1 1 132 132 GLU CB C 13 28.667 0.400 . 1 . . . A 132 GLU CB . 18135 1 1690 . 1 1 132 132 GLU CG C 13 33.986 0.400 . 1 . . . A 132 GLU CG . 18135 1 1691 . 1 1 132 132 GLU N N 15 121.918 0.400 . 1 . . . A 132 GLU N . 18135 1 1692 . 1 1 133 133 LYS H H 1 7.390 0.020 . 1 . . . A 133 LYS H . 18135 1 1693 . 1 1 133 133 LYS HA H 1 3.966 0.020 . 1 . . . A 133 LYS HA . 18135 1 1694 . 1 1 133 133 LYS HB2 H 1 1.013 0.020 . 2 . . . A 133 LYS HB2 . 18135 1 1695 . 1 1 133 133 LYS HB3 H 1 1.696 0.020 . 2 . . . A 133 LYS HB3 . 18135 1 1696 . 1 1 133 133 LYS HG2 H 1 0.343 0.020 . 2 . . . A 133 LYS HG2 . 18135 1 1697 . 1 1 133 133 LYS HG3 H 1 0.743 0.020 . 2 . . . A 133 LYS HG3 . 18135 1 1698 . 1 1 133 133 LYS HD2 H 1 1.086 0.020 . 2 . . . A 133 LYS HD2 . 18135 1 1699 . 1 1 133 133 LYS HD3 H 1 1.222 0.020 . 2 . . . A 133 LYS HD3 . 18135 1 1700 . 1 1 133 133 LYS HE2 H 1 2.600 0.020 . 2 . . . A 133 LYS HE2 . 18135 1 1701 . 1 1 133 133 LYS HE3 H 1 2.713 0.020 . 2 . . . A 133 LYS HE3 . 18135 1 1702 . 1 1 133 133 LYS C C 13 175.282 0.400 . 1 . . . A 133 LYS C . 18135 1 1703 . 1 1 133 133 LYS CA C 13 54.298 0.400 . 1 . . . A 133 LYS CA . 18135 1 1704 . 1 1 133 133 LYS CB C 13 31.998 0.400 . 1 . . . A 133 LYS CB . 18135 1 1705 . 1 1 133 133 LYS CG C 13 23.169 0.400 . 1 . . . A 133 LYS CG . 18135 1 1706 . 1 1 133 133 LYS CD C 13 27.649 0.400 . 1 . . . A 133 LYS CD . 18135 1 1707 . 1 1 133 133 LYS CE C 13 42.650 0.400 . 1 . . . A 133 LYS CE . 18135 1 1708 . 1 1 133 133 LYS N N 15 116.079 0.400 . 1 . . . A 133 LYS N . 18135 1 1709 . 1 1 134 134 LYS H H 1 7.716 0.020 . 1 . . . A 134 LYS H . 18135 1 1710 . 1 1 134 134 LYS HA H 1 3.582 0.020 . 1 . . . A 134 LYS HA . 18135 1 1711 . 1 1 134 134 LYS HB2 H 1 1.852 0.020 . 2 . . . A 134 LYS HB2 . 18135 1 1712 . 1 1 134 134 LYS HB3 H 1 1.852 0.020 . 2 . . . A 134 LYS HB3 . 18135 1 1713 . 1 1 134 134 LYS HG2 H 1 1.258 0.020 . 2 . . . A 134 LYS HG2 . 18135 1 1714 . 1 1 134 134 LYS HG3 H 1 1.234 0.020 . 2 . . . A 134 LYS HG3 . 18135 1 1715 . 1 1 134 134 LYS HD2 H 1 1.620 0.020 . 2 . . . A 134 LYS HD2 . 18135 1 1716 . 1 1 134 134 LYS HD3 H 1 1.620 0.020 . 2 . . . A 134 LYS HD3 . 18135 1 1717 . 1 1 134 134 LYS HE2 H 1 2.952 0.020 . 2 . . . A 134 LYS HE2 . 18135 1 1718 . 1 1 134 134 LYS HE3 H 1 2.952 0.020 . 2 . . . A 134 LYS HE3 . 18135 1 1719 . 1 1 134 134 LYS C C 13 176.271 0.400 . 1 . . . A 134 LYS C . 18135 1 1720 . 1 1 134 134 LYS CA C 13 57.308 0.400 . 1 . . . A 134 LYS CA . 18135 1 1721 . 1 1 134 134 LYS CB C 13 28.802 0.400 . 1 . . . A 134 LYS CB . 18135 1 1722 . 1 1 134 134 LYS CG C 13 25.297 0.400 . 1 . . . A 134 LYS CG . 18135 1 1723 . 1 1 134 134 LYS CD C 13 29.453 0.400 . 1 . . . A 134 LYS CD . 18135 1 1724 . 1 1 134 134 LYS CE C 13 42.352 0.400 . 1 . . . A 134 LYS CE . 18135 1 1725 . 1 1 134 134 LYS N N 15 117.759 0.400 . 1 . . . A 134 LYS N . 18135 1 1726 . 1 1 135 135 TYR H H 1 8.428 0.020 . 1 . . . A 135 TYR H . 18135 1 1727 . 1 1 135 135 TYR HA H 1 2.877 0.020 . 1 . . . A 135 TYR HA . 18135 1 1728 . 1 1 135 135 TYR HB2 H 1 2.908 0.020 . 2 . . . A 135 TYR HB2 . 18135 1 1729 . 1 1 135 135 TYR HB3 H 1 3.318 0.020 . 2 . . . A 135 TYR HB3 . 18135 1 1730 . 1 1 135 135 TYR HD1 H 1 6.632 0.020 . 1 . . . A 135 TYR HD1 . 18135 1 1731 . 1 1 135 135 TYR HD2 H 1 6.632 0.020 . 1 . . . A 135 TYR HD2 . 18135 1 1732 . 1 1 135 135 TYR HE1 H 1 6.519 0.020 . 1 . . . A 135 TYR HE1 . 18135 1 1733 . 1 1 135 135 TYR HE2 H 1 6.519 0.020 . 1 . . . A 135 TYR HE2 . 18135 1 1734 . 1 1 135 135 TYR C C 13 174.148 0.400 . 1 . . . A 135 TYR C . 18135 1 1735 . 1 1 135 135 TYR CA C 13 59.715 0.400 . 1 . . . A 135 TYR CA . 18135 1 1736 . 1 1 135 135 TYR CB C 13 34.706 0.400 . 1 . . . A 135 TYR CB . 18135 1 1737 . 1 1 135 135 TYR CD1 C 13 133.555 0.400 . 1 . . . A 135 TYR CD1 . 18135 1 1738 . 1 1 135 135 TYR CD2 C 13 133.555 0.400 . 1 . . . A 135 TYR CD2 . 18135 1 1739 . 1 1 135 135 TYR CE1 C 13 118.050 0.400 . 1 . . . A 135 TYR CE1 . 18135 1 1740 . 1 1 135 135 TYR CE2 C 13 118.050 0.400 . 1 . . . A 135 TYR CE2 . 18135 1 1741 . 