data_4335 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4335 _Entry.Title ; NMR Assignments, Secondary Structure and Global Fold of Calerythrin, an EF-hand Calcium-binding Protein from Saccharopolyspora erythraea. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-04-21 _Entry.Accession_date 1999-04-21 _Entry.Last_release_date 1999-12-22 _Entry.Original_release_date 1999-12-22 _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 Helena Aitio . . . 4335 2 Arto Annila . . . 4335 3 Sami Heikkinen . . . 4335 4 Eva Thulin . . . 4335 5 Torbjorn Drakenberg . . . 4335 6 Ilkka Kilpelainen . . . 4335 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4335 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 627 4335 '15N chemical shifts' 181 4335 '1H chemical shifts' 991 4335 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 . . 1999-12-22 1999-04-21 original author . 4335 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4335 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR Assignments, Secondary Structure and Global Fold of Calerythrin, an EF-hand Calcium-binding Protein from Saccharopolyspora erythraea. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 8 _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 2580 _Citation.Page_last 2588 _Citation.Year 1999 _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 Helena Aitio . . . 4335 1 2 Arto Annila . . . 4335 1 3 Sami Heikkinen . . . 4335 1 4 Eva Thulin . . . 4335 1 5 Torbjorn Drakenberg . . . 4335 1 6 Ilkka Kilpelainen . . . 4335 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'calcium-binding protein' 4335 1 calerythrin 4335 1 EF-hand 4335 1 'secondary structure' 4335 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_calerythin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_calerythin _Assembly.Entry_ID 4335 _Assembly.ID 1 _Assembly.Name calerythrin _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 'fully reduced' _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 4335 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 calerythrin 1 $calerythrin . . . native . . . . . 4335 1 2 Ca 2 $CA . . . native . . . . . 4335 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID calerythrin abbreviation 4335 1 calerythrin system 4335 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_calerythrin _Entity.Sf_category entity _Entity.Sf_framecode calerythrin _Entity.Entry_ID 4335 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name calerythrin _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 ; TTAIASDRLKKRFDRWDFDG NGALERADFEKEAQHIAEAF GKDAGAAEVQTLKNAFGGLF DYLAKEAGVGSDGSLTEEQF IRVTENLIFEQGEASFNRVL GPVVKGIVGMCDKNADGQIN ADEFAAWLTALGMSKAEAAE AFNQVDTNGNGELSLDELLT AVRDFHFGRLDVELLG ; _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 176 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 PDB 1NYA . "Nmr Solution Structure Of Calerythrin, An Ef-hand Calcium- Binding Protein" . . . . . 100.00 176 100.00 100.00 2.27e-120 . . . . 4335 1 2 no EMBL CAM02479 . "calcium binding protein [Saccharopolyspora erythraea NRRL 2338]" . . . . . 100.00 177 100.00 100.00 1.57e-120 . . . . 4335 1 3 no GB AAA26481 . "calcium binding protein [Saccharopolyspora erythraea]" . . . . . 100.00 177 98.86 98.86 1.88e-118 . . . . 4335 1 4 no GB EQD82838 . "Calerythrin [Saccharopolyspora erythraea D]" . . . . . 100.00 177 100.00 100.00 1.57e-120 . . . . 4335 1 5 no PRF 1311341A . "Ca binding protein [Saccharopolyspora erythraea]" . . . . . 100.00 177 98.86 98.86 1.88e-118 . . . . 4335 1 6 no REF WP_009945618 . "calcium-binding protein [Saccharopolyspora erythraea]" . . . . . 100.00 177 100.00 100.00 1.57e-120 . . . . 4335 1 7 no SP P06495 . "RecName: Full=Calerythrin; AltName: Full=Calcium-binding protein" . . . . . 100.00 177 98.86 98.86 1.88e-118 . . . . 4335 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID calerythrin abbreviation 4335 1 calerythrin common 4335 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 . THR . 4335 1 2 . THR . 4335 1 3 . ALA . 4335 1 4 . ILE . 4335 1 5 . ALA . 4335 1 6 . SER . 4335 1 7 . ASP . 4335 1 8 . ARG . 4335 1 9 . LEU . 4335 1 10 . LYS . 4335 1 11 . LYS . 4335 1 12 . ARG . 4335 1 13 . PHE . 4335 1 14 . ASP . 4335 1 15 . ARG . 4335 1 16 . TRP . 4335 1 17 . ASP . 4335 1 18 . PHE . 4335 1 19 . ASP . 4335 1 20 . GLY . 4335 1 21 . ASN . 4335 1 22 . GLY . 4335 1 23 . ALA . 4335 1 24 . LEU . 4335 1 25 . GLU . 4335 1 26 . ARG . 4335 1 27 . ALA . 4335 1 28 . ASP . 4335 1 29 . PHE . 4335 1 30 . GLU . 4335 1 31 . LYS . 4335 1 32 . GLU . 4335 1 33 . ALA . 4335 1 34 . GLN . 4335 1 35 . HIS . 4335 1 36 . ILE . 4335 1 37 . ALA . 4335 1 38 . GLU . 4335 1 39 . ALA . 4335 1 40 . PHE . 4335 1 41 . GLY . 4335 1 42 . LYS . 4335 1 43 . ASP . 4335 1 44 . ALA . 4335 1 45 . GLY . 4335 1 46 . ALA . 4335 1 47 . ALA . 4335 1 48 . GLU . 4335 1 49 . VAL . 4335 1 50 . GLN . 4335 1 51 . THR . 4335 1 52 . LEU . 4335 1 53 . LYS . 4335 1 54 . ASN . 4335 1 55 . ALA . 4335 1 56 . PHE . 4335 1 57 . GLY . 4335 1 58 . GLY . 4335 1 59 . LEU . 4335 1 60 . PHE . 4335 1 61 . ASP . 4335 1 62 . TYR . 4335 1 63 . LEU . 4335 1 64 . ALA . 4335 1 65 . LYS . 4335 1 66 . GLU . 4335 1 67 . ALA . 4335 1 68 . GLY . 4335 1 69 . VAL . 4335 1 70 . GLY . 4335 1 71 . SER . 4335 1 72 . ASP . 4335 1 73 . GLY . 4335 1 74 . SER . 4335 1 75 . LEU . 4335 1 76 . THR . 4335 1 77 . GLU . 4335 1 78 . GLU . 4335 1 79 . GLN . 4335 1 80 . PHE . 4335 1 81 . ILE . 4335 1 82 . ARG . 4335 1 83 . VAL . 4335 1 84 . THR . 4335 1 85 . GLU . 4335 1 86 . ASN . 4335 1 87 . LEU . 4335 1 88 . ILE . 4335 1 89 . PHE . 4335 1 90 . GLU . 4335 1 91 . GLN . 4335 1 92 . GLY . 4335 1 93 . GLU . 4335 1 94 . ALA . 4335 1 95 . SER . 4335 1 96 . PHE . 4335 1 97 . ASN . 4335 1 98 . ARG . 4335 1 99 . VAL . 4335 1 100 . LEU . 4335 1 101 . GLY . 4335 1 102 . PRO . 4335 1 103 . VAL . 4335 1 104 . VAL . 4335 1 105 . LYS . 4335 1 106 . GLY . 4335 1 107 . ILE . 4335 1 108 . VAL . 4335 1 109 . GLY . 4335 1 110 . MET . 4335 1 111 . CYS . 4335 1 112 . ASP . 4335 1 113 . LYS . 4335 1 114 . ASN . 4335 1 115 . ALA . 4335 1 116 . ASP . 4335 1 117 . GLY . 4335 1 118 . GLN . 4335 1 119 . ILE . 4335 1 120 . ASN . 4335 1 121 . ALA . 4335 1 122 . ASP . 4335 1 123 . GLU . 4335 1 124 . PHE . 4335 1 125 . ALA . 4335 1 126 . ALA . 4335 1 127 . TRP . 4335 1 128 . LEU . 4335 1 129 . THR . 4335 1 130 . ALA . 4335 1 131 . LEU . 4335 1 132 . GLY . 4335 1 133 . MET . 4335 1 134 . SER . 4335 1 135 . LYS . 4335 1 136 . ALA . 4335 1 137 . GLU . 4335 1 138 . ALA . 4335 1 139 . ALA . 4335 1 140 . GLU . 4335 1 141 . ALA . 4335 1 142 . PHE . 4335 1 143 . ASN . 4335 1 144 . GLN . 4335 1 145 . VAL . 4335 1 146 . ASP . 4335 1 147 . THR . 4335 1 148 . ASN . 4335 1 149 . GLY . 4335 1 150 . ASN . 4335 1 151 . GLY . 4335 1 152 . GLU . 4335 1 153 . LEU . 4335 1 154 . SER . 4335 1 155 . LEU . 4335 1 156 . ASP . 4335 1 157 . GLU . 4335 1 158 . LEU . 4335 1 159 . LEU . 4335 1 160 . THR . 4335 1 161 . ALA . 4335 1 162 . VAL . 4335 1 163 . ARG . 4335 1 164 . ASP . 4335 1 165 . PHE . 4335 1 166 . HIS . 4335 1 167 . PHE . 4335 1 168 . GLY . 4335 1 169 . ARG . 4335 1 170 . LEU . 4335 1 171 . ASP . 4335 1 172 . VAL . 4335 1 173 . GLU . 4335 1 174 . LEU . 4335 1 175 . LEU . 4335 1 176 . GLY . 4335 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 . THR 1 1 4335 1 . THR 2 2 4335 1 . ALA 3 3 4335 1 . ILE 4 4 4335 1 . ALA 5 5 4335 1 . SER 6 6 4335 1 . ASP 7 7 4335 1 . ARG 8 8 4335 1 . LEU 9 9 4335 1 . LYS 10 10 4335 1 . LYS 11 11 4335 1 . ARG 12 12 4335 1 . PHE 13 13 4335 1 . ASP 14 14 4335 1 . ARG 15 15 4335 1 . TRP 16 16 4335 1 . ASP 17 17 4335 1 . PHE 18 18 4335 1 . ASP 19 19 4335 1 . GLY 20 20 4335 1 . ASN 21 21 4335 1 . GLY 22 22 4335 1 . ALA 23 23 4335 1 . LEU 24 24 4335 1 . GLU 25 25 4335 1 . ARG 26 26 4335 1 . ALA 27 27 4335 1 . ASP 28 28 4335 1 . PHE 29 29 4335 1 . GLU 30 30 4335 1 . LYS 31 31 4335 1 . GLU 32 32 4335 1 . ALA 33 33 4335 1 . GLN 34 34 4335 1 . HIS 35 35 4335 1 . ILE 36 36 4335 1 . ALA 37 37 4335 1 . GLU 38 38 4335 1 . ALA 39 39 4335 1 . PHE 40 40 4335 1 . GLY 41 41 4335 1 . LYS 42 42 4335 1 . ASP 43 43 4335 1 . ALA 44 44 4335 1 . GLY 45 45 4335 1 . ALA 46 46 4335 1 . ALA 47 47 4335 1 . GLU 48 48 4335 1 . VAL 49 49 4335 1 . GLN 50 50 4335 1 . THR 51 51 4335 1 . LEU 52 52 4335 1 . LYS 53 53 4335 1 . ASN 54 54 4335 1 . ALA 55 55 4335 1 . PHE 56 56 4335 1 . GLY 57 57 4335 1 . GLY 58 58 4335 1 . LEU 59 59 4335 1 . PHE 60 60 4335 1 . ASP 61 61 4335 1 . TYR 62 62 4335 1 . LEU 63 63 4335 1 . ALA 64 64 4335 1 . LYS 65 65 4335 1 . GLU 66 66 4335 1 . ALA 67 67 4335 1 . GLY 68 68 4335 1 . VAL 69 69 4335 1 . GLY 70 70 4335 1 . SER 71 71 4335 1 . ASP 72 72 4335 1 . GLY 73 73 4335 1 . SER 74 74 4335 1 . LEU 75 75 4335 1 . THR 76 76 4335 1 . GLU 77 77 4335 1 . GLU 78 78 4335 1 . GLN 79 79 4335 1 . PHE 80 80 4335 1 . ILE 81 81 4335 1 . ARG 82 82 4335 1 . VAL 83 83 4335 1 . THR 84 84 4335 1 . GLU 85 85 4335 1 . ASN 86 86 4335 1 . LEU 87 87 4335 1 . ILE 88 88 4335 1 . PHE 89 89 4335 1 . GLU 90 90 4335 1 . GLN 91 91 4335 1 . GLY 92 92 4335 1 . GLU 93 93 4335 1 . ALA 94 94 4335 1 . SER 95 95 4335 1 . PHE 96 96 4335 1 . ASN 97 97 4335 1 . ARG 98 98 4335 1 . VAL 99 99 4335 1 . LEU 100 100 4335 1 . GLY 101 101 4335 1 . PRO 102 102 4335 1 . VAL 103 103 4335 1 . VAL 104 104 4335 1 . LYS 105 105 4335 1 . GLY 106 106 4335 1 . ILE 107 107 4335 1 . VAL 108 108 4335 1 . GLY 109 109 4335 1 . MET 110 110 4335 1 . CYS 111 111 4335 1 . ASP 112 112 4335 1 . LYS 113 113 4335 1 . ASN 114 114 4335 1 . ALA 115 115 4335 1 . ASP 116 116 4335 1 . GLY 117 117 4335 1 . GLN 118 118 4335 1 . ILE 119 119 4335 1 . ASN 120 120 4335 1 . ALA 121 121 4335 1 . ASP 122 122 4335 1 . GLU 123 123 4335 1 . PHE 124 124 4335 1 . ALA 125 125 4335 1 . ALA 126 126 4335 1 . TRP 127 127 4335 1 . LEU 128 128 4335 1 . THR 129 129 4335 1 . ALA 130 130 4335 1 . LEU 131 131 4335 1 . GLY 132 132 4335 1 . MET 133 133 4335 1 . SER 134 134 4335 1 . LYS 135 135 4335 1 . ALA 136 136 4335 1 . GLU 137 137 4335 1 . ALA 138 138 4335 1 . ALA 139 139 4335 1 . GLU 140 140 4335 1 . ALA 141 141 4335 1 . PHE 142 142 4335 1 . ASN 143 143 4335 1 . GLN 144 144 4335 1 . VAL 145 145 4335 1 . ASP 146 146 4335 1 . THR 147 147 4335 1 . ASN 148 148 4335 1 . GLY 149 149 4335 1 . ASN 150 150 4335 1 . GLY 151 151 4335 1 . GLU 152 152 4335 1 . LEU 153 153 4335 1 . SER 154 154 4335 1 . LEU 155 155 4335 1 . ASP 156 156 4335 1 . GLU 157 157 4335 1 . LEU 158 158 4335 1 . LEU 159 159 4335 1 . THR 160 160 4335 1 . ALA 161 161 4335 1 . VAL 162 162 4335 1 . ARG 163 163 4335 1 . ASP 164 164 4335 1 . PHE 165 165 4335 1 . HIS 166 166 4335 1 . PHE 167 167 4335 1 . GLY 168 168 4335 1 . ARG 169 169 4335 1 . LEU 170 170 4335 1 . ASP 171 171 4335 1 . VAL 172 172 4335 1 . GLU 173 173 4335 1 . LEU 174 174 4335 1 . LEU 175 175 4335 1 . GLY 176 176 4335 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 4335 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 4335 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 4335 2 CA 'Three letter code' 4335 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 4335 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 CA CA 4335 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4335 _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 $calerythrin . 1836 organism . 'Saccharopolyspora erythraea' 'Streptomyces erythraeus' . . Eubacteria . Saccharopolyspora erythraea . . . . . . . . . . . . . . . . . . . . . 4335 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 4335 _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 $calerythrin . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4335 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 4335 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 4335 CA [Ca++] SMILES CACTVS 3.341 4335 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 4335 CA [Ca+2] SMILES ACDLabs 10.04 4335 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 4335 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4335 CA InChI=1S/Ca/q+2 InChI InChI 1.03 4335 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 4335 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4335 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4335 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4335 _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 calerythrin '[U-13C; U-15N]' . . 1 $calerythrin . . 1.0 . . mM . . . . 4335 1 2 CaCl2 . . . . . . . 4 . . mM . . . . 4335 1 3 DTT . . . . . . . 10 . . mM . . . . 4335 1 4 H2O . . . . . . . 97 . . % . . . . 4335 1 5 D2O . . . . . . . 3 . . % . . . . 