data_4198 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4198 _Entry.Title ; Three-dimensional Structure of an Evolutionarily Conserved N-terminal Domain of Syntaxin 1A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-09-09 _Entry.Accession_date 1998-09-09 _Entry.Last_release_date 1999-12-01 _Entry.Original_release_date 1999-12-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Imma Fernandez . . . 4198 2 Josep Ubach . . . 4198 3 Irina Dulubova . . . 4198 4 Xiangyang Zhang . . . 4198 5 Thomas Sudhof . C. . 4198 6 Josep Rizo . . . 4198 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4198 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 518 4198 '15N chemical shifts' 128 4198 '1H chemical shifts' 858 4198 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 1999-12-01 1998-09-09 original author . 4198 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4198 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98424252 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Three-dimensional Structure of an Evolutionarily Conserved N-terminal Domain of Syntaxin 1A ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full . _Citation.Journal_volume 94 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 841 _Citation.Page_last 849 _Citation.Year 1998 _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 Imma Fernandez . . . 4198 1 2 Josep Ubach . . . 4198 1 3 Irina Dulubova . . . 4198 1 4 Xiangyang Zhang . . . 4198 1 5 Thomas Sudhof . C. . 4198 1 6 Josep Rizo . . . 4198 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Nsyx _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Nsyx _Assembly.Entry_ID 4198 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of syntaxin 1A' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4198 1 stop_ 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 Nsyx 1 $Nsyx . . . native . . . . . 4198 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Nsyx abbreviation 4198 1 'N-terminal domain of syntaxin 1A' system 4198 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nsyx _Entity.Sf_category entity _Entity.Sf_framecode Nsyx _Entity.Entry_ID 4198 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'N-terminal domain of Syntaxin 1A' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSPGISGGGGGIPASMKDRT QELRTAKDSDDDDDVTVTVD RDRFMDEFFEQVEEIRGFID KIAENVEEVKRKHSAILASP NPDEKTKEELEELMSDIKKT ANKVRSKLKSIEQSIEQEEG LNRSSADLRIRKTQHSTLSR KFVEVMSEYNATQSDYRERS K ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 161 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 15646 . sx23 . . . . . 75.16 207 99.17 99.17 3.41e-77 . . . . 4198 1 2 no PDB 1BR0 . "Three Dimensional Structure Of The N-Terminal Domain Of Syntaxin 1a" . . . . . 74.53 120 100.00 100.00 4.51e-78 . . . . 4198 1 3 no PDB 1EZ3 . "Crystal Structure Of The Neuronal T-Snare Syntaxin-1a" . . . . . 76.40 127 99.19 99.19 1.27e-79 . . . . 4198 1 4 no PDB 3C98 . "Revised Structure Of The Munc18a-Syntaxin1 Complex" . . . . . 91.93 279 98.65 98.65 3.35e-96 . . . . 4198 1 5 no PDB 4JEH . "Crystal Structure Of Munc18a And Syntaxin1 Lacking N-peptide Complex" . . . . . 76.40 243 98.37 99.19 6.58e-78 . . . . 4198 1 6 no PDB 4JEU . "Crystal Structure Of Munc18a And Syntaxin1 With Native N-terminus Complex" . . . . . 90.06 242 99.31 99.31 6.90e-95 . . . . 4198 1 7 no DBJ BAA01231 . "HPC-1 antigen [Rattus norvegicus]" . . . . . 92.55 298 99.33 99.33 7.71e-98 . . . . 4198 1 8 no DBJ BAA02089 . "synaptotagmin associated 35kDa protein [Rattus norvegicus]" . . . . . 88.82 285 99.30 99.30 4.49e-93 . . . . 4198 1 9 no DBJ BAA07151 . "HPC-1 [Homo sapiens]" . . . . . 90.68 288 98.63 98.63 9.95e-95 . . . . 4198 1 10 no DBJ BAA28865 . "HPC-1/syntaxin [Mus musculus]" . . . . . 90.68 288 99.32 99.32 2.12e-95 . . . . 4198 1 11 no DBJ BAC78519 . "syntaxin 1C [Homo sapiens]" . . . . . 90.68 260 98.63 98.63 2.37e-94 . . . . 4198 1 12 no EMBL CAG33299 . "STX1A [Homo sapiens]" . . . . . 90.68 288 98.63 98.63 9.95e-95 . . . . 4198 1 13 no EMBL CAH93304 . "hypothetical protein [Pongo abelii]" . . . . . 90.68 288 98.63 98.63 1.24e-94 . . . . 4198 1 14 no GB AAA20940 . "syntaxin [Homo sapiens]" . . . . . 72.67 259 97.44 97.44 3.10e-71 . . . . 4198 1 15 no GB AAA42195 . "syntaxin A, partial [Rattus norvegicus]" . . . . . 88.82 285 99.30 99.30 4.49e-93 . . . . 4198 1 16 no GB AAA53519 . "syntaxin 1A [Homo sapiens]" . . . . . 90.68 288 98.63 98.63 9.95e-95 . . . . 4198 1 17 no GB AAB22525 . "syntaxin, P35A [rats, brain, Peptide Partial, 285 aa]" . . . . . 88.82 285 99.30 99.30 4.49e-93 . . . . 4198 1 18 no GB AAB65500 . "syntaxin 1C [Homo sapiens]" . . . . . 90.68 260 98.63 98.63 2.50e-94 . . . . 4198 1 19 no PIR G01485 . "syntaxin - human" . . . . . 72.67 259 97.44 97.44 3.10e-71 . . . . 4198 1 20 no PRF 2116295A . "syntaxin 1A" . . . . . 90.68 288 98.63 98.63 9.95e-95 . . . . 4198 1 21 no REF NP_001028037 . "syntaxin-1B [Macaca mulatta]" . . . . . 90.68 288 97.95 97.95 8.49e-94 . . . . 4198 1 22 no REF NP_001126944 . "syntaxin-1A [Pongo abelii]" . . . . . 90.68 288 98.63 98.63 1.24e-94 . . . . 4198 1 23 no REF NP_001159375 . "syntaxin-1A isoform 2 [Homo sapiens]" . . . . . 90.68 251 98.63 98.63 8.60e-95 . . . . 4198 1 24 no REF NP_004594 . "syntaxin-1A isoform 1 [Homo sapiens]" . . . . . 90.68 288 98.63 98.63 9.95e-95 . . . . 4198 1 25 no REF NP_058081 . "syntaxin-1A [Mus musculus]" . . . . . 90.68 288 99.32 99.32 2.12e-95 . . . . 4198 1 26 no SP O35526 . "RecName: Full=Syntaxin-1A; AltName: Full=Neuron-specific antigen HPC-1" . . . . . 90.68 288 99.32 99.32 2.12e-95 . . . . 4198 1 27 no SP P32850 . "RecName: Full=Syntaxin-1A; AltName: Full=Neuron-specific antigen HPC-1; AltName: Full=Synaptotagmin-associated 35 kDa protein; " . . . . . 90.68 288 98.63 99.32 1.01e-94 . . . . 4198 1 28 no SP P32851 . "RecName: Full=Syntaxin-1A; AltName: Full=Neuron-specific antigen HPC-1; AltName: Full=Synaptotagmin-associated 35 kDa protein; " . . . . . 90.68 288 99.32 99.32 2.29e-95 . . . . 4198 1 29 no SP Q16623 . "RecName: Full=Syntaxin-1A; AltName: Full=Neuron-specific antigen HPC-1" . . . . . 90.68 288 98.63 98.63 9.95e-95 . . . . 4198 1 30 no SP Q5R4L2 . "RecName: Full=Syntaxin-1A" . . . . . 90.68 288 98.63 98.63 1.24e-94 . . . . 4198 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Nsyx abbreviation 4198 1 'N-terminal domain of Syntaxin 1A' common 4198 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 . GLY . 4198 1 2 . SER . 4198 1 3 . PRO . 4198 1 4 . GLY . 4198 1 5 . ILE . 4198 1 6 . SER . 4198 1 7 . GLY . 4198 1 8 . GLY . 4198 1 9 . GLY . 4198 1 10 . GLY . 4198 1 11 . GLY . 4198 1 12 . ILE . 4198 1 13 . PRO . 4198 1 14 . ALA . 4198 1 15 . SER . 4198 1 16 . MET . 4198 1 17 . LYS . 4198 1 18 . ASP . 4198 1 19 . ARG . 4198 1 20 . THR . 4198 1 21 . GLN . 4198 1 22 . GLU . 4198 1 23 . LEU . 4198 1 24 . ARG . 4198 1 25 . THR . 4198 1 26 . ALA . 4198 1 27 . LYS . 4198 1 28 . ASP . 4198 1 29 . SER . 4198 1 30 . ASP . 4198 1 31 . ASP . 4198 1 32 . ASP . 4198 1 33 . ASP . 4198 1 34 . ASP . 4198 1 35 . VAL . 4198 1 36 . THR . 4198 1 37 . VAL . 4198 1 38 . THR . 4198 1 39 . VAL . 4198 1 40 . ASP . 4198 1 41 . ARG . 4198 1 42 . ASP . 4198 1 43 . ARG . 4198 1 44 . PHE . 4198 1 45 . MET . 4198 1 46 . ASP . 4198 1 47 . GLU . 4198 1 48 . PHE . 4198 1 49 . PHE . 4198 1 50 . GLU . 4198 1 51 . GLN . 4198 1 52 . VAL . 4198 1 53 . GLU . 4198 1 54 . GLU . 4198 1 55 . ILE . 4198 1 56 . ARG . 4198 1 57 . GLY . 4198 1 58 . PHE . 4198 1 59 . ILE . 4198 1 60 . ASP . 4198 1 61 . LYS . 4198 1 62 . ILE . 4198 1 63 . ALA . 4198 1 64 . GLU . 4198 1 65 . ASN . 4198 1 66 . VAL . 4198 1 67 . GLU . 4198 1 68 . GLU . 4198 1 69 . VAL . 4198 1 70 . LYS . 4198 1 71 . ARG . 4198 1 72 . LYS . 4198 1 73 . HIS . 4198 1 74 . SER . 4198 1 75 . ALA . 4198 1 76 . ILE . 4198 1 77 . LEU . 4198 1 78 . ALA . 4198 1 79 . SER . 4198 1 80 . PRO . 4198 1 81 . ASN . 4198 1 82 . PRO . 4198 1 83 . ASP . 4198 1 84 . GLU . 4198 1 85 . LYS . 4198 1 86 . THR . 4198 1 87 . LYS . 4198 1 88 . GLU . 4198 1 89 . GLU . 4198 1 90 . LEU . 4198 1 91 . GLU . 4198 1 92 . GLU . 4198 1 93 . LEU . 4198 1 94 . MET . 4198 1 95 . SER . 4198 1 96 . ASP . 4198 1 97 . ILE . 4198 1 98 . LYS . 4198 1 99 . LYS . 4198 1 100 . THR . 4198 1 101 . ALA . 4198 1 102 . ASN . 4198 1 103 . LYS . 4198 1 104 . VAL . 4198 1 105 . ARG . 4198 1 106 . SER . 4198 1 107 . LYS . 4198 1 108 . LEU . 4198 1 109 . LYS . 4198 1 110 . SER . 4198 1 111 . ILE . 4198 1 112 . GLU . 4198 1 113 . GLN . 4198 1 114 . SER . 4198 1 115 . ILE . 4198 1 116 . GLU . 4198 1 117 . GLN . 4198 1 118 . GLU . 4198 1 119 . GLU . 4198 1 120 . GLY . 4198 1 121 . LEU . 4198 1 122 . ASN . 4198 1 123 . ARG . 4198 1 124 . SER . 4198 1 125 . SER . 4198 1 126 . ALA . 4198 1 127 . ASP . 4198 1 128 . LEU . 4198 1 129 . ARG . 4198 1 130 . ILE . 4198 1 131 . ARG . 4198 1 132 . LYS . 4198 1 133 . THR . 4198 1 134 . GLN . 4198 1 135 . HIS . 4198 1 136 . SER . 4198 1 137 . THR . 4198 1 138 . LEU . 4198 1 139 . SER . 4198 1 140 . ARG . 4198 1 141 . LYS . 4198 1 142 . PHE . 4198 1 143 . VAL . 4198 1 144 . GLU . 4198 1 145 . VAL . 4198 1 146 . MET . 4198 1 147 . SER . 4198 1 148 . GLU . 4198 1 149 . TYR . 4198 1 150 . ASN . 4198 1 151 . ALA . 4198 1 152 . THR . 4198 1 153 . GLN . 4198 1 154 . SER . 4198 1 155 . ASP . 4198 1 156 . TYR . 4198 1 157 . ARG . 4198 1 158 . GLU . 4198 1 159 . ARG . 4198 1 160 . SER . 4198 1 161 . LYS . 4198 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 . GLY 1 1 4198 1 . SER 2 2 4198 1 . PRO 3 3 4198 1 . GLY 4 4 4198 1 . ILE 5 5 4198 1 . SER 6 6 4198 1 . GLY 7 7 4198 1 . GLY 8 8 4198 1 . GLY 9 9 4198 1 . GLY 10 10 4198 1 . GLY 11 11 4198 1 . ILE 12 12 4198 1 . PRO 13 13 4198 1 . ALA 14 14 4198 1 . SER 15 15 4198 1 . MET 16 16 4198 1 . LYS 17 17 4198 1 . ASP 18 18 4198 1 . ARG 19 19 4198 1 . THR 20 20 4198 1 . GLN 21 21 4198 1 . GLU 22 22 4198 1 . LEU 23 23 4198 1 . ARG 24 24 4198 1 . THR 25 25 4198 1 . ALA 26 26 4198 1 . LYS 27 27 4198 1 . ASP 28 28 4198 1 . SER 29 29 4198 1 . ASP 30 30 4198 1 . ASP 31 31 4198 1 . ASP 32 32 4198 1 . ASP 33 33 4198 1 . ASP 34 34 4198 1 . VAL 35 35 4198 1 . THR 36 36 4198 1 . VAL 37 37 4198 1 . THR 38 38 4198 1 . VAL 39 39 4198 1 . ASP 40 40 4198 1 . ARG 41 41 4198 1 . ASP 42 42 4198 1 . ARG 43 43 4198 1 . PHE 44 44 4198 1 . MET 45 45 4198 1 . ASP 46 46 4198 1 . GLU 47 47 4198 1 . PHE 48 48 4198 1 . PHE 49 49 4198 1 . GLU 50 50 4198 1 . GLN 51 51 4198 1 . VAL 52 52 4198 1 . GLU 53 53 4198 1 . GLU 54 54 4198 1 . ILE 55 55 4198 1 . ARG 56 56 4198 1 . GLY 57 57 4198 1 . PHE 58 58 4198 1 . ILE 59 59 4198 1 . ASP 60 60 4198 1 . LYS 61 61 4198 1 . ILE 62 62 4198 1 . ALA 63 63 4198 1 . GLU 64 64 4198 1 . ASN 65 65 4198 1 . VAL 66 66 4198 1 . GLU 67 67 4198 1 . GLU 68 68 4198 1 . VAL 69 69 4198 1 . LYS 70 70 4198 1 . ARG 71 71 4198 1 . LYS 72 72 4198 1 . HIS 73 73 4198 1 . SER 74 74 4198 1 . ALA 75 75 4198 1 . ILE 76 76 4198 1 . LEU 77 77 4198 1 . ALA 78 78 4198 1 . SER 79 79 4198 1 . PRO 80 80 4198 1 . ASN 81 81 4198 1 . PRO 82 82 4198 1 . ASP 83 83 4198 1 . GLU 84 84 4198 1 . LYS 85 85 4198 1 . THR 86 86 4198 1 . LYS 87 87 4198 1 . GLU 88 88 4198 1 . GLU 89 89 4198 1 . LEU 90 90 4198 1 . GLU 91 91 4198 1 . GLU 92 92 4198 1 . LEU 93 93 4198 1 . MET 94 94 4198 1 . SER 95 95 4198 1 . ASP 96 96 4198 1 . ILE 97 97 4198 1 . LYS 98 98 4198 1 . LYS 99 99 4198 1 . THR 100 100 4198 1 . ALA 101 101 4198 1 . ASN 102 102 4198 1 . LYS 103 103 4198 1 . VAL 104 104 4198 1 . ARG 105 105 4198 1 . SER 106 106 4198 1 . LYS 107 107 4198 1 . LEU 108 108 4198 1 . LYS 109 109 4198 1 . SER 110 110 4198 1 . ILE 111 111 4198 1 . GLU 112 112 4198 1 . GLN 113 113 4198 1 . SER 114 114 4198 1 . ILE 115 115 4198 1 . GLU 116 116 4198 1 . GLN 117 117 4198 1 . GLU 118 118 4198 1 . GLU 119 119 4198 1 . GLY 120 120 4198 1 . LEU 121 121 4198 1 . ASN 122 122 4198 1 . ARG 123 123 4198 1 . SER 124 124 4198 1 . SER 125 125 4198 1 . ALA 126 126 4198 1 . ASP 127 127 4198 1 . LEU 128 128 4198 1 . ARG 129 129 4198 1 . ILE 130 130 4198 1 . ARG 131 131 4198 1 . LYS 132 132 4198 1 . THR 133 133 4198 1 . GLN 134 134 4198 1 . HIS 135 135 4198 1 . SER 136 136 4198 1 . THR 137 137 4198 1 . LEU 138 138 4198 1 . SER 139 139 4198 1 . ARG 140 140 4198 1 . LYS 141 141 4198 1 . PHE 142 142 4198 1 . VAL 143 143 4198 1 . GLU 144 144 4198 1 . VAL 145 145 4198 1 . MET 146 146 4198 1 . SER 147 147 4198 1 . GLU 148 148 4198 1 . TYR 149 149 4198 1 . ASN 150 150 4198 1 . ALA 151 151 4198 1 . THR 152 152 4198 1 . GLN 153 153 4198 1 . SER 154 154 4198 1 . ASP 155 155 4198 1 . TYR 156 156 4198 1 . ARG 157 157 4198 1 . GLU 158 158 4198 1 . ARG 159 159 4198 1 . SER 160 160 4198 1 . LYS 161 161 4198 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4198 _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 $Nsyx . 10116 . . 'Rattus norvergicus' Rat . . Eukaryota Metazoa Rattus norvergicus . . . . . . . . . . . . . . . . . . . . . 4198 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 4198 _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 $Nsyx . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4198 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Sample.Sf_category sample _Sample.Sf_framecode sample1 _Sample.Entry_ID 4198 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'N-terminal domain of Syntaxin 1A' '[U-13C; U-15N]' . . 1 $Nsyx . . 1.0 . . mM . . . . 4198 1 stop_ save_ save_sample2 _Sample.Sf_category sample _Sample.Sf_framecode sample2 _Sample.Entry_ID 4198 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'N-terminal domain of Syntaxin 1A' [U-15N] . . 1 $Nsyx . . 1.0 . . mM . . . . 4198 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond1 _Sample_condition_list.Entry_ID 4198 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.3 0.2 n/a 4198 1 temperature 305 1 K 4198 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4198 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4198 _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 NMR_spectrometer Varian UNITY . 500 . . . 4198 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 4198 _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 '1N-15N TOCSY-HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4198 1 2 '1H-15N NOESY-HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4198 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4198 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4198 1 5 (H)CBCACO(CA)HA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4198 1 6 (H)C(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4198 1 7 H(C)(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4198 1 8 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4198 1 9 '3D 1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4198 1 10 '4D 1H-13C,1H-13C HMQC-NOESY-HMQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4198 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4198 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'The nitromethane was a 1:1 solution with CDCL3.' 