1 1 135 135 TYR N N 15 110.598 0.400 . 1 . . . A 135 TYR N . 18135 1 1742 . 1 1 136 136 SER H H 1 6.744 0.020 . 1 . . . A 136 SER H . 18135 1 1743 . 1 1 136 136 SER HA H 1 4.553 0.020 . 1 . . . A 136 SER HA . 18135 1 1744 . 1 1 136 136 SER HB2 H 1 4.013 0.020 . 2 . . . A 136 SER HB2 . 18135 1 1745 . 1 1 136 136 SER HB3 H 1 4.365 0.020 . 2 . . . A 136 SER HB3 . 18135 1 1746 . 1 1 136 136 SER CA C 13 57.108 0.400 . 1 . . . A 136 SER CA . 18135 1 1747 . 1 1 136 136 SER CB C 13 62.500 0.400 . 1 . . . A 136 SER CB . 18135 1 1748 . 1 1 136 136 SER N N 15 113.712 0.400 . 1 . . . A 136 SER N . 18135 1 1749 . 1 1 137 137 PRO HA H 1 4.165 0.020 . 1 . . . A 137 PRO HA . 18135 1 1750 . 1 1 137 137 PRO HB2 H 1 2.093 0.020 . 2 . . . A 137 PRO HB2 . 18135 1 1751 . 1 1 137 137 PRO HB3 H 1 2.093 0.020 . 2 . . . A 137 PRO HB3 . 18135 1 1752 . 1 1 137 137 PRO HD2 H 1 3.879 0.020 . 2 . . . A 137 PRO HD2 . 18135 1 1753 . 1 1 137 137 PRO HD3 H 1 3.879 0.020 . 2 . . . A 137 PRO HD3 . 18135 1 1754 . 1 1 137 137 PRO C C 13 180.675 0.400 . 1 . . . A 137 PRO C . 18135 1 1755 . 1 1 137 137 PRO CA C 13 65.657 0.400 . 1 . . . A 137 PRO CA . 18135 1 1756 . 1 1 137 137 PRO CB C 13 31.983 0.400 . 1 . . . A 137 PRO CB . 18135 1 1757 . 1 1 137 137 PRO CD C 13 50.493 0.400 . 1 . . . A 137 PRO CD . 18135 1 1758 . 1 1 138 138 CYS H H 1 8.580 0.020 . 1 . . . A 138 CYS H . 18135 1 1759 . 1 1 138 138 CYS HA H 1 4.670 0.020 . 1 . . . A 138 CYS HA . 18135 1 1760 . 1 1 138 138 CYS HB2 H 1 2.753 0.020 . 2 . . . A 138 CYS HB2 . 18135 1 1761 . 1 1 138 138 CYS HB3 H 1 2.893 0.020 . 2 . . . A 138 CYS HB3 . 18135 1 1762 . 1 1 138 138 CYS C C 13 176.015 0.400 . 1 . . . A 138 CYS C . 18135 1 1763 . 1 1 138 138 CYS CA C 13 57.095 0.400 . 1 . . . A 138 CYS CA . 18135 1 1764 . 1 1 138 138 CYS CB C 13 36.779 0.400 . 1 . . . A 138 CYS CB . 18135 1 1765 . 1 1 138 138 CYS N N 15 113.914 0.400 . 1 . . . A 138 CYS N . 18135 1 1766 . 1 1 139 139 ALA H H 1 8.087 0.020 . 1 . . . A 139 ALA H . 18135 1 1767 . 1 1 139 139 ALA HA H 1 4.449 0.020 . 1 . . . A 139 ALA HA . 18135 1 1768 . 1 1 139 139 ALA HB1 H 1 1.035 0.020 . 1 . . . A 139 ALA HB1 . 18135 1 1769 . 1 1 139 139 ALA HB2 H 1 1.035 0.020 . 1 . . . A 139 ALA HB2 . 18135 1 1770 . 1 1 139 139 ALA HB3 H 1 1.035 0.020 . 1 . . . A 139 ALA HB3 . 18135 1 1771 . 1 1 139 139 ALA C C 13 180.149 0.400 . 1 . . . A 139 ALA C . 18135 1 1772 . 1 1 139 139 ALA CA C 13 54.778 0.400 . 1 . . . A 139 ALA CA . 18135 1 1773 . 1 1 139 139 ALA CB C 13 18.918 0.400 . 1 . . . A 139 ALA CB . 18135 1 1774 . 1 1 139 139 ALA N N 15 125.290 0.400 . 1 . . . A 139 ALA N . 18135 1 1775 . 1 1 140 140 TRP H H 1 8.505 0.020 . 1 . . . A 140 TRP H . 18135 1 1776 . 1 1 140 140 TRP HA H 1 4.602 0.020 . 1 . . . A 140 TRP HA . 18135 1 1777 . 1 1 140 140 TRP HB2 H 1 3.351 0.020 . 2 . . . A 140 TRP HB2 . 18135 1 1778 . 1 1 140 140 TRP HB3 H 1 2.915 0.020 . 2 . . . A 140 TRP HB3 . 18135 1 1779 . 1 1 140 140 TRP HD1 H 1 6.773 0.020 . 1 . . . A 140 TRP HD1 . 18135 1 1780 . 1 1 140 140 TRP HE1 H 1 9.640 0.020 . 1 . . . A 140 TRP HE1 . 18135 1 1781 . 1 1 140 140 TRP HE3 H 1 8.190 0.020 . 1 . . . A 140 TRP HE3 . 18135 1 1782 . 1 1 140 140 TRP HZ2 H 1 6.969 0.020 . 1 . . . A 140 TRP HZ2 . 18135 1 1783 . 1 1 140 140 TRP HZ3 H 1 6.418 0.020 . 1 . . . A 140 TRP HZ3 . 18135 1 1784 . 1 1 140 140 TRP HH2 H 1 6.963 0.020 . 1 . . . A 140 TRP HH2 . 18135 1 1785 . 1 1 140 140 TRP C C 13 179.137 0.400 . 1 . . . A 140 TRP C . 18135 1 1786 . 1 1 140 140 TRP CA C 13 60.534 0.400 . 1 . . . A 140 TRP CA . 18135 1 1787 . 1 1 140 140 TRP CB C 13 29.258 0.400 . 1 . . . A 140 TRP CB . 18135 1 1788 . 1 1 140 140 TRP CD1 C 13 127.186 0.400 . 1 . . . A 140 TRP CD1 . 18135 1 1789 . 1 1 140 140 TRP CE3 C 13 121.900 0.400 . 1 . . . A 140 TRP CE3 . 18135 1 1790 . 1 1 140 140 TRP CZ2 C 13 114.564 0.400 . 1 . . . A 140 TRP CZ2 . 18135 1 1791 . 1 1 140 140 TRP CZ3 C 13 120.388 0.400 . 1 . . . A 140 TRP CZ3 . 18135 1 1792 . 1 1 140 140 TRP CH2 C 13 124.654 0.400 . 1 . . . A 140 TRP CH2 . 18135 1 1793 . 1 1 140 140 TRP N N 15 116.599 0.400 . 