4335 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4335 _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 6.0 0.1 na 4335 1 temperature 318 0.5 K 4335 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4335 _Software.ID 1 _Software.Name FELIX _Software.Version 97.0 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4335 _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_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4335 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4335 _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_one Varian Unity . 500 . . . 4335 1 2 NMR_spectrometer_two Varian Unity . 600 . . . 4335 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 4335 _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 HNCACB . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4335 1 2 HN(CO)CACB . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4335 1 3 CC(CO)NH . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4335 1 4 HNCO . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4335 1 5 HCCH-TOCSY . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4335 1 6 '[15N]-edited NOESY' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4335 1 7 '[15N,15N]-edited NOESY' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4335 1 8 '[15N,13C]-edited NOESY' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4335 1 9 '[15N]-edited TOCSY' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4335 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4335 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4335 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4335 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4335 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4335 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4335 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '[15N]-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4335 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '[15N,15N]-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4335 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '[15N,13C]-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4335 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '[15N]-edited TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4335 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 H2O protons . . . . ppm 4.55 internal indirect 0.25144954 internal cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4335 1 H 1 H2O protons . . . . ppm 4.55 internal direct . internal cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4335 1 N 15 H2O protons . . . . ppm 4.55 internal indirect 0.101329 internal cylindrical parallel_to_Bo 1 $entry_citation . . 1 $entry_citation 4335 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4335 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _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 $sample_one . 4335 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 2 2 THR HA H 1 4.33 . . 1 . . . . . . . . 4335 1 2 . 1 1 2 2 THR HB H 1 4.25 . . 1 . . . . . . . . 4335 1 3 . 1 1 2 2 THR HG21 H 1 1.13 . . 1 . . . . . . . . 4335 1 4 . 1 1 2 2 THR HG22 H 1 1.13 . . 1 . . . . . . . . 4335 1 5 . 1 1 2 2 THR HG23 H 1 1.13 . . 1 . . . . . . . . 4335 1 6 . 1 1 2 2 THR CA C 13 61.8 . . 1 . . . . . . . . 4335 1 7 . 1 1 2 2 THR CB C 13 69.7 . . 1 . . . . . . . . 4335 1 8 . 1 1 2 2 THR CG2 C 13 21.3 . . 1 . . . . . . . . 4335 1 9 . 1 1 3 3 ALA H H 1 8.42 . . 1 . . . . . . . . 4335 1 10 . 1 1 3 3 ALA HA H 1 4.53 . . 1 . . . . . . . . 4335 1 11 . 1 1 3 3 ALA C C 13 178.7 . . 1 . . . . . . . . 4335 1 12 . 1 1 3 3 ALA CA C 13 54.0 . . 1 . . . . . . . . 4335 1 13 . 1 1 3 3 ALA CB C 13 18.9 . . 1 . . . . . . . . 4335 1 14 . 1 1 3 3 ALA N N 15 127.4 . . 1 . . . . . . . . 4335 1 15 . 1 1 4 4 ILE H H 1 7.91 . . 1 . . . . . . . . 4335 1 16 . 1 1 4 4 ILE HA H 1 4.02 . . 1 . . . . . . . . 4335 1 17 . 1 1 4 4 ILE HB H 1 1.77 . . 1 . . . . . . . . 4335 1 18 . 1 1 4 4 ILE HG12 H 1 1.43 . . 2 . . . . . . . . 4335 1 19 . 1 1 4 4 ILE HG13 H 1 1.09 . . 2 . . . . . . . . 4335 1 20 . 1 1 4 4 ILE HG21 H 1 0.78 . . 1 . . . . . . . . 4335 1 21 . 1 1 4 4 ILE HG22 H 1 0.78 . . 1 . . . . . . . . 4335 1 22 . 1 1 4 4 ILE HG23 H 1 0.78 . . 1 . . . . . . . . 4335 1 23 . 1 1 4 4 ILE HD11 H 1 0.78 . . 1 . . . . . . . . 4335 1 24 . 1 1 4 4 ILE HD12 H 1 0.78 . . 1 . . . . . . . . 4335 1 25 . 1 1 4 4 ILE HD13 H 1 0.78 . . 1 . . . . . . . . 4335 1 26 . 1 1 4 4 ILE C C 13 176.6 . . 1 . . . . . . . . 4335 1 27 . 1 1 4 4 ILE CA C 13 62.4 . . 1 . . . . . . . . 4335 1 28 . 1 1 4 4 ILE CB C 13 38.4 . . 1 . . . . . . . . 4335 1 29 . 1 1 4 4 ILE CG1 C 13 28.5 . . 1 . . . . . . . . 4335 1 30 . 1 1 4 4 ILE CG2 C 13 17.3 . . 1 . . . . . . . . 4335 1 31 . 1 1 4 4 ILE CD1 C 13 13.4 . . 1 . . . . . . . . 4335 1 32 . 1 1 4 4 ILE N N 15 119.5 . . 1 . . . . . . . . 4335 1 33 . 1 1 5 5 ALA H H 1 7.89 . . 1 . . . . . . . . 4335 1 34 . 1 1 5 5 ALA HA H 1 4.25 . . 1 . . . . . . . . 4335 1 35 . 1 1 5 5 ALA HB1 H 1 1.40 . . 1 . . . . . . . . 4335 1 36 . 1 1 5 5 ALA HB2 H 1 1.40 . . 1 . . . . . . . . 4335 1 37 . 1 1 5 5 ALA HB3 H 1 1.40 . . 1 . . . . . . . . 4335 1 38 . 1 1 5 5 ALA C C 13 179.6 . . 1 . . . . . . . . 4335 1 39 . 1 1 5 5 ALA CA C 13 54.1 . . 1 . . . . . . . . 4335 1 40 . 1 1 5 5 ALA CB C 13 18.6 . . 1 . . . . . . . . 4335 1 41 . 1 1 5 5 ALA N N 15 126.2 . . 1 . . . . . . . . 4335 1 42 . 1 1 6 6 SER H H 1 8.16 . . 1 . . . . . . . . 4335 1 43 . 1 1 6 6 SER HA H 1 4.14 . . 1 . . . . . . . . 4335 1 44 . 1 1 6 6 SER HB2 H 1 3.93 . . 1 . . . . . . . . 4335 1 45 . 1 1 6 6 SER HB3 H 1 3.93 . . 1 . . . . . . . . 4335 1 46 . 1 1 6 6 SER C C 13 176.3 . . 1 . . . . . . . . 4335 1 47 . 1 1 6 6 SER CA C 13 61.6 . . 1 . . . . . . . . 4335 1 48 . 1 1 6 6 SER CB C 13 62.8 . . 1 . . . . . . . . 4335 1 49 . 1 1 6 6 SER N N 15 115.9 . . 1 . . . . . . . . 4335 1 50 . 1 1 7 7 ASP H H 1 8.21 . . 1 . . . . . . . . 4335 1 51 . 1 1 7 7 ASP HA H 1 4.42 . . 1 . . . . . . . . 4335 1 52 . 1 1 7 7 ASP HB2 H 1 2.69 . . 1 . . . . . . . . 4335 1 53 . 1 1 7 7 ASP HB3 H 1 2.69 . . 1 . . . . . . . . 4335 1 54 . 1 1 7 7 ASP C C 13 178.7 . . 1 . . . . . . . . 4335 1 55 . 1 1 7 7 ASP CA C 13 57.5 . . 1 . . . . . . . . 4335 1 56 . 1 1 7 7 ASP CB C 13 41.1 . . 1 . . . . . . . . 4335 1 57 . 1 1 7 7 ASP N N 15 122.8 . . 1 . . . . . . . . 4335 1 58 . 1 1 8 8 ARG H H 1 7.99 . . 1 . . . . . . . . 4335 1 59 . 1 1 8 8 ARG HA H 1 3.99 . . 1 . . . . . . . . 4335 1 60 . 1 1 8 8 ARG HB2 H 1 1.87 . . 1 . . . . . . . . 4335 1 61 . 1 1 8 8 ARG HB3 H 1 1.87 . . 1 . . . . . . . . 4335 1 62 . 1 1 8 8 ARG C C 13 179.7 . . 1 . . . . . . . . 4335 1 63 . 1 1 8 8 ARG CA C 13 59.9 . . 1 . . . . . . . . 4335 1 64 . 1 1 8 8 ARG CB C 13 29.7 . . 1 . . . . . . . . 4335 1 65 . 1 1 8 8 ARG N N 15 119.1 . . 1 . . . . . . . . 4335 1 66 . 1 1 9 9 LEU H H 1 8.18 . . 1 . . . . . . . . 4335 1 67 . 1 1 9 9 LEU HA H 1 4.28 . . 1 . . . . . . . . 4335 1 68 . 1 1 9 9 LEU HB2 H 1 2.09 . . 2 . . . . . . . . 4335 1 69 . 1 1 9 9 LEU HB3 H 1 1.47 . . 2 . . . . . . . . 4335 1 70 . 1 1 9 9 LEU HG H 1 1.92 . . 1 . . . . . . . . 4335 1 71 . 1 1 9 9 LEU HD11 H 1 0.91 . . 2 . . . . . . . . 4335 1 72 . 1 1 9 9 LEU HD12 H 1 0.91 . . 2 . . . . . . . . 4335 1 73 . 1 1 9 9 LEU HD13 H 1 0.91 . . 2 . . . . . . . . 4335 1 74 . 1 1 9 9 LEU HD21 H 1 0.80 . . 2 . . . . . . . . 4335 1 75 . 1 1 9 9 LEU HD22 H 1 0.80 . . 2 . . . . . . . . 4335 1 76 . 1 1 9 9 LEU HD23 H 1 0.80 . . 2 . . . . . . . . 4335 1 77 . 1 1 9 9 LEU C C 13 178.5 . . 1 . . . . . . . . 4335 1 78 . 1 1 9 9 LEU CA C 13 58.0 . . 1 . . . . . . . . 4335 1 79 . 1 1 9 9 LEU CB C 13 42.4 . . 1 . . . . . . . . 4335 1 80 . 1 1 9 9 LEU CG C 13 27.8 . . 1 . . . . . . . . 4335 1 81 . 1 1 9 9 LEU CD1 C 13 26.0 . . 2 . . . . . . . . 4335 1 82 . 1 1 9 9 LEU CD2 C 13 23.4 . . 2 . . . . . . . . 4335 1 83 . 1 1 9 9 LEU N N 15 122.0 . . 1 . . . . . . . . 4335 1 84 . 1 1 10 10 LYS H H 1 8.18 . . 1 . . . . . . . . 4335 1 85 . 1 1 10 10 LYS HA H 1 3.97 . . 1 . . . . . . . . 4335 1 86 . 1 1 10 10 LYS HB2 H 1 2.00 . . 1 . . . . . . . . 4335 1 87 . 1 1 10 10 LYS HB3 H 1 2.00 . . 1 . . . . . . . . 4335 1 88 . 1 1 10 10 LYS C C 13 178.5 . . 1 . . . . . . . . 4335 1 89 . 1 1 10 10 LYS CA C 13 60.2 . . 1 . . . . . . . . 4335 1 90 . 1 1 10 10 LYS CB C 13 32.1 . . 1 . . . . . . . . 4335 1 91 . 1 1 10 10 LYS CG C 13 25.9 . . 1 . . . . . . . . 4335 1 92 . 1 1 10 10 LYS CD C 13 28.8 . . 1 . . . . . . . . 4335 1 93 . 1 1 10 10 LYS CE C 13 42.2 . . 1 . . . . . . . . 4335 1 94 . 1 1 10 10 LYS N N 15 122.8 . . 1 . . . . . . . . 4335 1 95 . 1 1 11 11 LYS H H 1 7.88 . . 1 . . . . . . . . 4335 1 96 . 1 1 11 11 LYS HA H 1 4.10 . . 1 . . . . . . . . 4335 1 97 . 1 1 11 11 LYS HB2 H 1 1.87 . . 1 . . . . . . . . 4335 1 98 . 1 1 11 11 LYS HB3 H 1 1.87 . . 1 . . . . . . . . 4335 1 99 . 1 1 11 11 LYS HE2 H 1 2.96 . . 9 . . . . . . . . 4335 1 100 . 1 1 11 11 LYS HE3 H 1 2.96 . . 9 . . . . . . . . 4335 1 101 . 1 1 11 11 LYS C C 13 178.8 . . 1 . . . . . . . . 4335 1 102 . 1 1 11 11 LYS CA C 13 59.3 . . 1 . . . . . . . . 4335 1 103 . 1 1 11 11 LYS CB C 13 32.2 . . 1 . . . . . . . . 4335 1 104 . 1 1 11 11 LYS CG C 13 25.8 . . 1 . . . . . . . . 4335 1 105 . 1 1 11 11 LYS CD C 13 29.0 . . 1 . . . . . . . . 4335 1 106 . 1 1 11 11 LYS CE C 13 42.6 . . 1 . . . . . . . . 4335 1 107 . 1 1 11 11 LYS N N 15 118.6 . . 1 . . . . . . . . 4335 1 108 . 1 1 12 12 ARG H H 1 7.47 . . 1 . . . . . . . . 4335 1 109 . 1 1 12 12 ARG HA H 1 3.52 . . 1 . . . . . . . . 4335 1 110 . 1 1 12 12 ARG HB2 H 1 1.88 . . 1 . . . . . . . . 4335 1 111 . 1 1 12 12 ARG HB3 H 1 1.88 . . 1 . . . . . . . . 4335 1 112 . 1 1 12 12 ARG C C 13 176.0 . . 1 . . . . . . . . 4335 1 113 . 1 1 12 12 ARG CA C 13 58.3 . . 1 . . . . . . . . 4335 1 114 . 1 1 12 12 ARG CB C 13 29.7 . . 1 . . . . . . . . 4335 1 115 . 1 1 12 12 ARG N N 15 120.5 . . 1 . . . . . . . . 4335 1 116 . 1 1 13 13 PHE H H 1 8.02 . . 1 . . . . . . . . 4335 1 117 . 1 1 13 13 PHE HA H 1 3.21 . . 1 . . . . . . . . 4335 1 118 . 1 1 13 13 PHE HB2 H 1 3.41 . . 2 . . . . . . . . 4335 1 119 . 1 1 13 13 PHE HB3 H 1 2.85 . . 2 . . . . . . . . 4335 1 120 . 1 1 13 13 PHE C C 13 175.2 . . 1 . . . . . . . . 4335 1 121 . 1 1 13 13 PHE CA C 13 62.1 . . 1 . . . . . . . . 4335 1 122 . 1 1 13 13 PHE CB C 13 38.4 . . 1 . . . . . . . . 4335 1 123 . 1 1 13 13 PHE N N 15 120.4 . . 1 . . . . . . . . 4335 1 124 . 1 1 14 14 ASP H H 1 7.73 . . 1 . . . . . . . . 4335 1 125 . 1 1 14 14 ASP HA H 1 4.60 . . 1 . . . . . . . . 4335 1 126 . 1 1 14 14 ASP HB2 H 1 3.31 . . 2 . . . . . . . . 4335 1 127 . 1 1 14 14 ASP HB3 H 1 2.95 . . 2 . . . . . . . . 4335 1 128 . 1 1 14 14 ASP C C 13 179.0 . . 1 . . . . . . . . 4335 1 129 . 1 1 14 14 ASP CA C 13 57.1 . . 1 . . . . . . . . 4335 1 130 . 1 1 14 14 ASP CB C 13 40.8 . . 1 . . . . . . . . 4335 1 131 . 1 1 14 14 ASP N N 15 116.0 . . 1 . . . . . . . . 4335 1 132 . 1 1 15 15 ARG H H 1 7.76 . . 1 . . . . . . . . 4335 1 133 . 1 1 15 15 ARG HA H 1 3.86 . . 1 . . . . . . . . 4335 1 134 . 1 1 15 15 ARG HB2 H 1 1.74 . . 1 . . . . . . . . 4335 1 135 . 1 1 15 15 ARG HB3 H 1 1.74 . . 1 . . . . . . . . 4335 1 136 . 1 1 15 15 ARG C C 13 177.7 . . 1 . . . . . . . . 4335 1 137 . 1 1 15 15 ARG CA C 13 58.6 . . 1 . . . . . . . . 4335 1 138 . 1 1 15 15 ARG CB C 13 30.5 . . 1 . . . . . . . . 4335 1 139 . 1 1 15 15 ARG N N 15 119.1 . . 1 . . . . . . . . 4335 1 140 . 1 1 16 16 TRP H H 1 7.88 . . 1 . . . . . . . . 4335 1 141 . 1 1 16 16 TRP HA H 1 4.45 . . 1 . . . . . . . . 4335 1 142 . 1 1 16 16 TRP HB2 H 1 2.94 . . 2 . . . . . . . . 4335 1 143 . 1 1 16 16 TRP HB3 H 1 2.70 . . 2 . . . . . . . . 4335 1 144 . 1 1 16 16 TRP C C 13 174.1 . . 1 . . . . . . . . 4335 1 145 . 1 1 16 16 TRP CA C 13 55.7 . . 1 . . . . . . . . 4335 1 146 . 1 1 16 16 TRP CB C 13 28.6 . . 1 . . . . . . . . 4335 1 147 . 1 1 16 16 TRP N N 15 118.9 . . 1 . . . . . . . . 4335 1 148 . 1 1 17 17 ASP H H 1 6.97 . . 1 . . . . . . . . 4335 1 149 . 1 1 17 17 ASP HA H 1 4.56 . . 1 . . . . . . . . 4335 1 150 . 1 1 17 17 ASP HB2 H 1 2.55 . . 2 . . . . . . . . 4335 1 151 . 1 1 17 17 ASP HB3 H 1 1.74 . . 2 . . . . . . . . 4335 1 152 . 1 1 17 17 ASP C C 13 177.6 . . 1 . . . . . . . . 4335 1 153 . 1 1 17 17 ASP CA C 13 52.3 . . 1 . . . . . . . . 4335 1 154 . 1 1 17 17 ASP CB C 13 37.9 . . 1 . . . . . . . . 4335 1 155 . 1 1 17 17 ASP N N 15 118.0 . . 1 . . . . . . . . 4335 1 156 . 1 1 18 18 PHE H H 1 8.18 . . 1 . . . . . . . . 4335 1 157 . 1 1 18 18 PHE HA H 1 3.86 . . 1 . . . . . . . . 4335 1 158 . 1 1 18 18 PHE HB2 H 1 3.06 . . 2 . . . . . . . . 4335 1 159 . 1 1 18 18 PHE HB3 H 1 3.01 . . 2 . . . . . . . . 4335 1 160 . 1 1 18 18 PHE C C 13 177.8 . . 1 . . . . . . . . 4335 1 161 . 1 1 18 18 PHE CA C 13 62.5 . . 1 . . . . . . . . 4335 1 162 . 1 1 18 18 PHE CB C 13 40.9 . . 1 . . . . . . . . 4335 1 163 . 1 1 18 18 PHE N N 15 128.3 . . 1 . . . . . . . . 4335 1 164 . 1 1 19 19 ASP H H 1 8.48 . . 1 . . . . . . . . 4335 1 165 . 1 1 19 19 ASP HA H 1 4.56 . . 1 . . . . . . . . 4335 1 166 . 1 1 19 19 ASP HB2 H 1 2.94 . . 2 . . . . . . . . 4335 1 167 . 1 1 19 19 ASP HB3 H 1 2.61 . . 2 . . . . . . . . 