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 0.0 . indirect 0.251449530 . . . . . . . . . 4198 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4198 1 N 15 nitromethane nitrogen . . . . ppm -379.6 external direct . . . . . . . . . . 4198 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_shifts1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shifts1 _Assigned_chem_shift_list.Entry_ID 4198 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample1 . 4198 1 . . 2 $sample2 . 4198 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 42 42 ASP H H 1 8.416 0.02 . 1 . . . . . . . . 4198 1 2 . 1 1 42 42 ASP HA H 1 4.57 0.02 . 1 . . . . . . . . 4198 1 3 . 1 1 42 42 ASP HB2 H 1 2.71 0.02 . 2 . . . . . . . . 4198 1 4 . 1 1 42 42 ASP HB3 H 1 2.58 0.02 . 2 . . . . . . . . 4198 1 5 . 1 1 42 42 ASP C C 13 176.322 0.25 . 1 . . . . . . . . 4198 1 6 . 1 1 42 42 ASP CA C 13 54.2 0.25 . 1 . . . . . . . . 4198 1 7 . 1 1 42 42 ASP CB C 13 41.059 0.25 . 1 . . . . . . . . 4198 1 8 . 1 1 42 42 ASP N N 15 123.721 0.1 . 1 . . . . . . . . 4198 1 9 . 1 1 43 43 ARG H H 1 8.244 0.02 . 1 . . . . . . . . 4198 1 10 . 1 1 43 43 ARG HA H 1 4.29 0.02 . 1 . . . . . . . . 4198 1 11 . 1 1 43 43 ARG HB2 H 1 1.8 0.02 . 2 . . . . . . . . 4198 1 12 . 1 1 43 43 ARG HB3 H 1 1.73 0.02 . 2 . . . . . . . . 4198 1 13 . 1 1 43 43 ARG HG2 H 1 1.51 0.02 . 1 . . . . . . . . 4198 1 14 . 1 1 43 43 ARG HG3 H 1 1.51 0.02 . 1 . . . . . . . . 4198 1 15 . 1 1 43 43 ARG HD2 H 1 3.12 0.02 . 1 . . . . . . . . 4198 1 16 . 1 1 43 43 ARG HD3 H 1 3.12 0.02 . 1 . . . . . . . . 4198 1 17 . 1 1 43 43 ARG C C 13 176.873 0.25 . 1 . . . . . . . . 4198 1 18 . 1 1 43 43 ARG CA C 13 56.737 0.25 . 1 . . . . . . . . 4198 1 19 . 1 1 43 43 ARG CB C 13 30.007 0.25 . 1 . . . . . . . . 4198 1 20 . 1 1 43 43 ARG CG C 13 26.755 0.25 . 1 . . . . . . . . 4198 1 21 . 1 1 43 43 ARG CD C 13 43.076 0.25 . 1 . . . . . . . . 4198 1 22 . 1 1 43 43 ARG N N 15 121.755 0.1 . 1 . . . . . . . . 4198 1 23 . 1 1 44 44 PHE H H 1 8.117 0.02 . 1 . . . . . . . . 4198 1 24 . 1 1 44 44 PHE HA H 1 4.42 0.02 . 1 . . . . . . . . 4198 1 25 . 1 1 44 44 PHE HB2 H 1 3.13 0.02 . 1 . . . . . . . . 4198 1 26 . 1 1 44 44 PHE HB3 H 1 3.13 0.02 . 1 . . . . . . . . 4198 1 27 . 1 1 44 44 PHE HD1 H 1 7.25 0.02 . 1 . . . . . . . . 4198 1 28 . 1 1 44 44 PHE HD2 H 1 7.25 0.02 . 1 . . . . . . . . 4198 1 29 . 1 1 44 44 PHE HE1 H 1 7.16 0.02 . 1 . . . . . . . . 4198 1 30 . 1 1 44 44 PHE HE2 H 1 7.16 0.02 . 1 . . . . . . . . 4198 1 31 . 1 1 44 44 PHE C C 13 177.659 0.25 . 1 . . . . . . . . 4198 1 32 . 1 1 44 44 PHE CA C 13 59.9 0.25 . 1 . . . . . . . . 4198 1 33 . 1 1 44 44 PHE CB C 13 38.78 0.25 . 1 . . . . . . . . 4198 1 34 . 1 1 44 44 PHE N N 15 120.14 0.1 . 1 . . . . . . . . 4198 1 35 . 1 1 45 45 MET H H 1 8.324 0.02 . 1 . . . . . . . . 4198 1 36 . 1 1 45 45 MET HA H 1 4.47 0.02 . 1 . . . . . . . . 4198 1 37 . 1 1 45 45 MET HB2 H 1 2.08 0.02 . 1 . . . . . . . . 4198 1 38 . 1 1 45 45 MET HB3 H 1 2.08 0.02 . 1 . . . . . . . . 4198 1 39 . 1 1 45 45 MET HG2 H 1 2.63 0.02 . 2 . . . . . . . . 4198 1 40 . 1 1 45 45 MET HG3 H 1 2.48 0.02 . 2 . . . . . . . . 4198 1 41 . 1 1 45 45 MET HE1 H 1 1.9 0.02 . 1 . . . . . . . . 4198 1 42 . 1 1 45 45 MET HE2 H 1 1.9 0.02 . 1 . . . . . . . . 4198 1 43 . 1 1 45 45 MET HE3 H 1 1.9 0.02 . 1 . . . . . . . . 4198 1 44 . 1 1 45 45 MET C C 13 177.307 0.25 . 1 . . . . . . . . 4198 1 45 . 1 1 45 45 MET CA C 13 55.83 0.25 . 1 . . . . . . . . 4198 1 46 . 1 1 45 45 MET CB C 13 31.03 0.25 . 1 . . . . . . . . 4198 1 47 . 1 1 45 45 MET CG C 13 32.67 0.25 . 1 . . . . . . . . 4198 1 48 . 1 1 45 45 MET CE C 13 16.9 0.25 . 1 . . . . . . . . 4198 1 49 . 1 1 45 45 MET N N 15 119.406 0.1 . 1 . . . . . . . . 4198 1 50 . 1 1 46 46 ASP H H 1 8.144 0.02 . 1 . . . . . . . . 4198 1 51 . 1 1 46 46 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 4198 1 52 . 1 1 46 46 ASP HB2 H 1 2.75 0.02 . 1 . . . . . . . . 4198 1 53 . 1 1 46 46 ASP HB3 H 1 2.75 0.02 . 1 . . . . . . . . 4198 1 54 . 1 1 46 46 ASP C C 13 178.731 0.25 . 1 . . . . . . . . 4198 1 55 . 1 1 46 46 ASP CA C 13 56.9 0.25 . 1 . . . . . . . . 4198 1 56 . 1 1 46 46 ASP CB C 13 40.454 0.25 . 1 . . . . . . . . 4198 1 57 . 1 1 46 46 ASP N N 15 121.119 0.1 . 1 . . . . . . . . 4198 1 58 . 1 1 47 47 GLU H H 1 8.315 0.02 . 1 . . . . . . . . 4198 1 59 . 1 1 47 47 GLU HA H 1 4.1 0.02 . 1 . . . . . . . . 4198 1 60 . 1 1 47 47 GLU HB2 H 1 2.05 0.02 . 1 . . . . . . . . 4198 1 61 . 1 1 47 47 GLU HB3 H 1 2.05 0.02 . 1 . . . . . . . . 4198 1 62 . 1 1 47 47 GLU HG2 H 1 2.38 0.02 . 2 . . . . . . . . 4198 1 63 . 1 1 47 47 GLU HG3 H 1 2.22 0.02 . 2 . . . . . . . . 4198 1 64 . 1 1 47 47 GLU C C 13 178.515 0.25 . 1 . . . . . . . . 4198 1 65 . 1 1 47 47 GLU CA C 13 58.876 0.25 . 1 . . . . . . . . 4198 1 66 . 1 1 47 47 GLU CB C 13 29.248 0.25 . 1 . . . . . . . . 4198 1 67 . 1 1 47 47 GLU CG C 13 36.543 0.25 . 1 . . . . . . . . 4198 1 68 . 1 1 47 47 GLU N N 15 120.287 0.1 . 1 . . . . . . . . 4198 1 69 . 1 1 48 48 PHE H H 1 8.042 0.02 . 1 . . . . . . . . 4198 1 70 . 1 1 48 48 PHE HA H 1 4.15 0.02 . 1 . . . . . . . . 4198 1 71 . 1 1 48 48 PHE HB2 H 1 3 0.02 . 1 . . . . . . . . 4198 1 72 . 1 1 48 48 PHE HB3 H 1 3 0.02 . 1 . . . . . . . . 4198 1 73 . 1 1 48 48 PHE HD1 H 1 6.84 0.02 . 1 . . . . . . . . 4198 1 74 . 1 1 48 48 PHE HD2 H 1 6.84 0.02 . 1 . . . . . . . . 4198 1 75 . 1 1 48 48 PHE HE1 H 1 6.99 0.02 . 1 . . . . . . . . 4198 1 76 . 1 1 48 48 PHE HE2 H 1 6.99 0.02 . 1 . . . . . . . . 4198 1 77 . 1 1 48 48 PHE HZ H 1 7.17 0.02 . 1 . . . . . . . . 4198 1 78 . 1 1 48 48 PHE C C 13 177.09 0.25 . 1 . . . . . . . . 4198 1 79 . 1 1 48 48 PHE CA C 13 61.305 0.25 . 1 . . . . . . . . 4198 1 80 . 1 1 48 48 PHE CB C 13 38.64 0.25 . 1 . . . . . . . . 4198 1 81 . 1 1 48 48 PHE CD1 C 13 132.03 0.25 . 1 . . . . . . . . 4198 1 82 . 1 1 48 48 PHE CD2 C 13 132.03 0.25 . 1 . . . . . . . . 4198 1 83 . 1 1 48 48 PHE CE1 C 13 130.23 0.25 . 1 . . . . . . . . 4198 1 84 . 1 1 48 48 PHE CE2 C 13 130.23 0.25 . 1 . . . . . . . . 4198 1 85 . 1 1 48 48 PHE N N 15 121.608 0.1 . 1 . . . . . . . . 4198 1 86 . 1 1 49 49 PHE H H 1 8.53 0.02 . 1 . . . . . . . . 4198 1 87 . 1 1 49 49 PHE HA H 1 4.06 0.02 . 1 . . . . . . . . 4198 1 88 . 1 1 49 49 PHE HB2 H 1 3.22 0.02 . 2 . . . . . . . . 4198 1 89 . 1 1 49 49 PHE HB3 H 1 3.1 0.02 . 2 . . . . . . . . 4198 1 90 . 1 1 49 49 PHE HD1 H 1 7.46 0.02 . 1 . . . . . . . . 4198 1 91 . 1 1 49 49 PHE HD2 H 1 7.46 0.02 . 1 . . . . . . . . 4198 1 92 . 1 1 49 49 PHE HE1 H 1 7.31 0.02 . 1 . . . . . . . . 4198 1 93 . 1 1 49 49 PHE HE2 H 1 7.31 0.02 . 1 . . . . . . . . 4198 1 94 . 1 1 49 49 PHE HZ H 1 7.4 0.02 . 1 . . . . . . . . 4198 1 95 . 1 1 49 49 PHE C C 13 178.691 0.25 . 1 . . . . . . . . 4198 1 96 . 1 1 49 49 PHE CA C 13 61.949 0.25 . 1 . . . . . . . . 4198 1 97 . 1 1 49 49 PHE CB C 13 37.881 0.25 . 1 . . . . . . . . 4198 1 98 . 1 1 49 49 PHE CD1 C 13 131.47 0.25 . 1 . . . . . . . . 4198 1 99 . 1 1 49 49 PHE CD2 C 13 131.47 0.25 . 1 . . . . . . . . 4198 1 100 . 1 1 49 49 PHE CE1 C 13 131.24 0.25 . 1 . . . . . . . . 4198 1 101 . 1 1 49 49 PHE CE2 C 13 131.24 0.25 . 1 . . . . . . . . 4198 1 102 . 1 1 49 49 PHE CZ C 13 130.96 0.25 . 1 . . . . . . . . 4198 1 103 . 1 1 49 49 PHE N N 15 117.64 0.1 . 1 . . . . . . . . 4198 1 104 . 1 1 50 50 GLU H H 1 7.989 0.02 . 1 . . . . . . . . 4198 1 105 . 1 1 50 50 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 4198 1 106 . 1 1 50 50 GLU HB2 H 1 2.22 0.02 . 2 . . . . . . . . 4198 1 107 . 1 1 50 50 GLU HB3 H 1 2.06 0.02 . 2 . . . . . . . . 4198 1 108 . 1 1 50 50 GLU HG2 H 1 2.41 0.02 . 2 . . . . . . . . 4198 1 109 . 1 1 50 50 GLU HG3 H 1 2.22 0.02 . 2 . . . . . . . . 4198 1 110 . 1 1 50 50 GLU C C 13 179.354 0.25 . 1 . . . . . . . . 4198 1 111 . 1 1 50 50 GLU CA C 13 59.493 0.25 . 1 . . . . . . . . 4198 1 112 . 1 1 50 50 GLU CB C 13 29.085 0.25 . 1 . . . . . . . . 4198 1 113 . 1 1 50 50 GLU CG C 13 36.111 0.25 . 1 . . . . . . . . 4198 1 114 . 1 1 50 50 GLU N N 15 120.867 0.1 . 1 . . . . . . . . 4198 1 115 . 1 1 51 51 GLN H H 1 7.78 0.02 . 1 . . . . . . . . 4198 1 116 . 1 1 51 51 GLN HA H 1 4.06 0.02 . 1 . . . . . . . . 4198 1 117 . 1 1 51 51 GLN HB2 H 1 2.21 0.02 . 2 . . . . . . . . 4198 1 118 . 1 1 51 51 GLN HB3 H 1 2.06 0.02 . 2 . . . . . . . . 4198 1 119 . 1 1 51 51 GLN HG2 H 1 2.49 0.02 . 2 . . . . . . . . 4198 1 120 . 1 1 51 51 GLN HG3 H 1 2.33 0.02 . 2 . . . . . . . . 4198 1 121 . 1 1 51 51 GLN HE21 H 1 7.26 0.02 . 1 . . . . . . . . 4198 1 122 . 1 1 51 51 GLN HE22 H 1 6.73 0.02 . 1 . . . . . . . . 4198 1 123 . 1 1 51 51 GLN C C 13 178.91 0.25 . 1 . . . . . . . . 4198 1 124 . 1 1 51 51 GLN CA C 13 59.237 0.25 . 1 . . . . . . . . 4198 1 125 . 1 1 51 51 GLN CB C 13 28.52 0.25 . 1 . . . . . . . . 4198 1 126 . 1 1 51 51 GLN CG C 13 34.31 0.25 . 1 . . . . . . . . 4198 1 127 . 1 1 51 51 GLN N N 15 120.287 0.1 . 1 . . . . . . . . 4198 1 128 . 1 1 51 51 GLN NE2 N 15 114.18 0.1 . 1 . . . . . . . . 4198 1 129 . 1 1 52 52 VAL H H 1 8.102 0.02 . 1 . . . . . . . . 4198 1 130 . 1 1 52 52 VAL HA H 1 3.23 0.02 . 1 . . . . . . . . 4198 1 131 . 1 1 52 52 VAL HB H 1 2.06 0.02 . 1 . . . . . . . . 4198 1 132 . 1 1 52 52 VAL HG11 H 1 0.81 0.02 . 2 . . . . . . . . 4198 1 133 . 1 1 52 52 VAL HG12 H 1 0.81 0.02 . 2 . . . . . . . . 4198 1 134 . 1 1 52 52 VAL HG13 H 1 0.81 0.02 . 2 . . . . . . . . 4198 1 135 . 1 1 52 52 VAL HG21 H 1 0.3 0.02 . 2 . . . . . . . . 4198 1 136 . 1 1 52 52 VAL HG22 H 1 0.3 0.02 . 2 . . . . . . . . 4198 1 137 . 1 1 52 52 VAL HG23 H 1 0.3 0.02 . 2 . . . . . . . . 4198 1 138 . 1 1 52 52 VAL C C 13 177.3 0.25 . 1 . . . . . . . . 4198 1 139 . 1 1 52 52 VAL CA C 13 66.5 0.25 . 1 . . . . . . . . 4198 1 140 . 1 1 52 52 VAL CB C 13 31.33 0.25 . 1 . . . . . . . . 4198 1 141 . 1 1 52 52 VAL CG1 C 13 20.98 0.25 . 1 . . . . . . . . 4198 1 142 . 1 1 52 52 VAL CG2 C 13 23.04 0.25 . 1 . . . . . . . . 4198 1 143 . 1 1 52 52 VAL N N 15 119.406 0.1 . 1 . . . . . . . . 4198 1 144 . 1 1 53 53 GLU H H 1 7.85 0.02 . 1 . . . . . . . . 4198 1 145 . 1 1 53 53 GLU HA H 1 3.96 0.02 . 1 . . . . . . . . 4198 1 146 . 1 1 53 53 GLU HB2 H 1 2 0.02 . 1 . . . . . . . . 4198 1 147 . 1 1 53 53 GLU HB3 H 1 2 0.02 . 1 . . . . . . . . 4198 1 148 . 1 1 53 53 GLU HG2 H 1 2.23 0.02 . 1 . . . . . . . . 4198 1 149 . 1 1 53 53 GLU HG3 H 1 2.23 0.02 . 1 . . . . . . . . 4198 1 150 . 1 1 53 53 GLU C C 13 179.456 0.25 . 1 . . . . . . . . 4198 1 151 . 1 1 53 53 GLU CA C 13 58.723 0.25 . 1 . . . . . . . . 4198 1 152 . 1 1 53 53 GLU CB C 13 29.159 0.25 . 1 . . . . . . . . 4198 1 153 . 1 1 53 53 GLU CG C 13 35.789 0.25 . 1 . . . . . . . . 4198 1 154 . 1 1 53 53 GLU N N 15 118.82 0.1 . 1 . . . . . . . . 4198 1 155 . 1 1 54 54 GLU H H 1 7.758 0.02 . 1 . . . . . . . . 4198 1 156 . 1 1 54 54 GLU HA H 1 3.72 0.02 . 1 . . . . . . . . 4198 1 157 . 1 1 54 54 GLU HB2 H 1 1.98 0.02 . 1 . . . . . . . . 4198 1 158 . 1 1 54 54 GLU HB3 H 1 1.98 0.02 . 1 . . . . . . . . 4198 1 159 . 1 1 54 54 GLU HG2 H 1 2.01 0.02 . 2 . . . . . . . . 4198 1 160 . 1 1 54 54 GLU HG3 H 1 1.69 0.02 . 2 . . . . . . . . 4198 1 161 . 1 1 54 54 GLU C C 13 178.832 0.25 . 1 . . . . . . . . 4198 1 162 . 1 1 54 54 GLU CA C 13 58.92 0.25 . 1 . . . . . . . . 4198 1 163 . 1 1 54 54 GLU CB C 13 29.516 0.25 . 1 . . . . . . . . 4198 1 164 . 1 1 54 54 GLU CG C 13 36.582 0.25 . 1 . . . . . . . . 4198 1 165 . 1 1 54 54 GLU N N 15 121.023 0.1 . 1 . . . . . . . . 4198 1 166 . 1 1 55 55 ILE H H 1 8.126 0.02 . 1 . . . . . . . . 4198 1 167 . 1 1 55 55 ILE HA H 1 3.48 0.02 . 1 . . . . . . . . 4198 1 168 . 1 1 55 55 ILE HB H 1 1.86 0.02 . 1 . . . . . . . . 4198 1 169 . 1 1 55 55 ILE HG12 H 1 1.97 0.02 . 2 . . . . . . . . 4198 1 170 . 1 1 55 55 ILE HG13 H 1 0.69 0.02 . 2 . . . . . . . . 4198 1 171 . 1 1 55 55 ILE HG21 H 1 0.89 0.02 . 1 . . . . . . . . 4198 1 172 . 1 1 55 55 ILE HG22 H 1 0.89 0.02 . 1 . . . . . . . . 4198 1 173 . 1 1 55 55 ILE HG23 H 1 0.89 0.02 . 1 . . . . . . . . 4198 1 174 . 1 1 55 55 ILE HD11 H 1 0.7 0.02 . 1 . . . . . . . . 4198 1 175 . 1 1 55 55 ILE HD12 H 1 0.7 0.02 . 1 . . . . . . . . 4198 1 176 . 1 1 55 55 ILE HD13 H 1 0.7 0.02 . 1 . . . . . . . . 4198 1 177 . 1 1 55 55 ILE C C 13 177.44 0.25 . 1 . . . . . . . . 4198 1 178 . 1 1 55 55 ILE CA C 13 65.961 0.25 . 1 . . . . . . . . 4198 1 179 . 1 1 55 55 ILE CB C 13 37.56 0.25 . 1 . . . . . . . . 4198 1 180 . 1 1 55 55 ILE CG1 C 13 29.8 0.25 . 1 . . . . . . . . 4198 1 181 . 1 1 55 55 ILE CG2 C 13 19.49 0.25 . 1 . . . . . . . . 4198 1 182 . 1 1 55 55 ILE CD1 C 13 14.7 0.25 . 1 . . . . . . . . 4198 1 183 . 1 1 55 55 ILE N N 15 118.965 0.1 . 1 . . . . . . . . 4198 1 184 . 1 1 56 56 ARG H H 1 8.801 0.02 . 1 . . . . . . . . 4198 1 185 . 1 1 56 56 ARG HA H 1 3.67 0.02 . 1 . . . . . . . . 4198 1 186 . 1 1 56 56 ARG HB2 H 1 1.84 0.02 . 1 . . . . . . . . 4198 1 187 . 1 1 56 56 ARG HB3 H 1 1.84 0.02 . 1 . . . . . . . . 4198 1 188 . 1 1 56 56 ARG HG2 H 1 1.65 0.02 . 2 . . . . . . . . 4198 1 189 . 1 1 56 56 ARG HG3 H 1 1.56 0.02 . 2 . . . . . . . . 4198 1 190 . 1 1 56 56 ARG HD2 H 1 3.16 0.02 . 1 . . . . . . . . 4198 1 191 . 1 1 56 56 ARG HD3 H 1 3.16 0.02 . 1 . . . . . . . . 4198 1 192 . 1 1 56 56 ARG C C 13 178.536 0.25 . 1 . . . . . . . . 4198 1 193 . 1 1 56 56 ARG CA C 13 60.143 0.25 . 1 . . . . . . . . 4198 1 194 . 1 1 56 56 ARG CB C 13 29.579 0.25 . 1 . . . . . . . . 4198 1 195 . 1 1 56 56 ARG CG C 13 27.307 0.25 . 1 . . . . . . . . 4198 1 196 . 1 1 56 56 ARG CD C 13 42.994 0.25 . 1 . . . . . . . . 4198 1 197 . 1 1 56 56 ARG N N 15 120.727 0.1 . 1 . . . . . . . . 4198 1 198 . 1 1 57 57 GLY H H 1 7.897 0.02 . 1 . . . . . . . . 4198 1 199 . 1 1 57 57 GLY HA2 H 1 3.93 0.02 . 2 . . . . . . . . 4198 1 200 . 1 1 57 57 GLY HA3 H 1 3.84 0.02 . 2 . . . . . . . . 4198 1 201 . 1 1 57 57 GLY C C 13 177.181 0.25 . 1 . . . . . . . . 4198 1 202 . 1 1 57 57 GLY CA C 13 47.03 0.25 . 1 . . . . . . . . 4198 1 203 . 1 1 57 57 GLY N N 15 104.7 0.1 . 1 . . . . . . . . 4198 1 204 . 1 1 58 58 PHE H H 1 7.856 0.02 . 1 . . . . . . . . 4198 1 205 . 1 1 58 58 PHE HA H 1 4.6 0.02 . 1 . . . . . . . . 4198 1 206 . 1 1 58 58 PHE HB2 H 1 3.24 0.02 . 2 . . . . . . . . 4198 1 207 . 1 1 58 58 PHE HB3 H 1 2.88 0.02 . 2 . . . . . . . . 4198 1 208 . 1 1 58 58 PHE HD1 H 1 7.08 0.02 . 1 . . . . . . . . 4198 1 209 . 1 1 58 58 PHE HD2 H 1 7.08 0.02 . 1 . . . . . . . . 4198 1 210 . 1 1 58 58 PHE HE1 H 1 7.27 0.02 . 