1 . . . A 140 TRP N . 18135 1 1794 . 1 1 140 140 TRP NE1 N 15 126.971 0.400 . 1 . . . A 140 TRP NE1 . 18135 1 1795 . 1 1 141 141 GLU H H 1 8.182 0.020 . 1 . . . A 141 GLU H . 18135 1 1796 . 1 1 141 141 GLU HA H 1 5.223 0.020 . 1 . . . A 141 GLU HA . 18135 1 1797 . 1 1 141 141 GLU HB2 H 1 2.138 0.020 . 2 . . . A 141 GLU HB2 . 18135 1 1798 . 1 1 141 141 GLU HB3 H 1 2.213 0.020 . 2 . . . A 141 GLU HB3 . 18135 1 1799 . 1 1 141 141 GLU HG2 H 1 2.370 0.020 . 2 . . . A 141 GLU HG2 . 18135 1 1800 . 1 1 141 141 GLU HG3 H 1 2.370 0.020 . 2 . . . A 141 GLU HG3 . 18135 1 1801 . 1 1 141 141 GLU C C 13 177.886 0.400 . 1 . . . A 141 GLU C . 18135 1 1802 . 1 1 141 141 GLU CA C 13 57.907 0.400 . 1 . . . A 141 GLU CA . 18135 1 1803 . 1 1 141 141 GLU CB C 13 28.717 0.400 . 1 . . . A 141 GLU CB . 18135 1 1804 . 1 1 141 141 GLU CG C 13 33.860 0.400 . 1 . . . A 141 GLU CG . 18135 1 1805 . 1 1 141 141 GLU N N 15 121.578 0.400 . 1 . . . A 141 GLU N . 18135 1 1806 . 1 1 142 142 VAL H H 1 8.623 0.020 . 1 . . . A 142 VAL H . 18135 1 1807 . 1 1 142 142 VAL HA H 1 3.630 0.020 . 1 . . . A 142 VAL HA . 18135 1 1808 . 1 1 142 142 VAL HB H 1 2.688 0.020 . 1 . . . A 142 VAL HB . 18135 1 1809 . 1 1 142 142 VAL HG11 H 1 0.996 0.020 . 2 . . . A 142 VAL HG11 . 18135 1 1810 . 1 1 142 142 VAL HG12 H 1 0.996 0.020 . 2 . . . A 142 VAL HG12 . 18135 1 1811 . 1 1 142 142 VAL HG13 H 1 0.996 0.020 . 2 . . . A 142 VAL HG13 . 18135 1 1812 . 1 1 142 142 VAL HG21 H 1 0.958 0.020 . 2 . . . A 142 VAL HG21 . 18135 1 1813 . 1 1 142 142 VAL HG22 H 1 0.958 0.020 . 2 . . . A 142 VAL HG22 . 18135 1 1814 . 1 1 142 142 VAL HG23 H 1 0.958 0.020 . 2 . . . A 142 VAL HG23 . 18135 1 1815 . 1 1 142 142 VAL C C 13 180.246 0.400 . 1 . . . A 142 VAL C . 18135 1 1816 . 1 1 142 142 VAL CA C 13 66.983 0.400 . 1 . . . A 142 VAL CA . 18135 1 1817 . 1 1 142 142 VAL CB C 13 31.822 0.400 . 1 . . . A 142 VAL CB . 18135 1 1818 . 1 1 142 142 VAL CG1 C 13 20.620 0.400 . 1 . . . A 142 VAL CG1 . 18135 1 1819 . 1 1 142 142 VAL CG2 C 13 23.367 0.400 . 1 . . . A 142 VAL CG2 . 18135 1 1820 . 1 1 142 142 VAL N N 15 121.202 0.400 . 1 . . . A 142 VAL N . 18135 1 1821 . 1 1 143 143 VAL H H 1 8.323 0.020 . 1 . . . A 143 VAL H . 18135 1 1822 . 1 1 143 143 VAL HA H 1 3.297 0.020 . 1 . . . A 143 VAL HA . 18135 1 1823 . 1 1 143 143 VAL HB H 1 2.409 0.020 . 1 . . . A 143 VAL HB . 18135 1 1824 . 1 1 143 143 VAL HG11 H 1 0.825 0.020 . 2 . . . A 143 VAL HG11 . 18135 1 1825 . 1 1 143 143 VAL HG12 H 1 0.825 0.020 . 2 . . . A 143 VAL HG12 . 18135 1 1826 . 1 1 143 143 VAL HG13 H 1 0.825 0.020 . 2 . . . A 143 VAL HG13 . 18135 1 1827 . 1 1 143 143 VAL HG21 H 1 0.876 0.020 . 2 . . . A 143 VAL HG21 . 18135 1 1828 . 1 1 143 143 VAL HG22 H 1 0.876 0.020 . 2 . . . A 143 VAL HG22 . 18135 1 1829 . 1 1 143 143 VAL HG23 H 1 0.876 0.020 . 2 . . . A 143 VAL HG23 . 18135 1 1830 . 1 1 143 143 VAL C C 13 176.407 0.400 . 1 . . . A 143 VAL C . 18135 1 1831 . 1 1 143 143 VAL CA C 13 67.978 0.400 . 1 . . . A 143 VAL CA . 18135 1 1832 . 1 1 143 143 VAL CB C 13 31.655 0.400 . 1 . . . A 143 VAL CB . 18135 1 1833 . 1 1 143 143 VAL CG1 C 13 22.283 0.400 . 1 . . . A 143 VAL CG1 . 18135 1 1834 . 1 1 143 143 VAL CG2 C 13 25.251 0.400 . 1 . . . A 143 VAL CG2 . 18135 1 1835 . 1 1 143 143 VAL N N 15 120.119 0.400 . 1 . . . A 143 VAL N . 18135 1 1836 . 1 1 144 144 ARG H H 1 9.619 0.020 . 1 . . . A 144 ARG H . 18135 1 1837 . 1 1 144 144 ARG HA H 1 3.697 0.020 . 1 . . . A 144 ARG HA . 18135 1 1838 . 1 1 144 144 ARG HB2 H 1 2.218 0.020 . 2 . . . A 144 ARG HB2 . 18135 1 1839 . 1 1 144 144 ARG HB3 H 1 2.464 0.020 . 2 . . . A 144 ARG HB3 . 18135 1 1840 . 1 1 144 144 ARG C C 13 178.127 0.400 . 1 . . . A 144 ARG C . 18135 1 1841 . 1 1 144 144 ARG CA C 13 61.001 0.400 . 1 . . . A 144 ARG CA . 18135 1 1842 . 1 1 144 144 ARG CB C 13 29.936 0.400 . 1 . . . A 144 ARG CB . 18135 1 1843 . 1 1 144 144 ARG N N 15 124.102 0.400 . 1 . . . A 144 ARG N . 18135 1 1844 . 1 1 145 145 ALA H H 1 8.867 0.020 . 1 . . . A 145 ALA H . 18135 1 1845 . 1 1 145 145 ALA HA H 1 3.851 0.020 . 