4335 1 168 . 1 1 19 19 ASP C C 13 177.5 . . 1 . . . . . . . . 4335 1 169 . 1 1 19 19 ASP CA C 13 53.2 . . 1 . . . . . . . . 4335 1 170 . 1 1 19 19 ASP CB C 13 39.6 . . 1 . . . . . . . . 4335 1 171 . 1 1 19 19 ASP N N 15 114.9 . . 1 . . . . . . . . 4335 1 172 . 1 1 20 20 GLY H H 1 7.61 . . 1 . . . . . . . . 4335 1 173 . 1 1 20 20 GLY HA2 H 1 3.77 . . 1 . . . . . . . . 4335 1 174 . 1 1 20 20 GLY HA3 H 1 3.77 . . 1 . . . . . . . . 4335 1 175 . 1 1 20 20 GLY C C 13 174.9 . . 1 . . . . . . . . 4335 1 176 . 1 1 20 20 GLY CA C 13 47.6 . . 1 . . . . . . . . 4335 1 177 . 1 1 20 20 GLY N N 15 110.4 . . 1 . . . . . . . . 4335 1 178 . 1 1 21 21 ASN H H 1 8.28 . . 1 . . . . . . . . 4335 1 179 . 1 1 21 21 ASN HA H 1 4.62 . . 1 . . . . . . . . 4335 1 180 . 1 1 21 21 ASN HB2 H 1 3.14 . . 2 . . . . . . . . 4335 1 181 . 1 1 21 21 ASN HB3 H 1 2.60 . . 2 . . . . . . . . 4335 1 182 . 1 1 21 21 ASN HD21 H 1 8.45 . . 2 . . . . . . . . 4335 1 183 . 1 1 21 21 ASN HD22 H 1 7.63 . . 2 . . . . . . . . 4335 1 184 . 1 1 21 21 ASN C C 13 176.5 . . 1 . . . . . . . . 4335 1 185 . 1 1 21 21 ASN CA C 13 53.1 . . 1 . . . . . . . . 4335 1 186 . 1 1 21 21 ASN CB C 13 37.7 . . 1 . . . . . . . . 4335 1 187 . 1 1 21 21 ASN N N 15 118.9 . . 1 . . . . . . . . 4335 1 188 . 1 1 21 21 ASN ND2 N 15 119.7 . . 1 . . . . . . . . 4335 1 189 . 1 1 22 22 GLY H H 1 10.43 . . 1 . . . . . . . . 4335 1 190 . 1 1 22 22 GLY HA2 H 1 3.69 . . 2 . . . . . . . . 4335 1 191 . 1 1 22 22 GLY HA3 H 1 4.17 . . 2 . . . . . . . . 4335 1 192 . 1 1 22 22 GLY C C 13 172.7 . . 1 . . . . . . . . 4335 1 193 . 1 1 22 22 GLY CA C 13 45.9 . . 1 . . . . . . . . 4335 1 194 . 1 1 22 22 GLY N N 15 115.0 . . 1 . . . . . . . . 4335 1 195 . 1 1 23 23 ALA H H 1 7.63 . . 1 . . . . . . . . 4335 1 196 . 1 1 23 23 ALA HA H 1 5.05 . . 1 . . . . . . . . 4335 1 197 . 1 1 23 23 ALA HB1 H 1 1.27 . . 1 . . . . . . . . 4335 1 198 . 1 1 23 23 ALA HB2 H 1 1.27 . . 1 . . . . . . . . 4335 1 199 . 1 1 23 23 ALA HB3 H 1 1.27 . . 1 . . . . . . . . 4335 1 200 . 1 1 23 23 ALA C C 13 175.4 . . 1 . . . . . . . . 4335 1 201 . 1 1 23 23 ALA CA C 13 50.7 . . 1 . . . . . . . . 4335 1 202 . 1 1 23 23 ALA CB C 13 22.0 . . 1 . . . . . . . . 4335 1 203 . 1 1 23 23 ALA N N 15 122.4 . . 1 . . . . . . . . 4335 1 204 . 1 1 24 24 LEU H H 1 9.54 . . 1 . . . . . . . . 4335 1 205 . 1 1 24 24 LEU HA H 1 5.26 . . 1 . . . . . . . . 4335 1 206 . 1 1 24 24 LEU HB2 H 1 1.87 . . 2 . . . . . . . . 4335 1 207 . 1 1 24 24 LEU HB3 H 1 1.70 . . 2 . . . . . . . . 4335 1 208 . 1 1 24 24 LEU HG H 1 1.23 . . 1 . . . . . . . . 4335 1 209 . 1 1 24 24 LEU HD11 H 1 0.46 . . 2 . . . . . . . . 4335 1 210 . 1 1 24 24 LEU HD12 H 1 0.46 . . 2 . . . . . . . . 4335 1 211 . 1 1 24 24 LEU HD13 H 1 0.46 . . 2 . . . . . . . . 4335 1 212 . 1 1 24 24 LEU HD21 H 1 0.57 . . 2 . . . . . . . . 4335 1 213 . 1 1 24 24 LEU HD22 H 1 0.57 . . 2 . . . . . . . . 4335 1 214 . 1 1 24 24 LEU HD23 H 1 0.57 . . 2 . . . . . . . . 4335 1 215 . 1 1 24 24 LEU C C 13 175.4 . . 1 . . . . . . . . 4335 1 216 . 1 1 24 24 LEU CA C 13 53.7 . . 1 . . . . . . . . 4335 1 217 . 1 1 24 24 LEU CB C 13 43.9 . . 1 . . . . . . . . 4335 1 218 . 1 1 24 24 LEU CG C 13 26.5 . . 1 . . . . . . . . 4335 1 219 . 1 1 24 24 LEU CD1 C 13 26.4 . . 2 . . . . . . . . 4335 1 220 . 1 1 24 24 LEU CD2 C 13 23.1 . . 2 . . . . . . . . 4335 1 221 . 1 1 24 24 LEU N N 15 125.3 . . 1 . . . . . . . . 4335 1 222 . 1 1 25 25 GLU H H 1 8.75 . . 1 . . . . . . . . 4335 1 223 . 1 1 25 25 GLU HA H 1 4.80 . . 1 . . . . . . . . 4335 1 224 . 1 1 25 25 GLU HB2 H 1 2.13 . . 2 . . . . . . . . 4335 1 225 . 1 1 25 25 GLU HB3 H 1 1.89 . . 2 . . . . . . . . 4335 1 226 . 1 1 25 25 GLU HG2 H 1 2.37 . . 2 . . . . . . . . 4335 1 227 . 1 1 25 25 GLU HG3 H 1 2.16 . . 2 . . . . . . . . 4335 1 228 . 1 1 25 25 GLU C C 13 177.0 . . 1 . . . . . . . . 4335 1 229 . 1 1 25 25 GLU CA C 13 55.4 . . 1 . . . . . . . . 4335 1 230 . 1 1 25 25 GLU CB C 13 32.6 . . 1 . . . . . . . . 4335 1 231 . 1 1 25 25 GLU CG C 13 37.4 . . 1 . . . . . . . . 4335 1 232 . 1 1 25 25 GLU N N 15 124.7 . . 1 . . . . . . . . 4335 1 233 . 1 1 26 26 ARG H H 1 8.48 . . 1 . . . . . . . . 4335 1 234 . 1 1 26 26 ARG HA H 1 2.70 . . 1 . . . . . . . . 4335 1 235 . 1 1 26 26 ARG HB2 H 1 1.44 . . 1 . . . . . . . . 4335 1 236 . 1 1 26 26 ARG HB3 H 1 1.44 . . 1 . . . . . . . . 4335 1 237 . 1 1 26 26 ARG HG2 H 1 1.31 . . 2 . . . . . . . . 4335 1 238 . 1 1 26 26 ARG HG3 H 1 1.25 . . 2 . . . . . . . . 4335 1 239 . 1 1 26 26 ARG HD2 H 1 3.25 . . 2 . . . . . . . . 4335 1 240 . 1 1 26 26 ARG HD3 H 1 3.05 . . 2 . . . . . . . . 4335 1 241 . 1 1 26 26 ARG C C 13 179.5 . . 1 . . . . . . . . 4335 1 242 . 1 1 26 26 ARG CA C 13 60.9 . . 1 . . . . . . . . 4335 1 243 . 1 1 26 26 ARG CB C 13 30.0 . . 1 . . . . . . . . 4335 1 244 . 1 1 26 26 ARG CG C 13 28.6 . . 1 . . . . . . . . 4335 1 245 . 1 1 26 26 ARG CD C 13 43.0 . . 1 . . . . . . . . 4335 1 246 . 1 1 26 26 ARG N N 15 127.4 . . 1 . . . . . . . . 4335 1 247 . 1 1 27 27 ALA H H 1 8.17 . . 1 . . . . . . . . 4335 1 248 . 1 1 27 27 ALA HA H 1 4.01 . . 1 . . . . . . . . 4335 1 249 . 1 1 27 27 ALA HB1 H 1 1.30 . . 1 . . . . . . . . 4335 1 250 . 1 1 27 27 ALA HB2 H 1 1.30 . . 1 . . . . . . . . 4335 1 251 . 1 1 27 27 ALA HB3 H 1 1.30 . . 1 . . . . . . . . 4335 1 252 . 1 1 27 27 ALA C C 13 180.1 . . 1 . . . . . . . . 4335 1 253 . 1 1 27 27 ALA CA C 13 54.8 . . 1 . . . . . . . . 4335 1 254 . 1 1 27 27 ALA CB C 13 18.8 . . 1 . . . . . . . . 4335 1 255 . 1 1 27 27 ALA N N 15 118.2 . . 1 . . . . . . . . 4335 1 256 . 1 1 28 28 ASP H H 1 7.43 . . 1 . . . . . . . . 4335 1 257 . 1 1 28 28 ASP HA H 1 4.54 . . 1 . . . . . . . . 4335 1 258 . 1 1 28 28 ASP HB2 H 1 3.97 . . 2 . . . . . . . . 4335 1 259 . 1 1 28 28 ASP HB3 H 1 3.37 . . 2 . . . . . . . . 4335 1 260 . 1 1 28 28 ASP C C 13 177.9 . . 1 . . . . . . . . 4335 1 261 . 1 1 28 28 ASP CA C 13 58.4 . . 1 . . . . . . . . 4335 1 262 . 1 1 28 28 ASP CB C 13 41.0 . . 1 . . . . . . . . 4335 1 263 . 1 1 28 28 ASP N N 15 118.2 . . 1 . . . . . . . . 4335 1 264 . 1 1 29 29 PHE H H 1 7.28 . . 1 . . . . . . . . 4335 1 265 . 1 1 29 29 PHE HA H 1 3.91 . . 1 . . . . . . . . 4335 1 266 . 1 1 29 29 PHE HB2 H 1 3.35 . . 2 . . . . . . . . 4335 1 267 . 1 1 29 29 PHE HB3 H 1 2.93 . . 2 . . . . . . . . 4335 1 268 . 1 1 29 29 PHE C C 13 177.9 . . 1 . . . . . . . . 4335 1 269 . 1 1 29 29 PHE CA C 13 61.2 . . 1 . . . . . . . . 4335 1 270 . 1 1 29 29 PHE CB C 13 38.0 . . 1 . . . . . . . . 4335 1 271 . 1 1 29 29 PHE N N 15 120.5 . . 1 . . . . . . . . 4335 1 272 . 1 1 30 30 GLU H H 1 7.98 . . 1 . . . . . . . . 4335 1 273 . 1 1 30 30 GLU HA H 1 3.79 . . 1 . . . . . . . . 4335 1 274 . 1 1 30 30 GLU HB2 H 1 2.00 . . 1 . . . . . . . . 4335 1 275 . 1 1 30 30 GLU HB3 H 1 2.00 . . 1 . . . . . . . . 4335 1 276 . 1 1 30 30 GLU HG2 H 1 2.32 . . 2 . . . . . . . . 4335 1 277 . 1 1 30 30 GLU HG3 H 1 2.03 . . 2 . . . . . . . . 4335 1 278 . 1 1 30 30 GLU C C 13 179.1 . . 1 . . . . . . . . 4335 1 279 . 1 1 30 30 GLU CA C 13 60.6 . . 1 . . . . . . . . 4335 1 280 . 1 1 30 30 GLU CB C 13 29.6 . . 1 . . . . . . . . 4335 1 281 . 1 1 30 30 GLU CG C 13 36.8 . . 1 . . . . . . . . 4335 1 282 . 1 1 30 30 GLU N N 15 119.9 . . 1 . . . . . . . . 4335 1 283 . 1 1 31 31 LYS H H 1 7.92 . . 1 . . . . . . . . 4335 1 284 . 1 1 31 31 LYS HA H 1 3.59 . . 1 . . . . . . . . 4335 1 285 . 1 1 31 31 LYS HB2 H 1 1.28 . . 2 . . . . . . . . 4335 1 286 . 1 1 31 31 LYS HB3 H 1 0.49 . . 2 . . . . . . . . 4335 1 287 . 1 1 31 31 LYS HG2 H 1 0.96 . . 1 . . . . . . . . 4335 1 288 . 1 1 31 31 LYS HG3 H 1 0.96 . . 1 . . . . . . . . 4335 1 289 . 1 1 31 31 LYS HD2 H 1 1.39 . . 1 . . . . . . . . 4335 1 290 . 1 1 31 31 LYS HD3 H 1 1.39 . . 1 . . . . . . . . 4335 1 291 . 1 1 31 31 LYS HE2 H 1 2.77 . . 2 . . . . . . . . 4335 1 292 . 1 1 31 31 LYS HE3 H 1 2.69 . . 2 . . . . . . . . 4335 1 293 . 1 1 31 31 LYS C C 13 179.1 . . 1 . . . . . . . . 4335 1 294 . 1 1 31 31 LYS CA C 13 59.2 . . 1 . . . . . . . . 4335 1 295 . 1 1 31 31 LYS CB C 13 31.4 . . 1 . . . . . . . . 4335 1 296 . 1 1 31 31 LYS CG C 13 26.1 . . 1 . . . . . . . . 4335 1 297 . 1 1 31 31 LYS CD C 13 29.9 . . 1 . . . . . . . . 4335 1 298 . 1 1 31 31 LYS CE C 13 42.5 . . 1 . . . . . . . . 4335 1 299 . 1 1 31 31 LYS N N 15 120.6 . . 1 . . . . . . . . 4335 1 300 . 1 1 32 32 GLU H H 1 7.94 . . 1 . . . . . . . . 4335 1 301 . 1 1 32 32 GLU HA H 1 4.23 . . 1 . . . . . . . . 4335 1 302 . 1 1 32 32 GLU HB2 H 1 1.27 . . 1 . . . . . . . . 4335 1 303 . 1 1 32 32 GLU HB3 H 1 1.27 . . 1 . . . . . . . . 4335 1 304 . 1 1 32 32 GLU C C 13 177.7 . . 1 . . . . . . . . 4335 1 305 . 1 1 32 32 GLU CA C 13 57.6 . . 1 . . . . . . . . 4335 1 306 . 1 1 32 32 GLU CB C 13 26.1 . . 1 . . . . . . . . 4335 1 307 . 1 1 32 32 GLU N N 15 124.2 . . 1 . . . . . . . . 4335 1 308 . 1 1 33 33 ALA H H 1 7.20 . . 1 . . . . . . . . 4335 1 309 . 1 1 33 33 ALA HA H 1 3.43 . . 1 . . . . . . . . 4335 1 310 . 1 1 33 33 ALA HB1 H 1 1.24 . . 1 . . . . . . . . 4335 1 311 . 1 1 33 33 ALA HB2 H 1 1.24 . . 1 . . . . . . . . 4335 1 312 . 1 1 33 33 ALA HB3 H 1 1.24 . . 1 . . . . . . . . 4335 1 313 . 1 1 33 33 ALA C C 13 178.6 . . 1 . . . . . . . . 4335 1 314 . 1 1 33 33 ALA CA C 13 54.9 . . 1 . . . . . . . . 4335 1 315 . 1 1 33 33 ALA CB C 13 18.4 . . 1 . . . . . . . . 4335 1 316 . 1 1 33 33 ALA N N 15 121.7 . . 1 . . . . . . . . 4335 1 317 . 1 1 34 34 GLN H H 1 7.43 . . 1 . . . . . . . . 4335 1 318 . 1 1 34 34 GLN HA H 1 3.69 . . 1 . . . . . . . . 4335 1 319 . 1 1 34 34 GLN HB2 H 1 1.98 . . 1 . . . . . . . . 4335 1 320 . 1 1 34 34 GLN HB3 H 1 1.98 . . 1 . . . . . . . . 4335 1 321 . 1 1 34 34 GLN HG2 H 1 2.24 . . 1 . . . . . . . . 4335 1 322 . 1 1 34 34 GLN HG3 H 1 2.24 . . 1 . . . . . . . . 4335 1 323 . 1 1 34 34 GLN HE21 H 1 7.50 . . 2 . . . . . . . . 4335 1 324 . 1 1 34 34 GLN HE22 H 1 6.58 . . 2 . . . . . . . . 4335 1 325 . 1 1 34 34 GLN C C 13 177.2 . . 1 . . . . . . . . 4335 1 326 . 1 1 34 34 GLN CA C 13 59.0 . . 1 . . . . . . . . 4335 1 327 . 1 1 34 34 GLN CB C 13 28.1 . . 1 . . . . . . . . 4335 1 328 . 1 1 34 34 GLN CG C 13 33.8 . . 1 . . . . . . . . 4335 1 329 . 1 1 34 34 GLN N N 15 117.0 . . 1 . . . . . . . . 4335 1 330 . 1 1 34 34 GLN NE2 N 15 112.1 . . 1 . . . . . . . . 4335 1 331 . 1 1 35 35 HIS H H 1 8.30 . . 1 . . . . . . . . 4335 1 332 . 1 1 35 35 HIS HA H 1 4.35 . . 1 . . . . . . . . 4335 1 333 . 1 1 35 35 HIS HB2 H 1 3.46 . . 2 . . . . . . . . 4335 1 334 . 1 1 35 35 HIS HB3 H 1 3.19 . . 2 . . . . . . . . 4335 1 335 . 1 1 35 35 HIS C C 13 177.0 . . 1 . . . . . . . . 4335 1 336 . 1 1 35 35 HIS CA C 13 58.9 . . 1 . . . . . . . . 4335 1 337 . 1 1 35 35 HIS CB C 13 28.2 . . 1 . . . . . . . . 4335 1 338 . 1 1 35 35 HIS N N 15 120.4 . . 1 . . . . . . . . 4335 1 339 . 1 1 36 36 ILE H H 1 8.09 . . 1 . . . . . . . . 4335 1 340 . 1 1 36 36 ILE HA H 1 3.26 . . 1 . . . . . . . . 4335 1 341 . 1 1 36 36 ILE HB H 1 1.70 . . 1 . . . . . . . . 4335 1 342 . 1 1 36 36 ILE HG12 H 1 0.94 . . 1 . . . . . . . . 4335 1 343 . 1 1 36 36 ILE HG13 H 1 0.94 . . 1 . . . . . . . . 4335 1 344 . 1 1 36 36 ILE HG21 H 1 0.63 . . 1 . . . . . . . . 4335 1 345 . 1 1 36 36 ILE HG22 H 1 0.63 . . 1 . . . . . . . . 4335 1 346 . 1 1 36 36 ILE HG23 H 1 0.63 . . 1 . . . . . . . . 4335 1 347 . 1 1 36 36 ILE HD11 H 1 0.89 . . 1 . . . . . . . . 4335 1 348 . 1 1 36 36 ILE HD12 H 1 0.89 . . 1 . . . . . . . . 4335 1 349 . 1 1 36 36 ILE HD13 H 1 0.89 . . 1 . . . . . . . . 4335 1 350 . 1 1 36 36 ILE C C 13 176.7 . . 1 . . . . . . . . 4335 1 351 . 1 1 36 36 ILE CA C 13 65.2 . . 1 . . . . . . . . 4335 1 352 . 1 1 36 36 ILE CB C 13 37.7 . . 1 . . . . . . . . 4335 1 353 . 1 1 36 36 ILE CG1 C 13 28.9 . . 1 . . . . . . . . 4335 1 354 . 1 1 36 36 ILE CG2 C 13 17.8 . . 1 . . . . . . . . 4335 1 355 . 1 1 36 36 ILE CD1 C 13 13.8 . . 1 . . . . . . . . 4335 1 356 . 1 1 36 36 ILE N N 15 121.6 . . 1 . . . . . . . . 4335 1 357 . 1 1 37 37 ALA H H 1 7.76 . . 1 . . . . . . . . 4335 1 358 . 1 1 37 37 ALA HA H 1 4.05 . . 1 . . . . . . . . 4335 1 359 . 1 1 37 37 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 4335 1 360 . 1 1 37 37 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 4335 1 361 . 1 1 37 37 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 4335 1 362 . 1 1 37 37 ALA C C 13 179.7 . . 1 . . . . . . . . 4335 1 363 . 1 1 37 37 ALA CA C 13 55.8 . . 1 . . . . . . . . 4335 1 364 . 1 1 37 37 ALA CB C 13 19.6 . . 1 . . . . . . . . 4335 1 365 . 1 1 37 37 ALA N N 15 121.3 . . 1 . . . . . . . . 4335 1 366 . 1 1 38 38 GLU H H 1 8.26 . . 1 . . . . . . . . 4335 1 367 . 1 1 38 38 GLU HA H 1 4.04 . . 1 . . . . . . . . 4335 1 368 . 1 1 38 38 GLU HB2 H 1 2.10 . . 2 . . . . . . . . 4335 1 369 . 1 1 38 38 GLU HB3 H 1 1.99 . . 2 . . . . . . . . 4335 1 370 . 1 1 38 38 GLU HG2 H 1 2.46 . . 2 . . . . . . . . 4335 1 371 . 1 1 38 38 GLU HG3 H 1 2.24 . . 2 . . . . . . . . 4335 1 372 . 1 1 38 38 GLU C C 13 180.6 . . 1 . . . . . . . . 4335 1 373 . 