1 . . . . . . . . 4198 1 211 . 1 1 58 58 PHE HE2 H 1 7.27 0.02 . 1 . . . . . . . . 4198 1 212 . 1 1 58 58 PHE HZ H 1 7.32 0.02 . 1 . . . . . . . . 4198 1 213 . 1 1 58 58 PHE C C 13 178.199 0.25 . 1 . . . . . . . . 4198 1 214 . 1 1 58 58 PHE CA C 13 58.439 0.25 . 1 . . . . . . . . 4198 1 215 . 1 1 58 58 PHE CB C 13 38.643 0.25 . 1 . . . . . . . . 4198 1 216 . 1 1 58 58 PHE CD1 C 13 132.4 0.25 . 1 . . . . . . . . 4198 1 217 . 1 1 58 58 PHE CD2 C 13 132.4 0.25 . 1 . . . . . . . . 4198 1 218 . 1 1 58 58 PHE N N 15 121.755 0.1 . 1 . . . . . . . . 4198 1 219 . 1 1 59 59 ILE H H 1 8.566 0.02 . 1 . . . . . . . . 4198 1 220 . 1 1 59 59 ILE HA H 1 3.62 0.02 . 1 . . . . . . . . 4198 1 221 . 1 1 59 59 ILE HB H 1 2.02 0.02 . 1 . . . . . . . . 4198 1 222 . 1 1 59 59 ILE HG12 H 1 2.03 0.02 . 2 . . . . . . . . 4198 1 223 . 1 1 59 59 ILE HG13 H 1 0.91 0.02 . 2 . . . . . . . . 4198 1 224 . 1 1 59 59 ILE HG21 H 1 1 0.02 . 1 . . . . . . . . 4198 1 225 . 1 1 59 59 ILE HG22 H 1 1 0.02 . 1 . . . . . . . . 4198 1 226 . 1 1 59 59 ILE HG23 H 1 1 0.02 . 1 . . . . . . . . 4198 1 227 . 1 1 59 59 ILE HD11 H 1 0.91 0.02 . 1 . . . . . . . . 4198 1 228 . 1 1 59 59 ILE HD12 H 1 0.91 0.02 . 1 . . . . . . . . 4198 1 229 . 1 1 59 59 ILE HD13 H 1 0.91 0.02 . 1 . . . . . . . . 4198 1 230 . 1 1 59 59 ILE C C 13 177.356 0.25 . 1 . . . . . . . . 4198 1 231 . 1 1 59 59 ILE CA C 13 66.77 0.25 . 1 . . . . . . . . 4198 1 232 . 1 1 59 59 ILE CB C 13 37.69 0.25 . 1 . . . . . . . . 4198 1 233 . 1 1 59 59 ILE CG1 C 13 30.9 0.25 . 1 . . . . . . . . 4198 1 234 . 1 1 59 59 ILE CG2 C 13 18.03 0.25 . 1 . . . . . . . . 4198 1 235 . 1 1 59 59 ILE CD1 C 13 15.33 0.25 . 1 . . . . . . . . 4198 1 236 . 1 1 59 59 ILE N N 15 120.434 0.1 . 1 . . . . . . . . 4198 1 237 . 1 1 60 60 ASP H H 1 8.374 0.02 . 1 . . . . . . . . 4198 1 238 . 1 1 60 60 ASP HA H 1 4.48 0.02 . 1 . . . . . . . . 4198 1 239 . 1 1 60 60 ASP HB2 H 1 2.76 0.02 . 2 . . . . . . . . 4198 1 240 . 1 1 60 60 ASP HB3 H 1 2.66 0.02 . 2 . . . . . . . . 4198 1 241 . 1 1 60 60 ASP C C 13 179.053 0.25 . 1 . . . . . . . . 4198 1 242 . 1 1 60 60 ASP CA C 13 57.35 0.25 . 1 . . . . . . . . 4198 1 243 . 1 1 60 60 ASP CB C 13 39.718 0.25 . 1 . . . . . . . . 4198 1 244 . 1 1 60 60 ASP N N 15 120.14 0.1 . 1 . . . . . . . . 4198 1 245 . 1 1 61 61 LYS H H 1 7.932 0.02 . 1 . . . . . . . . 4198 1 246 . 1 1 61 61 LYS HA H 1 4.19 0.02 . 1 . . . . . . . . 4198 1 247 . 1 1 61 61 LYS HB2 H 1 2.16 0.02 . 2 . . . . . . . . 4198 1 248 . 1 1 61 61 LYS HB3 H 1 2.07 0.02 . 2 . . . . . . . . 4198 1 249 . 1 1 61 61 LYS HG2 H 1 1.53 0.02 . 1 . . . . . . . . 4198 1 250 . 1 1 61 61 LYS HG3 H 1 1.53 0.02 . 1 . . . . . . . . 4198 1 251 . 1 1 61 61 LYS HD2 H 1 1.73 0.02 . 1 . . . . . . . . 4198 1 252 . 1 1 61 61 LYS HD3 H 1 1.73 0.02 . 1 . . . . . . . . 4198 1 253 . 1 1 61 61 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 4198 1 254 . 1 1 61 61 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 4198 1 255 . 1 1 61 61 LYS C C 13 178.973 0.25 . 1 . . . . . . . . 4198 1 256 . 1 1 61 61 LYS CA C 13 58.6 0.25 . 1 . . . . . . . . 4198 1 257 . 1 1 61 61 LYS CB C 13 31.774 0.25 . 1 . . . . . . . . 4198 1 258 . 1 1 61 61 LYS CG C 13 24.3 0.25 . 1 . . . . . . . . 4198 1 259 . 1 1 61 61 LYS CD C 13 28.7 0.25 . 1 . . . . . . . . 4198 1 260 . 1 1 61 61 LYS N N 15 121.955 0.1 . 1 . . . . . . . . 4198 1 261 . 1 1 62 62 ILE H H 1 8.379 0.02 . 1 . . . . . . . . 4198 1 262 . 1 1 62 62 ILE HA H 1 3.52 0.02 . 1 . . . . . . . . 4198 1 263 . 1 1 62 62 ILE HB H 1 2.16 0.02 . 1 . . . . . . . . 4198 1 264 . 1 1 62 62 ILE HG12 H 1 2.19 0.02 . 2 . . . . . . . . 4198 1 265 . 1 1 62 62 ILE HG13 H 1 0.86 0.02 . 2 . . . . . . . . 4198 1 266 . 1 1 62 62 ILE HG21 H 1 0.87 0.02 . 1 . . . . . . . . 4198 1 267 . 1 1 62 62 ILE HG22 H 1 0.87 0.02 . 1 . . . . . . . . 4198 1 268 . 1 1 62 62 ILE HG23 H 1 0.87 0.02 . 1 . . . . . . . . 4198 1 269 . 1 1 62 62 ILE HD11 H 1 0.93 0.02 . 1 . . . . . . . . 4198 1 270 . 1 1 62 62 ILE HD12 H 1 0.93 0.02 . 1 . . . . . . . . 4198 1 271 . 1 1 62 62 ILE HD13 H 1 0.93 0.02 . 1 . . . . . . . . 4198 1 272 . 1 1 62 62 ILE C C 13 177.695 0.25 . 1 . . . . . . . . 4198 1 273 . 1 1 62 62 ILE CA C 13 66.58 0.25 . 1 . . . . . . . . 4198 1 274 . 1 1 62 62 ILE CB C 13 37.74 0.25 . 1 . . . . . . . . 4198 1 275 . 1 1 62 62 ILE CG1 C 13 29.1 0.25 . 1 . . . . . . . . 4198 1 276 . 1 1 62 62 ILE CG2 C 13 18.86 0.25 . 1 . . . . . . . . 4198 1 277 . 1 1 62 62 ILE CD1 C 13 14 0.25 . 1 . . . . . . . . 4198 1 278 . 1 1 62 62 ILE N N 15 119.993 0.1 . 1 . . . . . . . . 4198 1 279 . 1 1 63 63 ALA H H 1 8.613 0.02 . 1 . . . . . . . . 4198 1 280 . 1 1 63 63 ALA HA H 1 3.92 0.02 . 1 . . . . . . . . 4198 1 281 . 1 1 63 63 ALA HB1 H 1 1.6 0.02 . 1 . . . . . . . . 4198 1 282 . 1 1 63 63 ALA HB2 H 1 1.6 0.02 . 1 . . . . . . . . 4198 1 283 . 1 1 63 63 ALA HB3 H 1 1.6 0.02 . 1 . . . . . . . . 4198 1 284 . 1 1 63 63 ALA C C 13 180.65 0.25 . 1 . . . . . . . . 4198 1 285 . 1 1 63 63 ALA CA C 13 55.806 0.25 . 1 . . . . . . . . 4198 1 286 . 1 1 63 63 ALA CB C 13 17.951 0.25 . 1 . . . . . . . . 4198 1 287 . 1 1 63 63 ALA N N 15 121.092 0.1 . 1 . . . . . . . . 4198 1 288 . 1 1 64 64 GLU H H 1 8.151 0.02 . 1 . . . . . . . . 4198 1 289 . 1 1 64 64 GLU HA H 1 4.09 0.02 . 1 . . . . . . . . 4198 1 290 . 1 1 64 64 GLU HB2 H 1 2.14 0.02 . 1 . . . . . . . . 4198 1 291 . 1 1 64 64 GLU HB3 H 1 2.14 0.02 . 1 . . . . . . . . 4198 1 292 . 1 1 64 64 GLU HG2 H 1 2.43 0.02 . 2 . . . . . . . . 4198 1 293 . 1 1 64 64 GLU HG3 H 1 2.24 0.02 . 2 . . . . . . . . 4198 1 294 . 1 1 64 64 GLU C C 13 179.5 0.25 . 1 . . . . . . . . 4198 1 295 . 1 1 64 64 GLU CA C 13 59.085 0.25 . 1 . . . . . . . . 4198 1 296 . 1 1 64 64 GLU CB C 13 29.494 0.25 . 1 . . . . . . . . 4198 1 297 . 1 1 64 64 GLU CG C 13 35.925 0.25 . 1 . . . . . . . . 4198 1 298 . 1 1 64 64 GLU N N 15 119.259 0.1 . 1 . . . . . . . . 4198 1 299 . 1 1 65 65 ASN H H 1 8.493 0.02 . 1 . . . . . . . . 4198 1 300 . 1 1 65 65 ASN HA H 1 4.59 0.02 . 1 . . . . . . . . 4198 1 301 . 1 1 65 65 ASN HB2 H 1 2.96 0.02 . 2 . . . . . . . . 4198 1 302 . 1 1 65 65 ASN HB3 H 1 2.44 0.02 . 2 . . . . . . . . 4198 1 303 . 1 1 65 65 ASN HD21 H 1 7.15 0.02 . 2 . . . . . . . . 4198 1 304 . 1 1 65 65 ASN HD22 H 1 6.69 0.02 . 2 . . . . . . . . 4198 1 305 . 1 1 65 65 ASN C C 13 177.739 0.25 . 1 . . . . . . . . 4198 1 306 . 1 1 65 65 ASN CA C 13 55.42 0.25 . 1 . . . . . . . . 4198 1 307 . 1 1 65 65 ASN CB C 13 38.253 0.25 . 1 . . . . . . . . 4198 1 308 . 1 1 65 65 ASN N N 15 120.14 0.1 . 1 . . . . . . . . 4198 1 309 . 1 1 65 65 ASN ND2 N 15 111.59 0.1 . 1 . . . . . . . . 4198 1 310 . 1 1 66 66 VAL H H 1 9.244 0.02 . 1 . . . . . . . . 4198 1 311 . 1 1 66 66 VAL HA H 1 3.46 0.02 . 1 . . . . . . . . 4198 1 312 . 1 1 66 66 VAL HB H 1 2.35 0.02 . 1 . . . . . . . . 4198 1 313 . 1 1 66 66 VAL HG11 H 1 1.05 0.02 . 2 . . . . . . . . 4198 1 314 . 1 1 66 66 VAL HG12 H 1 1.05 0.02 . 2 . . . . . . . . 4198 1 315 . 1 1 66 66 VAL HG13 H 1 1.05 0.02 . 2 . . . . . . . . 4198 1 316 . 1 1 66 66 VAL HG21 H 1 0.97 0.02 . 2 . . . . . . . . 4198 1 317 . 1 1 66 66 VAL HG22 H 1 0.97 0.02 . 2 . . . . . . . . 4198 1 318 . 1 1 66 66 VAL HG23 H 1 0.97 0.02 . 2 . . . . . . . . 4198 1 319 . 1 1 66 66 VAL C C 13 177.607 0.25 . 1 . . . . . . . . 4198 1 320 . 1 1 66 66 VAL CA C 13 67.309 0.25 . 1 . . . . . . . . 4198 1 321 . 1 1 66 66 VAL CB C 13 31.142 0.25 . 1 . . . . . . . . 4198 1 322 . 1 1 66 66 VAL CG1 C 13 24.574 0.25 . 1 . . . . . . . . 4198 1 323 . 1 1 66 66 VAL CG2 C 13 21.65 0.25 . 1 . . . . . . . . 4198 1 324 . 1 1 66 66 VAL N N 15 123.193 0.1 . 1 . . . . . . . . 4198 1 325 . 1 1 67 67 GLU H H 1 7.629 0.02 . 1 . . . . . . . . 4198 1 326 . 1 1 67 67 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 4198 1 327 . 1 1 67 67 GLU HB2 H 1 2.22 0.02 . 1 . . . . . . . . 4198 1 328 . 1 1 67 67 GLU HB3 H 1 2.22 0.02 . 1 . . . . . . . . 4198 1 329 . 1 1 67 67 GLU HG2 H 1 2.41 0.02 . 1 . . . . . . . . 4198 1 330 . 1 1 67 67 GLU HG3 H 1 2.41 0.02 . 1 . . . . . . . . 4198 1 331 . 1 1 67 67 GLU C C 13 179.354 0.25 . 1 . . . . . . . . 4198 1 332 . 1 1 67 67 GLU CA C 13 59.1 0.25 . 1 . . . . . . . . 4198 1 333 . 1 1 67 67 GLU CB C 13 29.085 0.25 . 1 . . . . . . . . 4198 1 334 . 1 1 67 67 GLU CG C 13 36.111 0.25 . 1 . . . . . . . . 4198 1 335 . 1 1 67 67 GLU N N 15 118.672 0.1 . 1 . . . . . . . . 4198 1 336 . 1 1 68 68 GLU H H 1 7.739 0.02 . 1 . . . . . . . . 4198 1 337 . 1 1 68 68 GLU HA H 1 4.18 0.02 . 1 . . . . . . . . 4198 1 338 . 1 1 68 68 GLU HB2 H 1 2.28 0.02 . 2 . . . . . . . . 4198 1 339 . 1 1 68 68 GLU HB3 H 1 2.19 0.02 . 2 . . . . . . . . 4198 1 340 . 1 1 68 68 GLU HG2 H 1 2.37 0.02 . 2 . . . . . . . . 4198 1 341 . 1 1 68 68 GLU HG3 H 1 2.24 0.02 . 2 . . . . . . . . 4198 1 342 . 1 1 68 68 GLU C C 13 178.714 0.25 . 1 . . . . . . . . 4198 1 343 . 1 1 68 68 GLU CA C 13 58.819 0.25 . 1 . . . . . . . . 4198 1 344 . 1 1 68 68 GLU CB C 13 29.177 0.25 . 1 . . . . . . . . 4198 1 345 . 1 1 68 68 GLU CG C 13 35.962 0.25 . 1 . . . . . . . . 4198 1 346 . 1 1 68 68 GLU N N 15 120.287 0.1 . 1 . . . . . . . . 4198 1 347 . 1 1 69 69 VAL H H 1 8.714 0.02 . 1 . . . . . . . . 4198 1 348 . 1 1 69 69 VAL HA H 1 3.25 0.02 . 1 . . . . . . . . 4198 1 349 . 1 1 69 69 VAL HB H 1 2.41 0.02 . 1 . . . . . . . . 4198 1 350 . 1 1 69 69 VAL HG11 H 1 1.02 0.02 . 2 . . . . . . . . 4198 1 351 . 1 1 69 69 VAL HG12 H 1 1.02 0.02 . 2 . . . . . . . . 4198 1 352 . 1 1 69 69 VAL HG13 H 1 1.02 0.02 . 2 . . . . . . . . 4198 1 353 . 1 1 69 69 VAL HG21 H 1 0.6 0.02 . 2 . . . . . . . . 4198 1 354 . 1 1 69 69 VAL HG22 H 1 0.6 0.02 . 2 . . . . . . . . 4198 1 355 . 1 1 69 69 VAL HG23 H 1 0.6 0.02 . 2 . . . . . . . . 4198 1 356 . 1 1 69 69 VAL C C 13 177.29 0.25 . 1 . . . . . . . . 4198 1 357 . 1 1 69 69 VAL CA C 13 66.95 0.25 . 1 . . . . . . . . 4198 1 358 . 1 1 69 69 VAL CB C 13 30.86 0.25 . 1 . . . . . . . . 4198 1 359 . 1 1 69 69 VAL CG1 C 13 25.084 0.25 . 1 . . . . . . . . 4198 1 360 . 1 1 69 69 VAL CG2 C 13 21.11 0.25 . 1 . . . . . . . . 4198 1 361 . 1 1 69 69 VAL N N 15 122.334 0.1 . 1 . . . . . . . . 4198 1 362 . 1 1 70 70 LYS H H 1 8.07 0.02 . 1 . . . . . . . . 4198 1 363 . 1 1 70 70 LYS HA H 1 3.93 0.02 . 1 . . . . . . . . 4198 1 364 . 1 1 70 70 LYS HB2 H 1 2.03 0.02 . 2 . . . . . . . . 4198 1 365 . 1 1 70 70 LYS HB3 H 1 1.97 0.02 . 2 . . . . . . . . 4198 1 366 . 1 1 70 70 LYS HG2 H 1 1.71 0.02 . 1 . . . . . . . . 4198 1 367 . 1 1 70 70 LYS HG3 H 1 1.71 0.02 . 1 . . . . . . . . 4198 1 368 . 1 1 70 70 LYS HD2 H 1 1.72 0.02 . 1 . . . . . . . . 4198 1 369 . 1 1 70 70 LYS HD3 H 1 1.72 0.02 . 1 . . . . . . . . 4198 1 370 . 1 1 70 70 LYS HE2 H 1 2.92 0.02 . 2 . . . . . . . . 4198 1 371 . 1 1 70 70 LYS HE3 H 1 2.81 0.02 . 2 . . . . . . . . 4198 1 372 . 1 1 70 70 LYS C C 13 180.058 0.25 . 1 . . . . . . . . 4198 1 373 . 1 1 70 70 LYS CA C 13 60.344 0.25 . 1 . . . . . . . . 4198 1 374 . 1 1 70 70 LYS CB C 13 32.498 0.25 . 1 . . . . . . . . 4198 1 375 . 1 1 70 70 LYS CG C 13 26.03 0.25 . 1 . . . . . . . . 4198 1 376 . 1 1 70 70 LYS CD C 13 30.2 0.25 . 1 . . . . . . . . 4198 1 377 . 1 1 70 70 LYS CE C 13 41.9 0.25 . 1 . . . . . . . . 4198 1 378 . 1 1 70 70 LYS N N 15 118.231 0.1 . 1 . . . . . . . . 4198 1 379 . 1 1 71 71 ARG H H 1 7.723 0.02 . 1 . . . . . . . . 4198 1 380 . 1 1 71 71 ARG HA H 1 4.08 0.02 . 1 . . . . . . . . 4198 1 381 . 1 1 71 71 ARG HB2 H 1 2.05 0.02 . 1 . . . . . . . . 4198 1 382 . 1 1 71 71 ARG HB3 H 1 2.05 0.02 . 1 . . . . . . . . 4198 1 383 . 1 1 71 71 ARG HG2 H 1 1.86 0.02 . 2 . . . . . . . . 4198 1 384 . 1 1 71 71 ARG HG3 H 1 1.6 0.02 . 2 . . . . . . . . 4198 1 385 . 1 1 71 71 ARG HD2 H 1 3.2 0.02 . 1 . . . . . . . . 4198 1 386 . 1 1 71 71 ARG HD3 H 1 3.2 0.02 . 1 . . . . . . . . 4198 1 387 . 1 1 71 71 ARG C C 13 179.948 0.25 . 1 . . . . . . . . 4198 1 388 . 1 1 71 71 ARG CA C 13 59.66 0.25 . 1 . . . . . . . . 4198 1 389 . 1 1 71 71 ARG CB C 13 30.47 0.25 . 1 . . . . . . . . 4198 1 390 . 1 1 71 71 ARG CG C 13 28.23 0.25 . 1 . . . . . . . . 4198 1 391 . 1 1 71 71 ARG CD C 13 43.52 0.25 . 1 . . . . . . . . 4198 1 392 . 1 1 71 71 ARG N N 15 119.406 0.1 . 1 . . . . . . . . 4198 1 393 . 1 1 72 72 LYS H H 1 8.603 0.02 . 1 . . . . . . . . 4198 1 394 . 1 1 72 72 LYS HA H 1 4.1 0.02 . 1 . . . . . . . . 4198 1 395 . 1 1 72 72 LYS HB2 H 1 2 0.02 . 2 . . . . . . . . 4198 1 396 . 1 1 72 72 LYS HB3 H 1 1.88 0.02 . 2 . . . . . . . . 4198 1 397 . 1 1 72 72 LYS HG2 H 1 1.59 0.02 . 2 . . . . . . . . 4198 1 398 . 1 1 72 72 LYS HG3 H 1 1.53 0.02 . 2 . . . . . . . . 4198 1 399 . 1 1 72 72 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 4198 1 400 . 1 1 72 72 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 4198 1 401 . 1 1 72 72 LYS C C 13 178.626 0.25 . 1 . . . . . . . . 4198 1 402 . 1 1 72 72 LYS CA C 13 58.903 0.25 . 1 . . . . . . . . 4198 1 403 . 1 1 72 72 LYS CB C 13 32.465 0.25 . 1 . . . . . . . . 4198 1 404 . 1 1 72 72 LYS CG C 13 26 0.25 . 1 . . . . . . . . 4198 1 405 . 1 1 72 72 LYS N N 15 121.227 0.1 . 1 . . . . . . . . 4198 1 406 . 1 1 73 73 HIS H H 1 9.054 0.02 . 1 . . . . . . . . 4198 1 407 . 1 1 73 73 HIS HA H 1 4.2 0.02 . 1 . . . . . . . . 4198 1 408 . 1 1 73 73 HIS HB2 H 1 3.27 0.02 . 2 . . . . . . . . 4198 1 409 . 1 1 73 73 HIS HB3 H 1 3.04 0.02 . 2 . . . . . . . . 4198 1 410 . 1 1 73 73 HIS HD1 H 1 6.35 0.02 . 1 . . . . . . . . 4198 1 411 . 1 1 73 73 HIS HE1 H 1 7.63 0.02 . 1 . . . . . . . . 4198 1 412 . 1 1 73 73 HIS C C 13 177.48 0.25 . 1 . . . . . . . . 4198 1 413 . 1 1 73 73 HIS CA C 13 58.4 0.25 . 1 . . . . . . . . 4198 1 414 . 1 1 73 73 HIS CB C 13 30.2 0.25 . 1 . . . . . . . . 4198 1 415 . 1 1 73 73 HIS CE1 C 13 137.11 0.25 . 1 . . . . . . . . 4198 1 416 . 1 1 73 73 HIS N N 15 118.378 0.1 . 1 . . . . . . . . 4198 1 417 . 1 1 74 74 SER H H 1 7.97 0.02 . 1 . . . . . . . . 4198 1 418 . 1 1 74 74 SER HA H 1 4.05 0.02 . 1 . . . . . . . . 4198 1 419 . 1 1 74 74 SER HB2 H 1 3.95 0.02 . 1 . . . . . . . . 4198 1 420 . 1 1 74 74 SER HB3 H 1 3.95 0.02 . 1 . . . . . . . . 4198 1 421 . 1 1 74 74 SER C C 13 176.537 0.25 . 1 . . . . . . . . 4198 1 422 . 1 1 74 74 SER CA C 13 61.859 0.25 . 1 . . . . . . . . 4198 1 423 . 1 1 74 74 SER CB C 13 62.5 0.25 . 1 . . . . . . . . 4198 1 424 . 1 1 74 74 SER N N 15 112.65 0.1 . 1 . . . . . . . . 4198 1 425 . 1 1 75 75 ALA H H 1 7.782 0.02 . 1 . . . . . . . . 4198 1 426 . 1 1 75 75 ALA HA H 1 4.19 0.02 . 1 . . . . . . . . 4198 1 427 . 1 1 75 75 ALA HB1 H 1 1.55 0.02 . 1 . . . . . . . . 4198 1 428 . 1 1 75 75 ALA HB2 H 1 1.55 0.02 . 1 . . . . . . . . 4198 1 429 . 1 1 75 75 ALA HB3 H 1 1.55 0.02 . 1 . . . . . . . . 4198 1 430 . 1 1 75 75 ALA C C 13 180.689 0.25 . 1 . . . . . . . . 4198 1 431 . 1 1 75 75 ALA CA C 13 54.785 0.25 . 