1 . . . A 145 ALA HA . 18135 1 1846 . 1 1 145 145 ALA HB1 H 1 1.484 0.020 . 1 . . . A 145 ALA HB1 . 18135 1 1847 . 1 1 145 145 ALA HB2 H 1 1.484 0.020 . 1 . . . A 145 ALA HB2 . 18135 1 1848 . 1 1 145 145 ALA HB3 H 1 1.484 0.020 . 1 . . . A 145 ALA HB3 . 18135 1 1849 . 1 1 145 145 ALA C C 13 180.763 0.400 . 1 . . . A 145 ALA C . 18135 1 1850 . 1 1 145 145 ALA CA C 13 55.375 0.400 . 1 . . . A 145 ALA CA . 18135 1 1851 . 1 1 145 145 ALA CB C 13 18.185 0.400 . 1 . . . A 145 ALA CB . 18135 1 1852 . 1 1 145 145 ALA N N 15 119.431 0.400 . 1 . . . A 145 ALA N . 18135 1 1853 . 1 1 146 146 GLU H H 1 8.136 0.020 . 1 . . . A 146 GLU H . 18135 1 1854 . 1 1 146 146 GLU HA H 1 4.211 0.020 . 1 . . . A 146 GLU HA . 18135 1 1855 . 1 1 146 146 GLU HB2 H 1 2.070 0.020 . 2 . . . A 146 GLU HB2 . 18135 1 1856 . 1 1 146 146 GLU HB3 H 1 2.236 0.020 . 2 . . . A 146 GLU HB3 . 18135 1 1857 . 1 1 146 146 GLU HG2 H 1 2.200 0.020 . 2 . . . A 146 GLU HG2 . 18135 1 1858 . 1 1 146 146 GLU HG3 H 1 2.200 0.020 . 2 . . . A 146 GLU HG3 . 18135 1 1859 . 1 1 146 146 GLU C C 13 177.296 0.400 . 1 . . . A 146 GLU C . 18135 1 1860 . 1 1 146 146 GLU CA C 13 58.379 0.400 . 1 . . . A 146 GLU CA . 18135 1 1861 . 1 1 146 146 GLU CB C 13 28.134 0.400 . 1 . . . A 146 GLU CB . 18135 1 1862 . 1 1 146 146 GLU CG C 13 33.035 0.400 . 1 . . . A 146 GLU CG . 18135 1 1863 . 1 1 146 146 GLU N N 15 121.815 0.400 . 1 . . . A 146 GLU N . 18135 1 1864 . 1 1 147 147 ILE H H 1 8.736 0.020 . 1 . . . A 147 ILE H . 18135 1 1865 . 1 1 147 147 ILE HA H 1 3.970 0.020 . 1 . . . A 147 ILE HA . 18135 1 1866 . 1 1 147 147 ILE HB H 1 2.194 0.020 . 1 . . . A 147 ILE HB . 18135 1 1867 . 1 1 147 147 ILE HG12 H 1 1.742 0.020 . 2 . . . A 147 ILE HG12 . 18135 1 1868 . 1 1 147 147 ILE HG13 H 1 1.502 0.020 . 2 . . . A 147 ILE HG13 . 18135 1 1869 . 1 1 147 147 ILE HG21 H 1 0.925 0.020 . 1 . . . A 147 ILE HG21 . 18135 1 1870 . 1 1 147 147 ILE HG22 H 1 0.925 0.020 . 1 . . . A 147 ILE HG22 . 18135 1 1871 . 1 1 147 147 ILE HG23 H 1 0.925 0.020 . 1 . . . A 147 ILE HG23 . 18135 1 1872 . 1 1 147 147 ILE HD11 H 1 0.798 0.020 . 1 . . . A 147 ILE HD11 . 18135 1 1873 . 1 1 147 147 ILE HD12 H 1 0.798 0.020 . 1 . . . A 147 ILE HD12 . 18135 1 1874 . 1 1 147 147 ILE HD13 H 1 0.798 0.020 . 1 . . . A 147 ILE HD13 . 18135 1 1875 . 1 1 147 147 ILE C C 13 178.283 0.400 . 1 . . . A 147 ILE C . 18135 1 1876 . 1 1 147 147 ILE CA C 13 61.253 0.400 . 1 . . . A 147 ILE CA . 18135 1 1877 . 1 1 147 147 ILE CB C 13 35.339 0.400 . 1 . . . A 147 ILE CB . 18135 1 1878 . 1 1 147 147 ILE CG1 C 13 28.281 0.400 . 1 . . . A 147 ILE CG1 . 18135 1 1879 . 1 1 147 147 ILE CG2 C 13 18.555 0.400 . 1 . . . A 147 ILE CG2 . 18135 1 1880 . 1 1 147 147 ILE CD1 C 13 11.087 0.400 . 1 . . . A 147 ILE CD1 . 18135 1 1881 . 1 1 147 147 ILE N N 15 119.542 0.400 . 1 . . . A 147 ILE N . 18135 1 1882 . 1 1 148 148 MET H H 1 8.440 0.020 . 1 . . . A 148 MET H . 18135 1 1883 . 1 1 148 148 MET HA H 1 3.801 0.020 . 1 . . . A 148 MET HA . 18135 1 1884 . 1 1 148 148 MET HB2 H 1 2.168 0.020 . 2 . . . A 148 MET HB2 . 18135 1 1885 . 1 1 148 148 MET HB3 H 1 2.013 0.020 . 2 . . . A 148 MET HB3 . 18135 1 1886 . 1 1 148 148 MET HG2 H 1 2.548 0.020 . 2 . . . A 148 MET HG2 . 18135 1 1887 . 1 1 148 148 MET HG3 H 1 2.346 0.020 . 2 . . . A 148 MET HG3 . 18135 1 1888 . 1 1 148 148 MET HE1 H 1 2.052 0.020 . 1 . . . A 148 MET HE1 . 18135 1 1889 . 1 1 148 148 MET HE2 H 1 2.052 0.020 . 1 . . . A 148 MET HE2 . 18135 1 1890 . 1 1 148 148 MET HE3 H 1 2.052 0.020 . 1 . . . A 148 MET HE3 . 18135 1 1891 . 1 1 148 148 MET C C 13 178.210 0.400 . 1 . . . A 148 MET C . 18135 1 1892 . 1 1 148 148 MET CA C 13 60.184 0.400 . 1 . . . A 148 MET CA . 18135 1 1893 . 1 1 148 148 MET CB C 13 32.914 0.400 . 1 . . . A 148 MET CB . 18135 1 1894 . 1 1 148 148 MET CG C 13 32.951 0.400 . 1 . . . A 148 MET CG . 18135 1 1895 . 1 1 148 148 MET CE C 13 17.305 0.400 . 1 . . . A 148 MET CE . 18135 1 1896 . 1 1 148 148 MET N N 15 119.501 0.400 . 1 . . . A 148 MET N . 18135 1 1897 . 1 1 149 149 ARG H H 1 7.648 0.020 . 1 . . . A 149 ARG H . 