1 1 38 38 GLU CA C 13 59.2 . . 1 . . . . . . . . 4335 1 374 . 1 1 38 38 GLU CB C 13 29.4 . . 1 . . . . . . . . 4335 1 375 . 1 1 38 38 GLU CG C 13 36.7 . . 1 . . . . . . . . 4335 1 376 . 1 1 38 38 GLU N N 15 118.6 . . 1 . . . . . . . . 4335 1 377 . 1 1 39 39 ALA H H 1 8.00 . . 1 . . . . . . . . 4335 1 378 . 1 1 39 39 ALA HA H 1 4.01 . . 1 . . . . . . . . 4335 1 379 . 1 1 39 39 ALA HB1 H 1 1.19 . . 1 . . . . . . . . 4335 1 380 . 1 1 39 39 ALA HB2 H 1 1.19 . . 1 . . . . . . . . 4335 1 381 . 1 1 39 39 ALA HB3 H 1 1.19 . . 1 . . . . . . . . 4335 1 382 . 1 1 39 39 ALA C C 13 179.3 . . 1 . . . . . . . . 4335 1 383 . 1 1 39 39 ALA CA C 13 54.8 . . 1 . . . . . . . . 4335 1 384 . 1 1 39 39 ALA CB C 13 17.1 . . 1 . . . . . . . . 4335 1 385 . 1 1 39 39 ALA N N 15 126.1 . . 1 . . . . . . . . 4335 1 386 . 1 1 40 40 PHE H H 1 7.65 . . 1 . . . . . . . . 4335 1 387 . 1 1 40 40 PHE HA H 1 4.48 . . 1 . . . . . . . . 4335 1 388 . 1 1 40 40 PHE HB2 H 1 3.29 . . 2 . . . . . . . . 4335 1 389 . 1 1 40 40 PHE HB3 H 1 2.89 . . 2 . . . . . . . . 4335 1 390 . 1 1 40 40 PHE C C 13 176.2 . . 1 . . . . . . . . 4335 1 391 . 1 1 40 40 PHE CA C 13 57.6 . . 1 . . . . . . . . 4335 1 392 . 1 1 40 40 PHE CB C 13 39.4 . . 1 . . . . . . . . 4335 1 393 . 1 1 40 40 PHE N N 15 115.6 . . 1 . . . . . . . . 4335 1 394 . 1 1 41 41 GLY H H 1 8.02 . . 1 . . . . . . . . 4335 1 395 . 1 1 41 41 GLY HA2 H 1 4.06 . . 2 . . . . . . . . 4335 1 396 . 1 1 41 41 GLY HA3 H 1 3.86 . . 2 . . . . . . . . 4335 1 397 . 1 1 41 41 GLY C C 13 175.0 . . 1 . . . . . . . . 4335 1 398 . 1 1 41 41 GLY CA C 13 46.3 . . 1 . . . . . . . . 4335 1 399 . 1 1 41 41 GLY N N 15 110.2 . . 1 . . . . . . . . 4335 1 400 . 1 1 42 42 LYS H H 1 8.00 . . 1 . . . . . . . . 4335 1 401 . 1 1 42 42 LYS HA H 1 4.43 . . 1 . . . . . . . . 4335 1 402 . 1 1 42 42 LYS HB2 H 1 1.57 . . 1 . . . . . . . . 4335 1 403 . 1 1 42 42 LYS HB3 H 1 1.57 . . 1 . . . . . . . . 4335 1 404 . 1 1 42 42 LYS HG2 H 1 1.38 . . 1 . . . . . . . . 4335 1 405 . 1 1 42 42 LYS HG3 H 1 1.38 . . 1 . . . . . . . . 4335 1 406 . 1 1 42 42 LYS HD2 H 1 1.56 . . 1 . . . . . . . . 4335 1 407 . 1 1 42 42 LYS HD3 H 1 1.56 . . 1 . . . . . . . . 4335 1 408 . 1 1 42 42 LYS HE2 H 1 2.93 . . 1 . . . . . . . . 4335 1 409 . 1 1 42 42 LYS HE3 H 1 2.93 . . 1 . . . . . . . . 4335 1 410 . 1 1 42 42 LYS C C 13 175.6 . . 1 . . . . . . . . 4335 1 411 . 1 1 42 42 LYS CA C 13 54.0 . . 1 . . . . . . . . 4335 1 412 . 1 1 42 42 LYS CB C 13 33.3 . . 1 . . . . . . . . 4335 1 413 . 1 1 42 42 LYS CG C 13 25.0 . . 1 . . . . . . . . 4335 1 414 . 1 1 42 42 LYS CD C 13 28.1 . . 1 . . . . . . . . 4335 1 415 . 1 1 42 42 LYS CE C 13 42.8 . . 1 . . . . . . . . 4335 1 416 . 1 1 42 42 LYS N N 15 120.1 . . 1 . . . . . . . . 4335 1 417 . 1 1 43 43 ASP H H 1 8.27 . . 1 . . . . . . . . 4335 1 418 . 1 1 43 43 ASP HA H 1 4.46 . . 1 . . . . . . . . 4335 1 419 . 1 1 43 43 ASP HB2 H 1 2.64 . . 2 . . . . . . . . 4335 1 420 . 1 1 43 43 ASP HB3 H 1 2.58 . . 2 . . . . . . . . 4335 1 421 . 1 1 43 43 ASP C C 13 176.3 . . 1 . . . . . . . . 4335 1 422 . 1 1 43 43 ASP CA C 13 54.1 . . 1 . . . . . . . . 4335 1 423 . 1 1 43 43 ASP CB C 13 42.9 . . 1 . . . . . . . . 4335 1 424 . 1 1 43 43 ASP N N 15 122.9 . . 1 . . . . . . . . 4335 1 425 . 1 1 44 44 ALA H H 1 8.28 . . 1 . . . . . . . . 4335 1 426 . 1 1 44 44 ALA HA H 1 3.96 . . 1 . . . . . . . . 4335 1 427 . 1 1 44 44 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 4335 1 428 . 1 1 44 44 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 4335 1 429 . 1 1 44 44 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 4335 1 430 . 1 1 44 44 ALA C C 13 178.0 . . 1 . . . . . . . . 4335 1 431 . 1 1 44 44 ALA CA C 13 54.3 . . 1 . . . . . . . . 4335 1 432 . 1 1 44 44 ALA CB C 13 18.7 . . 1 . . . . . . . . 4335 1 433 . 1 1 44 44 ALA N N 15 125.0 . . 1 . . . . . . . . 4335 1 434 . 1 1 45 45 GLY H H 1 8.43 . . 1 . . . . . . . . 4335 1 435 . 1 1 45 45 GLY HA2 H 1 4.07 . . 2 . . . . . . . . 4335 1 436 . 1 1 45 45 GLY HA3 H 1 3.59 . . 2 . . . . . . . . 4335 1 437 . 1 1 45 45 GLY C C 13 174.6 . . 1 . . . . . . . . 4335 1 438 . 1 1 45 45 GLY CA C 13 44.8 . . 1 . . . . . . . . 4335 1 439 . 1 1 45 45 GLY N N 15 105.2 . . 1 . . . . . . . . 4335 1 440 . 1 1 46 46 ALA H H 1 7.67 . . 1 . . . . . . . . 4335 1 441 . 1 1 46 46 ALA HA H 1 4.30 . . 1 . . . . . . . . 4335 1 442 . 1 1 46 46 ALA HB1 H 1 1.60 . . 1 . . . . . . . . 4335 1 443 . 1 1 46 46 ALA HB2 H 1 1.60 . . 1 . . . . . . . . 4335 1 444 . 1 1 46 46 ALA HB3 H 1 1.60 . . 1 . . . . . . . . 4335 1 445 . 1 1 46 46 ALA C C 13 179.6 . . 1 . . . . . . . . 4335 1 446 . 1 1 46 46 ALA CA C 13 52.6 . . 1 . . . . . . . . 4335 1 447 . 1 1 46 46 ALA CB C 13 19.1 . . 1 . . . . . . . . 4335 1 448 . 1 1 46 46 ALA N N 15 124.9 . . 1 . . . . . . . . 4335 1 449 . 1 1 47 47 ALA H H 1 8.98 . . 1 . . . . . . . . 4335 1 450 . 1 1 47 47 ALA HA H 1 4.52 . . 1 . . . . . . . . 4335 1 451 . 1 1 47 47 ALA HB1 H 1 1.40 . . 1 . . . . . . . . 4335 1 452 . 1 1 47 47 ALA HB2 H 1 1.40 . . 1 . . . . . . . . 4335 1 453 . 1 1 47 47 ALA HB3 H 1 1.40 . . 1 . . . . . . . . 4335 1 454 . 1 1 47 47 ALA C C 13 180.4 . . 1 . . . . . . . . 4335 1 455 . 1 1 47 47 ALA CA C 13 55.8 . . 1 . . . . . . . . 4335 1 456 . 1 1 47 47 ALA CB C 13 18.6 . . 1 . . . . . . . . 4335 1 457 . 1 1 47 47 ALA N N 15 128.8 . . 1 . . . . . . . . 4335 1 458 . 1 1 48 48 GLU H H 1 10.05 . . 1 . . . . . . . . 4335 1 459 . 1 1 48 48 GLU HA H 1 4.04 . . 1 . . . . . . . . 4335 1 460 . 1 1 48 48 GLU C C 13 179.3 . . 1 . . . . . . . . 4335 1 461 . 1 1 48 48 GLU CA C 13 59.9 . . 1 . . . . . . . . 4335 1 462 . 1 1 48 48 GLU CB C 13 28.7 . . 1 . . . . . . . . 4335 1 463 . 1 1 48 48 GLU CG C 13 36.8 . . 1 . . . . . . . . 4335 1 464 . 1 1 48 48 GLU N N 15 117.3 . . 1 . . . . . . . . 4335 1 465 . 1 1 49 49 VAL H H 1 7.44 . . 1 . . . . . . . . 4335 1 466 . 1 1 49 49 VAL HA H 1 3.45 . . 1 . . . . . . . . 4335 1 467 . 1 1 49 49 VAL HB H 1 2.24 . . 1 . . . . . . . . 4335 1 468 . 1 1 49 49 VAL HG11 H 1 0.90 . . 2 . . . . . . . . 4335 1 469 . 1 1 49 49 VAL HG12 H 1 0.90 . . 2 . . . . . . . . 4335 1 470 . 1 1 49 49 VAL HG13 H 1 0.90 . . 2 . . . . . . . . 4335 1 471 . 1 1 49 49 VAL HG21 H 1 0.81 . . 2 . . . . . . . . 4335 1 472 . 1 1 49 49 VAL HG22 H 1 0.81 . . 2 . . . . . . . . 4335 1 473 . 1 1 49 49 VAL HG23 H 1 0.81 . . 2 . . . . . . . . 4335 1 474 . 1 1 49 49 VAL C C 13 177.4 . . 1 . . . . . . . . 4335 1 475 . 1 1 49 49 VAL CA C 13 66.1 . . 1 . . . . . . . . 4335 1 476 . 1 1 49 49 VAL CB C 13 31.0 . . 1 . . . . . . . . 4335 1 477 . 1 1 49 49 VAL CG1 C 13 24.4 . . 2 . . . . . . . . 4335 1 478 . 1 1 49 49 VAL CG2 C 13 21.4 . . 2 . . . . . . . . 4335 1 479 . 1 1 49 49 VAL N N 15 121.9 . . 1 . . . . . . . . 4335 1 480 . 1 1 50 50 GLN H H 1 7.60 . . 1 . . . . . . . . 4335 1 481 . 1 1 50 50 GLN HA H 1 3.90 . . 1 . . . . . . . . 4335 1 482 . 1 1 50 50 GLN HB2 H 1 2.17 . . 1 . . . . . . . . 4335 1 483 . 1 1 50 50 GLN HB3 H 1 2.17 . . 1 . . . . . . . . 4335 1 484 . 1 1 50 50 GLN HG2 H 1 2.35 . . 1 . . . . . . . . 4335 1 485 . 1 1 50 50 GLN HG3 H 1 2.35 . . 1 . . . . . . . . 4335 1 486 . 1 1 50 50 GLN HE21 H 1 7.23 . . 2 . . . . . . . . 4335 1 487 . 1 1 50 50 GLN HE22 H 1 6.89 . . 2 . . . . . . . . 4335 1 488 . 1 1 50 50 GLN C C 13 178.7 . . 1 . . . . . . . . 4335 1 489 . 1 1 50 50 GLN CA C 13 59.0 . . 1 . . . . . . . . 4335 1 490 . 1 1 50 50 GLN CB C 13 27.7 . . 1 . . . . . . . . 4335 1 491 . 1 1 50 50 GLN CG C 13 33.6 . . 1 . . . . . . . . 4335 1 492 . 1 1 50 50 GLN N N 15 121.9 . . 1 . . . . . . . . 4335 1 493 . 1 1 50 50 GLN NE2 N 15 114.3 . . 1 . . . . . . . . 4335 1 494 . 1 1 51 51 THR H H 1 8.19 . . 1 . . . . . . . . 4335 1 495 . 1 1 51 51 THR HA H 1 3.92 . . 1 . . . . . . . . 4335 1 496 . 1 1 51 51 THR HB H 1 4.12 . . 1 . . . . . . . . 4335 1 497 . 1 1 51 51 THR HG21 H 1 1.20 . . 1 . . . . . . . . 4335 1 498 . 1 1 51 51 THR HG22 H 1 1.20 . . 1 . . . . . . . . 4335 1 499 . 1 1 51 51 THR HG23 H 1 1.20 . . 1 . . . . . . . . 4335 1 500 . 1 1 51 51 THR C C 13 176.7 . . 1 . . . . . . . . 4335 1 501 . 1 1 51 51 THR CA C 13 66.7 . . 1 . . . . . . . . 4335 1 502 . 1 1 51 51 THR CB C 13 68.5 . . 1 . . . . . . . . 4335 1 503 . 1 1 51 51 THR CG2 C 13 22.2 . . 1 . . . . . . . . 4335 1 504 . 1 1 51 51 THR N N 15 116.8 . . 1 . . . . . . . . 4335 1 505 . 1 1 52 52 LEU H H 1 7.47 . . 1 . . . . . . . . 4335 1 506 . 1 1 52 52 LEU HA H 1 4.11 . . 1 . . . . . . . . 4335 1 507 . 1 1 52 52 LEU HB2 H 1 1.99 . . 2 . . . . . . . . 4335 1 508 . 1 1 52 52 LEU HB3 H 1 1.40 . . 2 . . . . . . . . 4335 1 509 . 1 1 52 52 LEU HD11 H 1 0.91 . . 2 . . . . . . . . 4335 1 510 . 1 1 52 52 LEU HD12 H 1 0.91 . . 2 . . . . . . . . 4335 1 511 . 1 1 52 52 LEU HD13 H 1 0.91 . . 2 . . . . . . . . 4335 1 512 . 1 1 52 52 LEU HD21 H 1 0.98 . . 2 . . . . . . . . 4335 1 513 . 1 1 52 52 LEU HD22 H 1 0.98 . . 2 . . . . . . . . 4335 1 514 . 1 1 52 52 LEU HD23 H 1 0.98 . . 2 . . . . . . . . 4335 1 515 . 1 1 52 52 LEU C C 13 178.4 . . 1 . . . . . . . . 4335 1 516 . 1 1 52 52 LEU CA C 13 58.3 . . 1 . . . . . . . . 4335 1 517 . 1 1 52 52 LEU CB C 13 42.2 . . 1 . . . . . . . . 4335 1 518 . 1 1 52 52 LEU CD1 C 13 26.6 . . 2 . . . . . . . . 4335 1 519 . 1 1 52 52 LEU CD2 C 13 24.3 . . 2 . . . . . . . . 4335 1 520 . 1 1 52 52 LEU N N 15 124.6 . . 1 . . . . . . . . 4335 1 521 . 1 1 53 53 LYS H H 1 8.77 . . 1 . . . . . . . . 4335 1 522 . 1 1 53 53 LYS HA H 1 3.77 . . 1 . . . . . . . . 4335 1 523 . 1 1 53 53 LYS HB2 H 1 1.88 . . 1 . . . . . . . . 4335 1 524 . 1 1 53 53 LYS HB3 H 1 1.88 . . 1 . . . . . . . . 4335 1 525 . 1 1 53 53 LYS HG2 H 1 1.55 . . 2 . . . . . . . . 4335 1 526 . 1 1 53 53 LYS HG3 H 1 1.38 . . 2 . . . . . . . . 4335 1 527 . 1 1 53 53 LYS HD2 H 1 1.60 . . 1 . . . . . . . . 4335 1 528 . 1 1 53 53 LYS HD3 H 1 1.60 . . 1 . . . . . . . . 4335 1 529 . 1 1 53 53 LYS HE2 H 1 2.85 . . 2 . . . . . . . . 4335 1 530 . 1 1 53 53 LYS HE3 H 1 2.73 . . 2 . . . . . . . . 4335 1 531 . 1 1 53 53 LYS C C 13 179.3 . . 1 . . . . . . . . 4335 1 532 . 1 1 53 53 LYS CA C 13 61.2 . . 1 . . . . . . . . 4335 1 533 . 1 1 53 53 LYS CB C 13 32.4 . . 1 . . . . . . . . 4335 1 534 . 1 1 53 53 LYS CG C 13 26.2 . . 1 . . . . . . . . 4335 1 535 . 1 1 53 53 LYS CD C 13 29.9 . . 1 . . . . . . . . 4335 1 536 . 1 1 53 53 LYS CE C 13 42.0 . . 1 . . . . . . . . 4335 1 537 . 1 1 53 53 LYS N N 15 121.6 . . 1 . . . . . . . . 4335 1 538 . 1 1 54 54 ASN H H 1 8.45 . . 1 . . . . . . . . 4335 1 539 . 1 1 54 54 ASN HA H 1 4.53 . . 1 . . . . . . . . 4335 1 540 . 1 1 54 54 ASN HB2 H 1 2.96 . . 2 . . . . . . . . 4335 1 541 . 1 1 54 54 ASN HB3 H 1 2.87 . . 2 . . . . . . . . 4335 1 542 . 1 1 54 54 ASN HD21 H 1 7.51 . . 2 . . . . . . . . 4335 1 543 . 1 1 54 54 ASN HD22 H 1 6.90 . . 2 . . . . . . . . 4335 1 544 . 1 1 54 54 ASN C C 13 178.4 . . 1 . . . . . . . . 4335 1 545 . 1 1 54 54 ASN CA C 13 55.9 . . 1 . . . . . . . . 4335 1 546 . 1 1 54 54 ASN CB C 13 37.8 . . 1 . . . . . . . . 4335 1 547 . 1 1 54 54 ASN N N 15 119.8 . . 1 . . . . . . . . 4335 1 548 . 1 1 54 54 ASN ND2 N 15 112.4 . . 1 . . . . . . . . 4335 1 549 . 1 1 55 55 ALA H H 1 8.19 . . 1 . . . . . . . . 4335 1 550 . 1 1 55 55 ALA HA H 1 4.17 . . 1 . . . . . . . . 4335 1 551 . 1 1 55 55 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 4335 1 552 . 1 1 55 55 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 4335 1 553 . 1 1 55 55 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 4335 1 554 . 1 1 55 55 ALA C C 13 180.8 . . 9 . . . . . . . . 4335 1 555 . 1 1 55 55 ALA CA C 13 54.9 . . 1 . . . . . . . . 4335 1 556 . 1 1 55 55 ALA CB C 13 17.8 . . 1 . . . . . . . . 4335 1 557 . 1 1 55 55 ALA N N 15 125.5 . . 1 . . . . . . . . 4335 1 558 . 1 1 56 56 PHE H H 1 8.79 . . 1 . . . . . . . . 4335 1 559 . 1 1 56 56 PHE HA H 1 4.10 . . 1 . . . . . . . . 4335 1 560 . 1 1 56 56 PHE HB2 H 1 3.07 . . 2 . . . . . . . . 4335 1 561 . 1 1 56 56 PHE HB3 H 1 2.94 . . 2 . . . . . . . . 4335 1 562 . 1 1 56 56 PHE C C 13 178.9 . . 9 . . . . . . . . 4335 1 563 . 1 1 56 56 PHE CA C 13 62.8 . . 1 . . . . . . . . 4335 1 564 . 1 1 56 56 PHE CB C 13 39.1 . . 1 . . . . . . . . 4335 1 565 . 1 1 56 56 PHE N N 15 121.1 . . 1 . . . . . . . . 4335 1 566 . 1 1 57 57 GLY H H 1 8.77 . . 1 . . . . . . . . 4335 1 567 . 1 1 57 57 GLY HA2 H 1 3.95 . . 2 . . . . . . . . 4335 1 568 . 1 1 57 57 GLY HA3 H 1 3.78 . . 2 . . . . . . . . 4335 1 569 . 1 1 57 57 GLY C C 13 175.4 . . 1 . . . . . . . . 4335 1 570 . 1 1 57 57 GLY CA C 13 47.5 . . 1 . . . . . . . . 4335 1 571 . 1 1 57 57 GLY N N 15 109.1 . . 1 . . . . . . . . 4335 1 572 . 1 1 58 58 GLY H H 1 8.18 . . 1 . . . . . . . . 4335 1 573 . 1 1 58 58 GLY HA2 H 1 4.04 . . 2 . . . . . . . . 4335 1 574 . 1 1 58 58 GLY HA3 H 1 3.94 . . 2 . . . . . . . . 4335 1 575 . 1 1 58 58 GLY C C 13 176.7 . . 1 . . . . . . . . 4335 1 576 . 1 1 58 58 GLY CA C 13 46.9 . . 1 . . . . . . . . 4335 1 577 . 1 1 58 58 GLY N N 15 109.0 . . 1 . . . . . . . . 