1 . . . . . . . . 4198 1 432 . 1 1 75 75 ALA CB C 13 18.305 0.25 . 1 . . . . . . . . 4198 1 433 . 1 1 75 75 ALA N N 15 123.758 0.1 . 1 . . . . . . . . 4198 1 434 . 1 1 76 76 ILE H H 1 8.286 0.02 . 1 . . . . . . . . 4198 1 435 . 1 1 76 76 ILE HA H 1 3.79 0.02 . 1 . . . . . . . . 4198 1 436 . 1 1 76 76 ILE HB H 1 2.03 0.02 . 1 . . . . . . . . 4198 1 437 . 1 1 76 76 ILE HG12 H 1 1.87 0.02 . 2 . . . . . . . . 4198 1 438 . 1 1 76 76 ILE HG13 H 1 1.08 0.02 . 2 . . . . . . . . 4198 1 439 . 1 1 76 76 ILE HG21 H 1 1.02 0.02 . 1 . . . . . . . . 4198 1 440 . 1 1 76 76 ILE HG22 H 1 1.02 0.02 . 1 . . . . . . . . 4198 1 441 . 1 1 76 76 ILE HG23 H 1 1.02 0.02 . 1 . . . . . . . . 4198 1 442 . 1 1 76 76 ILE HD11 H 1 0.81 0.02 . 1 . . . . . . . . 4198 1 443 . 1 1 76 76 ILE HD12 H 1 0.81 0.02 . 1 . . . . . . . . 4198 1 444 . 1 1 76 76 ILE HD13 H 1 0.81 0.02 . 1 . . . . . . . . 4198 1 445 . 1 1 76 76 ILE C C 13 178.413 0.25 . 1 . . . . . . . . 4198 1 446 . 1 1 76 76 ILE CA C 13 64.83 0.25 . 1 . . . . . . . . 4198 1 447 . 1 1 76 76 ILE CB C 13 38.37 0.25 . 1 . . . . . . . . 4198 1 448 . 1 1 76 76 ILE CG1 C 13 29.6 0.25 . 1 . . . . . . . . 4198 1 449 . 1 1 76 76 ILE CG2 C 13 17.66 0.25 . 1 . . . . . . . . 4198 1 450 . 1 1 76 76 ILE CD1 C 13 14.42 0.25 . 1 . . . . . . . . 4198 1 451 . 1 1 76 76 ILE N N 15 119.846 0.1 . 1 . . . . . . . . 4198 1 452 . 1 1 77 77 LEU H H 1 8.005 0.02 . 1 . . . . . . . . 4198 1 453 . 1 1 77 77 LEU HA H 1 4.136 0.02 . 1 . . . . . . . . 4198 1 454 . 1 1 77 77 LEU HB2 H 1 1.77 0.02 . 2 . . . . . . . . 4198 1 455 . 1 1 77 77 LEU HB3 H 1 1.46 0.02 . 2 . . . . . . . . 4198 1 456 . 1 1 77 77 LEU HG H 1 1.78 0.02 . 1 . . . . . . . . 4198 1 457 . 1 1 77 77 LEU HD11 H 1 0.79 0.02 . 1 . . . . . . . . 4198 1 458 . 1 1 77 77 LEU HD12 H 1 0.79 0.02 . 1 . . . . . . . . 4198 1 459 . 1 1 77 77 LEU HD13 H 1 0.79 0.02 . 1 . . . . . . . . 4198 1 460 . 1 1 77 77 LEU HD21 H 1 0.79 0.02 . 1 . . . . . . . . 4198 1 461 . 1 1 77 77 LEU HD22 H 1 0.79 0.02 . 1 . . . . . . . . 4198 1 462 . 1 1 77 77 LEU HD23 H 1 0.79 0.02 . 1 . . . . . . . . 4198 1 463 . 1 1 77 77 LEU C C 13 178.228 0.25 . 1 . . . . . . . . 4198 1 464 . 1 1 77 77 LEU CA C 13 56.623 0.25 . 1 . . . . . . . . 4198 1 465 . 1 1 77 77 LEU CB C 13 41.657 0.25 . 1 . . . . . . . . 4198 1 466 . 1 1 77 77 LEU CD1 C 13 25.45 0.25 . 1 . . . . . . . . 4198 1 467 . 1 1 77 77 LEU CD2 C 13 22.51 0.25 . 1 . . . . . . . . 4198 1 468 . 1 1 77 77 LEU N N 15 118.525 0.1 . 1 . . . . . . . . 4198 1 469 . 1 1 78 78 ALA H H 1 7.439 0.02 . 1 . . . . . . . . 4198 1 470 . 1 1 78 78 ALA HA H 1 4.3 0.02 . 1 . . . . . . . . 4198 1 471 . 1 1 78 78 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 4198 1 472 . 1 1 78 78 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 4198 1 473 . 1 1 78 78 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 4198 1 474 . 1 1 78 78 ALA C C 13 177.44 0.25 . 1 . . . . . . . . 4198 1 475 . 1 1 78 78 ALA CA C 13 52.501 0.25 . 1 . . . . . . . . 4198 1 476 . 1 1 78 78 ALA CB C 13 19.37 0.25 . 1 . . . . . . . . 4198 1 477 . 1 1 78 78 ALA N N 15 118.819 0.1 . 1 . . . . . . . . 4198 1 478 . 1 1 79 79 SER H H 1 7.36 0.02 . 1 . . . . . . . . 4198 1 479 . 1 1 79 79 SER HA H 1 4.87 0.02 . 1 . . . . . . . . 4198 1 480 . 1 1 79 79 SER HB2 H 1 3.97 0.02 . 2 . . . . . . . . 4198 1 481 . 1 1 79 79 SER HB3 H 1 3.81 0.02 . 2 . . . . . . . . 4198 1 482 . 1 1 79 79 SER C C 13 173.3 0.25 . 1 . . . . . . . . 4198 1 483 . 1 1 79 79 SER CA C 13 55.12 0.25 . 1 . . . . . . . . 4198 1 484 . 1 1 79 79 SER CB C 13 64.35 0.25 . 1 . . . . . . . . 4198 1 485 . 1 1 79 79 SER N N 15 113.97 0.1 . 1 . . . . . . . . 4198 1 486 . 1 1 80 80 PRO HA H 1 4.47 0.02 . 1 . . . . . . . . 4198 1 487 . 1 1 80 80 PRO HB2 H 1 2.25 0.02 . 2 . . . . . . . . 4198 1 488 . 1 1 80 80 PRO HB3 H 1 1.94 0.02 . 2 . . . . . . . . 4198 1 489 . 1 1 80 80 PRO HG2 H 1 2.01 0.02 . 1 . . . . . . . . 4198 1 490 . 1 1 80 80 PRO HG3 H 1 2.01 0.02 . 1 . . . . . . . . 4198 1 491 . 1 1 80 80 PRO HD2 H 1 3.87 0.02 . 2 . . . . . . . . 4198 1 492 . 1 1 80 80 PRO HD3 H 1 3.72 0.02 . 2 . . . . . . . . 4198 1 493 . 1 1 80 80 PRO C C 13 176.4 0.25 . 1 . . . . . . . . 4198 1 494 . 1 1 80 80 PRO CA C 13 63.58 0.25 . 1 . . . . . . . . 4198 1 495 . 1 1 80 80 PRO CB C 13 31.89 0.25 . 1 . . . . . . . . 4198 1 496 . 1 1 80 80 PRO CG C 13 27 0.25 . 1 . . . . . . . . 4198 1 497 . 1 1 80 80 PRO CD C 13 50.51 0.25 . 1 . . . . . . . . 4198 1 498 . 1 1 81 81 ASN H H 1 7.87 0.02 . 1 . . . . . . . . 4198 1 499 . 1 1 81 81 ASN HA H 1 5.13 0.02 . 1 . . . . . . . . 4198 1 500 . 1 1 81 81 ASN HB2 H 1 2.72 0.02 . 2 . . . . . . . . 4198 1 501 . 1 1 81 81 ASN HB3 H 1 2.59 0.02 . 2 . . . . . . . . 4198 1 502 . 1 1 81 81 ASN HD21 H 1 7.56 0.02 . 2 . . . . . . . . 4198 1 503 . 1 1 81 81 ASN HD22 H 1 6.86 0.02 . 2 . . . . . . . . 4198 1 504 . 1 1 81 81 ASN C C 13 171.6 0.25 . 1 . . . . . . . . 4198 1 505 . 1 1 81 81 ASN CA C 13 50.74 0.25 . 1 . . . . . . . . 4198 1 506 . 1 1 81 81 ASN CB C 13 39.17 0.25 . 1 . . . . . . . . 4198 1 507 . 1 1 81 81 ASN N N 15 115 0.1 . 1 . . . . . . . . 4198 1 508 . 1 1 81 81 ASN ND2 N 15 116.44 0.1 . 1 . . . . . . . . 4198 1 509 . 1 1 82 82 PRO HA H 1 4.37 0.02 . 1 . . . . . . . . 4198 1 510 . 1 1 82 82 PRO HB2 H 1 2.32 0.02 . 2 . . . . . . . . 4198 1 511 . 1 1 82 82 PRO HB3 H 1 1.86 0.02 . 2 . . . . . . . . 4198 1 512 . 1 1 82 82 PRO HG2 H 1 2.13 0.02 . 2 . . . . . . . . 4198 1 513 . 1 1 82 82 PRO HG3 H 1 2.07 0.02 . 2 . . . . . . . . 4198 1 514 . 1 1 82 82 PRO HD2 H 1 3.67 0.02 . 1 . . . . . . . . 4198 1 515 . 1 1 82 82 PRO HD3 H 1 3.67 0.02 . 1 . . . . . . . . 4198 1 516 . 1 1 82 82 PRO C C 13 176.2 0.25 . 1 . . . . . . . . 4198 1 517 . 1 1 82 82 PRO CA C 13 63.18 0.25 . 1 . . . . . . . . 4198 1 518 . 1 1 82 82 PRO CB C 13 32.21 0.25 . 1 . . . . . . . . 4198 1 519 . 1 1 82 82 PRO CG C 13 27.33 0.25 . 1 . . . . . . . . 4198 1 520 . 1 1 82 82 PRO CD C 13 50.28 0.25 . 1 . . . . . . . . 4198 1 521 . 1 1 83 83 ASP H H 1 8.443 0.02 . 1 . . . . . . . . 4198 1 522 . 1 1 83 83 ASP HA H 1 4.63 0.02 . 1 . . . . . . . . 4198 1 523 . 1 1 83 83 ASP HB2 H 1 2.8 0.02 . 2 . . . . . . . . 4198 1 524 . 1 1 83 83 ASP HB3 H 1 2.76 0.02 . 2 . . . . . . . . 4198 1 525 . 1 1 83 83 ASP C C 13 176.395 0.25 . 1 . . . . . . . . 4198 1 526 . 1 1 83 83 ASP CA C 13 53.38 0.25 . 1 . . . . . . . . 4198 1 527 . 1 1 83 83 ASP CB C 13 41.858 0.25 . 1 . . . . . . . . 4198 1 528 . 1 1 83 83 ASP N N 15 122.638 0.1 . 1 . . . . . . . . 4198 1 529 . 1 1 84 84 GLU H H 1 8.765 0.02 . 1 . . . . . . . . 4198 1 530 . 1 1 84 84 GLU HA H 1 3.96 0.02 . 1 . . . . . . . . 4198 1 531 . 1 1 84 84 GLU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 4198 1 532 . 1 1 84 84 GLU HB3 H 1 1.99 0.02 . 2 . . . . . . . . 4198 1 533 . 1 1 84 84 GLU HG2 H 1 2.36 0.02 . 1 . . . . . . . . 4198 1 534 . 1 1 84 84 GLU HG3 H 1 2.36 0.02 . 1 . . . . . . . . 4198 1 535 . 1 1 84 84 GLU C C 13 178.642 0.25 . 1 . . . . . . . . 4198 1 536 . 1 1 84 84 GLU CA C 13 59.146 0.25 . 1 . . . . . . . . 4198 1 537 . 1 1 84 84 GLU CB C 13 29.382 0.25 . 1 . . . . . . . . 4198 1 538 . 1 1 84 84 GLU CG C 13 36.014 0.25 . 1 . . . . . . . . 4198 1 539 . 1 1 84 84 GLU N N 15 124.132 0.1 . 1 . . . . . . . . 4198 1 540 . 1 1 85 85 LYS H H 1 8.429 0.02 . 1 . . . . . . . . 4198 1 541 . 1 1 85 85 LYS HA H 1 4.13 0.02 . 1 . . . . . . . . 4198 1 542 . 1 1 85 85 LYS HB2 H 1 1.87 0.02 . 1 . . . . . . . . 4198 1 543 . 1 1 85 85 LYS HB3 H 1 1.87 0.02 . 1 . . . . . . . . 4198 1 544 . 1 1 85 85 LYS HG2 H 1 1.45 0.02 . 2 . . . . . . . . 4198 1 545 . 1 1 85 85 LYS HG3 H 1 1.41 0.02 . 2 . . . . . . . . 4198 1 546 . 1 1 85 85 LYS HD2 H 1 1.68 0.02 . 1 . . . . . . . . 4198 1 547 . 1 1 85 85 LYS HD3 H 1 1.68 0.02 . 1 . . . . . . . . 4198 1 548 . 1 1 85 85 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 4198 1 549 . 1 1 85 85 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 4198 1 550 . 1 1 85 85 LYS C C 13 178.53 0.25 . 1 . . . . . . . . 4198 1 551 . 1 1 85 85 LYS CA C 13 58.676 0.25 . 1 . . . . . . . . 4198 1 552 . 1 1 85 85 LYS CB C 13 31.72 0.25 . 1 . . . . . . . . 4198 1 553 . 1 1 85 85 LYS CG C 13 24.44 0.25 . 1 . . . . . . . . 4198 1 554 . 1 1 85 85 LYS CD C 13 28.9 0.25 . 1 . . . . . . . . 4198 1 555 . 1 1 85 85 LYS N N 15 120.287 0.1 . 1 . . . . . . . . 4198 1 556 . 1 1 86 86 THR H H 1 7.84 0.02 . 1 . . . . . . . . 4198 1 557 . 1 1 86 86 THR HA H 1 4 0.02 . 1 . . . . . . . . 4198 1 558 . 1 1 86 86 THR HB H 1 4.05 0.02 . 1 . . . . . . . . 4198 1 559 . 1 1 86 86 THR HG21 H 1 1.28 0.02 . 1 . . . . . . . . 4198 1 560 . 1 1 86 86 THR HG22 H 1 1.28 0.02 . 1 . . . . . . . . 4198 1 561 . 1 1 86 86 THR HG23 H 1 1.28 0.02 . 1 . . . . . . . . 4198 1 562 . 1 1 86 86 THR C C 13 176.626 0.25 . 1 . . . . . . . . 4198 1 563 . 1 1 86 86 THR CA C 13 66.3 0.25 . 1 . . . . . . . . 4198 1 564 . 1 1 86 86 THR CB C 13 67.7 0.25 . 1 . . . . . . . . 4198 1 565 . 1 1 86 86 THR CG2 C 13 22.68 0.25 . 1 . . . . . . . . 4198 1 566 . 1 1 86 86 THR N N 15 116.61 0.1 . 1 . . . . . . . . 4198 1 567 . 1 1 87 87 LYS H H 1 7.564 0.02 . 1 . . . . . . . . 4198 1 568 . 1 1 87 87 LYS HA H 1 3.91 0.02 . 1 . . . . . . . . 4198 1 569 . 1 1 87 87 LYS HB2 H 1 1.96 0.02 . 1 . . . . . . . . 4198 1 570 . 1 1 87 87 LYS HB3 H 1 1.96 0.02 . 1 . . . . . . . . 4198 1 571 . 1 1 87 87 LYS HG2 H 1 1.62 0.02 . 2 . . . . . . . . 4198 1 572 . 1 1 87 87 LYS HG3 H 1 1.42 0.02 . 2 . . . . . . . . 4198 1 573 . 1 1 87 87 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 4198 1 574 . 1 1 87 87 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 4198 1 575 . 1 1 87 87 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 4198 1 576 . 1 1 87 87 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 4198 1 577 . 1 1 87 87 LYS C C 13 178.725 0.25 . 1 . . . . . . . . 4198 1 578 . 1 1 87 87 LYS CA C 13 60.211 0.25 . 1 . . . . . . . . 4198 1 579 . 1 1 87 87 LYS CB C 13 31.9 0.25 . 1 . . . . . . . . 4198 1 580 . 1 1 87 87 LYS CG C 13 25.7 0.25 . 1 . . . . . . . . 4198 1 581 . 1 1 87 87 LYS CD C 13 29.4 0.25 . 1 . . . . . . . . 4198 1 582 . 1 1 87 87 LYS N N 15 120.527 0.1 . 1 . . . . . . . . 4198 1 583 . 1 1 88 88 GLU H H 1 8.146 0.02 . 1 . . . . . . . . 4198 1 584 . 1 1 88 88 GLU HA H 1 4.08 0.02 . 1 . . . . . . . . 4198 1 585 . 1 1 88 88 GLU HB2 H 1 2.24 0.02 . 2 . . . . . . . . 4198 1 586 . 1 1 88 88 GLU HB3 H 1 2.12 0.02 . 2 . . . . . . . . 4198 1 587 . 1 1 88 88 GLU HG2 H 1 2.44 0.02 . 2 . . . . . . . . 4198 1 588 . 1 1 88 88 GLU HG3 H 1 2.28 0.02 . 2 . . . . . . . . 4198 1 589 . 1 1 88 88 GLU C C 13 179.445 0.25 . 1 . . . . . . . . 4198 1 590 . 1 1 88 88 GLU CA C 13 59.086 0.25 . 1 . . . . . . . . 4198 1 591 . 1 1 88 88 GLU CB C 13 29.139 0.25 . 1 . . . . . . . . 4198 1 592 . 1 1 88 88 GLU CG C 13 36.091 0.25 . 1 . . . . . . . . 4198 1 593 . 1 1 88 88 GLU N N 15 120.867 0.1 . 1 . . . . . . . . 4198 1 594 . 1 1 89 89 GLU H H 1 8.35 0.02 . 1 . . . . . . . . 4198 1 595 . 1 1 89 89 GLU HA H 1 4.02 0.02 . 1 . . . . . . . . 4198 1 596 . 1 1 89 89 GLU HB2 H 1 2.53 0.02 . 1 . . . . . . . . 4198 1 597 . 1 1 89 89 GLU HB3 H 1 2.53 0.02 . 1 . . . . . . . . 4198 1 598 . 1 1 89 89 GLU HG2 H 1 2.34 0.02 . 2 . . . . . . . . 4198 1 599 . 1 1 89 89 GLU HG3 H 1 2.22 0.02 . 2 . . . . . . . . 4198 1 600 . 1 1 89 89 GLU C C 13 179.987 0.25 . 1 . . . . . . . . 4198 1 601 . 1 1 89 89 GLU CA C 13 58.7 0.25 . 1 . . . . . . . . 4198 1 602 . 1 1 89 89 GLU CB C 13 29.716 0.25 . 1 . . . . . . . . 4198 1 603 . 1 1 89 89 GLU CG C 13 36.2 0.25 . 1 . . . . . . . . 4198 1 604 . 1 1 89 89 GLU N N 15 119.993 0.1 . 1 . . . . . . . . 4198 1 605 . 1 1 90 90 LEU H H 1 8.148 0.02 . 1 . . . . . . . . 4198 1 606 . 1 1 90 90 LEU HA H 1 4.03 0.02 . 1 . . . . . . . . 4198 1 607 . 1 1 90 90 LEU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 4198 1 608 . 1 1 90 90 LEU HB3 H 1 1.53 0.02 . 2 . . . . . . . . 4198 1 609 . 1 1 90 90 LEU HG H 1 1.64 0.02 . 1 . . . . . . . . 4198 1 610 . 1 1 90 90 LEU HD11 H 1 0.88 0.02 . 2 . . . . . . . . 4198 1 611 . 1 1 90 90 LEU HD12 H 1 0.88 0.02 . 2 . . . . . . . . 4198 1 612 . 1 1 90 90 LEU HD13 H 1 0.88 0.02 . 2 . . . . . . . . 4198 1 613 . 1 1 90 90 LEU HD21 H 1 0.84 0.02 . 2 . . . . . . . . 4198 1 614 . 1 1 90 90 LEU HD22 H 1 0.84 0.02 . 2 . . . . . . . . 4198 1 615 . 1 1 90 90 LEU HD23 H 1 0.84 0.02 . 2 . . . . . . . . 4198 1 616 . 1 1 90 90 LEU C C 13 177.8 0.25 . 1 . . . . . . . . 4198 1 617 . 1 1 90 90 LEU CA C 13 58.3 0.25 . 1 . . . . . . . . 4198 1 618 . 1 1 90 90 LEU CB C 13 45.2 0.25 . 1 . . . . . . . . 4198 1 619 . 1 1 90 90 LEU CD1 C 13 24.8 0.25 . 2 . . . . . . . . 4198 1 620 . 1 1 90 90 LEU CD2 C 13 26 0.25 . 2 . . . . . . . . 4198 1 621 . 1 1 90 90 LEU N N 15 120.581 0.1 . 1 . . . . . . . . 4198 1 622 . 1 1 91 91 GLU H H 1 8 0.02 . 1 . . . . . . . . 4198 1 623 . 1 1 91 91 GLU HA H 1 4.02 0.02 . 1 . . . . . . . . 4198 1 624 . 1 1 91 91 GLU HB2 H 1 2.13 0.02 . 1 . . . . . . . . 4198 1 625 . 1 1 91 91 GLU HB3 H 1 2.13 0.02 . 1 . . . . . . . . 4198 1 626 . 1 1 91 91 GLU HG2 H 1 2.43 0.02 . 2 . . . . . . . . 4198 1 627 . 1 1 91 91 GLU HG3 H 1 2.33 0.02 . 2 . . . . . . . . 4198 1 628 . 1 1 91 91 GLU C C 13 179.699 0.25 . 1 . . . . . . . . 4198 1 629 . 1 1 91 91 GLU CA C 13 59.303 0.25 . 1 . . . . . . . . 4198 1 630 . 1 1 91 91 GLU CB C 13 28.9 0.25 . 1 . . . . . . . . 4198 1 631 . 1 1 91 91 GLU CG C 13 35.91 0.25 . 1 . . . . . . . . 4198 1 632 . 1 1 91 91 GLU N N 15 118.97 0.1 . 1 . . . . . . . . 4198 1 633 . 1 1 92 92 GLU H H 1 8.112 0.02 . 1 . . . . . . . . 4198 1 634 . 1 1 92 92 GLU HA H 1 4.1 0.02 . 1 . . . . . . . . 4198 1 635 . 1 1 92 92 GLU HB2 H 1 2.1 0.02 . 1 . . . . . . . . 4198 1 636 . 1 1 92 92 GLU HB3 H 1 2.1 0.02 . 1 . . . . . . . . 4198 1 637 . 1 1 92 92 GLU HG2 H 1 2.38 0.02 . 2 . . . . . . . . 4198 1 638 . 1 1 92 92 GLU HG3 H 1 2.28 0.02 . 2 . . . . . . . . 4198 1 639 . 1 1 92 92 GLU C C 13 179.089 0.25 . 1 . . . . . . . . 4198 1 640 . 1 1 92 92 GLU CA C 13 59.123 0.25 . 1 . . . . . . . . 4198 1 641 . 1 1 92 92 GLU CB C 13 29.122 0.25 . 1 . . . . . . . . 4198 1 642 . 1 1 92 92 GLU CG C 13 35.783 0.25 . 1 . . . . . . . . 4198 1 643 . 1 1 92 92 GLU N N 15 120.867 0.1 . 1 . . . . . . . . 4198 1 644 . 1 1 93 93 LEU H H 1 7.955 0.02 . 1 . . . . . . . . 4198 1 645 . 1 1 93 93 LEU HA H 1 4.084 0.02 . 1 . . . . . . . . 4198 1 646 . 1 1 93 93 LEU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 4198 1 647 . 1 1 93 93 LEU HB3 H 1 1.34 0.02 . 2 . . . . . . . . 4198 1 648 . 1 1 93 93 LEU HG H 1 1.73 0.02 . 1 . . . . . . . . 4198 1 649 . 1 1 93 93 LEU HD11 H 1 0.89 0.02 . 2 . . . . . . . . 4198 1 650 . 1 1 93 93 LEU HD12 H 1 0.89 0.02 . 2 . . . . . . . . 4198 1 651 . 1 1 93 93 LEU HD13 H 1 0.89 0.02 . 2 . . . . . . . . 