18135 1 1898 . 1 1 149 149 ARG HA H 1 3.915 0.020 . 1 . . . A 149 ARG HA . 18135 1 1899 . 1 1 149 149 ARG HB2 H 1 2.072 0.020 . 2 . . . A 149 ARG HB2 . 18135 1 1900 . 1 1 149 149 ARG HB3 H 1 1.864 0.020 . 2 . . . A 149 ARG HB3 . 18135 1 1901 . 1 1 149 149 ARG HG2 H 1 1.316 0.020 . 2 . . . A 149 ARG HG2 . 18135 1 1902 . 1 1 149 149 ARG HG3 H 1 1.632 0.020 . 2 . . . A 149 ARG HG3 . 18135 1 1903 . 1 1 149 149 ARG HD2 H 1 3.133 0.020 . 2 . . . A 149 ARG HD2 . 18135 1 1904 . 1 1 149 149 ARG HD3 H 1 3.242 0.020 . 2 . . . A 149 ARG HD3 . 18135 1 1905 . 1 1 149 149 ARG C C 13 178.978 0.400 . 1 . . . A 149 ARG C . 18135 1 1906 . 1 1 149 149 ARG CA C 13 59.863 0.400 . 1 . . . A 149 ARG CA . 18135 1 1907 . 1 1 149 149 ARG CB C 13 30.280 0.400 . 1 . . . A 149 ARG CB . 18135 1 1908 . 1 1 149 149 ARG CG C 13 27.380 0.400 . 1 . . . A 149 ARG CG . 18135 1 1909 . 1 1 149 149 ARG CD C 13 43.058 0.400 . 1 . . . A 149 ARG CD . 18135 1 1910 . 1 1 149 149 ARG N N 15 119.734 0.400 . 1 . . . A 149 ARG N . 18135 1 1911 . 1 1 150 150 SER H H 1 9.194 0.020 . 1 . . . A 150 SER H . 18135 1 1912 . 1 1 150 150 SER HA H 1 3.339 0.020 . 1 . . . A 150 SER HA . 18135 1 1913 . 1 1 150 150 SER HB2 H 1 2.180 0.020 . 2 . . . A 150 SER HB2 . 18135 1 1914 . 1 1 150 150 SER HB3 H 1 2.725 0.020 . 2 . . . A 150 SER HB3 . 18135 1 1915 . 1 1 150 150 SER C C 13 177.292 0.400 . 1 . . . A 150 SER C . 18135 1 1916 . 1 1 150 150 SER CA C 13 61.316 0.400 . 1 . . . A 150 SER CA . 18135 1 1917 . 1 1 150 150 SER CB C 13 60.288 0.400 . 1 . . . A 150 SER CB . 18135 1 1918 . 1 1 150 150 SER N N 15 118.109 0.400 . 1 . . . A 150 SER N . 18135 1 1919 . 1 1 151 151 PHE H H 1 9.455 0.020 . 1 . . . A 151 PHE H . 18135 1 1920 . 1 1 151 151 PHE HA H 1 4.036 0.020 . 1 . . . A 151 PHE HA . 18135 1 1921 . 1 1 151 151 PHE HB2 H 1 3.011 0.020 . 2 . . . A 151 PHE HB2 . 18135 1 1922 . 1 1 151 151 PHE HB3 H 1 3.001 0.020 . 2 . . . A 151 PHE HB3 . 18135 1 1923 . 1 1 151 151 PHE HD1 H 1 6.863 0.020 . 1 . . . A 151 PHE HD1 . 18135 1 1924 . 1 1 151 151 PHE HD2 H 1 6.863 0.020 . 1 . . . A 151 PHE HD2 . 18135 1 1925 . 1 1 151 151 PHE HE1 H 1 7.165 0.020 . 1 . . . A 151 PHE HE1 . 18135 1 1926 . 1 1 151 151 PHE HE2 H 1 7.165 0.020 . 1 . . . A 151 PHE HE2 . 18135 1 1927 . 1 1 151 151 PHE C C 13 178.696 0.400 . 1 . . . A 151 PHE C . 18135 1 1928 . 1 1 151 151 PHE CA C 13 61.420 0.400 . 1 . . . A 151 PHE CA . 18135 1 1929 . 1 1 151 151 PHE CB C 13 38.886 0.400 . 1 . . . A 151 PHE CB . 18135 1 1930 . 1 1 151 151 PHE N N 15 125.265 0.400 . 1 . . . A 151 PHE N . 18135 1 1931 . 1 1 152 152 SER H H 1 7.839 0.020 . 1 . . . A 152 SER H . 18135 1 1932 . 1 1 152 152 SER HA H 1 3.880 0.020 . 1 . . . A 152 SER HA . 18135 1 1933 . 1 1 152 152 SER HB2 H 1 3.873 0.020 . 2 . . . A 152 SER HB2 . 18135 1 1934 . 1 1 152 152 SER HB3 H 1 3.873 0.020 . 2 . . . A 152 SER HB3 . 18135 1 1935 . 1 1 152 152 SER C C 13 175.858 0.400 . 1 . . . A 152 SER C . 18135 1 1936 . 1 1 152 152 SER CA C 13 62.388 0.400 . 1 . . . A 152 SER CA . 18135 1 1937 . 1 1 152 152 SER CB C 13 62.519 0.400 . 1 . . . A 152 SER CB . 18135 1 1938 . 1 1 152 152 SER N N 15 115.963 0.400 . 1 . . . A 152 SER N . 18135 1 1939 . 1 1 153 153 LEU H H 1 7.775 0.020 . 1 . . . A 153 LEU H . 18135 1 1940 . 1 1 153 153 LEU HA H 1 4.081 0.020 . 1 . . . A 153 LEU HA . 18135 1 1941 . 1 1 153 153 LEU HB2 H 1 1.428 0.020 . 2 . . . A 153 LEU HB2 . 18135 1 1942 . 1 1 153 153 LEU HB3 H 1 1.724 0.020 . 2 . . . A 153 LEU HB3 . 18135 1 1943 . 1 1 153 153 LEU HD11 H 1 0.788 0.020 . 2 . . . A 153 LEU HD11 . 18135 1 1944 . 1 1 153 153 LEU HD12 H 1 0.788 0.020 . 2 . . . A 153 LEU HD12 . 18135 1 1945 . 1 1 153 153 LEU HD13 H 1 0.788 0.020 . 2 . . . A 153 LEU HD13 . 18135 1 1946 . 1 1 153 153 LEU HD21 H 1 0.795 0.020 . 2 . . . A 153 LEU HD21 . 18135 1 1947 . 1 1 153 153 LEU HD22 H 1 0.795 0.020 . 2 . . . A 153 LEU HD22 . 18135 1 1948 . 1 1 153 153 LEU HD23 H 1 0.795 0.020 . 2 . . . A 153 LEU HD23 . 18135 1 1949 . 1 1 153 153 LEU C C 13 179.515 0.400 . 1 . . . A 153 LEU C . 18135 1 1950 . 