4335 1 578 . 1 1 59 59 LEU H H 1 7.72 . . 1 . . . . . . . . 4335 1 579 . 1 1 59 59 LEU HA H 1 4.30 . . 1 . . . . . . . . 4335 1 580 . 1 1 59 59 LEU HB2 H 1 2.33 . . 1 . . . . . . . . 4335 1 581 . 1 1 59 59 LEU HB3 H 1 2.33 . . 1 . . . . . . . . 4335 1 582 . 1 1 59 59 LEU C C 13 177.7 . . 1 . . . . . . . . 4335 1 583 . 1 1 59 59 LEU CA C 13 58.1 . . 1 . . . . . . . . 4335 1 584 . 1 1 59 59 LEU CB C 13 41.5 . . 1 . . . . . . . . 4335 1 585 . 1 1 59 59 LEU N N 15 125.9 . . 1 . . . . . . . . 4335 1 586 . 1 1 60 60 PHE H H 1 8.02 . . 1 . . . . . . . . 4335 1 587 . 1 1 60 60 PHE HA H 1 3.34 . . 1 . . . . . . . . 4335 1 588 . 1 1 60 60 PHE HB2 H 1 3.16 . . 2 . . . . . . . . 4335 1 589 . 1 1 60 60 PHE HB3 H 1 2.34 . . 2 . . . . . . . . 4335 1 590 . 1 1 60 60 PHE C C 13 176.0 . . 1 . . . . . . . . 4335 1 591 . 1 1 60 60 PHE CA C 13 63.3 . . 1 . . . . . . . . 4335 1 592 . 1 1 60 60 PHE CB C 13 37.7 . . 1 . . . . . . . . 4335 1 593 . 1 1 60 60 PHE N N 15 120.9 . . 1 . . . . . . . . 4335 1 594 . 1 1 61 61 ASP H H 1 8.60 . . 1 . . . . . . . . 4335 1 595 . 1 1 61 61 ASP HA H 1 4.14 . . 1 . . . . . . . . 4335 1 596 . 1 1 61 61 ASP HB2 H 1 2.88 . . 2 . . . . . . . . 4335 1 597 . 1 1 61 61 ASP HB3 H 1 2.66 . . 2 . . . . . . . . 4335 1 598 . 1 1 61 61 ASP C C 13 179.0 . . 1 . . . . . . . . 4335 1 599 . 1 1 61 61 ASP CA C 13 57.9 . . 1 . . . . . . . . 4335 1 600 . 1 1 61 61 ASP CB C 13 40.3 . . 1 . . . . . . . . 4335 1 601 . 1 1 61 61 ASP N N 15 118.8 . . 1 . . . . . . . . 4335 1 602 . 1 1 62 62 TYR H H 1 7.77 . . 1 . . . . . . . . 4335 1 603 . 1 1 62 62 TYR HA H 1 4.04 . . 1 . . . . . . . . 4335 1 604 . 1 1 62 62 TYR HB2 H 1 3.18 . . 2 . . . . . . . . 4335 1 605 . 1 1 62 62 TYR HB3 H 1 3.14 . . 2 . . . . . . . . 4335 1 606 . 1 1 62 62 TYR C C 13 176.5 . . 1 . . . . . . . . 4335 1 607 . 1 1 62 62 TYR CA C 13 62.1 . . 1 . . . . . . . . 4335 1 608 . 1 1 62 62 TYR CB C 13 38.5 . . 1 . . . . . . . . 4335 1 609 . 1 1 62 62 TYR N N 15 121.3 . . 1 . . . . . . . . 4335 1 610 . 1 1 63 63 LEU H H 1 8.00 . . 1 . . . . . . . . 4335 1 611 . 1 1 63 63 LEU HA H 1 3.56 . . 1 . . . . . . . . 4335 1 612 . 1 1 63 63 LEU HB2 H 1 1.72 . . 2 . . . . . . . . 4335 1 613 . 1 1 63 63 LEU HB3 H 1 1.19 . . 2 . . . . . . . . 4335 1 614 . 1 1 63 63 LEU HG H 1 2.18 . . 1 . . . . . . . . 4335 1 615 . 1 1 63 63 LEU HD11 H 1 1.07 . . 2 . . . . . . . . 4335 1 616 . 1 1 63 63 LEU HD12 H 1 1.07 . . 2 . . . . . . . . 4335 1 617 . 1 1 63 63 LEU HD13 H 1 1.07 . . 2 . . . . . . . . 4335 1 618 . 1 1 63 63 LEU HD21 H 1 0.84 . . 2 . . . . . . . . 4335 1 619 . 1 1 63 63 LEU HD22 H 1 0.84 . . 2 . . . . . . . . 4335 1 620 . 1 1 63 63 LEU HD23 H 1 0.84 . . 2 . . . . . . . . 4335 1 621 . 1 1 63 63 LEU C C 13 178.3 . . 1 . . . . . . . . 4335 1 622 . 1 1 63 63 LEU CA C 13 57.9 . . 1 . . . . . . . . 4335 1 623 . 1 1 63 63 LEU CB C 13 42.0 . . 1 . . . . . . . . 4335 1 624 . 1 1 63 63 LEU CG C 13 26.4 . . 1 . . . . . . . . 4335 1 625 . 1 1 63 63 LEU CD1 C 13 26.7 . . 2 . . . . . . . . 4335 1 626 . 1 1 63 63 LEU CD2 C 13 22.3 . . 2 . . . . . . . . 4335 1 627 . 1 1 63 63 LEU N N 15 120.5 . . 1 . . . . . . . . 4335 1 628 . 1 1 64 64 ALA H H 1 8.89 . . 1 . . . . . . . . 4335 1 629 . 1 1 64 64 ALA HA H 1 3.55 . . 1 . . . . . . . . 4335 1 630 . 1 1 64 64 ALA HB1 H 1 0.75 . . 1 . . . . . . . . 4335 1 631 . 1 1 64 64 ALA HB2 H 1 0.75 . . 1 . . . . . . . . 4335 1 632 . 1 1 64 64 ALA HB3 H 1 0.75 . . 1 . . . . . . . . 4335 1 633 . 1 1 64 64 ALA C C 13 180.1 . . 1 . . . . . . . . 4335 1 634 . 1 1 64 64 ALA CA C 13 55.1 . . 1 . . . . . . . . 4335 1 635 . 1 1 64 64 ALA CB C 13 17.6 . . 1 . . . . . . . . 4335 1 636 . 1 1 64 64 ALA N N 15 120.4 . . 1 . . . . . . . . 4335 1 637 . 1 1 65 65 LYS H H 1 7.63 . . 1 . . . . . . . . 4335 1 638 . 1 1 65 65 LYS HA H 1 3.99 . . 1 . . . . . . . . 4335 1 639 . 1 1 65 65 LYS HB2 H 1 1.87 . . 1 . . . . . . . . 4335 1 640 . 1 1 65 65 LYS HB3 H 1 1.87 . . 1 . . . . . . . . 4335 1 641 . 1 1 65 65 LYS HG2 H 1 1.40 . . 2 . . . . . . . . 4335 1 642 . 1 1 65 65 LYS HG3 H 1 1.32 . . 2 . . . . . . . . 4335 1 643 . 1 1 65 65 LYS HD2 H 1 1.61 . . 1 . . . . . . . . 4335 1 644 . 1 1 65 65 LYS HD3 H 1 1.61 . . 1 . . . . . . . . 4335 1 645 . 1 1 65 65 LYS HE2 H 1 2.92 . . 1 . . . . . . . . 4335 1 646 . 1 1 65 65 LYS HE3 H 1 2.92 . . 1 . . . . . . . . 4335 1 647 . 1 1 65 65 LYS C C 13 180.7 . . 1 . . . . . . . . 4335 1 648 . 1 1 65 65 LYS CA C 13 59.3 . . 1 . . . . . . . . 4335 1 649 . 1 1 65 65 LYS CB C 13 31.6 . . 1 . . . . . . . . 4335 1 650 . 1 1 65 65 LYS CG C 13 24.7 . . 1 . . . . . . . . 4335 1 651 . 1 1 65 65 LYS CD C 13 29.1 . . 1 . . . . . . . . 4335 1 652 . 1 1 65 65 LYS CE C 13 42.2 . . 1 . . . . . . . . 4335 1 653 . 1 1 65 65 LYS N N 15 120.3 . . 1 . . . . . . . . 4335 1 654 . 1 1 66 66 GLU H H 1 7.77 . . 1 . . . . . . . . 4335 1 655 . 1 1 66 66 GLU HA H 1 3.81 . . 1 . . . . . . . . 4335 1 656 . 1 1 66 66 GLU HB2 H 1 1.92 . . 2 . . . . . . . . 4335 1 657 . 1 1 66 66 GLU HB3 H 1 1.71 . . 4 . . . . . . . . 4335 1 658 . 1 1 66 66 GLU HG2 H 1 1.86 . . 2 . . . . . . . . 4335 1 659 . 1 1 66 66 GLU HG3 H 1 1.74 . . 4 . . . . . . . . 4335 1 660 . 1 1 66 66 GLU C C 13 178.4 . . 1 . . . . . . . . 4335 1 661 . 1 1 66 66 GLU CA C 13 58.4 . . 1 . . . . . . . . 4335 1 662 . 1 1 66 66 GLU CB C 13 29.7 . . 1 . . . . . . . . 4335 1 663 . 1 1 66 66 GLU CG C 13 35.6 . . 1 . . . . . . . . 4335 1 664 . 1 1 66 66 GLU N N 15 120.4 . . 1 . . . . . . . . 4335 1 665 . 1 1 67 67 ALA H H 1 8.05 . . 1 . . . . . . . . 4335 1 666 . 1 1 67 67 ALA HA H 1 4.16 . . 1 . . . . . . . . 4335 1 667 . 1 1 67 67 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 4335 1 668 . 1 1 67 67 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 4335 1 669 . 1 1 67 67 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 4335 1 670 . 1 1 67 67 ALA C C 13 177.3 . . 1 . . . . . . . . 4335 1 671 . 1 1 67 67 ALA CA C 13 52.5 . . 1 . . . . . . . . 4335 1 672 . 1 1 67 67 ALA CB C 13 19.7 . . 1 . . . . . . . . 4335 1 673 . 1 1 67 67 ALA N N 15 120.4 . . 1 . . . . . . . . 4335 1 674 . 1 1 68 68 GLY H H 1 7.72 . . 1 . . . . . . . . 4335 1 675 . 1 1 68 68 GLY HA2 H 1 4.08 . . 2 . . . . . . . . 4335 1 676 . 1 1 68 68 GLY HA3 H 1 3.80 . . 2 . . . . . . . . 4335 1 677 . 1 1 68 68 GLY C C 13 174.9 . . 1 . . . . . . . . 4335 1 678 . 1 1 68 68 GLY CA C 13 46.0 . . 1 . . . . . . . . 4335 1 679 . 1 1 68 68 GLY N N 15 107.7 . . 1 . . . . . . . . 4335 1 680 . 1 1 69 69 VAL H H 1 7.84 . . 1 . . . . . . . . 4335 1 681 . 1 1 69 69 VAL HA H 1 4.40 . . 1 . . . . . . . . 4335 1 682 . 1 1 69 69 VAL HB H 1 2.24 . . 1 . . . . . . . . 4335 1 683 . 1 1 69 69 VAL HG11 H 1 1.07 . . 2 . . . . . . . . 4335 1 684 . 1 1 69 69 VAL HG12 H 1 1.07 . . 2 . . . . . . . . 4335 1 685 . 1 1 69 69 VAL HG13 H 1 1.07 . . 2 . . . . . . . . 4335 1 686 . 1 1 69 69 VAL HG21 H 1 0.90 . . 2 . . . . . . . . 4335 1 687 . 1 1 69 69 VAL HG22 H 1 0.90 . . 2 . . . . . . . . 4335 1 688 . 1 1 69 69 VAL HG23 H 1 0.90 . . 2 . . . . . . . . 4335 1 689 . 1 1 69 69 VAL C C 13 175.9 . . 1 . . . . . . . . 4335 1 690 . 1 1 69 69 VAL CA C 13 61.1 . . 1 . . . . . . . . 4335 1 691 . 1 1 69 69 VAL CB C 13 33.6 . . 1 . . . . . . . . 4335 1 692 . 1 1 69 69 VAL CG1 C 13 21.4 . . 2 . . . . . . . . 4335 1 693 . 1 1 69 69 VAL CG2 C 13 19.5 . . 2 . . . . . . . . 4335 1 694 . 1 1 69 69 VAL N N 15 116.3 . . 1 . . . . . . . . 4335 1 695 . 1 1 70 70 GLY H H 1 7.88 . . 1 . . . . . . . . 4335 1 696 . 1 1 70 70 GLY HA2 H 1 4.13 . . 2 . . . . . . . . 4335 1 697 . 1 1 70 70 GLY HA3 H 1 4.00 . . 2 . . . . . . . . 4335 1 698 . 1 1 70 70 GLY C C 13 174.6 . . 1 . . . . . . . . 4335 1 699 . 1 1 70 70 GLY CA C 13 44.7 . . 1 . . . . . . . . 4335 1 700 . 1 1 70 70 GLY N N 15 109.9 . . 1 . . . . . . . . 4335 1 701 . 1 1 71 71 SER H H 1 8.41 . . 1 . . . . . . . . 4335 1 702 . 1 1 71 71 SER HA H 1 4.19 . . 1 . . . . . . . . 4335 1 703 . 1 1 71 71 SER HB2 H 1 3.92 . . 1 . . . . . . . . 4335 1 704 . 1 1 71 71 SER HB3 H 1 3.92 . . 1 . . . . . . . . 4335 1 705 . 1 1 71 71 SER C C 13 175.0 . . 1 . . . . . . . . 4335 1 706 . 1 1 71 71 SER CA C 13 62.0 . . 1 . . . . . . . . 4335 1 707 . 1 1 71 71 SER CB C 13 63.5 . . 1 . . . . . . . . 4335 1 708 . 1 1 71 71 SER N N 15 115.5 . . 1 . . . . . . . . 4335 1 709 . 1 1 72 72 ASP H H 1 8.53 . . 1 . . . . . . . . 4335 1 710 . 1 1 72 72 ASP HA H 1 4.80 . . 1 . . . . . . . . 4335 1 711 . 1 1 72 72 ASP HB2 H 1 2.77 . . 2 . . . . . . . . 4335 1 712 . 1 1 72 72 ASP HB3 H 1 2.71 . . 2 . . . . . . . . 4335 1 713 . 1 1 72 72 ASP C C 13 176.6 . . 1 . . . . . . . . 4335 1 714 . 1 1 72 72 ASP CA C 13 53.5 . . 1 . . . . . . . . 4335 1 715 . 1 1 72 72 ASP CB C 13 40.4 . . 1 . . . . . . . . 4335 1 716 . 1 1 72 72 ASP N N 15 119.3 . . 1 . . . . . . . . 4335 1 717 . 1 1 73 73 GLY H H 1 7.82 . . 1 . . . . . . . . 4335 1 718 . 1 1 73 73 GLY HA2 H 1 4.42 . . 2 . . . . . . . . 4335 1 719 . 1 1 73 73 GLY HA3 H 1 3.73 . . 2 . . . . . . . . 4335 1 720 . 1 1 73 73 GLY C C 13 172.2 . . 1 . . . . . . . . 4335 1 721 . 1 1 73 73 GLY CA C 13 44.7 . . 1 . . . . . . . . 4335 1 722 . 1 1 73 73 GLY N N 15 109.6 . . 1 . . . . . . . . 4335 1 723 . 1 1 74 74 SER H H 1 8.07 . . 1 . . . . . . . . 4335 1 724 . 1 1 74 74 SER HA H 1 5.33 . . 1 . . . . . . . . 4335 1 725 . 1 1 74 74 SER HB2 H 1 3.76 . . 2 . . . . . . . . 4335 1 726 . 1 1 74 74 SER HB3 H 1 3.51 . . 2 . . . . . . . . 4335 1 727 . 1 1 74 74 SER C C 13 172.8 . . 1 . . . . . . . . 4335 1 728 . 1 1 74 74 SER CA C 13 57.3 . . 1 . . . . . . . . 4335 1 729 . 1 1 74 74 SER CB C 13 66.1 . . 1 . . . . . . . . 4335 1 730 . 1 1 74 74 SER N N 15 114.0 . . 1 . . . . . . . . 4335 1 731 . 1 1 75 75 LEU H H 1 9.48 . . 1 . . . . . . . . 4335 1 732 . 1 1 75 75 LEU HA H 1 5.15 . . 1 . . . . . . . . 4335 1 733 . 1 1 75 75 LEU HB2 H 1 1.98 . . 2 . . . . . . . . 4335 1 734 . 1 1 75 75 LEU HB3 H 1 1.82 . . 2 . . . . . . . . 4335 1 735 . 1 1 75 75 LEU HG H 1 1.74 . . 1 . . . . . . . . 4335 1 736 . 1 1 75 75 LEU HD11 H 1 0.79 . . 2 . . . . . . . . 4335 1 737 . 1 1 75 75 LEU HD12 H 1 0.79 . . 2 . . . . . . . . 4335 1 738 . 1 1 75 75 LEU HD13 H 1 0.79 . . 2 . . . . . . . . 4335 1 739 . 1 1 75 75 LEU HD21 H 1 0.72 . . 2 . . . . . . . . 4335 1 740 . 1 1 75 75 LEU HD22 H 1 0.72 . . 2 . . . . . . . . 4335 1 741 . 1 1 75 75 LEU HD23 H 1 0.72 . . 2 . . . . . . . . 4335 1 742 . 1 1 75 75 LEU C C 13 177.8 . . 1 . . . . . . . . 4335 1 743 . 1 1 75 75 LEU CA C 13 54.0 . . 1 . . . . . . . . 4335 1 744 . 1 1 75 75 LEU CB C 13 45.3 . . 1 . . . . . . . . 4335 1 745 . 1 1 75 75 LEU CG C 13 27.6 . . 1 . . . . . . . . 4335 1 746 . 1 1 75 75 LEU CD1 C 13 26.8 . . 2 . . . . . . . . 4335 1 747 . 1 1 75 75 LEU CD2 C 13 25.6 . . 2 . . . . . . . . 4335 1 748 . 1 1 75 75 LEU N N 15 123.0 . . 1 . . . . . . . . 4335 1 749 . 1 1 76 76 THR H H 1 8.83 . . 1 . . . . . . . . 4335 1 750 . 1 1 76 76 THR HA H 1 4.68 . . 1 . . . . . . . . 4335 1 751 . 1 1 76 76 THR HB H 1 4.77 . . 1 . . . . . . . . 4335 1 752 . 1 1 76 76 THR HG21 H 1 1.37 . . 1 . . . . . . . . 4335 1 753 . 1 1 76 76 THR HG22 H 1 1.37 . . 1 . . . . . . . . 4335 1 754 . 1 1 76 76 THR HG23 H 1 1.37 . . 1 . . . . . . . . 4335 1 755 . 1 1 76 76 THR C C 13 175.0 . . 1 . . . . . . . . 4335 1 756 . 1 1 76 76 THR CA C 13 60.7 . . 1 . . . . . . . . 4335 1 757 . 1 1 76 76 THR CB C 13 71.5 . . 1 . . . . . . . . 4335 1 758 . 1 1 76 76 THR CG2 C 13 21.8 . . 1 . . . . . . . . 4335 1 759 . 1 1 76 76 THR N N 15 114.7 . . 1 . . . . . . . . 4335 1 760 . 1 1 77 77 GLU H H 1 8.79 . . 1 . . . . . . . . 4335 1 761 . 1 1 77 77 GLU C C 13 177.7 . . 1 . . . . . . . . 4335 1 762 . 1 1 77 77 GLU CA C 13 60.6 . . 1 . . . . . . . . 4335 1 763 . 1 1 77 77 GLU CB C 13 29.7 . . 1 . . . . . . . . 4335 1 764 . 1 1 77 77 GLU CG C 13 35.9 . . 1 . . . . . . . . 4335 1 765 . 1 1 77 77 GLU N N 15 124.2 . . 1 . . . . . . . . 4335 1 766 . 1 1 78 78 GLU H H 1 8.31 . . 1 . . . . . . . . 4335 1 767 . 1 1 78 78 GLU HA H 1 3.87 . . 1 . . . . . . . . 4335 1 768 . 1 1 78 78 GLU HB2 H 1 2.02 . . 2 . . . . . . . . 4335 1 769 . 1 1 78 78 GLU HB3 H 1 1.90 . . 2 . . . . . . . . 4335 1 770 . 1 1 78 78 GLU HG2 H 1 2.28 . . 2 . . . . . . . . 4335 1 771 . 1 1 78 78 GLU HG3 H 1 2.23 . . 2 . . . . . . . . 4335 1 772 . 1 1 78 78 GLU C C 13 179.6 . . 1 . . . . . . . . 4335 1 773 . 1 1 78 78 GLU CA C 13 59.9 . . 1 . . . . . . . . 4335 1 774 . 1 1 78 78 GLU CB C 13 29.4 . . 1 . . . . . . . . 4335 1 775 . 1 1 78 78 GLU CG C 13 36.3 . . 1 . . . . . . . . 4335 1 776 . 1 1 78 78 GLU N N 15 117.9 . . 1 . . . . . . . . 4335 1 777 . 1 1 79 79 GLN H H 1 7.53 . . 1 . . . . . . . . 4335 1 778 . 1 1 79 79 GLN HA H 1 3.99 . . 1 . . . . . . . . 4335 1 779 . 1 1 79 79 GLN HB2 H 1 2.47 . . 2 . . . . . . . . 4335 1 780 . 1 1 79 79 GLN HB3 H 1 1.75 . . 2 . . . . . . . . 4335 1 781 . 1 1 79 79 GLN HE21 H 1 7.37 . . 2 . . . . . . . . 4335 1 782 . 1 1 79 79 GLN HE22 H 1 6.24 . . 2 . . . . . . . . 4335 1 783 . 