4198 1 652 . 1 1 93 93 LEU HD21 H 1 0.85 0.02 . 2 . . . . . . . . 4198 1 653 . 1 1 93 93 LEU HD22 H 1 0.85 0.02 . 2 . . . . . . . . 4198 1 654 . 1 1 93 93 LEU HD23 H 1 0.85 0.02 . 2 . . . . . . . . 4198 1 655 . 1 1 93 93 LEU C C 13 179.28 0.25 . 1 . . . . . . . . 4198 1 656 . 1 1 93 93 LEU CA C 13 57.813 0.25 . 1 . . . . . . . . 4198 1 657 . 1 1 93 93 LEU CB C 13 42.926 0.25 . 1 . . . . . . . . 4198 1 658 . 1 1 93 93 LEU CD1 C 13 23.8 0.25 . 2 . . . . . . . . 4198 1 659 . 1 1 93 93 LEU CD2 C 13 25.3 0.25 . 2 . . . . . . . . 4198 1 660 . 1 1 93 93 LEU N N 15 121.426 0.1 . 1 . . . . . . . . 4198 1 661 . 1 1 94 94 MET H H 1 8.39 0.02 . 1 . . . . . . . . 4198 1 662 . 1 1 94 94 MET HA H 1 3.99 0.02 . 1 . . . . . . . . 4198 1 663 . 1 1 94 94 MET HB2 H 1 2.28 0.02 . 2 . . . . . . . . 4198 1 664 . 1 1 94 94 MET HB3 H 1 2.18 0.02 . 2 . . . . . . . . 4198 1 665 . 1 1 94 94 MET HG2 H 1 2.8 0.02 . 1 . . . . . . . . 4198 1 666 . 1 1 94 94 MET HG3 H 1 2.8 0.02 . 1 . . . . . . . . 4198 1 667 . 1 1 94 94 MET HE1 H 1 2.03 0.02 . 1 . . . . . . . . 4198 1 668 . 1 1 94 94 MET HE2 H 1 2.03 0.02 . 1 . . . . . . . . 4198 1 669 . 1 1 94 94 MET HE3 H 1 2.03 0.02 . 1 . . . . . . . . 4198 1 670 . 1 1 94 94 MET C C 13 179.14 0.25 . 1 . . . . . . . . 4198 1 671 . 1 1 94 94 MET CA C 13 59.532 0.25 . 1 . . . . . . . . 4198 1 672 . 1 1 94 94 MET CB C 13 32.63 0.25 . 1 . . . . . . . . 4198 1 673 . 1 1 94 94 MET CG C 13 31.88 0.25 . 1 . . . . . . . . 4198 1 674 . 1 1 94 94 MET CE C 13 16.5 0.25 . 1 . . . . . . . . 4198 1 675 . 1 1 94 94 MET N N 15 116.91 0.1 . 1 . . . . . . . . 4198 1 676 . 1 1 95 95 SER H H 1 8.2 0.02 . 1 . . . . . . . . 4198 1 677 . 1 1 95 95 SER HA H 1 4.21 0.02 . 1 . . . . . . . . 4198 1 678 . 1 1 95 95 SER HB2 H 1 4.03 0.02 . 1 . . . . . . . . 4198 1 679 . 1 1 95 95 SER HB3 H 1 4.03 0.02 . 1 . . . . . . . . 4198 1 680 . 1 1 95 95 SER C C 13 176.608 0.25 . 1 . . . . . . . . 4198 1 681 . 1 1 95 95 SER CA C 13 61.49 0.25 . 1 . . . . . . . . 4198 1 682 . 1 1 95 95 SER CB C 13 62.7 0.25 . 1 . . . . . . . . 4198 1 683 . 1 1 95 95 SER N N 15 116.02 0.1 . 1 . . . . . . . . 4198 1 684 . 1 1 96 96 ASP H H 1 8.23 0.02 . 1 . . . . . . . . 4198 1 685 . 1 1 96 96 ASP HA H 1 4.4 0.02 . 1 . . . . . . . . 4198 1 686 . 1 1 96 96 ASP HB2 H 1 2.79 0.02 . 2 . . . . . . . . 4198 1 687 . 1 1 96 96 ASP HB3 H 1 2.67 0.02 . 2 . . . . . . . . 4198 1 688 . 1 1 96 96 ASP C C 13 179.965 0.25 . 1 . . . . . . . . 4198 1 689 . 1 1 96 96 ASP CA C 13 57.53 0.25 . 1 . . . . . . . . 4198 1 690 . 1 1 96 96 ASP CB C 13 41.225 0.25 . 1 . . . . . . . . 4198 1 691 . 1 1 96 96 ASP N N 15 123.168 0.1 . 1 . . . . . . . . 4198 1 692 . 1 1 97 97 ILE H H 1 8.549 0.02 . 1 . . . . . . . . 4198 1 693 . 1 1 97 97 ILE HA H 1 3.51 0.02 . 1 . . . . . . . . 4198 1 694 . 1 1 97 97 ILE HB H 1 1.7 0.02 . 1 . . . . . . . . 4198 1 695 . 1 1 97 97 ILE HG12 H 1 1.83 0.02 . 2 . . . . . . . . 4198 1 696 . 1 1 97 97 ILE HG13 H 1 0.81 0.02 . 2 . . . . . . . . 4198 1 697 . 1 1 97 97 ILE HG21 H 1 0.22 0.02 . 1 . . . . . . . . 4198 1 698 . 1 1 97 97 ILE HG22 H 1 0.22 0.02 . 1 . . . . . . . . 4198 1 699 . 1 1 97 97 ILE HG23 H 1 0.22 0.02 . 1 . . . . . . . . 4198 1 700 . 1 1 97 97 ILE HD11 H 1 0.52 0.02 . 1 . . . . . . . . 4198 1 701 . 1 1 97 97 ILE HD12 H 1 0.52 0.02 . 1 . . . . . . . . 4198 1 702 . 1 1 97 97 ILE HD13 H 1 0.52 0.02 . 1 . . . . . . . . 4198 1 703 . 1 1 97 97 ILE C C 13 176.76 0.25 . 1 . . . . . . . . 4198 1 704 . 1 1 97 97 ILE CA C 13 66.397 0.25 . 1 . . . . . . . . 4198 1 705 . 1 1 97 97 ILE CB C 13 38.23 0.25 . 1 . . . . . . . . 4198 1 706 . 1 1 97 97 ILE CG1 C 13 30.8 0.25 . 2 . . . . . . . . 4198 1 707 . 1 1 97 97 ILE CG2 C 13 16.36 0.25 . 2 . . . . . . . . 4198 1 708 . 1 1 97 97 ILE CD1 C 13 14.7 0.25 . 1 . . . . . . . . 4198 1 709 . 1 1 97 97 ILE N N 15 122.531 0.1 . 1 . . . . . . . . 4198 1 710 . 1 1 98 98 LYS H H 1 7.79 0.02 . 1 . . . . . . . . 4198 1 711 . 1 1 98 98 LYS HA H 1 3.86 0.02 . 1 . . . . . . . . 4198 1 712 . 1 1 98 98 LYS HB2 H 1 1.96 0.02 . 1 . . . . . . . . 4198 1 713 . 1 1 98 98 LYS HB3 H 1 1.96 0.02 . 1 . . . . . . . . 4198 1 714 . 1 1 98 98 LYS HG2 H 1 1.57 0.02 . 2 . . . . . . . . 4198 1 715 . 1 1 98 98 LYS HG3 H 1 1.37 0.02 . 2 . . . . . . . . 4198 1 716 . 1 1 98 98 LYS HD3 H 1 1.74 0.02 . 1 . . . . . . . . 4198 1 717 . 1 1 98 98 LYS C C 13 179.16 0.25 . 1 . . . . . . . . 4198 1 718 . 1 1 98 98 LYS CA C 13 59.858 0.25 . 1 . . . . . . . . 4198 1 719 . 1 1 98 98 LYS CB C 13 31.99 0.25 . 1 . . . . . . . . 4198 1 720 . 1 1 98 98 LYS CG C 13 24.93 0.25 . 1 . . . . . . . . 4198 1 721 . 1 1 98 98 LYS CD C 13 28.7 0.25 . 1 . . . . . . . . 4198 1 722 . 1 1 98 98 LYS CE C 13 42.3 0.25 . 1 . . . . . . . . 4198 1 723 . 1 1 98 98 LYS N N 15 119.11 0.1 . 1 . . . . . . . . 4198 1 724 . 1 1 99 99 LYS H H 1 8.19 0.02 . 1 . . . . . . . . 4198 1 725 . 1 1 99 99 LYS HA H 1 4.06 0.02 . 1 . . . . . . . . 4198 1 726 . 1 1 99 99 LYS HB2 H 1 1.94 0.02 . 2 . . . . . . . . 4198 1 727 . 1 1 99 99 LYS HB3 H 1 1.83 0.02 . 2 . . . . . . . . 4198 1 728 . 1 1 99 99 LYS HG2 H 1 1.58 0.02 . 2 . . . . . . . . 4198 1 729 . 1 1 99 99 LYS HG3 H 1 1.38 0.02 . 2 . . . . . . . . 4198 1 730 . 1 1 99 99 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 4198 1 731 . 1 1 99 99 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 4198 1 732 . 1 1 99 99 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 4198 1 733 . 1 1 99 99 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 4198 1 734 . 1 1 99 99 LYS C C 13 180.099 0.25 . 1 . . . . . . . . 4198 1 735 . 1 1 99 99 LYS CA C 13 59.52 0.25 . 1 . . . . . . . . 4198 1 736 . 1 1 99 99 LYS CB C 13 32.37 0.25 . 1 . . . . . . . . 4198 1 737 . 1 1 99 99 LYS CG C 13 25.35 0.25 . 1 . . . . . . . . 4198 1 738 . 1 1 99 99 LYS CD C 13 29.2 0.25 . 1 . . . . . . . . 4198 1 739 . 1 1 99 99 LYS N N 15 118.525 0.1 . 1 . . . . . . . . 4198 1 740 . 1 1 100 100 THR H H 1 8.495 0.02 . 1 . . . . . . . . 4198 1 741 . 1 1 100 100 THR HA H 1 3.53 0.02 . 1 . . . . . . . . 4198 1 742 . 1 1 100 100 THR HB H 1 4.03 0.02 . 1 . . . . . . . . 4198 1 743 . 1 1 100 100 THR HG21 H 1 1.1 0.02 . 1 . . . . . . . . 4198 1 744 . 1 1 100 100 THR HG22 H 1 1.1 0.02 . 1 . . . . . . . . 4198 1 745 . 1 1 100 100 THR HG23 H 1 1.1 0.02 . 1 . . . . . . . . 4198 1 746 . 1 1 100 100 THR C C 13 175.888 0.25 . 1 . . . . . . . . 4198 1 747 . 1 1 100 100 THR CA C 13 67.1 0.25 . 1 . . . . . . . . 4198 1 748 . 1 1 100 100 THR CB C 13 67.7 0.25 . 1 . . . . . . . . 4198 1 749 . 1 1 100 100 THR CG2 C 13 22.361 0.25 . 1 . . . . . . . . 4198 1 750 . 1 1 100 100 THR N N 15 118.525 0.1 . 1 . . . . . . . . 4198 1 751 . 1 1 101 101 ALA H H 1 9.358 0.02 . 1 . . . . . . . . 4198 1 752 . 1 1 101 101 ALA HA H 1 4.04 0.02 . 1 . . . . . . . . 4198 1 753 . 1 1 101 101 ALA HB1 H 1 1.7 0.02 . 1 . . . . . . . . 4198 1 754 . 1 1 101 101 ALA HB2 H 1 1.7 0.02 . 1 . . . . . . . . 4198 1 755 . 1 1 101 101 ALA HB3 H 1 1.7 0.02 . 1 . . . . . . . . 4198 1 756 . 1 1 101 101 ALA C C 13 179.22 0.25 . 1 . . . . . . . . 4198 1 757 . 1 1 101 101 ALA CA C 13 55.695 0.25 . 1 . . . . . . . . 4198 1 758 . 1 1 101 101 ALA CB C 13 17.989 0.25 . 1 . . . . . . . . 4198 1 759 . 1 1 101 101 ALA N N 15 125.527 0.1 . 1 . . . . . . . . 4198 1 760 . 1 1 102 102 ASN H H 1 7.89 0.02 . 1 . . . . . . . . 4198 1 761 . 1 1 102 102 ASN HA H 1 4.49 0.02 . 1 . . . . . . . . 4198 1 762 . 1 1 102 102 ASN HB2 H 1 2.9 0.02 . 2 . . . . . . . . 4198 1 763 . 1 1 102 102 ASN HB3 H 1 2.86 0.02 . 2 . . . . . . . . 4198 1 764 . 1 1 102 102 ASN HD21 H 1 7.68 0.02 . 2 . . . . . . . . 4198 1 765 . 1 1 102 102 ASN HD22 H 1 6.94 0.02 . 2 . . . . . . . . 4198 1 766 . 1 1 102 102 ASN C C 13 178.055 0.25 . 1 . . . . . . . . 4198 1 767 . 1 1 102 102 ASN CA C 13 56.024 0.25 . 1 . . . . . . . . 4198 1 768 . 1 1 102 102 ASN CB C 13 37.757 0.25 . 1 . . . . . . . . 4198 1 769 . 1 1 102 102 ASN N N 15 116.02 0.1 . 1 . . . . . . . . 4198 1 770 . 1 1 102 102 ASN ND2 N 15 115.81 0.1 . 1 . . . . . . . . 4198 1 771 . 1 1 103 103 LYS H H 1 7.39 0.02 . 1 . . . . . . . . 4198 1 772 . 1 1 103 103 LYS HA H 1 4.04 0.02 . 1 . . . . . . . . 4198 1 773 . 1 1 103 103 LYS HB2 H 1 1.68 0.02 . 2 . . . . . . . . 4198 1 774 . 1 1 103 103 LYS HB3 H 1 1.57 0.02 . 2 . . . . . . . . 4198 1 775 . 1 1 103 103 LYS HG2 H 1 1.45 0.02 . 2 . . . . . . . . 4198 1 776 . 1 1 103 103 LYS HG3 H 1 1.14 0.02 . 2 . . . . . . . . 4198 1 777 . 1 1 103 103 LYS HD2 H 1 1.4 0.02 . 2 . . . . . . . . 4198 1 778 . 1 1 103 103 LYS HD3 H 1 1.21 0.02 . 2 . . . . . . . . 4198 1 779 . 1 1 103 103 LYS C C 13 178.577 0.25 . 1 . . . . . . . . 4198 1 780 . 1 1 103 103 LYS CA C 13 59.237 0.25 . 1 . . . . . . . . 4198 1 781 . 1 1 103 103 LYS CB C 13 31.899 0.25 . 1 . . . . . . . . 4198 1 782 . 1 1 103 103 LYS CG C 13 24.9 0.25 . 1 . . . . . . . . 4198 1 783 . 1 1 103 103 LYS CD C 13 29.5 0.25 . 1 . . . . . . . . 4198 1 784 . 1 1 103 103 LYS CE C 13 41.4 0.25 . 1 . . . . . . . . 4198 1 785 . 1 1 103 103 LYS N N 15 121.387 0.1 . 1 . . . . . . . . 4198 1 786 . 1 1 104 104 VAL H H 1 8.13 0.02 . 1 . . . . . . . . 4198 1 787 . 1 1 104 104 VAL HA H 1 3.14 0.02 . 1 . . . . . . . . 4198 1 788 . 1 1 104 104 VAL HB H 1 1.65 0.02 . 1 . . . . . . . . 4198 1 789 . 1 1 104 104 VAL HG11 H 1 0.94 0.02 . 2 . . . . . . . . 4198 1 790 . 1 1 104 104 VAL HG12 H 1 0.94 0.02 . 2 . . . . . . . . 4198 1 791 . 1 1 104 104 VAL HG13 H 1 0.94 0.02 . 2 . . . . . . . . 4198 1 792 . 1 1 104 104 VAL C C 13 176.957 0.25 . 1 . . . . . . . . 4198 1 793 . 1 1 104 104 VAL CA C 13 67.455 0.25 . 1 . . . . . . . . 4198 1 794 . 1 1 104 104 VAL CB C 13 31.18 0.25 . 1 . . . . . . . . 4198 1 795 . 1 1 104 104 VAL CG1 C 13 25.21 0.25 . 1 . . . . . . . . 4198 1 796 . 1 1 104 104 VAL CG2 C 13 20.76 0.25 . 1 . . . . . . . . 4198 1 797 . 1 1 104 104 VAL N N 15 119.406 0.1 . 1 . . . . . . . . 4198 1 798 . 1 1 105 105 ARG H H 1 8.436 0.02 . 1 . . . . . . . . 4198 1 799 . 1 1 105 105 ARG HA H 1 3.69 0.02 . 1 . . . . . . . . 4198 1 800 . 1 1 105 105 ARG HB2 H 1 1.97 0.02 . 1 . . . . . . . . 4198 1 801 . 1 1 105 105 ARG HB3 H 1 1.97 0.02 . 1 . . . . . . . . 4198 1 802 . 1 1 105 105 ARG HG2 H 1 1.89 0.02 . 2 . . . . . . . . 4198 1 803 . 1 1 105 105 ARG HG3 H 1 1.68 0.02 . 2 . . . . . . . . 4198 1 804 . 1 1 105 105 ARG HD2 H 1 3.34 0.02 . 1 . . . . . . . . 4198 1 805 . 1 1 105 105 ARG HD3 H 1 3.34 0.02 . 1 . . . . . . . . 4198 1 806 . 1 1 105 105 ARG C C 13 179.41 0.25 . 1 . . . . . . . . 4198 1 807 . 1 1 105 105 ARG CA C 13 60.097 0.25 . 1 . . . . . . . . 4198 1 808 . 1 1 105 105 ARG CB C 13 30.352 0.25 . 1 . . . . . . . . 4198 1 809 . 1 1 105 105 ARG CG C 13 28.293 0.25 . 1 . . . . . . . . 4198 1 810 . 1 1 105 105 ARG CD C 13 43.318 0.25 . 1 . . . . . . . . 4198 1 811 . 1 1 105 105 ARG N N 15 118.378 0.1 . 1 . . . . . . . . 4198 1 812 . 1 1 106 106 SER H H 1 7.83 0.02 . 1 . . . . . . . . 4198 1 813 . 1 1 106 106 SER HA H 1 4.21 0.02 . 1 . . . . . . . . 4198 1 814 . 1 1 106 106 SER HB2 H 1 3.99 0.02 . 1 . . . . . . . . 4198 1 815 . 1 1 106 106 SER HB3 H 1 3.99 0.02 . 1 . . . . . . . . 4198 1 816 . 1 1 106 106 SER C C 13 177.228 0.25 . 1 . . . . . . . . 4198 1 817 . 1 1 106 106 SER CA C 13 61.2 0.25 . 1 . . . . . . . . 4198 1 818 . 1 1 106 106 SER CB C 13 62.41 0.25 . 1 . . . . . . . . 4198 1 819 . 1 1 106 106 SER N N 15 113.67 0.1 . 1 . . . . . . . . 4198 1 820 . 1 1 107 107 LYS H H 1 8.218 0.02 . 1 . . . . . . . . 4198 1 821 . 1 1 107 107 LYS HA H 1 4.19 0.02 . 1 . . . . . . . . 4198 1 822 . 1 1 107 107 LYS HB2 H 1 1.81 0.02 . 1 . . . . . . . . 4198 1 823 . 1 1 107 107 LYS HB3 H 1 1.81 0.02 . 1 . . . . . . . . 4198 1 824 . 1 1 107 107 LYS HG2 H 1 1.41 0.02 . 1 . . . . . . . . 4198 1 825 . 1 1 107 107 LYS HG3 H 1 1.41 0.02 . 1 . . . . . . . . 4198 1 826 . 1 1 107 107 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 4198 1 827 . 1 1 107 107 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 4198 1 828 . 1 1 107 107 LYS HE2 H 1 2.94 0.02 . 2 . . . . . . . . 4198 1 829 . 1 1 107 107 LYS HE3 H 1 2.82 0.02 . 2 . . . . . . . . 4198 1 830 . 1 1 107 107 LYS C C 13 179.902 0.25 . 1 . . . . . . . . 4198 1 831 . 1 1 107 107 LYS CA C 13 59.208 0.25 . 1 . . . . . . . . 4198 1 832 . 1 1 107 107 LYS CB C 13 32.489 0.25 . 1 . . . . . . . . 4198 1 833 . 1 1 107 107 LYS N N 15 123.168 0.1 . 1 . . . . . . . . 4198 1 834 . 1 1 108 108 LEU H H 1 8.912 0.02 . 1 . . . . . . . . 4198 1 835 . 1 1 108 108 LEU HA H 1 4.1 0.02 . 1 . . . . . . . . 4198 1 836 . 1 1 108 108 LEU HB2 H 1 1.97 0.02 . 2 . . . . . . . . 4198 1 837 . 1 1 108 108 LEU HB3 H 1 1.47 0.02 . 2 . . . . . . . . 4198 1 838 . 1 1 108 108 LEU HG H 1 1.66 0.02 . 1 . . . . . . . . 4198 1 839 . 1 1 108 108 LEU HD11 H 1 0.72 0.02 . 2 . . . . . . . . 4198 1 840 . 1 1 108 108 LEU HD12 H 1 0.72 0.02 . 2 . . . . . . . . 4198 1 841 . 1 1 108 108 LEU HD13 H 1 0.72 0.02 . 2 . . . . . . . . 4198 1 842 . 1 1 108 108 LEU HD21 H 1 0.57 0.02 . 2 . . . . . . . . 4198 1 843 . 1 1 108 108 LEU HD22 H 1 0.57 0.02 . 2 . . . . . . . . 4198 1 844 . 1 1 108 108 LEU HD23 H 1 0.57 0.02 . 2 . . . . . . . . 4198 1 845 . 1 1 108 108 LEU C C 13 179.259 0.25 . 1 . . . . . . . . 4198 1 846 . 1 1 108 108 LEU CA C 13 58.089 0.25 . 1 . . . . . . . . 4198 1 847 . 1 1 108 108 LEU CB C 13 41.213 0.25 . 1 . . . . . . . . 4198 1 848 . 1 1 108 108 LEU CD1 C 13 23.1 0.25 . 1 . . . . . . . . 4198 1 849 . 1 1 108 108 LEU CD2 C 13 26.24 0.25 . 1 . . . . . . . . 4198 1 850 . 1 1 108 108 LEU N N 15 119.7 0.1 . 1 . . . . . . . . 4198 1 851 . 1 1 109 109 LYS H H 1 7.972 0.02 . 1 . . . . . . . . 4198 1 852 . 1 1 109 109 LYS HA H 1 4.22 0.02 . 1 . . . . . . . . 4198 1 853 . 1 1 109 109 LYS HB2 H 1 2.02 0.02 . 1 . . . . . . . . 4198 1 854 . 1 1 109 109 LYS HB3 H 1 1.98 0.02 . 1 . . . . . . . . 4198 1 855 . 1 1 109 109 LYS HG2 H 1 1.51 0.02 . 1 . . . . . . . . 4198 1 856 . 1 1 109 109 LYS HG3 H 1 1.51 0.02 . 1 . . . . . . . . 4198 1 857 . 1 1 109 109 LYS HD2 H 1 1.73 0.02 . 1 . . . . . . . . 4198 1 858 . 1 1 109 109 LYS HD3 H 1 1.73 0.02 . 1 . . . . . . . . 4198 1 859 . 1 1 109 109 LYS HE2 H 1 2.93 0.02 . 1 . . . . . . . . 4198 1 860 . 1 1 109 109 LYS HE3 H 1 2.93 0.02 . 1 . . . . . . . . 4198 1 861 . 1 1 109 109 LYS C C 13 178.48 0.25 . 1 . . . . . . . . 4198 1 862 . 1 1 109 109 LYS CA C 13 58.253 0.25 . 1 . . . . . . . . 4198 1 863 . 1 1 109 109 LYS CB C 13 31.4 0.25 . 1 . . . . . . . . 4198 1 864 . 1 1 109 109 LYS CG C 13 24.24 0.25 . 1 . . . . . . . . 4198 1 865 . 1 1 109 109 LYS CD C 13 28.2 0.25 . 1 . . . . . . . . 4198 1 866 . 1 1 109 109 LYS N N 15 120.58 0.1 . 1 . . . . . . . . 4198 1 867 . 1 1 110 110 SER H H 1 7.89 0.02 . 1 . . . . . . . . 4198 1 868 . 1 1 110 110 SER HA H 1 4.3 0.02 . 1 . . . . . . . . 4198 1 869 . 