1 1 153 153 LEU CA C 13 57.883 0.400 . 1 . . . A 153 LEU CA . 18135 1 1951 . 1 1 153 153 LEU CB C 13 42.342 0.400 . 1 . . . A 153 LEU CB . 18135 1 1952 . 1 1 153 153 LEU CD1 C 13 25.240 0.400 . 1 . . . A 153 LEU CD1 . 18135 1 1953 . 1 1 153 153 LEU CD2 C 13 23.551 0.400 . 1 . . . A 153 LEU CD2 . 18135 1 1954 . 1 1 153 153 LEU N N 15 121.365 0.400 . 1 . . . A 153 LEU N . 18135 1 1955 . 1 1 154 154 SER H H 1 7.874 0.020 . 1 . . . A 154 SER H . 18135 1 1956 . 1 1 154 154 SER HA H 1 3.781 0.020 . 1 . . . A 154 SER HA . 18135 1 1957 . 1 1 154 154 SER HB2 H 1 3.310 0.020 . 2 . . . A 154 SER HB2 . 18135 1 1958 . 1 1 154 154 SER HB3 H 1 3.377 0.020 . 2 . . . A 154 SER HB3 . 18135 1 1959 . 1 1 154 154 SER C C 13 174.312 0.400 . 1 . . . A 154 SER C . 18135 1 1960 . 1 1 154 154 SER CA C 13 61.366 0.400 . 1 . . . A 154 SER CA . 18135 1 1961 . 1 1 154 154 SER CB C 13 63.242 0.400 . 1 . . . A 154 SER CB . 18135 1 1962 . 1 1 154 154 SER N N 15 113.950 0.400 . 1 . . . A 154 SER N . 18135 1 1963 . 1 1 155 155 THR H H 1 7.176 0.020 . 1 . . . A 155 THR H . 18135 1 1964 . 1 1 155 155 THR HA H 1 4.060 0.020 . 1 . . . A 155 THR HA . 18135 1 1965 . 1 1 155 155 THR HB H 1 4.031 0.020 . 1 . . . A 155 THR HB . 18135 1 1966 . 1 1 155 155 THR HG21 H 1 0.607 0.020 . 1 . . . A 155 THR HG21 . 18135 1 1967 . 1 1 155 155 THR HG22 H 1 0.607 0.020 . 1 . . . A 155 THR HG22 . 18135 1 1968 . 1 1 155 155 THR HG23 H 1 0.607 0.020 . 1 . . . A 155 THR HG23 . 18135 1 1969 . 1 1 155 155 THR C C 13 174.798 0.400 . 1 . . . A 155 THR C . 18135 1 1970 . 1 1 155 155 THR CA C 13 62.275 0.400 . 1 . . . A 155 THR CA . 18135 1 1971 . 1 1 155 155 THR CB C 13 69.342 0.400 . 1 . . . A 155 THR CB . 18135 1 1972 . 1 1 155 155 THR CG2 C 13 21.675 0.400 . 1 . . . A 155 THR CG2 . 18135 1 1973 . 1 1 155 155 THR N N 15 109.346 0.400 . 1 . . . A 155 THR N . 18135 1 1974 . 1 1 156 156 ASN H H 1 7.749 0.020 . 1 . . . A 156 ASN H . 18135 1 1975 . 1 1 156 156 ASN HA H 1 4.527 0.020 . 1 . . . A 156 ASN HA . 18135 1 1976 . 1 1 156 156 ASN HB2 H 1 2.675 0.020 . 2 . . . A 156 ASN HB2 . 18135 1 1977 . 1 1 156 156 ASN HB3 H 1 2.865 0.020 . 2 . . . A 156 ASN HB3 . 18135 1 1978 . 1 1 156 156 ASN HD21 H 1 7.484 0.020 . 2 . . . A 156 ASN HD21 . 18135 1 1979 . 1 1 156 156 ASN HD22 H 1 6.826 0.020 . 2 . . . A 156 ASN HD22 . 18135 1 1980 . 1 1 156 156 ASN C C 13 175.528 0.400 . 1 . . . A 156 ASN C . 18135 1 1981 . 1 1 156 156 ASN CA C 13 53.937 0.400 . 1 . . . A 156 ASN CA . 18135 1 1982 . 1 1 156 156 ASN CB C 13 38.338 0.400 . 1 . . . A 156 ASN CB . 18135 1 1983 . 1 1 156 156 ASN N N 15 119.785 0.400 . 1 . . . A 156 ASN N . 18135 1 1984 . 1 1 156 156 ASN ND2 N 15 111.535 0.400 . 1 . . . A 156 ASN ND2 . 18135 1 1985 . 1 1 157 157 LEU H H 1 8.097 0.020 . 1 . . . A 157 LEU H . 18135 1 1986 . 1 1 157 157 LEU HA H 1 4.255 0.020 . 1 . . . A 157 LEU HA . 18135 1 1987 . 1 1 157 157 LEU HB2 H 1 1.506 0.020 . 2 . . . A 157 LEU HB2 . 18135 1 1988 . 1 1 157 157 LEU HB3 H 1 1.506 0.020 . 2 . . . A 157 LEU HB3 . 18135 1 1989 . 1 1 157 157 LEU HG H 1 1.623 0.020 . 1 . . . A 157 LEU HG . 18135 1 1990 . 1 1 157 157 LEU HD11 H 1 0.755 0.020 . 2 . . . A 157 LEU HD11 . 18135 1 1991 . 1 1 157 157 LEU HD12 H 1 0.755 0.020 . 2 . . . A 157 LEU HD12 . 18135 1 1992 . 1 1 157 157 LEU HD13 H 1 0.755 0.020 . 2 . . . A 157 LEU HD13 . 18135 1 1993 . 1 1 157 157 LEU HD21 H 1 0.759 0.020 . 2 . . . A 157 LEU HD21 . 18135 1 1994 . 1 1 157 157 LEU HD22 H 1 0.759 0.020 . 2 . . . A 157 LEU HD22 . 18135 1 1995 . 1 1 157 157 LEU HD23 H 1 0.759 0.020 . 2 . . . A 157 LEU HD23 . 18135 1 1996 . 1 1 157 157 LEU C C 13 174.702 0.400 . 1 . . . A 157 LEU C . 18135 1 1997 . 1 1 157 157 LEU CA C 13 55.674 0.400 . 1 . . . A 157 LEU CA . 18135 1 1998 . 1 1 157 157 LEU CB C 13 42.351 0.400 . 1 . . . A 157 LEU CB . 18135 1 1999 . 1 1 157 157 LEU CG C 13 25.328 0.400 . 1 . . . A 157 LEU CG . 18135 1 2000 . 1 1 157 157 LEU CD1 C 13 25.088 0.400 . 1 . . . A 157 LEU CD1 . 18135 1 2001 . 1 1 157 157 LEU CD2 C 13 23.788 0.400 . 1 . . . A 157 LEU CD2 . 18135 1 2002 . 