1 1 79 79 GLN C C 13 177.8 . . 1 . . . . . . . . 4335 1 784 . 1 1 79 79 GLN CA C 13 59.0 . . 1 . . . . . . . . 4335 1 785 . 1 1 79 79 GLN CB C 13 29.5 . . 1 . . . . . . . . 4335 1 786 . 1 1 79 79 GLN CG C 13 34.5 . . 1 . . . . . . . . 4335 1 787 . 1 1 79 79 GLN N N 15 118.9 . . 1 . . . . . . . . 4335 1 788 . 1 1 79 79 GLN NE2 N 15 109.8 . . 1 . . . . . . . . 4335 1 789 . 1 1 80 80 PHE H H 1 8.91 . . 1 . . . . . . . . 4335 1 790 . 1 1 80 80 PHE HA H 1 4.11 . . 1 . . . . . . . . 4335 1 791 . 1 1 80 80 PHE HB2 H 1 3.41 . . 2 . . . . . . . . 4335 1 792 . 1 1 80 80 PHE HB3 H 1 3.28 . . 2 . . . . . . . . 4335 1 793 . 1 1 80 80 PHE C C 13 178.1 . . 1 . . . . . . . . 4335 1 794 . 1 1 80 80 PHE CA C 13 62.0 . . 1 . . . . . . . . 4335 1 795 . 1 1 80 80 PHE CB C 13 40.4 . . 1 . . . . . . . . 4335 1 796 . 1 1 80 80 PHE N N 15 119.6 . . 1 . . . . . . . . 4335 1 797 . 1 1 81 81 ILE H H 1 8.82 . . 1 . . . . . . . . 4335 1 798 . 1 1 81 81 ILE HA H 1 3.37 . . 1 . . . . . . . . 4335 1 799 . 1 1 81 81 ILE HB H 1 1.87 . . 1 . . . . . . . . 4335 1 800 . 1 1 81 81 ILE HG12 H 1 1.87 . . 2 . . . . . . . . 4335 1 801 . 1 1 81 81 ILE HG13 H 1 1.08 . . 2 . . . . . . . . 4335 1 802 . 1 1 81 81 ILE HG21 H 1 0.83 . . 1 . . . . . . . . 4335 1 803 . 1 1 81 81 ILE HG22 H 1 0.83 . . 1 . . . . . . . . 4335 1 804 . 1 1 81 81 ILE HG23 H 1 0.83 . . 1 . . . . . . . . 4335 1 805 . 1 1 81 81 ILE HD11 H 1 0.83 . . 1 . . . . . . . . 4335 1 806 . 1 1 81 81 ILE HD12 H 1 0.83 . . 1 . . . . . . . . 4335 1 807 . 1 1 81 81 ILE HD13 H 1 0.83 . . 1 . . . . . . . . 4335 1 808 . 1 1 81 81 ILE C C 13 176.6 . . 1 . . . . . . . . 4335 1 809 . 1 1 81 81 ILE CA C 13 65.9 . . 1 . . . . . . . . 4335 1 810 . 1 1 81 81 ILE CB C 13 37.7 . . 1 . . . . . . . . 4335 1 811 . 1 1 81 81 ILE CG1 C 13 29.6 . . 1 . . . . . . . . 4335 1 812 . 1 1 81 81 ILE CG2 C 13 17.0 . . 1 . . . . . . . . 4335 1 813 . 1 1 81 81 ILE CD1 C 13 13.6 . . 1 . . . . . . . . 4335 1 814 . 1 1 81 81 ILE N N 15 122.1 . . 1 . . . . . . . . 4335 1 815 . 1 1 82 82 ARG H H 1 7.89 . . 1 . . . . . . . . 4335 1 816 . 1 1 82 82 ARG HA H 1 4.04 . . 1 . . . . . . . . 4335 1 817 . 1 1 82 82 ARG HD2 H 1 3.22 . . 1 . . . . . . . . 4335 1 818 . 1 1 82 82 ARG HD3 H 1 3.22 . . 1 . . . . . . . . 4335 1 819 . 1 1 82 82 ARG C C 13 179.7 . . 1 . . . . . . . . 4335 1 820 . 1 1 82 82 ARG CA C 13 59.9 . . 1 . . . . . . . . 4335 1 821 . 1 1 82 82 ARG CB C 13 30.3 . . 1 . . . . . . . . 4335 1 822 . 1 1 82 82 ARG CG C 13 26.9 . . 1 . . . . . . . . 4335 1 823 . 1 1 82 82 ARG CD C 13 43.5 . . 1 . . . . . . . . 4335 1 824 . 1 1 82 82 ARG N N 15 120.2 . . 1 . . . . . . . . 4335 1 825 . 1 1 83 83 VAL H H 1 8.37 . . 1 . . . . . . . . 4335 1 826 . 1 1 83 83 VAL HA H 1 3.91 . . 1 . . . . . . . . 4335 1 827 . 1 1 83 83 VAL HB H 1 2.06 . . 1 . . . . . . . . 4335 1 828 . 1 1 83 83 VAL HG11 H 1 0.98 . . 2 . . . . . . . . 4335 1 829 . 1 1 83 83 VAL HG12 H 1 0.98 . . 2 . . . . . . . . 4335 1 830 . 1 1 83 83 VAL HG13 H 1 0.98 . . 2 . . . . . . . . 4335 1 831 . 1 1 83 83 VAL HG21 H 1 1.09 . . 2 . . . . . . . . 4335 1 832 . 1 1 83 83 VAL HG22 H 1 1.09 . . 2 . . . . . . . . 4335 1 833 . 1 1 83 83 VAL HG23 H 1 1.09 . . 2 . . . . . . . . 4335 1 834 . 1 1 83 83 VAL C C 13 179.0 . . 1 . . . . . . . . 4335 1 835 . 1 1 83 83 VAL CA C 13 65.8 . . 1 . . . . . . . . 4335 1 836 . 1 1 83 83 VAL CB C 13 31.7 . . 1 . . . . . . . . 4335 1 837 . 1 1 83 83 VAL CG1 C 13 22.6 . . 2 . . . . . . . . 4335 1 838 . 1 1 83 83 VAL CG2 C 13 21.5 . . 2 . . . . . . . . 4335 1 839 . 1 1 83 83 VAL N N 15 116.0 . . 1 . . . . . . . . 4335 1 840 . 1 1 84 84 THR H H 1 7.85 . . 1 . . . . . . . . 4335 1 841 . 1 1 84 84 THR HA H 1 3.68 . . 1 . . . . . . . . 4335 1 842 . 1 1 84 84 THR HB H 1 4.04 . . 1 . . . . . . . . 4335 1 843 . 1 1 84 84 THR HG21 H 1 1.14 . . 1 . . . . . . . . 4335 1 844 . 1 1 84 84 THR HG22 H 1 1.14 . . 1 . . . . . . . . 4335 1 845 . 1 1 84 84 THR HG23 H 1 1.14 . . 1 . . . . . . . . 4335 1 846 . 1 1 84 84 THR C C 13 176.6 . . 1 . . . . . . . . 4335 1 847 . 1 1 84 84 THR CA C 13 61.6 . . 1 . . . . . . . . 4335 1 848 . 1 1 84 84 THR CB C 13 68.9 . . 1 . . . . . . . . 4335 1 849 . 1 1 84 84 THR CG2 C 13 20.9 . . 1 . . . . . . . . 4335 1 850 . 1 1 84 84 THR N N 15 117.9 . . 1 . . . . . . . . 4335 1 851 . 1 1 85 85 GLU H H 1 8.74 . . 1 . . . . . . . . 4335 1 852 . 1 1 85 85 GLU HA H 1 3.80 . . 1 . . . . . . . . 4335 1 853 . 1 1 85 85 GLU HB2 H 1 2.22 . . 2 . . . . . . . . 4335 1 854 . 1 1 85 85 GLU HB3 H 1 2.08 . . 2 . . . . . . . . 4335 1 855 . 1 1 85 85 GLU HG2 H 1 2.52 . . 2 . . . . . . . . 4335 1 856 . 1 1 85 85 GLU HG3 H 1 2.07 . . 2 . . . . . . . . 4335 1 857 . 1 1 85 85 GLU C C 13 178.5 . . 1 . . . . . . . . 4335 1 858 . 1 1 85 85 GLU CA C 13 60.5 . . 1 . . . . . . . . 4335 1 859 . 1 1 85 85 GLU CB C 13 28.9 . . 1 . . . . . . . . 4335 1 860 . 1 1 85 85 GLU CG C 13 37.1 . . 1 . . . . . . . . 4335 1 861 . 1 1 85 85 GLU N N 15 122.9 . . 1 . . . . . . . . 4335 1 862 . 1 1 86 86 ASN H H 1 7.72 . . 1 . . . . . . . . 4335 1 863 . 1 1 86 86 ASN HA H 1 4.41 . . 1 . . . . . . . . 4335 1 864 . 1 1 86 86 ASN HB2 H 1 2.93 . . 2 . . . . . . . . 4335 1 865 . 1 1 86 86 ASN HB3 H 1 2.83 . . 2 . . . . . . . . 4335 1 866 . 1 1 86 86 ASN HD21 H 1 7.80 . . 2 . . . . . . . . 4335 1 867 . 1 1 86 86 ASN HD22 H 1 6.85 . . 2 . . . . . . . . 4335 1 868 . 1 1 86 86 ASN C C 13 177.1 . . 1 . . . . . . . . 4335 1 869 . 1 1 86 86 ASN CA C 13 56.9 . . 1 . . . . . . . . 4335 1 870 . 1 1 86 86 ASN CB C 13 39.1 . . 1 . . . . . . . . 4335 1 871 . 1 1 86 86 ASN N N 15 118.2 . . 1 . . . . . . . . 4335 1 872 . 1 1 86 86 ASN ND2 N 15 113.4 . . 1 . . . . . . . . 4335 1 873 . 1 1 87 87 LEU H H 1 7.69 . . 1 . . . . . . . . 4335 1 874 . 1 1 87 87 LEU HA H 1 4.04 . . 1 . . . . . . . . 4335 1 875 . 1 1 87 87 LEU HB2 H 1 1.99 . . 2 . . . . . . . . 4335 1 876 . 1 1 87 87 LEU HB3 H 1 1.74 . . 2 . . . . . . . . 4335 1 877 . 1 1 87 87 LEU HG H 1 1.55 . . 1 . . . . . . . . 4335 1 878 . 1 1 87 87 LEU HD11 H 1 0.67 . . 2 . . . . . . . . 4335 1 879 . 1 1 87 87 LEU HD12 H 1 0.67 . . 2 . . . . . . . . 4335 1 880 . 1 1 87 87 LEU HD13 H 1 0.67 . . 2 . . . . . . . . 4335 1 881 . 1 1 87 87 LEU HD21 H 1 0.71 . . 2 . . . . . . . . 4335 1 882 . 1 1 87 87 LEU HD22 H 1 0.71 . . 2 . . . . . . . . 4335 1 883 . 1 1 87 87 LEU HD23 H 1 0.71 . . 2 . . . . . . . . 4335 1 884 . 1 1 87 87 LEU C C 13 176.9 . . 1 . . . . . . . . 4335 1 885 . 1 1 87 87 LEU CA C 13 58.1 . . 1 . . . . . . . . 4335 1 886 . 1 1 87 87 LEU CB C 13 42.6 . . 1 . . . . . . . . 4335 1 887 . 1 1 87 87 LEU CG C 13 27.6 . . 1 . . . . . . . . 4335 1 888 . 1 1 87 87 LEU CD1 C 13 25.0 . . 2 . . . . . . . . 4335 1 889 . 1 1 87 87 LEU CD2 C 13 22.7 . . 2 . . . . . . . . 4335 1 890 . 1 1 87 87 LEU N N 15 121.1 . . 1 . . . . . . . . 4335 1 891 . 1 1 88 88 ILE H H 1 7.97 . . 1 . . . . . . . . 4335 1 892 . 1 1 88 88 ILE HA H 1 3.49 . . 1 . . . . . . . . 4335 1 893 . 1 1 88 88 ILE HB H 1 1.26 . . 1 . . . . . . . . 4335 1 894 . 1 1 88 88 ILE HG12 H 1 1.38 . . 2 . . . . . . . . 4335 1 895 . 1 1 88 88 ILE HG13 H 1 0.80 . . 2 . . . . . . . . 4335 1 896 . 1 1 88 88 ILE HG21 H 1 0.03 . . 1 . . . . . . . . 4335 1 897 . 1 1 88 88 ILE HG22 H 1 0.03 . . 1 . . . . . . . . 4335 1 898 . 1 1 88 88 ILE HG23 H 1 0.03 . . 1 . . . . . . . . 4335 1 899 . 1 1 88 88 ILE HD11 H 1 0.27 . . 1 . . . . . . . . 4335 1 900 . 1 1 88 88 ILE HD12 H 1 0.27 . . 1 . . . . . . . . 4335 1 901 . 1 1 88 88 ILE HD13 H 1 0.27 . . 1 . . . . . . . . 4335 1 902 . 1 1 88 88 ILE C C 13 176.9 . . 1 . . . . . . . . 4335 1 903 . 1 1 88 88 ILE CA C 13 64.4 . . 1 . . . . . . . . 4335 1 904 . 1 1 88 88 ILE CB C 13 38.5 . . 1 . . . . . . . . 4335 1 905 . 1 1 88 88 ILE CG1 C 13 28.8 . . 1 . . . . . . . . 4335 1 906 . 1 1 88 88 ILE CG2 C 13 17.6 . . 1 . . . . . . . . 4335 1 907 . 1 1 88 88 ILE CD1 C 13 13.2 . . 1 . . . . . . . . 4335 1 908 . 1 1 88 88 ILE N N 15 115.2 . . 1 . . . . . . . . 4335 1 909 . 1 1 89 89 PHE H H 1 8.25 . . 1 . . . . . . . . 4335 1 910 . 1 1 89 89 PHE HA H 1 4.64 . . 1 . . . . . . . . 4335 1 911 . 1 1 89 89 PHE HB2 H 1 3.24 . . 2 . . . . . . . . 4335 1 912 . 1 1 89 89 PHE HB3 H 1 3.06 . . 2 . . . . . . . . 4335 1 913 . 1 1 89 89 PHE C C 13 177.3 . . 1 . . . . . . . . 4335 1 914 . 1 1 89 89 PHE CA C 13 59.4 . . 1 . . . . . . . . 4335 1 915 . 1 1 89 89 PHE CB C 13 39.4 . . 1 . . . . . . . . 4335 1 916 . 1 1 89 89 PHE N N 15 115.4 . . 1 . . . . . . . . 4335 1 917 . 1 1 90 90 GLU H H 1 7.85 . . 1 . . . . . . . . 4335 1 918 . 1 1 90 90 GLU HA H 1 4.61 . . 1 . . . . . . . . 4335 1 919 . 1 1 90 90 GLU HB2 H 1 2.26 . . 1 . . . . . . . . 4335 1 920 . 1 1 90 90 GLU HB3 H 1 2.26 . . 1 . . . . . . . . 4335 1 921 . 1 1 90 90 GLU HG2 H 1 2.35 . . 1 . . . . . . . . 4335 1 922 . 1 1 90 90 GLU HG3 H 1 2.35 . . 1 . . . . . . . . 4335 1 923 . 1 1 90 90 GLU C C 13 177.3 . . 1 . . . . . . . . 4335 1 924 . 1 1 90 90 GLU CA C 13 57.3 . . 1 . . . . . . . . 4335 1 925 . 1 1 90 90 GLU CB C 13 30.6 . . 1 . . . . . . . . 4335 1 926 . 1 1 90 90 GLU CG C 13 36.2 . . 1 . . . . . . . . 4335 1 927 . 1 1 90 90 GLU N N 15 118.6 . . 1 . . . . . . . . 4335 1 928 . 1 1 91 91 GLN H H 1 7.78 . . 1 . . . . . . . . 4335 1 929 . 1 1 91 91 GLN HA H 1 4.37 . . 1 . . . . . . . . 4335 1 930 . 1 1 91 91 GLN HB2 H 1 2.31 . . 1 . . . . . . . . 4335 1 931 . 1 1 91 91 GLN HB3 H 1 2.31 . . 1 . . . . . . . . 4335 1 932 . 1 1 91 91 GLN HG2 H 1 2.44 . . 2 . . . . . . . . 4335 1 933 . 1 1 91 91 GLN HG3 H 1 2.38 . . 2 . . . . . . . . 4335 1 934 . 1 1 91 91 GLN HE21 H 1 7.50 . . 2 . . . . . . . . 4335 1 935 . 1 1 91 91 GLN HE22 H 1 6.70 . . 2 . . . . . . . . 4335 1 936 . 1 1 91 91 GLN C C 13 176.9 . . 1 . . . . . . . . 4335 1 937 . 1 1 91 91 GLN CA C 13 56.7 . . 1 . . . . . . . . 4335 1 938 . 1 1 91 91 GLN CB C 13 29.3 . . 1 . . . . . . . . 4335 1 939 . 1 1 91 91 GLN CG C 13 34.4 . . 1 . . . . . . . . 4335 1 940 . 1 1 91 91 GLN N N 15 119.1 . . 1 . . . . . . . . 4335 1 941 . 1 1 91 91 GLN NE2 N 15 113.3 . . 1 . . . . . . . . 4335 1 942 . 1 1 92 92 GLY H H 1 8.24 . . 1 . . . . . . . . 4335 1 943 . 1 1 92 92 GLY HA2 H 1 4.15 . . 2 . . . . . . . . 4335 1 944 . 1 1 92 92 GLY HA3 H 1 4.01 . . 2 . . . . . . . . 4335 1 945 . 1 1 92 92 GLY C C 13 174.8 . . 1 . . . . . . . . 4335 1 946 . 1 1 92 92 GLY CA C 13 45.1 . . 1 . . . . . . . . 4335 1 947 . 1 1 92 92 GLY N N 15 108.9 . . 1 . . . . . . . . 4335 1 948 . 1 1 93 93 GLU H H 1 8.65 . . 1 . . . . . . . . 4335 1 949 . 1 1 93 93 GLU HA H 1 3.91 . . 1 . . . . . . . . 4335 1 950 . 1 1 93 93 GLU HB2 H 1 2.02 . . 1 . . . . . . . . 4335 1 951 . 1 1 93 93 GLU HB3 H 1 2.02 . . 1 . . . . . . . . 4335 1 952 . 1 1 93 93 GLU C C 13 177.2 . . 1 . . . . . . . . 4335 1 953 . 1 1 93 93 GLU CA C 13 59.8 . . 1 . . . . . . . . 4335 1 954 . 1 1 93 93 GLU CB C 13 29.9 . . 1 . . . . . . . . 4335 1 955 . 1 1 93 93 GLU CG C 13 36.3 . . 1 . . . . . . . . 4335 1 956 . 1 1 93 93 GLU N N 15 122.1 . . 1 . . . . . . . . 4335 1 957 . 1 1 94 94 ALA H H 1 8.42 . . 1 . . . . . . . . 4335 1 958 . 1 1 94 94 ALA HA H 1 4.18 . . 1 . . . . . . . . 4335 1 959 . 1 1 94 94 ALA HB1 H 1 1.42 . . 1 . . . . . . . . 4335 1 960 . 1 1 94 94 ALA HB2 H 1 1.42 . . 1 . . . . . . . . 4335 1 961 . 1 1 94 94 ALA HB3 H 1 1.42 . . 1 . . . . . . . . 4335 1 962 . 1 1 94 94 ALA C C 13 180.6 . . 1 . . . . . . . . 4335 1 963 . 1 1 94 94 ALA CA C 13 55.2 . . 1 . . . . . . . . 4335 1 964 . 1 1 94 94 ALA CB C 13 18.2 . . 1 . . . . . . . . 4335 1 965 . 1 1 94 94 ALA N N 15 122.1 . . 1 . . . . . . . . 4335 1 966 . 1 1 95 95 SER H H 1 7.97 . . 1 . . . . . . . . 4335 1 967 . 1 1 95 95 SER HA H 1 4.20 . . 1 . . . . . . . . 4335 1 968 . 1 1 95 95 SER HB2 H 1 3.91 . . 2 . . . . . . . . 4335 1 969 . 1 1 95 95 SER HB3 H 1 3.78 . . 2 . . . . . . . . 4335 1 970 . 1 1 95 95 SER C C 13 175.1 . . 1 . . . . . . . . 4335 1 971 . 1 1 95 95 SER CA C 13 61.3 . . 1 . . . . . . . . 4335 1 972 . 1 1 95 95 SER CB C 13 63.1 . . 1 . . . . . . . . 4335 1 973 . 1 1 95 95 SER N N 15 115.7 . . 1 . . . . . . . . 4335 1 974 . 1 1 96 96 PHE H H 1 8.01 . . 1 . . . . . . . . 4335 1 975 . 1 1 96 96 PHE HA H 1 3.72 . . 1 . . . . . . . . 4335 1 976 . 1 1 96 96 PHE HB2 H 1 3.20 . . 2 . . . . . . . . 4335 1 977 . 1 1 96 96 PHE HB3 H 1 3.13 . . 2 . . . . . . . . 4335 1 978 . 1 1 96 96 PHE C C 13 176.9 . . 1 . . . . . . . . 4335 1 979 . 1 1 96 96 PHE CA C 13 62.2 . . 1 . . . . . . . . 4335 1 980 . 1 1 96 96 PHE CB C 13 39.3 . . 1 . . . . . . . . 4335 1 981 . 1 1 96 96 PHE N N 15 123.7 . . 1 . . . . . . . . 4335 1 982 . 1 1 97 97 ASN H H 1 8.71 . . 1 . . . . . . . . 4335 1 983 . 1 1 97 97 ASN HA H 1 4.20 . . 1 . . . . . . . . 4335 1 984 . 1 1 97 97 ASN HB2 H 1 2.88 . . 2 . . . . . . . . 4335 1 985 . 1 1 97 97 ASN HB3 H 1 2.69 . . 2 . . . . . . . . 4335 1 986 . 1 1 97 97 ASN HD21 H 1 7.22 . . 2 . . . . . . . . 4335 1 987 . 1 1 97 97 ASN HD22 H 1 6.70 . . 2 . . . . . . . . 4335 1 988 . 1 1 97 97 ASN C C 13 178.8 . . 1 . . . . . . . . 