1 1 110 110 SER HB2 H 1 4.04 0.02 . 1 . . . . . . . . 4198 1 870 . 1 1 110 110 SER HB3 H 1 4.04 0.02 . 1 . . . . . . . . 4198 1 871 . 1 1 110 110 SER C C 13 177.905 0.25 . 1 . . . . . . . . 4198 1 872 . 1 1 110 110 SER CA C 13 62 0.25 . 1 . . . . . . . . 4198 1 873 . 1 1 110 110 SER CB C 13 61.84 0.25 . 1 . . . . . . . . 4198 1 874 . 1 1 110 110 SER N N 15 115.14 0.1 . 1 . . . . . . . . 4198 1 875 . 1 1 111 111 ILE H H 1 7.807 0.02 . 1 . . . . . . . . 4198 1 876 . 1 1 111 111 ILE HA H 1 3.91 0.02 . 1 . . . . . . . . 4198 1 877 . 1 1 111 111 ILE HB H 1 2.11 0.02 . 1 . . . . . . . . 4198 1 878 . 1 1 111 111 ILE HG12 H 1 1.92 0.02 . 2 . . . . . . . . 4198 1 879 . 1 1 111 111 ILE HG13 H 1 1.29 0.02 . 2 . . . . . . . . 4198 1 880 . 1 1 111 111 ILE HG21 H 1 1.08 0.02 . 1 . . . . . . . . 4198 1 881 . 1 1 111 111 ILE HG22 H 1 1.08 0.02 . 1 . . . . . . . . 4198 1 882 . 1 1 111 111 ILE HG23 H 1 1.08 0.02 . 1 . . . . . . . . 4198 1 883 . 1 1 111 111 ILE HD11 H 1 0.72 0.02 . 1 . . . . . . . . 4198 1 884 . 1 1 111 111 ILE HD12 H 1 0.72 0.02 . 1 . . . . . . . . 4198 1 885 . 1 1 111 111 ILE HD13 H 1 0.72 0.02 . 1 . . . . . . . . 4198 1 886 . 1 1 111 111 ILE C C 13 177.954 0.25 . 1 . . . . . . . . 4198 1 887 . 1 1 111 111 ILE CA C 13 64.987 0.25 . 1 . . . . . . . . 4198 1 888 . 1 1 111 111 ILE CB C 13 38.2 0.25 . 1 . . . . . . . . 4198 1 889 . 1 1 111 111 ILE CG1 C 13 28.5 0.25 . 1 . . . . . . . . 4198 1 890 . 1 1 111 111 ILE CG2 C 13 17.85 0.25 . 1 . . . . . . . . 4198 1 891 . 1 1 111 111 ILE CD1 C 13 13.5 0.25 . 1 . . . . . . . . 4198 1 892 . 1 1 111 111 ILE N N 15 121.755 0.1 . 1 . . . . . . . . 4198 1 893 . 1 1 112 112 GLU H H 1 8.383 0.02 . 1 . . . . . . . . 4198 1 894 . 1 1 112 112 GLU HA H 1 3.36 0.02 . 1 . . . . . . . . 4198 1 895 . 1 1 112 112 GLU HB2 H 1 2.23 0.02 . 2 . . . . . . . . 4198 1 896 . 1 1 112 112 GLU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 4198 1 897 . 1 1 112 112 GLU HG2 H 1 2.06 0.02 . 2 . . . . . . . . 4198 1 898 . 1 1 112 112 GLU HG3 H 1 2 0.02 . 2 . . . . . . . . 4198 1 899 . 1 1 112 112 GLU C C 13 178.4 0.25 . 1 . . . . . . . . 4198 1 900 . 1 1 112 112 GLU CA C 13 59.62 0.25 . 1 . . . . . . . . 4198 1 901 . 1 1 112 112 GLU CB C 13 29.52 0.25 . 1 . . . . . . . . 4198 1 902 . 1 1 112 112 GLU CG C 13 35.8 0.25 . 1 . . . . . . . . 4198 1 903 . 1 1 112 112 GLU N N 15 123.012 0.1 . 1 . . . . . . . . 4198 1 904 . 1 1 113 113 GLN H H 1 8.49 0.02 . 1 . . . . . . . . 4198 1 905 . 1 1 113 113 GLN HA H 1 4.08 0.02 . 1 . . . . . . . . 4198 1 906 . 1 1 113 113 GLN HB2 H 1 2.22 0.02 . 2 . . . . . . . . 4198 1 907 . 1 1 113 113 GLN HB3 H 1 2.07 0.02 . 2 . . . . . . . . 4198 1 908 . 1 1 113 113 GLN HG2 H 1 2.54 0.02 . 2 . . . . . . . . 4198 1 909 . 1 1 113 113 GLN HG3 H 1 2.38 0.02 . 2 . . . . . . . . 4198 1 910 . 1 1 113 113 GLN HE21 H 1 7.5 0.02 . 2 . . . . . . . . 4198 1 911 . 1 1 113 113 GLN HE22 H 1 6.8 0.02 . 2 . . . . . . . . 4198 1 912 . 1 1 113 113 GLN C C 13 178.43 0.25 . 1 . . . . . . . . 4198 1 913 . 1 1 113 113 GLN CA C 13 58.703 0.25 . 1 . . . . . . . . 4198 1 914 . 1 1 113 113 GLN CB C 13 28.34 0.25 . 1 . . . . . . . . 4198 1 915 . 1 1 113 113 GLN CG C 13 34.394 0.25 . 1 . . . . . . . . 4198 1 916 . 1 1 113 113 GLN N N 15 118.08 0.1 . 1 . . . . . . . . 4198 1 917 . 1 1 113 113 GLN NE2 N 15 114.81 0.1 . 1 . . . . . . . . 4198 1 918 . 1 1 114 114 SER H H 1 7.78 0.02 . 1 . . . . . . . . 4198 1 919 . 1 1 114 114 SER HA H 1 4.27 0.02 . 1 . . . . . . . . 4198 1 920 . 1 1 114 114 SER HB2 H 1 4.03 0.02 . 1 . . . . . . . . 4198 1 921 . 1 1 114 114 SER HB3 H 1 4.03 0.02 . 1 . . . . . . . . 4198 1 922 . 1 1 114 114 SER C C 13 176.729 0.25 . 1 . . . . . . . . 4198 1 923 . 1 1 114 114 SER CA C 13 61.325 0.25 . 1 . . . . . . . . 4198 1 924 . 1 1 114 114 SER CB C 13 62.567 0.25 . 1 . . . . . . . . 4198 1 925 . 1 1 114 114 SER N N 15 115.88 0.1 . 1 . . . . . . . . 4198 1 926 . 1 1 115 115 ILE H H 1 7.861 0.02 . 1 . . . . . . . . 4198 1 927 . 1 1 115 115 ILE HA H 1 3.54 0.02 . 1 . . . . . . . . 4198 1 928 . 1 1 115 115 ILE HB H 1 1.89 0.02 . 1 . . . . . . . . 4198 1 929 . 1 1 115 115 ILE HG12 H 1 1.74 0.02 . 2 . . . . . . . . 4198 1 930 . 1 1 115 115 ILE HG13 H 1 0.69 0.02 . 2 . . . . . . . . 4198 1 931 . 1 1 115 115 ILE HG21 H 1 0.8 0.02 . 1 . . . . . . . . 4198 1 932 . 1 1 115 115 ILE HG22 H 1 0.8 0.02 . 1 . . . . . . . . 4198 1 933 . 1 1 115 115 ILE HG23 H 1 0.8 0.02 . 1 . . . . . . . . 4198 1 934 . 1 1 115 115 ILE HD11 H 1 0.62 0.02 . 1 . . . . . . . . 4198 1 935 . 1 1 115 115 ILE HD12 H 1 0.62 0.02 . 1 . . . . . . . . 4198 1 936 . 1 1 115 115 ILE HD13 H 1 0.62 0.02 . 1 . . . . . . . . 4198 1 937 . 1 1 115 115 ILE C C 13 177.1 0.25 . 1 . . . . . . . . 4198 1 938 . 1 1 115 115 ILE CA C 13 65.11 0.25 . 1 . . . . . . . . 4198 1 939 . 1 1 115 115 ILE CB C 13 38.1 0.25 . 1 . . . . . . . . 4198 1 940 . 1 1 115 115 ILE CG1 C 13 29.3 0.25 . 1 . . . . . . . . 4198 1 941 . 1 1 115 115 ILE CG2 C 13 17.52 0.25 . 1 . . . . . . . . 4198 1 942 . 1 1 115 115 ILE CD1 C 13 14.3 0.25 . 1 . . . . . . . . 4198 1 943 . 1 1 115 115 ILE N N 15 122.978 0.1 . 1 . . . . . . . . 4198 1 944 . 1 1 116 116 GLU H H 1 8.033 0.02 . 1 . . . . . . . . 4198 1 945 . 1 1 116 116 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 4198 1 946 . 1 1 116 116 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4198 1 947 . 1 1 116 116 GLU HB3 H 1 2.63 0.02 . 2 . . . . . . . . 4198 1 948 . 1 1 116 116 GLU HG2 H 1 2.38 0.02 . 1 . . . . . . . . 4198 1 949 . 1 1 116 116 GLU HG3 H 1 2.38 0.02 . 1 . . . . . . . . 4198 1 950 . 1 1 116 116 GLU C C 13 179.4 0.25 . 1 . . . . . . . . 4198 1 951 . 1 1 116 116 GLU CA C 13 58.73 0.25 . 1 . . . . . . . . 4198 1 952 . 1 1 116 116 GLU CB C 13 29.4 0.25 . 1 . . . . . . . . 4198 1 953 . 1 1 116 116 GLU CG C 13 36.2 0.25 . 1 . . . . . . . . 4198 1 954 . 1 1 116 116 GLU N N 15 119.112 0.1 . 1 . . . . . . . . 4198 1 955 . 1 1 117 117 GLN H H 1 7.972 0.02 . 1 . . . . . . . . 4198 1 956 . 1 1 117 117 GLN HA H 1 4.08 0.02 . 1 . . . . . . . . 4198 1 957 . 1 1 117 117 GLN HB2 H 1 2.15 0.02 . 1 . . . . . . . . 4198 1 958 . 1 1 117 117 GLN HB3 H 1 2.15 0.02 . 1 . . . . . . . . 4198 1 959 . 1 1 117 117 GLN HG2 H 1 2.43 0.02 . 2 . . . . . . . . 4198 1 960 . 1 1 117 117 GLN HG3 H 1 2.38 0.02 . 2 . . . . . . . . 4198 1 961 . 1 1 117 117 GLN HE21 H 1 7.44 0.02 . 2 . . . . . . . . 4198 1 962 . 1 1 117 117 GLN HE22 H 1 6.77 0.02 . 2 . . . . . . . . 4198 1 963 . 1 1 117 117 GLN C C 13 178.005 0.25 . 1 . . . . . . . . 4198 1 964 . 1 1 117 117 GLN CA C 13 57.892 0.25 . 1 . . . . . . . . 4198 1 965 . 1 1 117 117 GLN CB C 13 28.511 0.25 . 1 . . . . . . . . 4198 1 966 . 1 1 117 117 GLN CG C 13 33.897 0.25 . 1 . . . . . . . . 4198 1 967 . 1 1 117 117 GLN N N 15 118.084 0.1 . 1 . . . . . . . . 4198 1 968 . 1 1 117 117 GLN NE2 N 15 114.69 0.1 . 1 . . . . . . . . 4198 1 969 . 1 1 118 118 GLU H H 1 7.823 0.02 . 1 . . . . . . . . 4198 1 970 . 1 1 118 118 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 4198 1 971 . 1 1 118 118 GLU HB2 H 1 2.03 0.02 . 1 . . . . . . . . 4198 1 972 . 1 1 118 118 GLU HB3 H 1 2.03 0.02 . 1 . . . . . . . . 4198 1 973 . 1 1 118 118 GLU HG2 H 1 2.26 0.02 . 2 . . . . . . . . 4198 1 974 . 1 1 118 118 GLU HG3 H 1 2.21 0.02 . 2 . . . . . . . . 4198 1 975 . 1 1 118 118 GLU C C 13 178.605 0.25 . 1 . . . . . . . . 4198 1 976 . 1 1 118 118 GLU CA C 13 58.437 0.25 . 1 . . . . . . . . 4198 1 977 . 1 1 118 118 GLU CB C 13 29.826 0.25 . 1 . . . . . . . . 4198 1 978 . 1 1 118 118 GLU CG C 13 36.373 0.25 . 1 . . . . . . . . 4198 1 979 . 1 1 118 118 GLU N N 15 119.846 0.1 . 1 . . . . . . . . 4198 1 980 . 1 1 119 119 GLU H H 1 8.564 0.02 . 1 . . . . . . . . 4198 1 981 . 1 1 119 119 GLU HA H 1 3.97 0.02 . 1 . . . . . . . . 4198 1 982 . 1 1 119 119 GLU HB2 H 1 2.09 0.02 . 2 . . . . . . . . 4198 1 983 . 1 1 119 119 GLU HB3 H 1 1.98 0.02 . 2 . . . . . . . . 4198 1 984 . 1 1 119 119 GLU HG2 H 1 2.35 0.02 . 2 . . . . . . . . 4198 1 985 . 1 1 119 119 GLU HG3 H 1 2.17 0.02 . 2 . . . . . . . . 4198 1 986 . 1 1 119 119 GLU C C 13 178.764 0.25 . 1 . . . . . . . . 4198 1 987 . 1 1 119 119 GLU CA C 13 58.69 0.25 . 1 . . . . . . . . 4198 1 988 . 1 1 119 119 GLU CB C 13 29.611 0.25 . 1 . . . . . . . . 4198 1 989 . 1 1 119 119 GLU CG C 13 36.944 0.25 . 1 . . . . . . . . 4198 1 990 . 1 1 119 119 GLU N N 15 120.727 0.1 . 1 . . . . . . . . 4198 1 991 . 1 1 120 120 GLY H H 1 8.017 0.02 . 1 . . . . . . . . 4198 1 992 . 1 1 120 120 GLY HA2 H 1 3.92 0.02 . 2 . . . . . . . . 4198 1 993 . 1 1 120 120 GLY HA3 H 1 3.88 0.02 . 2 . . . . . . . . 4198 1 994 . 1 1 120 120 GLY C C 13 174.644 0.25 . 1 . . . . . . . . 4198 1 995 . 1 1 120 120 GLY CA C 13 45.892 0.25 . 1 . . . . . . . . 4198 1 996 . 1 1 120 120 GLY N N 15 106.7 0.1 . 1 . . . . . . . . 4198 1 997 . 1 1 121 121 LEU H H 1 7.49 0.02 . 1 . . . . . . . . 4198 1 998 . 1 1 121 121 LEU HA H 1 4.34 0.02 . 1 . . . . . . . . 4198 1 999 . 1 1 121 121 LEU HB2 H 1 1.7 0.02 . 2 . . . . . . . . 4198 1 1000 . 1 1 121 121 LEU HB3 H 1 1.55 0.02 . 2 . . . . . . . . 4198 1 1001 . 1 1 121 121 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 4198 1 1002 . 1 1 121 121 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 4198 1 1003 . 1 1 121 121 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 4198 1 1004 . 1 1 121 121 LEU HD21 H 1 0.83 0.02 . 2 . . . . . . . . 4198 1 1005 . 1 1 121 121 LEU HD22 H 1 0.83 0.02 . 2 . . . . . . . . 4198 1 1006 . 1 1 121 121 LEU HD23 H 1 0.83 0.02 . 2 . . . . . . . . 4198 1 1007 . 1 1 121 121 LEU C C 13 177.11 0.25 . 1 . . . . . . . . 4198 1 1008 . 1 1 121 121 LEU CA C 13 55.065 0.25 . 1 . . . . . . . . 4198 1 1009 . 1 1 121 121 LEU CB C 13 42.391 0.25 . 1 . . . . . . . . 4198 1 1010 . 1 1 121 121 LEU CD1 C 13 25.11 0.25 . 1 . . . . . . . . 4198 1 1011 . 1 1 121 121 LEU CD2 C 13 22.67 0.25 . 1 . . . . . . . . 4198 1 1012 . 1 1 121 121 LEU N N 15 119.993 0.1 . 1 . . . . . . . . 4198 1 1013 . 1 1 122 122 ASN H H 1 8.19 0.02 . 1 . . . . . . . . 4198 1 1014 . 1 1 122 122 ASN HA H 1 4.56 0.02 . 1 . . . . . . . . 4198 1 1015 . 1 1 122 122 ASN HB2 H 1 2.95 0.02 . 2 . . . . . . . . 4198 1 1016 . 1 1 122 122 ASN HB3 H 1 2.71 0.02 . 2 . . . . . . . . 4198 1 1017 . 1 1 122 122 ASN HD21 H 1 7.58 0.02 . 2 . . . . . . . . 4198 1 1018 . 1 1 122 122 ASN HD22 H 1 6.84 0.02 . 2 . . . . . . . . 4198 1 1019 . 1 1 122 122 ASN C C 13 174.726 0.25 . 1 . . . . . . . . 4198 1 1020 . 1 1 122 122 ASN CA C 13 53.51 0.25 . 1 . . . . . . . . 4198 1 1021 . 1 1 122 122 ASN CB C 13 37.794 0.25 . 1 . . . . . . . . 4198 1 1022 . 1 1 122 122 ASN N N 15 116.32 0.1 . 1 . . . . . . . . 4198 1 1023 . 1 1 122 122 ASN ND2 N 15 115.53 0.1 . 1 . . . . . . . . 4198 1 1024 . 1 1 123 123 ARG H H 1 8.024 0.02 . 1 . . . . . . . . 4198 1 1025 . 1 1 123 123 ARG HA H 1 4.33 0.02 . 1 . . . . . . . . 4198 1 1026 . 1 1 123 123 ARG HB2 H 1 1.83 0.02 . 2 . . . . . . . . 4198 1 1027 . 1 1 123 123 ARG HB3 H 1 1.73 0.02 . 2 . . . . . . . . 4198 1 1028 . 1 1 123 123 ARG HG2 H 1 1.57 0.02 . 1 . . . . . . . . 4198 1 1029 . 1 1 123 123 ARG HG3 H 1 1.57 0.02 . 1 . . . . . . . . 4198 1 1030 . 1 1 123 123 ARG HD2 H 1 3.11 0.02 . 1 . . . . . . . . 4198 1 1031 . 1 1 123 123 ARG HD3 H 1 3.11 0.02 . 1 . . . . . . . . 4198 1 1032 . 1 1 123 123 ARG C C 13 176.07 0.25 . 1 . . . . . . . . 4198 1 1033 . 1 1 123 123 ARG CA C 13 56.192 0.25 . 1 . . . . . . . . 4198 1 1034 . 1 1 123 123 ARG CB C 13 30.763 0.25 . 1 . . . . . . . . 4198 1 1035 . 1 1 123 123 ARG CG C 13 27.053 0.25 . 1 . . . . . . . . 4198 1 1036 . 1 1 123 123 ARG CD C 13 43.247 0.25 . 1 . . . . . . . . 4198 1 1037 . 1 1 123 123 ARG N N 15 119.112 0.1 . 1 . . . . . . . . 4198 1 1038 . 1 1 124 124 SER H H 1 8.33 0.02 . 1 . . . . . . . . 4198 1 1039 . 1 1 124 124 SER HA H 1 4.47 0.02 . 1 . . . . . . . . 4198 1 1040 . 1 1 124 124 SER HB2 H 1 3.89 0.02 . 2 . . . . . . . . 4198 1 1041 . 1 1 124 124 SER HB3 H 1 3.83 0.02 . 2 . . . . . . . . 4198 1 1042 . 1 1 124 124 SER C C 13 174.41 0.25 . 1 . . . . . . . . 4198 1 1043 . 1 1 124 124 SER CA C 13 57.63 0.25 . 1 . . . . . . . . 4198 1 1044 . 1 1 124 124 SER CB C 13 63.29 0.25 . 1 . . . . . . . . 4198 1 1045 . 1 1 124 124 SER N N 15 115.44 0.1 . 1 . . . . . . . . 4198 1 1046 . 1 1 125 125 SER H H 1 8.02 0.02 . 1 . . . . . . . . 4198 1 1047 . 1 1 125 125 SER HA H 1 4.4 0.02 . 1 . . . . . . . . 4198 1 1048 . 1 1 125 125 SER HB2 H 1 4.05 0.02 . 2 . . . . . . . . 4198 1 1049 . 1 1 125 125 SER HB3 H 1 3.9 0.02 . 2 . . . . . . . . 4198 1 1050 . 1 1 125 125 SER C C 13 175.64 0.25 . 1 . . . . . . . . 4198 1 1051 . 1 1 125 125 SER CA C 13 58.27 0.25 . 1 . . . . . . . . 4198 1 1052 . 1 1 125 125 SER CB C 13 63.83 0.25 . 1 . . . . . . . . 4198 1 1053 . 1 1 125 125 SER N N 15 118.08 0.1 . 1 . . . . . . . . 4198 1 1054 . 1 1 126 126 ALA H H 1 8.79 0.02 . 1 . . . . . . . . 4198 1 1055 . 1 1 126 126 ALA HA H 1 4.11 0.02 . 1 . . . . . . . . 4198 1 1056 . 1 1 126 126 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 4198 1 1057 . 1 1 126 126 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 4198 1 1058 . 1 1 126 126 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 4198 1 1059 . 1 1 126 126 ALA C C 13 179.51 0.25 . 1 . . . . . . . . 4198 1 1060 . 1 1 126 126 ALA CA C 13 54.903 0.25 . 1 . . . . . . . . 4198 1 1061 . 1 1 126 126 ALA CB C 13 18.44 0.25 . 1 . . . . . . . . 4198 1 1062 . 1 1 126 126 ALA N N 15 127.24 0.1 . 1 . . . . . . . . 4198 1 1063 . 1 1 127 127 ASP H H 1 8.08 0.02 . 1 . . . . . . . . 4198 1 1064 . 1 1 127 127 ASP HA H 1 4.41 0.02 . 1 . . . . . . . . 4198 1 1065 . 1 1 127 127 ASP HB2 H 1 2.74 0.02 . 2 . . . . . . . . 4198 1 1066 . 1 1 127 127 ASP HB3 H 1 2.61 0.02 . 2 . . . . . . . . 4198 1 1067 . 1 1 127 127 ASP C C 13 177.935 0.25 . 1 . . . . . . . . 4198 1 1068 . 1 1 127 127 ASP CA C 13 56.35 0.25 . 1 . . . . . . . . 4198 1 1069 . 1 1 127 127 ASP CB C 13 40.558 0.25 . 1 . . . . . . . . 4198 1 1070 . 1 1 127 127 ASP N N 15 117.49 0.1 . 1 . . . . . . . . 4198 1 1071 . 1 1 128 128 LEU H H 1 7.721 0.02 . 1 . . . . . . . . 4198 1 1072 . 1 1 128 128 LEU HA H 1 3.86 0.02 . 1 . . . . . . . . 4198 1 1073 . 1 1 128 128 LEU HB2 H 1 1.75 0.02 . 2 . . . . . . . . 4198 1 1074 . 1 1 128 128 LEU HB3 H 1 1.62 0.02 . 2 . . . . . . . . 4198 1 1075 . 1 1 128 128 LEU HG H 1 1.59 0.02 . 1 . . . . . . . . 4198 1 1076 . 1 1 128 128 LEU HD11 H 1 0.9 0.02 . 2 . . . . . . . . 4198 1 1077 . 1 1 128 128 LEU HD12 H 1 0.9 0.02 . 2 . . . . . . . . 4198 1 1078 . 1 1 128 128 LEU HD13 H 1 0.9 0.02 . 2 . . . . . . . . 4198 1 1079 . 1 1 128 128 LEU HD21 H 1 0.88 0.02 . 2 . . . . . . . . 4198 1 1080 . 1 1 128 128 LEU HD22 H 1 0.88 0.02 . 2 . . . . . . . . 4198 1 1081 . 1 1 128 128 LEU HD23 H 1 0.88 0.02 . 