1 1 157 157 LEU N N 15 120.552 0.400 . 1 . . . A 157 LEU N . 18135 1 2003 . 1 1 158 158 GLN H H 1 8.230 0.020 . 1 . . . A 158 GLN H . 18135 1 2004 . 1 1 158 158 GLN HA H 1 4.180 0.020 . 1 . . . A 158 GLN HA . 18135 1 2005 . 1 1 158 158 GLN HB2 H 1 1.984 0.020 . 2 . . . A 158 GLN HB2 . 18135 1 2006 . 1 1 158 158 GLN HB3 H 1 1.984 0.020 . 2 . . . A 158 GLN HB3 . 18135 1 2007 . 1 1 158 158 GLN HG2 H 1 2.317 0.020 . 2 . . . A 158 GLN HG2 . 18135 1 2008 . 1 1 158 158 GLN HG3 H 1 2.317 0.020 . 2 . . . A 158 GLN HG3 . 18135 1 2009 . 1 1 158 158 GLN HE21 H 1 7.438 0.020 . 2 . . . A 158 GLN HE21 . 18135 1 2010 . 1 1 158 158 GLN HE22 H 1 6.746 0.020 . 2 . . . A 158 GLN HE22 . 18135 1 2011 . 1 1 158 158 GLN C C 13 176.434 0.400 . 1 . . . A 158 GLN C . 18135 1 2012 . 1 1 158 158 GLN CA C 13 56.897 0.400 . 1 . . . A 158 GLN CA . 18135 1 2013 . 1 1 158 158 GLN CB C 13 29.010 0.400 . 1 . . . A 158 GLN CB . 18135 1 2014 . 1 1 158 158 GLN CG C 13 31.805 0.400 . 1 . . . A 158 GLN CG . 18135 1 2015 . 1 1 158 158 GLN N N 15 119.860 0.400 . 1 . . . A 158 GLN N . 18135 1 2016 . 1 1 158 158 GLN NE2 N 15 111.755 0.400 . 1 . . . A 158 GLN NE2 . 18135 1 2017 . 1 1 159 159 GLU H H 1 8.300 0.020 . 1 . . . A 159 GLU H . 18135 1 2018 . 1 1 159 159 GLU HA H 1 4.219 0.020 . 1 . . . A 159 GLU HA . 18135 1 2019 . 1 1 159 159 GLU HB2 H 1 1.943 0.020 . 2 . . . A 159 GLU HB2 . 18135 1 2020 . 1 1 159 159 GLU HB3 H 1 2.053 0.020 . 2 . . . A 159 GLU HB3 . 18135 1 2021 . 1 1 159 159 GLU HG2 H 1 2.367 0.020 . 2 . . . A 159 GLU HG2 . 18135 1 2022 . 1 1 159 159 GLU HG3 H 1 2.367 0.020 . 2 . . . A 159 GLU HG3 . 18135 1 2023 . 1 1 159 159 GLU C C 13 175.251 0.400 . 1 . . . A 159 GLU C . 18135 1 2024 . 1 1 159 159 GLU CA C 13 56.695 0.400 . 1 . . . A 159 GLU CA . 18135 1 2025 . 1 1 159 159 GLU CB C 13 28.981 0.400 . 1 . . . A 159 GLU CB . 18135 1 2026 . 1 1 159 159 GLU N N 15 120.461 0.400 . 1 . . . A 159 GLU N . 18135 1 2027 . 1 1 160 160 SER H H 1 8.113 0.020 . 1 . . . A 160 SER H . 18135 1 2028 . 1 1 160 160 SER HA H 1 4.372 0.020 . 1 . . . A 160 SER HA . 18135 1 2029 . 1 1 160 160 SER HB2 H 1 3.819 0.020 . 2 . . . A 160 SER HB2 . 18135 1 2030 . 1 1 160 160 SER HB3 H 1 3.819 0.020 . 2 . . . A 160 SER HB3 . 18135 1 2031 . 1 1 160 160 SER C C 13 174.188 0.400 . 1 . . . A 160 SER C . 18135 1 2032 . 1 1 160 160 SER CA C 13 58.481 0.400 . 1 . . . A 160 SER CA . 18135 1 2033 . 1 1 160 160 SER CB C 13 63.731 0.400 . 1 . . . A 160 SER CB . 18135 1 2034 . 1 1 160 160 SER N N 15 115.719 0.400 . 1 . . . A 160 SER N . 18135 1 2035 . 1 1 161 161 LEU H H 1 8.032 0.020 . 1 . . . A 161 LEU H . 18135 1 2036 . 1 1 161 161 LEU HA H 1 4.280 0.020 . 1 . . . A 161 LEU HA . 18135 1 2037 . 1 1 161 161 LEU HB2 H 1 1.536 0.020 . 2 . . . A 161 LEU HB2 . 18135 1 2038 . 1 1 161 161 LEU HB3 H 1 1.617 0.020 . 2 . . . A 161 LEU HB3 . 18135 1 2039 . 1 1 161 161 LEU HG H 1 1.606 0.020 . 1 . . . A 161 LEU HG . 18135 1 2040 . 1 1 161 161 LEU HD11 H 1 0.845 0.020 . 2 . . . A 161 LEU HD11 . 18135 1 2041 . 1 1 161 161 LEU HD12 H 1 0.845 0.020 . 2 . . . A 161 LEU HD12 . 18135 1 2042 . 1 1 161 161 LEU HD13 H 1 0.845 0.020 . 2 . . . A 161 LEU HD13 . 18135 1 2043 . 1 1 161 161 LEU HD21 H 1 0.782 0.020 . 2 . . . A 161 LEU HD21 . 18135 1 2044 . 1 1 161 161 LEU HD22 H 1 0.782 0.020 . 2 . . . A 161 LEU HD22 . 18135 1 2045 . 1 1 161 161 LEU HD23 H 1 0.782 0.020 . 2 . . . A 161 LEU HD23 . 18135 1 2046 . 1 1 161 161 LEU C C 13 177.293 0.400 . 1 . . . A 161 LEU C . 18135 1 2047 . 1 1 161 161 LEU CA C 13 55.190 0.400 . 1 . . . A 161 LEU CA . 18135 1 2048 . 1 1 161 161 LEU CB C 13 42.284 0.400 . 1 . . . A 161 LEU CB . 18135 1 2049 . 1 1 161 161 LEU CG C 13 26.685 0.400 . 1 . . . A 161 LEU CG . 18135 1 2050 . 1 1 161 161 LEU CD1 C 13 25.208 0.400 . 1 . . . A 161 LEU CD1 . 18135 1 2051 . 1 1 161 161 LEU CD2 C 13 23.141 0.400 . 1 . . . A 161 LEU CD2 . 18135 1 2052 . 1 1 161 161 LEU N N 15 123.794 0.400 . 1 . . . A 161 LEU N . 18135 1 2053 . 1 1 162 162 ARG H H 1 8.094 0.020 . 1 . . . A 162 ARG H . 18135 1 2054 . 1 1 162 162 ARG HA H 1 4.169 0.020 . 