4335 1 989 . 1 1 97 97 ASN CA C 13 56.0 . . 1 . . . . . . . . 4335 1 990 . 1 1 97 97 ASN CB C 13 37.5 . . 1 . . . . . . . . 4335 1 991 . 1 1 97 97 ASN N N 15 118.8 . . 1 . . . . . . . . 4335 1 992 . 1 1 97 97 ASN ND2 N 15 108.8 . . 1 . . . . . . . . 4335 1 993 . 1 1 98 98 ARG H H 1 7.78 . . 1 . . . . . . . . 4335 1 994 . 1 1 98 98 ARG HA H 1 3.99 . . 1 . . . . . . . . 4335 1 995 . 1 1 98 98 ARG HB2 H 1 1.89 . . 1 . . . . . . . . 4335 1 996 . 1 1 98 98 ARG HB3 H 1 1.89 . . 1 . . . . . . . . 4335 1 997 . 1 1 98 98 ARG HG2 H 1 1.69 . . 2 . . . . . . . . 4335 1 998 . 1 1 98 98 ARG HG3 H 1 1.53 . . 2 . . . . . . . . 4335 1 999 . 1 1 98 98 ARG HD2 H 1 3.20 . . 1 . . . . . . . . 4335 1 1000 . 1 1 98 98 ARG HD3 H 1 3.20 . . 1 . . . . . . . . 4335 1 1001 . 1 1 98 98 ARG C C 13 177.4 . . 1 . . . . . . . . 4335 1 1002 . 1 1 98 98 ARG CA C 13 59.2 . . 1 . . . . . . . . 4335 1 1003 . 1 1 98 98 ARG CB C 13 30.3 . . 1 . . . . . . . . 4335 1 1004 . 1 1 98 98 ARG CG C 13 27.6 . . 1 . . . . . . . . 4335 1 1005 . 1 1 98 98 ARG CD C 13 43.5 . . 1 . . . . . . . . 4335 1 1006 . 1 1 98 98 ARG N N 15 121.8 . . 1 . . . . . . . . 4335 1 1007 . 1 1 99 99 VAL H H 1 7.41 . . 1 . . . . . . . . 4335 1 1008 . 1 1 99 99 VAL HA H 1 3.65 . . 1 . . . . . . . . 4335 1 1009 . 1 1 99 99 VAL HB H 1 1.47 . . 1 . . . . . . . . 4335 1 1010 . 1 1 99 99 VAL HG11 H 1 0.39 . . 2 . . . . . . . . 4335 1 1011 . 1 1 99 99 VAL HG12 H 1 0.39 . . 2 . . . . . . . . 4335 1 1012 . 1 1 99 99 VAL HG13 H 1 0.39 . . 2 . . . . . . . . 4335 1 1013 . 1 1 99 99 VAL HG21 H 1 0.29 . . 2 . . . . . . . . 4335 1 1014 . 1 1 99 99 VAL HG22 H 1 0.29 . . 2 . . . . . . . . 4335 1 1015 . 1 1 99 99 VAL HG23 H 1 0.29 . . 2 . . . . . . . . 4335 1 1016 . 1 1 99 99 VAL C C 13 176.7 . . 1 . . . . . . . . 4335 1 1017 . 1 1 99 99 VAL CA C 13 64.7 . . 1 . . . . . . . . 4335 1 1018 . 1 1 99 99 VAL CB C 13 32.0 . . 1 . . . . . . . . 4335 1 1019 . 1 1 99 99 VAL CG1 C 13 21.3 . . 1 . . . . . . . . 4335 1 1020 . 1 1 99 99 VAL CG2 C 13 21.3 . . 1 . . . . . . . . 4335 1 1021 . 1 1 99 99 VAL N N 15 117.3 . . 1 . . . . . . . . 4335 1 1022 . 1 1 100 100 LEU H H 1 8.08 . . 1 . . . . . . . . 4335 1 1023 . 1 1 100 100 LEU HA H 1 4.17 . . 1 . . . . . . . . 4335 1 1024 . 1 1 100 100 LEU HB2 H 1 1.09 . . 1 . . . . . . . . 4335 1 1025 . 1 1 100 100 LEU HB3 H 1 1.09 . . 1 . . . . . . . . 4335 1 1026 . 1 1 100 100 LEU HG H 1 1.35 . . 1 . . . . . . . . 4335 1 1027 . 1 1 100 100 LEU HD11 H 1 0.55 . . 2 . . . . . . . . 4335 1 1028 . 1 1 100 100 LEU HD12 H 1 0.55 . . 2 . . . . . . . . 4335 1 1029 . 1 1 100 100 LEU HD13 H 1 0.55 . . 2 . . . . . . . . 4335 1 1030 . 1 1 100 100 LEU HD21 H 1 0.43 . . 2 . . . . . . . . 4335 1 1031 . 1 1 100 100 LEU HD22 H 1 0.43 . . 2 . . . . . . . . 4335 1 1032 . 1 1 100 100 LEU HD23 H 1 0.43 . . 2 . . . . . . . . 4335 1 1033 . 1 1 100 100 LEU C C 13 178.9 . . 1 . . . . . . . . 4335 1 1034 . 1 1 100 100 LEU CA C 13 53.9 . . 1 . . . . . . . . 4335 1 1035 . 1 1 100 100 LEU CB C 13 41.1 . . 1 . . . . . . . . 4335 1 1036 . 1 1 100 100 LEU CG C 13 28.4 . . 1 . . . . . . . . 4335 1 1037 . 1 1 100 100 LEU CD1 C 13 23.9 . . 2 . . . . . . . . 4335 1 1038 . 1 1 100 100 LEU CD2 C 13 23.4 . . 2 . . . . . . . . 4335 1 1039 . 1 1 100 100 LEU N N 15 119.3 . . 1 . . . . . . . . 4335 1 1040 . 1 1 101 101 GLY H H 1 7.77 . . 1 . . . . . . . . 4335 1 1041 . 1 1 101 101 GLY HA2 H 1 4.29 . . 2 . . . . . . . . 4335 1 1042 . 1 1 101 101 GLY HA3 H 1 3.70 . . 2 . . . . . . . . 4335 1 1043 . 1 1 101 101 GLY CA C 13 49.4 . . 1 . . . . . . . . 4335 1 1044 . 1 1 101 101 GLY N N 15 110.3 . . 1 . . . . . . . . 4335 1 1045 . 1 1 102 102 PRO HA H 1 4.11 . . 1 . . . . . . . . 4335 1 1046 . 1 1 102 102 PRO HB2 H 1 2.35 . . 2 . . . . . . . . 4335 1 1047 . 1 1 102 102 PRO HB3 H 1 1.86 . . 2 . . . . . . . . 4335 1 1048 . 1 1 102 102 PRO HG2 H 1 2.09 . . 1 . . . . . . . . 4335 1 1049 . 1 1 102 102 PRO HG3 H 1 2.09 . . 1 . . . . . . . . 4335 1 1050 . 1 1 102 102 PRO HD2 H 1 3.49 . . 2 . . . . . . . . 4335 1 1051 . 1 1 102 102 PRO HD3 H 1 3.36 . . 2 . . . . . . . . 4335 1 1052 . 1 1 102 102 PRO C C 13 179.6 . . 1 . . . . . . . . 4335 1 1053 . 1 1 102 102 PRO CA C 13 65.5 . . 1 . . . . . . . . 4335 1 1054 . 1 1 102 102 PRO CB C 13 32.3 . . 1 . . . . . . . . 4335 1 1055 . 1 1 102 102 PRO CG C 13 28.4 . . 1 . . . . . . . . 4335 1 1056 . 1 1 102 102 PRO CD C 13 51.4 . . 1 . . . . . . . . 4335 1 1057 . 1 1 103 103 VAL H H 1 6.89 . . 1 . . . . . . . . 4335 1 1058 . 1 1 103 103 VAL HA H 1 3.27 . . 1 . . . . . . . . 4335 1 1059 . 1 1 103 103 VAL HB H 1 2.09 . . 1 . . . . . . . . 4335 1 1060 . 1 1 103 103 VAL HG11 H 1 0.56 . . 2 . . . . . . . . 4335 1 1061 . 1 1 103 103 VAL HG12 H 1 0.56 . . 2 . . . . . . . . 4335 1 1062 . 1 1 103 103 VAL HG13 H 1 0.56 . . 2 . . . . . . . . 4335 1 1063 . 1 1 103 103 VAL HG21 H 1 0.46 . . 2 . . . . . . . . 4335 1 1064 . 1 1 103 103 VAL HG22 H 1 0.46 . . 2 . . . . . . . . 4335 1 1065 . 1 1 103 103 VAL HG23 H 1 0.46 . . 2 . . . . . . . . 4335 1 1066 . 1 1 103 103 VAL C C 13 176.5 . . 1 . . . . . . . . 4335 1 1067 . 1 1 103 103 VAL CA C 13 65.9 . . 1 . . . . . . . . 4335 1 1068 . 1 1 103 103 VAL CB C 13 31.7 . . 1 . . . . . . . . 4335 1 1069 . 1 1 103 103 VAL CG1 C 13 22.4 . . 2 . . . . . . . . 4335 1 1070 . 1 1 103 103 VAL CG2 C 13 21.5 . . 2 . . . . . . . . 4335 1 1071 . 1 1 103 103 VAL N N 15 117.2 . . 1 . . . . . . . . 4335 1 1072 . 1 1 104 104 VAL H H 1 7.83 . . 1 . . . . . . . . 4335 1 1073 . 1 1 104 104 VAL HA H 1 3.43 . . 1 . . . . . . . . 4335 1 1074 . 1 1 104 104 VAL HB H 1 1.99 . . 1 . . . . . . . . 4335 1 1075 . 1 1 104 104 VAL HG11 H 1 0.98 . . 1 . . . . . . . . 4335 1 1076 . 1 1 104 104 VAL HG12 H 1 0.98 . . 1 . . . . . . . . 4335 1 1077 . 1 1 104 104 VAL HG13 H 1 0.98 . . 1 . . . . . . . . 4335 1 1078 . 1 1 104 104 VAL HG21 H 1 0.98 . . 1 . . . . . . . . 4335 1 1079 . 1 1 104 104 VAL HG22 H 1 0.98 . . 1 . . . . . . . . 4335 1 1080 . 1 1 104 104 VAL HG23 H 1 0.98 . . 1 . . . . . . . . 4335 1 1081 . 1 1 104 104 VAL C C 13 177.8 . . 1 . . . . . . . . 4335 1 1082 . 1 1 104 104 VAL CA C 13 67.5 . . 1 . . . . . . . . 4335 1 1083 . 1 1 104 104 VAL CB C 13 31.6 . . 1 . . . . . . . . 4335 1 1084 . 1 1 104 104 VAL CG1 C 13 23.8 . . 1 . . . . . . . . 4335 1 1085 . 1 1 104 104 VAL CG2 C 13 23.8 . . 1 . . . . . . . . 4335 1 1086 . 1 1 104 104 VAL N N 15 119.6 . . 1 . . . . . . . . 4335 1 1087 . 1 1 105 105 LYS H H 1 8.98 . . 1 . . . . . . . . 4335 1 1088 . 1 1 105 105 LYS HA H 1 3.71 . . 1 . . . . . . . . 4335 1 1089 . 1 1 105 105 LYS HB2 H 1 1.74 . . 1 . . . . . . . . 4335 1 1090 . 1 1 105 105 LYS HB3 H 1 1.74 . . 1 . . . . . . . . 4335 1 1091 . 1 1 105 105 LYS HG2 H 1 1.42 . . 1 . . . . . . . . 4335 1 1092 . 1 1 105 105 LYS HG3 H 1 1.42 . . 1 . . . . . . . . 4335 1 1093 . 1 1 105 105 LYS HD2 H 1 1.56 . . 1 . . . . . . . . 4335 1 1094 . 1 1 105 105 LYS HD3 H 1 1.56 . . 1 . . . . . . . . 4335 1 1095 . 1 1 105 105 LYS HE2 H 1 2.87 . . 1 . . . . . . . . 4335 1 1096 . 1 1 105 105 LYS HE3 H 1 2.87 . . 1 . . . . . . . . 4335 1 1097 . 1 1 105 105 LYS C C 13 179.2 . . 1 . . . . . . . . 4335 1 1098 . 1 1 105 105 LYS CA C 13 60.2 . . 1 . . . . . . . . 4335 1 1099 . 1 1 105 105 LYS CB C 13 32.6 . . 1 . . . . . . . . 4335 1 1100 . 1 1 105 105 LYS CG C 13 26.0 . . 1 . . . . . . . . 4335 1 1101 . 1 1 105 105 LYS CD C 13 29.5 . . 1 . . . . . . . . 4335 1 1102 . 1 1 105 105 LYS CE C 13 42.1 . . 1 . . . . . . . . 4335 1 1103 . 1 1 105 105 LYS N N 15 120.2 . . 1 . . . . . . . . 4335 1 1104 . 1 1 106 106 GLY H H 1 7.73 . . 1 . . . . . . . . 4335 1 1105 . 1 1 106 106 GLY HA2 H 1 3.80 . . 2 . . . . . . . . 4335 1 1106 . 1 1 106 106 GLY HA3 H 1 3.38 . . 2 . . . . . . . . 4335 1 1107 . 1 1 106 106 GLY C C 13 175.6 . . 1 . . . . . . . . 4335 1 1108 . 1 1 106 106 GLY CA C 13 46.5 . . 1 . . . . . . . . 4335 1 1109 . 1 1 106 106 GLY N N 15 108.2 . . 1 . . . . . . . . 4335 1 1110 . 1 1 107 107 ILE H H 1 7.78 . . 1 . . . . . . . . 4335 1 1111 . 1 1 107 107 ILE HA H 1 3.29 . . 1 . . . . . . . . 4335 1 1112 . 1 1 107 107 ILE HB H 1 1.48 . . 1 . . . . . . . . 4335 1 1113 . 1 1 107 107 ILE HG12 H 1 1.91 . . 2 . . . . . . . . 4335 1 1114 . 1 1 107 107 ILE HG13 H 1 0.65 . . 2 . . . . . . . . 4335 1 1115 . 1 1 107 107 ILE HG21 H 1 -0.20 . . 1 . . . . . . . . 4335 1 1116 . 1 1 107 107 ILE HG22 H 1 -0.20 . . 1 . . . . . . . . 4335 1 1117 . 1 1 107 107 ILE HG23 H 1 -0.20 . . 1 . . . . . . . . 4335 1 1118 . 1 1 107 107 ILE HD11 H 1 0.93 . . 1 . . . . . . . . 4335 1 1119 . 1 1 107 107 ILE HD12 H 1 0.93 . . 1 . . . . . . . . 4335 1 1120 . 1 1 107 107 ILE HD13 H 1 0.93 . . 1 . . . . . . . . 4335 1 1121 . 1 1 107 107 ILE C C 13 178.2 . . 1 . . . . . . . . 4335 1 1122 . 1 1 107 107 ILE CA C 13 66.1 . . 1 . . . . . . . . 4335 1 1123 . 1 1 107 107 ILE CB C 13 37.8 . . 1 . . . . . . . . 4335 1 1124 . 1 1 107 107 ILE CG1 C 13 29.7 . . 1 . . . . . . . . 4335 1 1125 . 1 1 107 107 ILE CG2 C 13 16.8 . . 1 . . . . . . . . 4335 1 1126 . 1 1 107 107 ILE CD1 C 13 14.0 . . 1 . . . . . . . . 4335 1 1127 . 1 1 107 107 ILE N N 15 125.1 . . 1 . . . . . . . . 4335 1 1128 . 1 1 108 108 VAL H H 1 8.43 . . 1 . . . . . . . . 4335 1 1129 . 1 1 108 108 VAL HA H 1 3.17 . . 1 . . . . . . . . 4335 1 1130 . 1 1 108 108 VAL HB H 1 2.15 . . 1 . . . . . . . . 4335 1 1131 . 1 1 108 108 VAL HG11 H 1 0.97 . . 2 . . . . . . . . 4335 1 1132 . 1 1 108 108 VAL HG12 H 1 0.97 . . 2 . . . . . . . . 4335 1 1133 . 1 1 108 108 VAL HG13 H 1 0.97 . . 2 . . . . . . . . 4335 1 1134 . 1 1 108 108 VAL HG21 H 1 0.71 . . 2 . . . . . . . . 4335 1 1135 . 1 1 108 108 VAL HG22 H 1 0.71 . . 2 . . . . . . . . 4335 1 1136 . 1 1 108 108 VAL HG23 H 1 0.71 . . 2 . . . . . . . . 4335 1 1137 . 1 1 108 108 VAL C C 13 177.9 . . 1 . . . . . . . . 4335 1 1138 . 1 1 108 108 VAL CA C 13 67.2 . . 1 . . . . . . . . 4335 1 1139 . 1 1 108 108 VAL CB C 13 31.3 . . 1 . . . . . . . . 4335 1 1140 . 1 1 108 108 VAL CG1 C 13 24.4 . . 2 . . . . . . . . 4335 1 1141 . 1 1 108 108 VAL CG2 C 13 20.1 . . 2 . . . . . . . . 4335 1 1142 . 1 1 108 108 VAL N N 15 122.8 . . 1 . . . . . . . . 4335 1 1143 . 1 1 109 109 GLY H H 1 7.90 . . 1 . . . . . . . . 4335 1 1144 . 1 1 109 109 GLY HA2 H 1 3.86 . . 2 . . . . . . . . 4335 1 1145 . 1 1 109 109 GLY HA3 H 1 3.79 . . 2 . . . . . . . . 4335 1 1146 . 1 1 109 109 GLY C C 13 175.4 . . 1 . . . . . . . . 4335 1 1147 . 1 1 109 109 GLY CA C 13 46.8 . . 1 . . . . . . . . 4335 1 1148 . 1 1 109 109 GLY N N 15 103.6 . . 1 . . . . . . . . 4335 1 1149 . 1 1 110 110 MET H H 1 7.28 . . 1 . . . . . . . . 4335 1 1150 . 1 1 110 110 MET HA H 1 4.11 . . 1 . . . . . . . . 4335 1 1151 . 1 1 110 110 MET HB2 H 1 1.80 . . 2 . . . . . . . . 4335 1 1152 . 1 1 110 110 MET HB3 H 1 1.37 . . 2 . . . . . . . . 4335 1 1153 . 1 1 110 110 MET HG2 H 1 2.42 . . 2 . . . . . . . . 4335 1 1154 . 1 1 110 110 MET HG3 H 1 2.32 . . 2 . . . . . . . . 4335 1 1155 . 1 1 110 110 MET C C 13 176.2 . . 1 . . . . . . . . 4335 1 1156 . 1 1 110 110 MET CA C 13 56.9 . . 1 . . . . . . . . 4335 1 1157 . 1 1 110 110 MET CB C 13 33.7 . . 1 . . . . . . . . 4335 1 1158 . 1 1 110 110 MET CG C 13 33.0 . . 1 . . . . . . . . 4335 1 1159 . 1 1 110 110 MET N N 15 117.4 . . 1 . . . . . . . . 4335 1 1160 . 1 1 111 111 CYS H H 1 7.31 . . 1 . . . . . . . . 4335 1 1161 . 1 1 111 111 CYS HA H 1 4.36 . . 1 . . . . . . . . 4335 1 1162 . 1 1 111 111 CYS HB2 H 1 2.65 . . 2 . . . . . . . . 4335 1 1163 . 1 1 111 111 CYS HB3 H 1 2.57 . . 2 . . . . . . . . 4335 1 1164 . 1 1 111 111 CYS C C 13 174.1 . . 1 . . . . . . . . 4335 1 1165 . 1 1 111 111 CYS CA C 13 58.4 . . 1 . . . . . . . . 4335 1 1166 . 1 1 111 111 CYS CB C 13 29.3 . . 1 . . . . . . . . 4335 1 1167 . 1 1 111 111 CYS N N 15 114.4 . . 1 . . . . . . . . 4335 1 1168 . 1 1 112 112 ASP H H 1 7.88 . . 1 . . . . . . . . 4335 1 1169 . 1 1 112 112 ASP HA H 1 4.43 . . 1 . . . . . . . . 4335 1 1170 . 1 1 112 112 ASP HB2 H 1 2.71 . . 2 . . . . . . . . 4335 1 1171 . 1 1 112 112 ASP HB3 H 1 2.64 . . 2 . . . . . . . . 4335 1 1172 . 1 1 112 112 ASP C C 13 176.9 . . 1 . . . . . . . . 4335 1 1173 . 1 1 112 112 ASP CA C 13 54.4 . . 1 . . . . . . . . 4335 1 1174 . 1 1 112 112 ASP CB C 13 40.2 . . 1 . . . . . . . . 4335 1 1175 . 1 1 112 112 ASP N N 15 121.8 . . 1 . . . . . . . . 4335 1 1176 . 1 1 113 113 LYS H H 1 8.74 . . 1 . . . . . . . . 4335 1 1177 . 1 1 113 113 LYS HA H 1 4.30 . . 1 . . . . . . . . 4335 1 1178 . 1 1 113 113 LYS HB2 H 1 1.94 . . 1 . . . . . . . . 4335 1 1179 . 1 1 113 113 LYS HB3 H 1 1.94 . . 1 . . . . . . . . 4335 1 1180 . 1 1 113 113 LYS HG2 H 1 1.53 . . 1 . . . . . . . . 4335 1 1181 . 1 1 113 113 LYS HG3 H 1 1.53 . . 1 . . . . . . . . 4335 1 1182 . 1 1 113 113 LYS HD2 H 1 1.70 . . 1 . . . . . . . . 4335 1 1183 . 1 1 113 113 LYS HD3 H 1 1.70 . . 1 . . . . . . . . 4335 1 1184 . 1 1 113 113 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 4335 1 1185 . 1 1 113 113 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 4335 1 1186 . 