2 . . . . . . . . 4198 1 1082 . 1 1 128 128 LEU C C 13 178.3 0.25 . 1 . . . . . . . . 4198 1 1083 . 1 1 128 128 LEU CA C 13 57.761 0.25 . 1 . . . . . . . . 4198 1 1084 . 1 1 128 128 LEU CB C 13 41.581 0.25 . 1 . . . . . . . . 4198 1 1085 . 1 1 128 128 LEU CD1 C 13 24.6 0.25 . 1 . . . . . . . . 4198 1 1086 . 1 1 128 128 LEU CD2 C 13 25.3 0.25 . 1 . . . . . . . . 4198 1 1087 . 1 1 128 128 LEU N N 15 121.755 0.1 . 1 . . . . . . . . 4198 1 1088 . 1 1 129 129 ARG H H 1 7.76 0.02 . 1 . . . . . . . . 4198 1 1089 . 1 1 129 129 ARG HA H 1 3.96 0.02 . 1 . . . . . . . . 4198 1 1090 . 1 1 129 129 ARG HB2 H 1 1.96 0.02 . 1 . . . . . . . . 4198 1 1091 . 1 1 129 129 ARG HB3 H 1 1.96 0.02 . 1 . . . . . . . . 4198 1 1092 . 1 1 129 129 ARG HG2 H 1 1.77 0.02 . 2 . . . . . . . . 4198 1 1093 . 1 1 129 129 ARG HG3 H 1 1.59 0.02 . 2 . . . . . . . . 4198 1 1094 . 1 1 129 129 ARG HD2 H 1 3.2 0.02 . 1 . . . . . . . . 4198 1 1095 . 1 1 129 129 ARG HD3 H 1 3.2 0.02 . 1 . . . . . . . . 4198 1 1096 . 1 1 129 129 ARG C C 13 179.456 0.25 . 1 . . . . . . . . 4198 1 1097 . 1 1 129 129 ARG CA C 13 59.5 0.25 . 1 . . . . . . . . 4198 1 1098 . 1 1 129 129 ARG CB C 13 29.6 0.25 . 1 . . . . . . . . 4198 1 1099 . 1 1 129 129 ARG CG C 13 27.42 0.25 . 1 . . . . . . . . 4198 1 1100 . 1 1 129 129 ARG CD C 13 43.3 0.25 . 1 . . . . . . . . 4198 1 1101 . 1 1 129 129 ARG N N 15 118.08 0.1 . 1 . . . . . . . . 4198 1 1102 . 1 1 130 130 ILE H H 1 7.758 0.02 . 1 . . . . . . . . 4198 1 1103 . 1 1 130 130 ILE HA H 1 3.86 0.02 . 1 . . . . . . . . 4198 1 1104 . 1 1 130 130 ILE HB H 1 2.03 0.02 . 1 . . . . . . . . 4198 1 1105 . 1 1 130 130 ILE HG12 H 1 1.79 0.02 . 2 . . . . . . . . 4198 1 1106 . 1 1 130 130 ILE HG13 H 1 1.29 0.02 . 2 . . . . . . . . 4198 1 1107 . 1 1 130 130 ILE HG21 H 1 1.07 0.02 . 1 . . . . . . . . 4198 1 1108 . 1 1 130 130 ILE HG22 H 1 1.07 0.02 . 1 . . . . . . . . 4198 1 1109 . 1 1 130 130 ILE HG23 H 1 1.07 0.02 . 1 . . . . . . . . 4198 1 1110 . 1 1 130 130 ILE HD11 H 1 0.99 0.02 . 1 . . . . . . . . 4198 1 1111 . 1 1 130 130 ILE HD12 H 1 0.99 0.02 . 1 . . . . . . . . 4198 1 1112 . 1 1 130 130 ILE HD13 H 1 0.99 0.02 . 1 . . . . . . . . 4198 1 1113 . 1 1 130 130 ILE C C 13 178.24 0.25 . 1 . . . . . . . . 4198 1 1114 . 1 1 130 130 ILE CA C 13 64.5 0.25 . 1 . . . . . . . . 4198 1 1115 . 1 1 130 130 ILE CB C 13 37.8 0.25 . 1 . . . . . . . . 4198 1 1116 . 1 1 130 130 ILE CG1 C 13 29.07 0.25 . 1 . . . . . . . . 4198 1 1117 . 1 1 130 130 ILE CG2 C 13 17.7 0.25 . 1 . . . . . . . . 4198 1 1118 . 1 1 130 130 ILE CD1 C 13 13.03 0.25 . 1 . . . . . . . . 4198 1 1119 . 1 1 130 130 ILE N N 15 121.023 0.1 . 1 . . . . . . . . 4198 1 1120 . 1 1 131 131 ARG H H 1 7.811 0.02 . 1 . . . . . . . . 4198 1 1121 . 1 1 131 131 ARG HA H 1 3.83 0.02 . 1 . . . . . . . . 4198 1 1122 . 1 1 131 131 ARG HB2 H 1 1.14 0.02 . 1 . . . . . . . . 4198 1 1123 . 1 1 131 131 ARG HB3 H 1 1.14 0.02 . 1 . . . . . . . . 4198 1 1124 . 1 1 131 131 ARG HG2 H 1 1.3 0.02 . 2 . . . . . . . . 4198 1 1125 . 1 1 131 131 ARG HG3 H 1 -0.23 0.02 . 2 . . . . . . . . 4198 1 1126 . 1 1 131 131 ARG HD2 H 1 2.57 0.02 . 2 . . . . . . . . 4198 1 1127 . 1 1 131 131 ARG HD3 H 1 2.46 0.02 . 2 . . . . . . . . 4198 1 1128 . 1 1 131 131 ARG C C 13 178.474 0.25 . 1 . . . . . . . . 4198 1 1129 . 1 1 131 131 ARG CA C 13 59.8 0.25 . 1 . . . . . . . . 4198 1 1130 . 1 1 131 131 ARG CB C 13 30.2 0.25 . 1 . . . . . . . . 4198 1 1131 . 1 1 131 131 ARG CG C 13 26.9 0.25 . 1 . . . . . . . . 4198 1 1132 . 1 1 131 131 ARG CD C 13 43.829 0.25 . 1 . . . . . . . . 4198 1 1133 . 1 1 131 131 ARG N N 15 119.259 0.1 . 1 . . . . . . . . 4198 1 1134 . 1 1 132 132 LYS H H 1 8.546 0.02 . 1 . . . . . . . . 4198 1 1135 . 1 1 132 132 LYS HA H 1 4.02 0.02 . 1 . . . . . . . . 4198 1 1136 . 1 1 132 132 LYS HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4198 1 1137 . 1 1 132 132 LYS HB3 H 1 1.8 0.02 . 2 . . . . . . . . 4198 1 1138 . 1 1 132 132 LYS HG2 H 1 1.63 0.02 . 2 . . . . . . . . 4198 1 1139 . 1 1 132 132 LYS HG3 H 1 1.48 0.02 . 2 . . . . . . . . 4198 1 1140 . 1 1 132 132 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 4198 1 1141 . 1 1 132 132 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 4198 1 1142 . 1 1 132 132 LYS HE2 H 1 2.84 0.02 . 1 . . . . . . . . 4198 1 1143 . 1 1 132 132 LYS HE3 H 1 2.84 0.02 . 1 . . . . . . . . 4198 1 1144 . 1 1 132 132 LYS C C 13 179.68 0.25 . 1 . . . . . . . . 4198 1 1145 . 1 1 132 132 LYS CA C 13 60.19 0.25 . 1 . . . . . . . . 4198 1 1146 . 1 1 132 132 LYS CB C 13 32.682 0.25 . 1 . . . . . . . . 4198 1 1147 . 1 1 132 132 LYS CG C 13 26.1 0.25 . 1 . . . . . . . . 4198 1 1148 . 1 1 132 132 LYS CD C 13 29.7 0.25 . 1 . . . . . . . . 4198 1 1149 . 1 1 132 132 LYS N N 15 118.378 0.1 . 1 . . . . . . . . 4198 1 1150 . 1 1 133 133 THR H H 1 8.41 0.02 . 1 . . . . . . . . 4198 1 1151 . 1 1 133 133 THR HA H 1 4.08 0.02 . 1 . . . . . . . . 4198 1 1152 . 1 1 133 133 THR HB H 1 4.38 0.02 . 1 . . . . . . . . 4198 1 1153 . 1 1 133 133 THR HG21 H 1 1.28 0.02 . 1 . . . . . . . . 4198 1 1154 . 1 1 133 133 THR HG22 H 1 1.28 0.02 . 1 . . . . . . . . 4198 1 1155 . 1 1 133 133 THR HG23 H 1 1.28 0.02 . 1 . . . . . . . . 4198 1 1156 . 1 1 133 133 THR C C 13 177.355 0.25 . 1 . . . . . . . . 4198 1 1157 . 1 1 133 133 THR CA C 13 66.569 0.25 . 1 . . . . . . . . 4198 1 1158 . 1 1 133 133 THR CB C 13 68.65 0.25 . 1 . . . . . . . . 4198 1 1159 . 1 1 133 133 THR CG2 C 13 21.5 0.25 . 1 . . . . . . . . 4198 1 1160 . 1 1 133 133 THR N N 15 117.2 0.1 . 1 . . . . . . . . 4198 1 1161 . 1 1 134 134 GLN H H 1 8.54 0.02 . 1 . . . . . . . . 4198 1 1162 . 1 1 134 134 GLN HA H 1 4.2 0.02 . 1 . . . . . . . . 4198 1 1163 . 1 1 134 134 GLN HB2 H 1 2.35 0.02 . 2 . . . . . . . . 4198 1 1164 . 1 1 134 134 GLN HB3 H 1 2.31 0.02 . 2 . . . . . . . . 4198 1 1165 . 1 1 134 134 GLN HG2 H 1 2.78 0.02 . 2 . . . . . . . . 4198 1 1166 . 1 1 134 134 GLN HG3 H 1 2.44 0.02 . 2 . . . . . . . . 4198 1 1167 . 1 1 134 134 GLN HE21 H 1 7.32 0.02 . 2 . . . . . . . . 4198 1 1168 . 1 1 134 134 GLN HE22 H 1 6.86 0.02 . 2 . . . . . . . . 4198 1 1169 . 1 1 134 134 GLN C C 13 178.212 0.25 . 1 . . . . . . . . 4198 1 1170 . 1 1 134 134 GLN CA C 13 58.905 0.25 . 1 . . . . . . . . 4198 1 1171 . 1 1 134 134 GLN CB C 13 28.055 0.25 . 1 . . . . . . . . 4198 1 1172 . 1 1 134 134 GLN CG C 13 33.892 0.25 . 1 . . . . . . . . 4198 1 1173 . 1 1 134 134 GLN N N 15 121.317 0.1 . 1 . . . . . . . . 4198 1 1174 . 1 1 134 134 GLN NE2 N 15 114.35 0.1 . 1 . . . . . . . . 4198 1 1175 . 1 1 135 135 HIS H H 1 8.763 0.02 . 1 . . . . . . . . 4198 1 1176 . 1 1 135 135 HIS HA H 1 3.92 0.02 . 1 . . . . . . . . 4198 1 1177 . 1 1 135 135 HIS HB2 H 1 3.31 0.02 . 2 . . . . . . . . 4198 1 1178 . 1 1 135 135 HIS HB3 H 1 3.1 0.02 . 2 . . . . . . . . 4198 1 1179 . 1 1 135 135 HIS HE1 H 1 7.63 0.02 . 1 . . . . . . . . 4198 1 1180 . 1 1 135 135 HIS C C 13 177.99 0.25 . 1 . . . . . . . . 4198 1 1181 . 1 1 135 135 HIS CA C 13 62.37 0.25 . 1 . . . . . . . . 4198 1 1182 . 1 1 135 135 HIS CB C 13 31.3 0.25 . 1 . . . . . . . . 4198 1 1183 . 1 1 135 135 HIS CE1 C 13 138.72 0.25 . 1 . . . . . . . . 4198 1 1184 . 1 1 135 135 HIS N N 15 118.965 0.1 . 1 . . . . . . . . 4198 1 1185 . 1 1 136 136 SER H H 1 8.63 0.02 . 1 . . . . . . . . 4198 1 1186 . 1 1 136 136 SER HA H 1 4.14 0.02 . 1 . . . . . . . . 4198 1 1187 . 1 1 136 136 SER C C 13 177.107 0.25 . 1 . . . . . . . . 4198 1 1188 . 1 1 136 136 SER CA C 13 61.51 0.25 . 1 . . . . . . . . 4198 1 1189 . 1 1 136 136 SER CB C 13 61.9 0.25 . 1 . . . . . . . . 4198 1 1190 . 1 1 136 136 SER N N 15 116.02 0.1 . 1 . . . . . . . . 4198 1 1191 . 1 1 137 137 THR H H 1 8.338 0.02 . 1 . . . . . . . . 4198 1 1192 . 1 1 137 137 THR HA H 1 3.96 0.02 . 1 . . . . . . . . 4198 1 1193 . 1 1 137 137 THR HB H 1 4.28 0.02 . 1 . . . . . . . . 4198 1 1194 . 1 1 137 137 THR HG21 H 1 1.26 0.02 . 1 . . . . . . . . 4198 1 1195 . 1 1 137 137 THR HG22 H 1 1.26 0.02 . 1 . . . . . . . . 4198 1 1196 . 1 1 137 137 THR HG23 H 1 1.26 0.02 . 1 . . . . . . . . 4198 1 1197 . 1 1 137 137 THR C C 13 176.77 0.25 . 1 . . . . . . . . 4198 1 1198 . 1 1 137 137 THR CA C 13 66.44 0.25 . 1 . . . . . . . . 4198 1 1199 . 1 1 137 137 THR CB C 13 68.76 0.25 . 1 . . . . . . . . 4198 1 1200 . 1 1 137 137 THR CG2 C 13 21.31 0.25 . 1 . . . . . . . . 4198 1 1201 . 1 1 137 137 THR N N 15 118.672 0.1 . 1 . . . . . . . . 4198 1 1202 . 1 1 138 138 LEU H H 1 8.2 0.02 . 1 . . . . . . . . 4198 1 1203 . 1 1 138 138 LEU HA H 1 3.95 0.02 . 1 . . . . . . . . 4198 1 1204 . 1 1 138 138 LEU HB2 H 1 1.82 0.02 . 2 . . . . . . . . 4198 1 1205 . 1 1 138 138 LEU HB3 H 1 1.19 0.02 . 2 . . . . . . . . 4198 1 1206 . 1 1 138 138 LEU HG H 1 1.95 0.02 . 1 . . . . . . . . 4198 1 1207 . 1 1 138 138 LEU HD11 H 1 0.84 0.02 . 2 . . . . . . . . 4198 1 1208 . 1 1 138 138 LEU HD12 H 1 0.84 0.02 . 2 . . . . . . . . 4198 1 1209 . 1 1 138 138 LEU HD13 H 1 0.84 0.02 . 2 . . . . . . . . 4198 1 1210 . 1 1 138 138 LEU HD21 H 1 0.81 0.02 . 2 . . . . . . . . 4198 1 1211 . 1 1 138 138 LEU HD22 H 1 0.81 0.02 . 2 . . . . . . . . 4198 1 1212 . 1 1 138 138 LEU HD23 H 1 0.81 0.02 . 2 . . . . . . . . 4198 1 1213 . 1 1 138 138 LEU C C 13 178.27 0.25 . 1 . . . . . . . . 4198 1 1214 . 1 1 138 138 LEU CA C 13 57.655 0.25 . 1 . . . . . . . . 4198 1 1215 . 1 1 138 138 LEU CB C 13 42.909 0.25 . 1 . . . . . . . . 4198 1 1216 . 1 1 138 138 LEU CD1 C 13 25.9 0.25 . 2 . . . . . . . . 4198 1 1217 . 1 1 138 138 LEU CD2 C 13 22.02 0.25 . 2 . . . . . . . . 4198 1 1218 . 1 1 138 138 LEU N N 15 121.608 0.1 . 1 . . . . . . . . 4198 1 1219 . 1 1 139 139 SER H H 1 8.26 0.02 . 1 . . . . . . . . 4198 1 1220 . 1 1 139 139 SER HA H 1 4.03 0.02 . 1 . . . . . . . . 4198 1 1221 . 1 1 139 139 SER HB2 H 1 3.78 0.02 . 1 . . . . . . . . 4198 1 1222 . 1 1 139 139 SER HB3 H 1 3.78 0.02 . 1 . . . . . . . . 4198 1 1223 . 1 1 139 139 SER C C 13 175.865 0.25 . 1 . . . . . . . . 4198 1 1224 . 1 1 139 139 SER CA C 13 62.45 0.25 . 1 . . . . . . . . 4198 1 1225 . 1 1 139 139 SER CB C 13 62.5 0.25 . 1 . . . . . . . . 4198 1 1226 . 1 1 139 139 SER N N 15 113.67 0.1 . 1 . . . . . . . . 4198 1 1227 . 1 1 140 140 ARG H H 1 7.994 0.02 . 1 . . . . . . . . 4198 1 1228 . 1 1 140 140 ARG HA H 1 4.05 0.02 . 1 . . . . . . . . 4198 1 1229 . 1 1 140 140 ARG HB2 H 1 1.95 0.02 . 1 . . . . . . . . 4198 1 1230 . 1 1 140 140 ARG HB3 H 1 1.95 0.02 . 1 . . . . . . . . 4198 1 1231 . 1 1 140 140 ARG HG2 H 1 1.78 0.02 . 2 . . . . . . . . 4198 1 1232 . 1 1 140 140 ARG HG3 H 1 1.63 0.02 . 2 . . . . . . . . 4198 1 1233 . 1 1 140 140 ARG HD2 H 1 3.19 0.02 . 1 . . . . . . . . 4198 1 1234 . 1 1 140 140 ARG HD3 H 1 3.19 0.02 . 1 . . . . . . . . 4198 1 1235 . 1 1 140 140 ARG C C 13 178.543 0.25 . 1 . . . . . . . . 4198 1 1236 . 1 1 140 140 ARG CA C 13 59.3 0.25 . 1 . . . . . . . . 4198 1 1237 . 1 1 140 140 ARG CB C 13 29.5 0.25 . 1 . . . . . . . . 4198 1 1238 . 1 1 140 140 ARG CG C 13 27.2 0.25 . 1 . . . . . . . . 4198 1 1239 . 1 1 140 140 ARG CD C 13 43.24 0.25 . 1 . . . . . . . . 4198 1 1240 . 1 1 140 140 ARG N N 15 120.434 0.1 . 1 . . . . . . . . 4198 1 1241 . 1 1 141 141 LYS H H 1 7.814 0.02 . 1 . . . . . . . . 4198 1 1242 . 1 1 141 141 LYS HA H 1 4.19 0.02 . 1 . . . . . . . . 4198 1 1243 . 1 1 141 141 LYS HB2 H 1 1.99 0.02 . 1 . . . . . . . . 4198 1 1244 . 1 1 141 141 LYS HB3 H 1 1.99 0.02 . 1 . . . . . . . . 4198 1 1245 . 1 1 141 141 LYS HG2 H 1 1.55 0.02 . 1 . . . . . . . . 4198 1 1246 . 1 1 141 141 LYS HG3 H 1 1.55 0.02 . 1 . . . . . . . . 4198 1 1247 . 1 1 141 141 LYS HD2 H 1 1.73 0.02 . 1 . . . . . . . . 4198 1 1248 . 1 1 141 141 LYS HD3 H 1 1.73 0.02 . 1 . . . . . . . . 4198 1 1249 . 1 1 141 141 LYS HE2 H 1 2.86 0.02 . 1 . . . . . . . . 4198 1 1250 . 1 1 141 141 LYS HE3 H 1 2.86 0.02 . 1 . . . . . . . . 4198 1 1251 . 1 1 141 141 LYS C C 13 178.345 0.25 . 1 . . . . . . . . 4198 1 1252 . 1 1 141 141 LYS CA C 13 58.455 0.25 . 1 . . . . . . . . 4198 1 1253 . 1 1 141 141 LYS CB C 13 31.96 0.25 . 1 . . . . . . . . 4198 1 1254 . 1 1 141 141 LYS CG C 13 24.93 0.25 . 1 . . . . . . . . 4198 1 1255 . 1 1 141 141 LYS CD C 13 29.1 0.25 . 1 . . . . . . . . 4198 1 1256 . 1 1 141 141 LYS N N 15 119.406 0.1 . 1 . . . . . . . . 4198 1 1257 . 1 1 142 142 PHE H H 1 8.496 0.02 . 1 . . . . . . . . 4198 1 1258 . 1 1 142 142 PHE HA H 1 4.403 0.02 . 1 . . . . . . . . 4198 1 1259 . 1 1 142 142 PHE HB2 H 1 3.26 0.02 . 2 . . . . . . . . 4198 1 1260 . 1 1 142 142 PHE HB3 H 1 3.15 0.02 . 2 . . . . . . . . 4198 1 1261 . 1 1 142 142 PHE HD1 H 1 7.16 0.02 . 1 . . . . . . . . 4198 1 1262 . 1 1 142 142 PHE HD2 H 1 7.16 0.02 . 1 . . . . . . . . 4198 1 1263 . 1 1 142 142 PHE HE1 H 1 7.27 0.02 . 1 . . . . . . . . 4198 1 1264 . 1 1 142 142 PHE HE2 H 1 7.27 0.02 . 1 . . . . . . . . 4198 1 1265 . 1 1 142 142 PHE HZ H 1 7.32 0.02 . 1 . . . . . . . . 4198 1 1266 . 1 1 142 142 PHE C C 13 176.459 0.25 . 1 . . . . . . . . 4198 1 1267 . 1 1 142 142 PHE CA C 13 59.73 0.25 . 1 . . . . . . . . 4198 1 1268 . 1 1 142 142 PHE CB C 13 38.861 0.25 . 1 . . . . . . . . 4198 1 1269 . 1 1 142 142 PHE CD1 C 13 131.13 0.25 . 1 . . . . . . . . 4198 1 1270 . 1 1 142 142 PHE CD2 C 13 131.13 0.25 . 1 . . . . . . . . 4198 1 1271 . 1 1 142 142 PHE CE1 C 13 130.73 0.25 . 1 . . . . . . . . 4198 1 1272 . 1 1 142 142 PHE CE2 C 13 130.73 0.25 . 1 . . . . . . . . 4198 1 1273 . 1 1 142 142 PHE N N 15 118.965 0.1 . 1 . . . . . . . . 4198 1 1274 . 1 1 143 143 VAL H H 1 8.344 0.02 . 1 . . . . . . . . 4198 1 1275 . 1 1 143 143 VAL HA H 1 3.32 0.02 . 1 . . . . . . . . 4198 1 1276 . 1 1 143 143 VAL HB H 1 2.2 0.02 . 1 . . . . . . . . 4198 1 1277 . 1 1 143 143 VAL HG11 H 1 1.08 0.02 . 2 . . . . . . . . 4198 1 1278 . 1 1 143 143 VAL HG12 H 1 1.08 0.02 . 2 . . . . . . . . 4198 1 1279 . 1 1 143 143 VAL HG13 H 1 1.08 0.02 . 2 . . . . . . . . 4198 1 1280 . 1 1 143 143 VAL HG21 H 1 0.9 0.02 . 2 . . . . . . . . 4198 1 1281 . 1 1 143 143 VAL HG22 H 1 0.9 0.02 . 2 . . . . . . . . 4198 1 1282 . 1 1 143 143 VAL HG23 H 1 0.9 0.02 . 2 . . . . . . . . 4198 1 1283 . 1 1 143 143 VAL C C 13 179.4 0.25 . 1 . . . . . . . . 4198 1 1284 . 1 1 143 143 VAL CA C 13 66.482 0.25 . 1 . . . . . . . . 4198 1 1285 . 1 1 143 143 VAL CB C 13 31.4 0.25 . 1 . . . . . . . . 4198 1 1286 . 1 1 143 143 VAL CG1 C 13 23.01 0.25 . 1 . . . . . . . . 4198 1 1287 . 1 1 143 143 VAL CG2 C 13 21.02 0.25 . 1 . . . . . . . . 4198 1 1288 . 1 1 143 143 VAL N N 15 118.672 0.1 . 1 . . . . . . . . 4198 1 1289 . 1 1 144 144 GLU H H 1 8.2 0.02 . 1 . . . . . . . . 4198 1 1290 . 1 1 144 144 GLU HA H 1 4.02 0.02 . 1 . . . . . . . . 4198 1 1291 . 1 1 144 144 GLU HB2 H 1 2.26 0.02 . 2 . . . . . . . . 4198 1 1292 . 1 1 144 144 GLU HB3 H 1 2.18 0.02 . 2 . . . . . . . . 4198 1 1293 . 1 1 144 144 GLU HG2 H 1 2.49 0.02 . 