1 . . . A 162 ARG HA . 18135 1 2055 . 1 1 162 162 ARG HB2 H 1 1.702 0.020 . 2 . . . A 162 ARG HB2 . 18135 1 2056 . 1 1 162 162 ARG HB3 H 1 1.811 0.020 . 2 . . . A 162 ARG HB3 . 18135 1 2057 . 1 1 162 162 ARG HG2 H 1 1.533 0.020 . 2 . . . A 162 ARG HG2 . 18135 1 2058 . 1 1 162 162 ARG HG3 H 1 1.533 0.020 . 2 . . . A 162 ARG HG3 . 18135 1 2059 . 1 1 162 162 ARG HD2 H 1 3.132 0.020 . 2 . . . A 162 ARG HD2 . 18135 1 2060 . 1 1 162 162 ARG HD3 H 1 3.130 0.020 . 2 . . . A 162 ARG HD3 . 18135 1 2061 . 1 1 162 162 ARG C C 13 176.288 0.400 . 1 . . . A 162 ARG C . 18135 1 2062 . 1 1 162 162 ARG CA C 13 57.046 0.400 . 1 . . . A 162 ARG CA . 18135 1 2063 . 1 1 162 162 ARG CB C 13 30.935 0.400 . 1 . . . A 162 ARG CB . 18135 1 2064 . 1 1 162 162 ARG CG C 13 27.150 0.400 . 1 . . . A 162 ARG CG . 18135 1 2065 . 1 1 162 162 ARG CD C 13 43.384 0.400 . 1 . . . A 162 ARG CD . 18135 1 2066 . 1 1 162 162 ARG N N 15 120.715 0.400 . 1 . . . A 162 ARG N . 18135 1 2067 . 1 1 163 163 SER H H 1 8.191 0.020 . 1 . . . A 163 SER H . 18135 1 2068 . 1 1 163 163 SER HA H 1 4.372 0.020 . 1 . . . A 163 SER HA . 18135 1 2069 . 1 1 163 163 SER HB2 H 1 3.819 0.020 . 2 . . . A 163 SER HB2 . 18135 1 2070 . 1 1 163 163 SER HB3 H 1 3.819 0.020 . 2 . . . A 163 SER HB3 . 18135 1 2071 . 1 1 163 163 SER C C 13 174.184 0.400 . 1 . . . A 163 SER C . 18135 1 2072 . 1 1 163 163 SER CA C 13 58.481 0.400 . 1 . . . A 163 SER CA . 18135 1 2073 . 1 1 163 163 SER CB C 13 63.745 0.400 . 1 . . . A 163 SER CB . 18135 1 2074 . 1 1 163 163 SER N N 15 116.670 0.400 . 1 . . . A 163 SER N . 18135 1 2075 . 1 1 164 164 LYS H H 1 8.251 0.020 . 1 . . . A 164 LYS H . 18135 1 2076 . 1 1 164 164 LYS HA H 1 4.277 0.020 . 1 . . . A 164 LYS HA . 18135 1 2077 . 1 1 164 164 LYS HB2 H 1 1.700 0.020 . 2 . . . A 164 LYS HB2 . 18135 1 2078 . 1 1 164 164 LYS HB3 H 1 1.817 0.020 . 2 . . . A 164 LYS HB3 . 18135 1 2079 . 1 1 164 164 LYS HG2 H 1 1.354 0.020 . 2 . . . A 164 LYS HG2 . 18135 1 2080 . 1 1 164 164 LYS HG3 H 1 1.354 0.020 . 2 . . . A 164 LYS HG3 . 18135 1 2081 . 1 1 164 164 LYS HD2 H 1 1.644 0.020 . 2 . . . A 164 LYS HD2 . 18135 1 2082 . 1 1 164 164 LYS HD3 H 1 1.644 0.020 . 2 . . . A 164 LYS HD3 . 18135 1 2083 . 1 1 164 164 LYS HE2 H 1 2.952 0.020 . 2 . . . A 164 LYS HE2 . 18135 1 2084 . 1 1 164 164 LYS HE3 H 1 2.952 0.020 . 2 . . . A 164 LYS HE3 . 18135 1 2085 . 1 1 164 164 LYS C C 13 175.617 0.400 . 1 . . . A 164 LYS C . 18135 1 2086 . 1 1 164 164 LYS CA C 13 56.313 0.400 . 1 . . . A 164 LYS CA . 18135 1 2087 . 1 1 164 164 LYS CB C 13 32.965 0.400 . 1 . . . A 164 LYS CB . 18135 1 2088 . 1 1 164 164 LYS CG C 13 24.968 0.400 . 1 . . . A 164 LYS CG . 18135 1 2089 . 1 1 164 164 LYS CD C 13 29.041 0.400 . 1 . . . A 164 LYS CD . 18135 1 2090 . 1 1 164 164 LYS CE C 13 42.044 0.400 . 1 . . . A 164 LYS CE . 18135 1 2091 . 1 1 164 164 LYS N N 15 123.100 0.400 . 1 . . . A 164 LYS N . 18135 1 2092 . 1 1 165 165 GLU H H 1 8.018 0.020 . 1 . . . A 165 GLU H . 18135 1 2093 . 1 1 165 165 GLU HA H 1 4.148 0.020 . 1 . . . A 165 GLU HA . 18135 1 2094 . 1 1 165 165 GLU HB2 H 1 1.873 0.020 . 2 . . . A 165 GLU HB2 . 18135 1 2095 . 1 1 165 165 GLU HB3 H 1 2.039 0.020 . 2 . . . A 165 GLU HB3 . 18135 1 2096 . 1 1 165 165 GLU HG2 H 1 2.304 0.020 . 2 . . . A 165 GLU HG2 . 18135 1 2097 . 1 1 165 165 GLU HG3 H 1 2.304 0.020 . 2 . . . A 165 GLU HG3 . 18135 1 2098 . 1 1 165 165 GLU CA C 13 56.900 0.400 . 1 . . . A 165 GLU CA . 18135 1 2099 . 1 1 165 165 GLU CB C 13 29.514 0.400 . 1 . . . A 165 GLU CB . 18135 1 2100 . 1 1 165 165 GLU CG C 13 34.057 0.400 . 1 . . . A 165 GLU CG . 18135 1 2101 . 1 1 165 165 GLU N N 15 125.604 0.400 . 1 . . . A 165 GLU N . 18135 1 2102 . 2 2 1 1 A2G C1 C 13 101.700 0.400 . 1 . . . A 500 A2G C1 . 18135 1 2103 . 2 2 1 1 A2G H1 H 1 4.924 0.020 . 1 . . . A 500 A2G H1 . 18135 1 2104 . 2 2 1 1 A2G H8 H 1 1.948 0.020 . 1 . . . A 500 A2G H81 . 18135 1 2105 . 2 2 1 1 A2G H8A H 1 1.948 0.020 . 1 . . . A 500 A2G H82 . 18135 1 2106 . 2 2 1 1 A2G H8B H 1 1.948 0.020 . 1 . . . A 500 A2G H83 . 18135 1 stop_ save_