2 . . . . . . . . 4198 1 1294 . 1 1 144 144 GLU HG3 H 1 2.24 0.02 . 2 . . . . . . . . 4198 1 1295 . 1 1 144 144 GLU C C 13 179.813 0.25 . 1 . . . . . . . . 4198 1 1296 . 1 1 144 144 GLU CA C 13 59.781 0.25 . 1 . . . . . . . . 4198 1 1297 . 1 1 144 144 GLU CB C 13 29.447 0.25 . 1 . . . . . . . . 4198 1 1298 . 1 1 144 144 GLU CG C 13 36.398 0.25 . 1 . . . . . . . . 4198 1 1299 . 1 1 144 144 GLU N N 15 121.46 0.1 . 1 . . . . . . . . 4198 1 1300 . 1 1 145 145 VAL H H 1 8.268 0.02 . 1 . . . . . . . . 4198 1 1301 . 1 1 145 145 VAL HA H 1 4.03 0.02 . 1 . . . . . . . . 4198 1 1302 . 1 1 145 145 VAL HB H 1 2.18 0.02 . 1 . . . . . . . . 4198 1 1303 . 1 1 145 145 VAL HG11 H 1 1.14 0.02 . 2 . . . . . . . . 4198 1 1304 . 1 1 145 145 VAL HG12 H 1 1.14 0.02 . 2 . . . . . . . . 4198 1 1305 . 1 1 145 145 VAL HG13 H 1 1.14 0.02 . 2 . . . . . . . . 4198 1 1306 . 1 1 145 145 VAL HG21 H 1 1.07 0.02 . 2 . . . . . . . . 4198 1 1307 . 1 1 145 145 VAL HG22 H 1 1.07 0.02 . 2 . . . . . . . . 4198 1 1308 . 1 1 145 145 VAL HG23 H 1 1.07 0.02 . 2 . . . . . . . . 4198 1 1309 . 1 1 145 145 VAL C C 13 178.35 0.25 . 1 . . . . . . . . 4198 1 1310 . 1 1 145 145 VAL CA C 13 65.648 0.25 . 1 . . . . . . . . 4198 1 1311 . 1 1 145 145 VAL CB C 13 31.883 0.25 . 1 . . . . . . . . 4198 1 1312 . 1 1 145 145 VAL CG1 C 13 23.055 0.25 . 1 . . . . . . . . 4198 1 1313 . 1 1 145 145 VAL CG2 C 13 21.29 0.25 . 1 . . . . . . . . 4198 1 1314 . 1 1 145 145 VAL N N 15 120.14 0.1 . 1 . . . . . . . . 4198 1 1315 . 1 1 146 146 MET H H 1 8.18 0.02 . 1 . . . . . . . . 4198 1 1316 . 1 1 146 146 MET HA H 1 4.66 0.02 . 1 . . . . . . . . 4198 1 1317 . 1 1 146 146 MET HB2 H 1 1.81 0.02 . 1 . . . . . . . . 4198 1 1318 . 1 1 146 146 MET HB3 H 1 1.81 0.02 . 1 . . . . . . . . 4198 1 1319 . 1 1 146 146 MET HG2 H 1 1.93 0.02 . 2 . . . . . . . . 4198 1 1320 . 1 1 146 146 MET HG3 H 1 1.65 0.02 . 2 . . . . . . . . 4198 1 1321 . 1 1 146 146 MET HE1 H 1 1.78 0.02 . 1 . . . . . . . . 4198 1 1322 . 1 1 146 146 MET HE2 H 1 1.78 0.02 . 1 . . . . . . . . 4198 1 1323 . 1 1 146 146 MET HE3 H 1 1.78 0.02 . 1 . . . . . . . . 4198 1 1324 . 1 1 146 146 MET C C 13 179.945 0.25 . 1 . . . . . . . . 4198 1 1325 . 1 1 146 146 MET CA C 13 55.566 0.25 . 1 . . . . . . . . 4198 1 1326 . 1 1 146 146 MET CB C 13 28.57 0.25 . 1 . . . . . . . . 4198 1 1327 . 1 1 146 146 MET CG C 13 32.36 0.25 . 1 . . . . . . . . 4198 1 1328 . 1 1 146 146 MET CE C 13 15.8 0.25 . 1 . . . . . . . . 4198 1 1329 . 1 1 146 146 MET N N 15 118.08 0.1 . 1 . . . . . . . . 4198 1 1330 . 1 1 147 147 SER H H 1 8.497 0.02 . 1 . . . . . . . . 4198 1 1331 . 1 1 147 147 SER HA H 1 4.32 0.02 . 1 . . . . . . . . 4198 1 1332 . 1 1 147 147 SER HB2 H 1 4.04 0.02 . 1 . . . . . . . . 4198 1 1333 . 1 1 147 147 SER HB3 H 1 4.04 0.02 . 1 . . . . . . . . 4198 1 1334 . 1 1 147 147 SER C C 13 177.341 0.25 . 1 . . . . . . . . 4198 1 1335 . 1 1 147 147 SER CA C 13 62.24 0.25 . 1 . . . . . . . . 4198 1 1336 . 1 1 147 147 SER CB C 13 61.88 0.25 . 1 . . . . . . . . 4198 1 1337 . 1 1 147 147 SER N N 15 118.231 0.1 . 1 . . . . . . . . 4198 1 1338 . 1 1 148 148 GLU H H 1 7.732 0.02 . 1 . . . . . . . . 4198 1 1339 . 1 1 148 148 GLU HA H 1 4.23 0.02 . 1 . . . . . . . . 4198 1 1340 . 1 1 148 148 GLU HB2 H 1 2.27 0.02 . 2 . . . . . . . . 4198 1 1341 . 1 1 148 148 GLU HB3 H 1 2.18 0.02 . 2 . . . . . . . . 4198 1 1342 . 1 1 148 148 GLU HG2 H 1 2.3 0.02 . 1 . . . . . . . . 4198 1 1343 . 1 1 148 148 GLU HG3 H 1 2.3 0.02 . 1 . . . . . . . . 4198 1 1344 . 1 1 148 148 GLU C C 13 179.53 0.25 . 1 . . . . . . . . 4198 1 1345 . 1 1 148 148 GLU CA C 13 58.99 0.25 . 1 . . . . . . . . 4198 1 1346 . 1 1 148 148 GLU CB C 13 28.966 0.25 . 1 . . . . . . . . 4198 1 1347 . 1 1 148 148 GLU CG C 13 35.59 0.25 . 1 . . . . . . . . 4198 1 1348 . 1 1 148 148 GLU N N 15 123.861 0.1 . 1 . . . . . . . . 4198 1 1349 . 1 1 149 149 TYR H H 1 8.396 0.02 . 1 . . . . . . . . 4198 1 1350 . 1 1 149 149 TYR HA H 1 4.25 0.02 . 1 . . . . . . . . 4198 1 1351 . 1 1 149 149 TYR HB2 H 1 3.24 0.02 . 2 . . . . . . . . 4198 1 1352 . 1 1 149 149 TYR HB3 H 1 3.18 0.02 . 2 . . . . . . . . 4198 1 1353 . 1 1 149 149 TYR HD1 H 1 6.99 0.02 . 1 . . . . . . . . 4198 1 1354 . 1 1 149 149 TYR HD2 H 1 6.99 0.02 . 1 . . . . . . . . 4198 1 1355 . 1 1 149 149 TYR HE1 H 1 6.66 0.02 . 1 . . . . . . . . 4198 1 1356 . 1 1 149 149 TYR HE2 H 1 6.66 0.02 . 1 . . . . . . . . 4198 1 1357 . 1 1 149 149 TYR C C 13 177.464 0.25 . 1 . . . . . . . . 4198 1 1358 . 1 1 149 149 TYR CA C 13 60.264 0.25 . 1 . . . . . . . . 4198 1 1359 . 1 1 149 149 TYR CB C 13 37.504 0.25 . 1 . . . . . . . . 4198 1 1360 . 1 1 149 149 TYR CD1 C 13 132.79 0.25 . 1 . . . . . . . . 4198 1 1361 . 1 1 149 149 TYR CD2 C 13 132.79 0.25 . 1 . . . . . . . . 4198 1 1362 . 1 1 149 149 TYR CE1 C 13 118.19 0.25 . 1 . . . . . . . . 4198 1 1363 . 1 1 149 149 TYR CE2 C 13 118.19 0.25 . 1 . . . . . . . . 4198 1 1364 . 1 1 149 149 TYR N N 15 121.005 0.1 . 1 . . . . . . . . 4198 1 1365 . 1 1 150 150 ASN H H 1 8.8 0.02 . 1 . . . . . . . . 4198 1 1366 . 1 1 150 150 ASN HA H 1 4.13 0.02 . 1 . . . . . . . . 4198 1 1367 . 1 1 150 150 ASN HB2 H 1 2.84 0.02 . 2 . . . . . . . . 4198 1 1368 . 1 1 150 150 ASN HB3 H 1 2.77 0.02 . 2 . . . . . . . . 4198 1 1369 . 1 1 150 150 ASN HD21 H 1 7.57 0.02 . 2 . . . . . . . . 4198 1 1370 . 1 1 150 150 ASN HD22 H 1 6.83 0.02 . 2 . . . . . . . . 4198 1 1371 . 1 1 150 150 ASN C C 13 177.733 0.25 . 1 . . . . . . . . 4198 1 1372 . 1 1 150 150 ASN CA C 13 56 0.25 . 1 . . . . . . . . 4198 1 1373 . 1 1 150 150 ASN CB C 13 37.877 0.25 . 1 . . . . . . . . 4198 1 1374 . 1 1 150 150 ASN N N 15 119.112 0.1 . 1 . . . . . . . . 4198 1 1375 . 1 1 150 150 ASN ND2 N 15 115.1 0.1 . 1 . . . . . . . . 4198 1 1376 . 1 1 151 151 ALA H H 1 8.011 0.02 . 1 . . . . . . . . 4198 1 1377 . 1 1 151 151 ALA HA H 1 4.15 0.02 . 1 . . . . . . . . 4198 1 1378 . 1 1 151 151 ALA HB1 H 1 1.5 0.02 . 1 . . . . . . . . 4198 1 1379 . 1 1 151 151 ALA HB2 H 1 1.5 0.02 . 1 . . . . . . . . 4198 1 1380 . 1 1 151 151 ALA HB3 H 1 1.5 0.02 . 1 . . . . . . . . 4198 1 1381 . 1 1 151 151 ALA C C 13 179.76 0.25 . 1 . . . . . . . . 4198 1 1382 . 1 1 151 151 ALA CA C 13 54.86 0.25 . 1 . . . . . . . . 4198 1 1383 . 1 1 151 151 ALA CB C 13 17.88 0.25 . 1 . . . . . . . . 4198 1 1384 . 1 1 151 151 ALA N N 15 122.926 0.1 . 1 . . . . . . . . 4198 1 1385 . 1 1 152 152 THR H H 1 7.85 0.02 . 1 . . . . . . . . 4198 1 1386 . 1 1 152 152 THR HA H 1 4.203 0.02 . 1 . . . . . . . . 4198 1 1387 . 1 1 152 152 THR HB H 1 4.26 0.02 . 1 . . . . . . . . 4198 1 1388 . 1 1 152 152 THR HG21 H 1 1.32 0.02 . 1 . . . . . . . . 4198 1 1389 . 1 1 152 152 THR HG22 H 1 1.32 0.02 . 1 . . . . . . . . 4198 1 1390 . 1 1 152 152 THR HG23 H 1 1.32 0.02 . 1 . . . . . . . . 4198 1 1391 . 1 1 152 152 THR C C 13 175.999 0.25 . 1 . . . . . . . . 4198 1 1392 . 1 1 152 152 THR CA C 13 65.239 0.25 . 1 . . . . . . . . 4198 1 1393 . 1 1 152 152 THR CB C 13 68.893 0.25 . 1 . . . . . . . . 4198 1 1394 . 1 1 152 152 THR CG2 C 13 21.484 0.25 . 1 . . . . . . . . 4198 1 1395 . 1 1 152 152 THR N N 15 113.67 0.1 . 1 . . . . . . . . 4198 1 1396 . 1 1 153 153 GLN H H 1 7.903 0.02 . 1 . . . . . . . . 4198 1 1397 . 1 1 153 153 GLN HA H 1 4.03 0.02 . 1 . . . . . . . . 4198 1 1398 . 1 1 153 153 GLN HB2 H 1 1.95 0.02 . 2 . . . . . . . . 4198 1 1399 . 1 1 153 153 GLN HB3 H 1 1.89 0.02 . 2 . . . . . . . . 4198 1 1400 . 1 1 153 153 GLN HG2 H 1 2.04 0.02 . 2 . . . . . . . . 4198 1 1401 . 1 1 153 153 GLN HG3 H 1 1.97 0.02 . 2 . . . . . . . . 4198 1 1402 . 1 1 153 153 GLN HE21 H 1 6.61 0.02 . 2 . . . . . . . . 4198 1 1403 . 1 1 153 153 GLN HE22 H 1 6.53 0.02 . 2 . . . . . . . . 4198 1 1404 . 1 1 153 153 GLN C C 13 177.6 0.25 . 1 . . . . . . . . 4198 1 1405 . 1 1 153 153 GLN CA C 13 57.979 0.25 . 1 . . . . . . . . 4198 1 1406 . 1 1 153 153 GLN CB C 13 29.138 0.25 . 1 . . . . . . . . 4198 1 1407 . 1 1 153 153 GLN CG C 13 33.87 0.25 . 1 . . . . . . . . 4198 1 1408 . 1 1 153 153 GLN N N 15 120.53 0.1 . 1 . . . . . . . . 4198 1 1409 . 1 1 153 153 GLN NE2 N 15 113.79 0.1 . 1 . . . . . . . . 4198 1 1410 . 1 1 154 154 SER H H 1 8.02 0.02 . 1 . . . . . . . . 4198 1 1411 . 1 1 154 154 SER HA H 1 4.136 0.02 . 1 . . . . . . . . 4198 1 1412 . 1 1 154 154 SER HB2 H 1 3.89 0.02 . 1 . . . . . . . . 4198 1 1413 . 1 1 154 154 SER HB3 H 1 3.89 0.02 . 1 . . . . . . . . 4198 1 1414 . 1 1 154 154 SER C C 13 175.596 0.25 . 1 . . . . . . . . 4198 1 1415 . 1 1 154 154 SER CA C 13 60.791 0.25 . 1 . . . . . . . . 4198 1 1416 . 1 1 154 154 SER CB C 13 62.667 0.25 . 1 . . . . . . . . 4198 1 1417 . 1 1 154 154 SER N N 15 115.29 0.1 . 1 . . . . . . . . 4198 1 1418 . 1 1 155 155 ASP H H 1 7.957 0.02 . 1 . . . . . . . . 4198 1 1419 . 1 1 155 155 ASP HA H 1 4.4 0.02 . 1 . . . . . . . . 4198 1 1420 . 1 1 155 155 ASP HB2 H 1 2.69 0.02 . 2 . . . . . . . . 4198 1 1421 . 1 1 155 155 ASP HB3 H 1 2.65 0.02 . 2 . . . . . . . . 4198 1 1422 . 1 1 155 155 ASP C C 13 176.98 0.25 . 1 . . . . . . . . 4198 1 1423 . 1 1 155 155 ASP CA C 13 56.25 0.25 . 1 . . . . . . . . 4198 1 1424 . 1 1 155 155 ASP CB C 13 41.381 0.25 . 1 . . . . . . . . 4198 1 1425 . 1 1 155 155 ASP N N 15 121.462 0.1 . 1 . . . . . . . . 4198 1 1426 . 1 1 156 156 TYR H H 1 7.839 0.02 . 1 . . . . . . . . 4198 1 1427 . 1 1 156 156 TYR HA H 1 4.11 0.02 . 1 . . . . . . . . 4198 1 1428 . 1 1 156 156 TYR HB2 H 1 2.66 0.02 . 2 . . . . . . . . 4198 1 1429 . 1 1 156 156 TYR HB3 H 1 2.54 0.02 . 2 . . . . . . . . 4198 1 1430 . 1 1 156 156 TYR HD1 H 1 6.77 0.02 . 1 . . . . . . . . 4198 1 1431 . 1 1 156 156 TYR HD2 H 1 6.77 0.02 . 1 . . . . . . . . 4198 1 1432 . 1 1 156 156 TYR HE1 H 1 6.64 0.02 . 1 . . . . . . . . 4198 1 1433 . 1 1 156 156 TYR HE2 H 1 6.64 0.02 . 1 . . . . . . . . 4198 1 1434 . 1 1 156 156 TYR C C 13 177.194 0.25 . 1 . . . . . . . . 4198 1 1435 . 1 1 156 156 TYR CA C 13 59.866 0.25 . 1 . . . . . . . . 4198 1 1436 . 1 1 156 156 TYR CB C 13 38.058 0.25 . 1 . . . . . . . . 4198 1 1437 . 1 1 156 156 TYR CD1 C 13 132.62 0.25 . 1 . . . . . . . . 4198 1 1438 . 1 1 156 156 TYR CD2 C 13 132.62 0.25 . 1 . . . . . . . . 4198 1 1439 . 1 1 156 156 TYR CE1 C 13 117.84 0.25 . 1 . . . . . . . . 4198 1 1440 . 1 1 156 156 TYR CE2 C 13 117.84 0.25 . 1 . . . . . . . . 4198 1 1441 . 1 1 156 156 TYR N N 15 118.7 0.1 . 1 . . . . . . . . 4198 1 1442 . 1 1 157 157 ARG H H 1 8.001 0.02 . 1 . . . . . . . . 4198 1 1443 . 1 1 157 157 ARG HA H 1 3.85 0.02 . 1 . . . . . . . . 4198 1 1444 . 1 1 157 157 ARG HB2 H 1 1.81 0.02 . 1 . . . . . . . . 4198 1 1445 . 1 1 157 157 ARG HB3 H 1 1.81 0.02 . 1 . . . . . . . . 4198 1 1446 . 1 1 157 157 ARG HG2 H 1 1.66 0.02 . 2 . . . . . . . . 4198 1 1447 . 1 1 157 157 ARG HG3 H 1 1.53 0.02 . 2 . . . . . . . . 4198 1 1448 . 1 1 157 157 ARG HD2 H 1 3.14 0.02 . 1 . . . . . . . . 4198 1 1449 . 1 1 157 157 ARG HD3 H 1 3.14 0.02 . 1 . . . . . . . . 4198 1 1450 . 1 1 157 157 ARG C C 13 177.584 0.25 . 1 . . . . . . . . 4198 1 1451 . 1 1 157 157 ARG CA C 13 57.721 0.25 . 1 . . . . . . . . 4198 1 1452 . 1 1 157 157 ARG CB C 13 30.354 0.25 . 1 . . . . . . . . 4198 1 1453 . 1 1 157 157 ARG CG C 13 27.288 0.25 . 1 . . . . . . . . 4198 1 1454 . 1 1 157 157 ARG CD C 13 43.198 0.25 . 1 . . . . . . . . 4198 1 1455 . 1 1 157 157 ARG N N 15 120.14 0.1 . 1 . . . . . . . . 4198 1 1456 . 1 1 158 158 GLU H H 1 7.969 0.02 . 1 . . . . . . . . 4198 1 1457 . 1 1 158 158 GLU HA H 1 4.084 0.02 . 1 . . . . . . . . 4198 1 1458 . 1 1 158 158 GLU HB2 H 1 2.03 0.02 . 1 . . . . . . . . 4198 1 1459 . 1 1 158 158 GLU HB3 H 1 2.03 0.02 . 1 . . . . . . . . 4198 1 1460 . 1 1 158 158 GLU HG2 H 1 2.27 0.02 . 1 . . . . . . . . 4198 1 1461 . 1 1 158 158 GLU HG3 H 1 2.27 0.02 . 1 . . . . . . . . 4198 1 1462 . 1 1 158 158 GLU C C 13 177.474 0.25 . 1 . . . . . . . . 4198 1 1463 . 1 1 158 158 GLU CA C 13 57.462 0.25 . 1 . . . . . . . . 4198 1 1464 . 1 1 158 158 GLU CB C 13 29.677 0.25 . 1 . . . . . . . . 4198 1 1465 . 1 1 158 158 GLU CG C 13 36.025 0.25 . 1 . . . . . . . . 4198 1 1466 . 1 1 158 158 GLU N N 15 118.672 0.1 . 1 . . . . . . . . 4198 1 1467 . 1 1 159 159 ARG H H 1 7.901 0.02 . 1 . . . . . . . . 4198 1 1468 . 1 1 159 159 ARG HA H 1 4.26 0.02 . 1 . . . . . . . . 4198 1 1469 . 1 1 159 159 ARG HB2 H 1 1.87 0.02 . 2 . . . . . . . . 4198 1 1470 . 1 1 159 159 ARG HB3 H 1 1.62 0.02 . 2 . . . . . . . . 4198 1 1471 . 1 1 159 159 ARG HG2 H 1 1.71 0.02 . 2 . . . . . . . . 4198 1 1472 . 1 1 159 159 ARG HG3 H 1 1.62 0.02 . 2 . . . . . . . . 4198 1 1473 . 1 1 159 159 ARG HD2 H 1 3.11 0.02 . 1 . . . . . . . . 4198 1 1474 . 1 1 159 159 ARG HD3 H 1 3.11 0.02 . 1 . . . . . . . . 4198 1 1475 . 1 1 159 159 ARG C C 13 176.43 0.25 . 1 . . . . . . . . 4198 1 1476 . 1 1 159 159 ARG CA C 13 56.559 0.25 . 1 . . . . . . . . 4198 1 1477 . 1 1 159 159 ARG CB C 13 31.152 0.25 . 1 . . . . . . . . 4198 1 1478 . 1 1 159 159 ARG CG C 13 27.439 0.25 . 1 . . . . . . . . 4198 1 1479 . 1 1 159 159 ARG CD C 13 43.384 0.25 . 1 . . . . . . . . 4198 1 1480 . 1 1 159 159 ARG N N 15 118.378 0.1 . 1 . . . . . . . . 4198 1 1481 . 1 1 160 160 SER H H 1 7.83 0.02 . 1 . . . . . . . . 4198 1 1482 . 1 1 160 160 SER HA H 1 4.28 0.02 . 1 . . . . . . . . 4198 1 1483 . 1 1 160 160 SER HB2 H 1 3.69 0.02 . 2 . . . . . . . . 4198 1 1484 . 1 1 160 160 SER HB3 H 1 3.54 0.02 . 2 . . . . . . . . 4198 1 1485 . 1 1 160 160 SER C C 13 173.29 0.25 . 1 . . . . . . . . 4198 1 1486 . 1 1 160 160 SER CA C 13 58.35 0.25 . 1 . . . . . . . . 4198 1 1487 . 1 1 160 160 SER CB C 13 63.6 0.25 . 1 . . . . . . . . 4198 1 1488 . 1 1 160 160 SER N N 15 115.58 0.1 . 1 . . . . . . . . 4198 1 1489 . 1 1 161 161 LYS H H 1 7.57 0.02 . 1 . . . . . . . . 4198 1 1490 . 1 1 161 161 LYS HA H 1 4.07 0.02 . 1 . . . . . . . . 4198 1 1491 . 1 1 161 161 LYS HB2 H 1 1.77 0.02 . 2 . . . . . . . . 4198 1 1492 . 1 1 161 161 LYS HB3 H 1 1.7 0.02 . 2 . . . . . . . . 4198 1 1493 . 1 1 161 161 LYS HG2 H 1 1.37 0.02 . 1 . . . . . . . . 4198 1 1494 . 1 1 161 161 LYS HG3 H 1 1.37 0.02 . 1 . . . . . . . . 4198 1 1495 . 1 1 161 161 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 4198 1 1496 . 1 1 161 161 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 4198 1 1497 . 1 1 161 161 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . 4198 1 1498 . 1 1 161 161 LYS HE3 H 1 2.94 0.02 . 1 . . . . . . . . 4198 1 1499 . 1 1 161 161 LYS C C 13 181.1 0.25 . 1 . . . . . . . . 4198 1 1500 . 1 1 161 161 LYS CA C 13 57.7 0.25 . 1 . . . . . . . . 4198 1 1501 . 1 1 161 161 LYS CB C 13 33.4 0.25 . 1 . . . . . . . . 4198 1 1502 . 1 1 161 161 LYS CG C 13 24.767 0.25 . 1 . . . . . . . . 4198 1 1503 . 1 1 161 161 LYS CD C 13 29.3 0.25 . 1 . . . . . . . . 4198 1 1504 . 1 1 161 161 LYS N N 15 127.83 0.1 . 1 . . . . . . . . 4198 1 stop_ save_