1 1 113 113 LYS C C 13 177.3 . . 1 . . . . . . . . 4335 1 1187 . 1 1 113 113 LYS CA C 13 57.5 . . 1 . . . . . . . . 4335 1 1188 . 1 1 113 113 LYS CB C 13 33.6 . . 1 . . . . . . . . 4335 1 1189 . 1 1 113 113 LYS CG C 13 24.9 . . 1 . . . . . . . . 4335 1 1190 . 1 1 113 113 LYS CD C 13 28.9 . . 1 . . . . . . . . 4335 1 1191 . 1 1 113 113 LYS CE C 13 42.7 . . 1 . . . . . . . . 4335 1 1192 . 1 1 113 113 LYS N N 15 129.4 . . 1 . . . . . . . . 4335 1 1193 . 1 1 114 114 ASN H H 1 7.94 . . 1 . . . . . . . . 4335 1 1194 . 1 1 114 114 ASN HA H 1 4.79 . . 1 . . . . . . . . 4335 1 1195 . 1 1 114 114 ASN HB2 H 1 3.27 . . 2 . . . . . . . . 4335 1 1196 . 1 1 114 114 ASN HB3 H 1 2.70 . . 2 . . . . . . . . 4335 1 1197 . 1 1 114 114 ASN HD21 H 1 7.77 . . 2 . . . . . . . . 4335 1 1198 . 1 1 114 114 ASN HD22 H 1 6.75 . . 2 . . . . . . . . 4335 1 1199 . 1 1 114 114 ASN C C 13 174.3 . . 1 . . . . . . . . 4335 1 1200 . 1 1 114 114 ASN CA C 13 52.0 . . 1 . . . . . . . . 4335 1 1201 . 1 1 114 114 ASN CB C 13 36.6 . . 1 . . . . . . . . 4335 1 1202 . 1 1 114 114 ASN N N 15 115.9 . . 1 . . . . . . . . 4335 1 1203 . 1 1 114 114 ASN ND2 N 15 113.6 . . 1 . . . . . . . . 4335 1 1204 . 1 1 115 115 ALA H H 1 7.69 . . 1 . . . . . . . . 4335 1 1205 . 1 1 115 115 ALA HA H 1 3.97 . . 1 . . . . . . . . 4335 1 1206 . 1 1 115 115 ALA HB1 H 1 1.30 . . 1 . . . . . . . . 4335 1 1207 . 1 1 115 115 ALA HB2 H 1 1.30 . . 1 . . . . . . . . 4335 1 1208 . 1 1 115 115 ALA HB3 H 1 1.30 . . 1 . . . . . . . . 4335 1 1209 . 1 1 115 115 ALA C C 13 175.9 . . 1 . . . . . . . . 4335 1 1210 . 1 1 115 115 ALA CA C 13 53.7 . . 1 . . . . . . . . 4335 1 1211 . 1 1 115 115 ALA CB C 13 16.9 . . 1 . . . . . . . . 4335 1 1212 . 1 1 115 115 ALA N N 15 120.3 . . 1 . . . . . . . . 4335 1 1213 . 1 1 116 116 ASP H H 1 8.27 . . 1 . . . . . . . . 4335 1 1214 . 1 1 116 116 ASP HA H 1 4.71 . . 1 . . . . . . . . 4335 1 1215 . 1 1 116 116 ASP HB2 H 1 2.97 . . 2 . . . . . . . . 4335 1 1216 . 1 1 116 116 ASP HB3 H 1 2.42 . . 2 . . . . . . . . 4335 1 1217 . 1 1 116 116 ASP C C 13 178.5 . . 1 . . . . . . . . 4335 1 1218 . 1 1 116 116 ASP CA C 13 53.0 . . 1 . . . . . . . . 4335 1 1219 . 1 1 116 116 ASP CB C 13 41.1 . . 1 . . . . . . . . 4335 1 1220 . 1 1 116 116 ASP N N 15 118.2 . . 1 . . . . . . . . 4335 1 1221 . 1 1 117 117 GLY H H 1 10.27 . . 1 . . . . . . . . 4335 1 1222 . 1 1 117 117 GLY HA2 H 1 3.99 . . 1 . . . . . . . . 4335 1 1223 . 1 1 117 117 GLY HA3 H 1 3.39 . . 1 . . . . . . . . 4335 1 1224 . 1 1 117 117 GLY C C 13 172.7 . . 1 . . . . . . . . 4335 1 1225 . 1 1 117 117 GLY CA C 13 46.1 . . 1 . . . . . . . . 4335 1 1226 . 1 1 117 117 GLY N N 15 114.3 . . 1 . . . . . . . . 4335 1 1227 . 1 1 118 118 GLN H H 1 7.92 . . 1 . . . . . . . . 4335 1 1228 . 1 1 118 118 GLN HA H 1 4.84 . . 1 . . . . . . . . 4335 1 1229 . 1 1 118 118 GLN HB2 H 1 1.91 . . 2 . . . . . . . . 4335 1 1230 . 1 1 118 118 GLN HB3 H 1 1.70 . . 2 . . . . . . . . 4335 1 1231 . 1 1 118 118 GLN HG2 H 1 2.25 . . 2 . . . . . . . . 4335 1 1232 . 1 1 118 118 GLN HG3 H 1 1.91 . . 2 . . . . . . . . 4335 1 1233 . 1 1 118 118 GLN HE21 H 1 6.84 . . 2 . . . . . . . . 4335 1 1234 . 1 1 118 118 GLN HE22 H 1 6.53 . . 2 . . . . . . . . 4335 1 1235 . 1 1 118 118 GLN C C 13 174.9 . . 1 . . . . . . . . 4335 1 1236 . 1 1 118 118 GLN CA C 13 52.8 . . 1 . . . . . . . . 4335 1 1237 . 1 1 118 118 GLN CB C 13 31.6 . . 1 . . . . . . . . 4335 1 1238 . 1 1 118 118 GLN CG C 13 32.9 . . 1 . . . . . . . . 4335 1 1239 . 1 1 118 118 GLN N N 15 117.3 . . 1 . . . . . . . . 4335 1 1240 . 1 1 118 118 GLN NE2 N 15 110.0 . . 1 . . . . . . . . 4335 1 1241 . 1 1 119 119 ILE H H 1 8.93 . . 1 . . . . . . . . 4335 1 1242 . 1 1 119 119 ILE HA H 1 5.50 . . 1 . . . . . . . . 4335 1 1243 . 1 1 119 119 ILE HB H 1 2.34 . . 1 . . . . . . . . 4335 1 1244 . 1 1 119 119 ILE HG12 H 1 1.59 . . 1 . . . . . . . . 4335 1 1245 . 1 1 119 119 ILE HG13 H 1 1.59 . . 1 . . . . . . . . 4335 1 1246 . 1 1 119 119 ILE HG21 H 1 1.43 . . 1 . . . . . . . . 4335 1 1247 . 1 1 119 119 ILE HG22 H 1 1.43 . . 1 . . . . . . . . 4335 1 1248 . 1 1 119 119 ILE HG23 H 1 1.43 . . 1 . . . . . . . . 4335 1 1249 . 1 1 119 119 ILE HD11 H 1 0.93 . . 1 . . . . . . . . 4335 1 1250 . 1 1 119 119 ILE HD12 H 1 0.93 . . 1 . . . . . . . . 4335 1 1251 . 1 1 119 119 ILE HD13 H 1 0.93 . . 1 . . . . . . . . 4335 1 1252 . 1 1 119 119 ILE C C 13 175.1 . . 1 . . . . . . . . 4335 1 1253 . 1 1 119 119 ILE CA C 13 56.8 . . 1 . . . . . . . . 4335 1 1254 . 1 1 119 119 ILE CB C 13 38.6 . . 1 . . . . . . . . 4335 1 1255 . 1 1 119 119 ILE CG1 C 13 27.2 . . 1 . . . . . . . . 4335 1 1256 . 1 1 119 119 ILE CG2 C 13 18.5 . . 1 . . . . . . . . 4335 1 1257 . 1 1 119 119 ILE CD1 C 13 10.5 . . 1 . . . . . . . . 4335 1 1258 . 1 1 119 119 ILE N N 15 127.0 . . 1 . . . . . . . . 4335 1 1259 . 1 1 120 120 ASN H H 1 9.27 . . 1 . . . . . . . . 4335 1 1260 . 1 1 120 120 ASN HA H 1 5.09 . . 1 . . . . . . . . 4335 1 1261 . 1 1 120 120 ASN HB2 H 1 3.46 . . 2 . . . . . . . . 4335 1 1262 . 1 1 120 120 ASN HB3 H 1 3.32 . . 2 . . . . . . . . 4335 1 1263 . 1 1 120 120 ASN HD21 H 1 7.70 . . 2 . . . . . . . . 4335 1 1264 . 1 1 120 120 ASN HD22 H 1 6.86 . . 2 . . . . . . . . 4335 1 1265 . 1 1 120 120 ASN C C 13 176.0 . . 1 . . . . . . . . 4335 1 1266 . 1 1 120 120 ASN CA C 13 51.8 . . 1 . . . . . . . . 4335 1 1267 . 1 1 120 120 ASN CB C 13 38.4 . . 1 . . . . . . . . 4335 1 1268 . 1 1 120 120 ASN N N 15 128.9 . . 1 . . . . . . . . 4335 1 1269 . 1 1 120 120 ASN ND2 N 15 112.5 . . 1 . . . . . . . . 4335 1 1270 . 1 1 121 121 ALA H H 1 8.42 . . 1 . . . . . . . . 4335 1 1271 . 1 1 121 121 ALA HA H 1 3.35 . . 1 . . . . . . . . 4335 1 1272 . 1 1 121 121 ALA HB1 H 1 0.69 . . 1 . . . . . . . . 4335 1 1273 . 1 1 121 121 ALA HB2 H 1 0.69 . . 1 . . . . . . . . 4335 1 1274 . 1 1 121 121 ALA HB3 H 1 0.69 . . 1 . . . . . . . . 4335 1 1275 . 1 1 121 121 ALA C C 13 180.6 . . 1 . . . . . . . . 4335 1 1276 . 1 1 121 121 ALA CA C 13 56.5 . . 1 . . . . . . . . 4335 1 1277 . 1 1 121 121 ALA CB C 13 17.5 . . 1 . . . . . . . . 4335 1 1278 . 1 1 121 121 ALA N N 15 121.2 . . 1 . . . . . . . . 4335 1 1279 . 1 1 122 122 ASP H H 1 7.85 . . 1 . . . . . . . . 4335 1 1280 . 1 1 122 122 ASP HA H 1 4.45 . . 1 . . . . . . . . 4335 1 1281 . 1 1 122 122 ASP HB2 H 1 2.69 . . 1 . . . . . . . . 4335 1 1282 . 1 1 122 122 ASP HB3 H 1 2.69 . . 1 . . . . . . . . 4335 1 1283 . 1 1 122 122 ASP C C 13 179.8 . . 1 . . . . . . . . 4335 1 1284 . 1 1 122 122 ASP CA C 13 57.5 . . 1 . . . . . . . . 4335 1 1285 . 1 1 122 122 ASP CB C 13 41.1 . . 1 . . . . . . . . 4335 1 1286 . 1 1 122 122 ASP N N 15 120.7 . . 1 . . . . . . . . 4335 1 1287 . 1 1 123 123 GLU H H 1 8.77 . . 1 . . . . . . . . 4335 1 1288 . 1 1 123 123 GLU HA H 1 4.23 . . 1 . . . . . . . . 4335 1 1289 . 1 1 123 123 GLU HB2 H 1 2.60 . . 2 . . . . . . . . 4335 1 1290 . 1 1 123 123 GLU HB3 H 1 2.25 . . 2 . . . . . . . . 4335 1 1291 . 1 1 123 123 GLU HG2 H 1 2.87 . . 2 . . . . . . . . 4335 1 1292 . 1 1 123 123 GLU HG3 H 1 2.60 . . 2 . . . . . . . . 4335 1 1293 . 1 1 123 123 GLU C C 13 179.0 . . 1 . . . . . . . . 4335 1 1294 . 1 1 123 123 GLU CA C 13 58.6 . . 1 . . . . . . . . 4335 1 1295 . 1 1 123 123 GLU CB C 13 29.9 . . 1 . . . . . . . . 4335 1 1296 . 1 1 123 123 GLU CG C 13 36.7 . . 1 . . . . . . . . 4335 1 1297 . 1 1 123 123 GLU N N 15 124.1 . . 1 . . . . . . . . 4335 1 1298 . 1 1 124 124 PHE H H 1 9.31 . . 1 . . . . . . . . 4335 1 1299 . 1 1 124 124 PHE HA H 1 4.53 . . 1 . . . . . . . . 4335 1 1300 . 1 1 124 124 PHE HB2 H 1 3.41 . . 2 . . . . . . . . 4335 1 1301 . 1 1 124 124 PHE HB3 H 1 3.16 . . 2 . . . . . . . . 4335 1 1302 . 1 1 124 124 PHE C C 13 177.4 . . 1 . . . . . . . . 4335 1 1303 . 1 1 124 124 PHE CA C 13 60.7 . . 1 . . . . . . . . 4335 1 1304 . 1 1 124 124 PHE CB C 13 40.0 . . 1 . . . . . . . . 4335 1 1305 . 1 1 124 124 PHE N N 15 122.1 . . 1 . . . . . . . . 4335 1 1306 . 1 1 125 125 ALA H H 1 8.16 . . 1 . . . . . . . . 4335 1 1307 . 1 1 125 125 ALA HA H 1 3.84 . . 1 . . . . . . . . 4335 1 1308 . 1 1 125 125 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 4335 1 1309 . 1 1 125 125 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 4335 1 1310 . 1 1 125 125 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 4335 1 1311 . 1 1 125 125 ALA C C 13 180.4 . . 1 . . . . . . . . 4335 1 1312 . 1 1 125 125 ALA CA C 13 55.5 . . 1 . . . . . . . . 4335 1 1313 . 1 1 125 125 ALA CB C 13 17.5 . . 1 . . . . . . . . 4335 1 1314 . 1 1 125 125 ALA N N 15 120.5 . . 1 . . . . . . . . 4335 1 1315 . 1 1 126 126 ALA H H 1 7.86 . . 1 . . . . . . . . 4335 1 1316 . 1 1 126 126 ALA HA H 1 4.03 . . 1 . . . . . . . . 4335 1 1317 . 1 1 126 126 ALA HB1 H 1 1.65 . . 1 . . . . . . . . 4335 1 1318 . 1 1 126 126 ALA HB2 H 1 1.65 . . 1 . . . . . . . . 4335 1 1319 . 1 1 126 126 ALA HB3 H 1 1.65 . . 1 . . . . . . . . 4335 1 1320 . 1 1 126 126 ALA C C 13 179.3 . . 1 . . . . . . . . 4335 1 1321 . 1 1 126 126 ALA CA C 13 55.6 . . 1 . . . . . . . . 4335 1 1322 . 1 1 126 126 ALA CB C 13 17.9 . . 1 . . . . . . . . 4335 1 1323 . 1 1 126 126 ALA N N 15 123.6 . . 1 . . . . . . . . 4335 1 1324 . 1 1 127 127 TRP H H 1 7.82 . . 1 . . . . . . . . 4335 1 1325 . 1 1 127 127 TRP HA H 1 4.48 . . 1 . . . . . . . . 4335 1 1326 . 1 1 127 127 TRP HB2 H 1 3.73 . . 2 . . . . . . . . 4335 1 1327 . 1 1 127 127 TRP HB3 H 1 3.62 . . 2 . . . . . . . . 4335 1 1328 . 1 1 127 127 TRP C C 13 177.9 . . 1 . . . . . . . . 4335 1 1329 . 1 1 127 127 TRP CA C 13 58.1 . . 1 . . . . . . . . 4335 1 1330 . 1 1 127 127 TRP CB C 13 29.7 . . 1 . . . . . . . . 4335 1 1331 . 1 1 127 127 TRP N N 15 122.4 . . 1 . . . . . . . . 4335 1 1332 . 1 1 128 128 LEU H H 1 8.22 . . 1 . . . . . . . . 4335 1 1333 . 1 1 128 128 LEU HA H 1 3.73 . . 1 . . . . . . . . 4335 1 1334 . 1 1 128 128 LEU HB2 H 1 1.27 . . 2 . . . . . . . . 4335 1 1335 . 1 1 128 128 LEU HB3 H 1 1.21 . . 2 . . . . . . . . 4335 1 1336 . 1 1 128 128 LEU HG H 1 0.90 . . 1 . . . . . . . . 4335 1 1337 . 1 1 128 128 LEU HD11 H 1 -0.06 . . 2 . . . . . . . . 4335 1 1338 . 1 1 128 128 LEU HD12 H 1 -0.06 . . 2 . . . . . . . . 4335 1 1339 . 1 1 128 128 LEU HD13 H 1 -0.06 . . 2 . . . . . . . . 4335 1 1340 . 1 1 128 128 LEU HD21 H 1 0.10 . . 2 . . . . . . . . 4335 1 1341 . 1 1 128 128 LEU HD22 H 1 0.10 . . 2 . . . . . . . . 4335 1 1342 . 1 1 128 128 LEU HD23 H 1 0.10 . . 2 . . . . . . . . 4335 1 1343 . 1 1 128 128 LEU C C 13 180.7 . . 1 . . . . . . . . 4335 1 1344 . 1 1 128 128 LEU CA C 13 58.6 . . 1 . . . . . . . . 4335 1 1345 . 1 1 128 128 LEU CB C 13 40.3 . . 1 . . . . . . . . 4335 1 1346 . 1 1 128 128 LEU CG C 13 28.3 . . 1 . . . . . . . . 4335 1 1347 . 1 1 128 128 LEU CD1 C 13 24.2 . . 2 . . . . . . . . 4335 1 1348 . 1 1 128 128 LEU CD2 C 13 23.0 . . 2 . . . . . . . . 4335 1 1349 . 1 1 128 128 LEU N N 15 117.9 . . 1 . . . . . . . . 4335 1 1350 . 1 1 129 129 THR H H 1 8.44 . . 1 . . . . . . . . 4335 1 1351 . 1 1 129 129 THR HA H 1 4.53 . . 1 . . . . . . . . 4335 1 1352 . 1 1 129 129 THR HB H 1 4.19 . . 1 . . . . . . . . 4335 1 1353 . 1 1 129 129 THR HG21 H 1 1.23 . . 1 . . . . . . . . 4335 1 1354 . 1 1 129 129 THR HG22 H 1 1.23 . . 1 . . . . . . . . 4335 1 1355 . 1 1 129 129 THR HG23 H 1 1.23 . . 1 . . . . . . . . 4335 1 1356 . 1 1 129 129 THR C C 13 179.2 . . 1 . . . . . . . . 4335 1 1357 . 1 1 129 129 THR CA C 13 65.2 . . 1 . . . . . . . . 4335 1 1358 . 1 1 129 129 THR CB C 13 69.2 . . 1 . . . . . . . . 4335 1 1359 . 1 1 129 129 THR CG2 C 13 20.9 . . 1 . . . . . . . . 4335 1 1360 . 1 1 129 129 THR N N 15 113.3 . . 1 . . . . . . . . 4335 1 1361 . 1 1 130 130 ALA H H 1 7.68 . . 1 . . . . . . . . 4335 1 1362 . 1 1 130 130 ALA HA H 1 4.04 . . 1 . . . . . . . . 4335 1 1363 . 1 1 130 130 ALA HB1 H 1 1.14 . . 1 . . . . . . . . 4335 1 1364 . 1 1 130 130 ALA HB2 H 1 1.14 . . 1 . . . . . . . . 4335 1 1365 . 1 1 130 130 ALA HB3 H 1 1.14 . . 1 . . . . . . . . 4335 1 1366 . 1 1 130 130 ALA C C 13 178.8 . . 1 . . . . . . . . 4335 1 1367 . 1 1 130 130 ALA CA C 13 55.0 . . 1 . . . . . . . . 4335 1 1368 . 1 1 130 130 ALA CB C 13 17.7 . . 1 . . . . . . . . 4335 1 1369 . 1 1 130 130 ALA N N 15 127.9 . . 1 . . . . . . . . 4335 1 1370 . 1 1 131 131 LEU H H 1 7.06 . . 1 . . . . . . . . 4335 1 1371 . 1 1 131 131 LEU HA H 1 4.33 . . 1 . . . . . . . . 4335 1 1372 . 1 1 131 131 LEU HB2 H 1 1.80 . . 1 . . . . . . . . 4335 1 1373 . 1 1 131 131 LEU HB3 H 1 1.80 . . 1 . . . . . . . . 4335 1 1374 . 1 1 131 131 LEU HG H 1 2.01 . . 1 . . . . . . . . 4335 1 1375 . 1 1 131 131 LEU HD11 H 1 0.92 . . 2 . . . . . . . . 4335 1 1376 . 1 1 131 131 LEU HD12 H 1 0.92 . . 2 . . . . . . . . 4335 1 1377 . 1 1 131 131 LEU HD13 H 1 0.92 . . 2 . . . . . . . . 4335 1 1378 . 1 1 131 131 LEU HD21 H 1 0.69 . . 2 . . . . . . . . 4335 1 1379 . 1 1 131 131 LEU HD22 H 1 0.69 . . 2 . . . . . . . . 4335 1 1380 . 1 1 131 131 LEU HD23 H 1 0.69 . . 2 . . . . . . . . 4335 1 1381 . 1 1 131 131 LEU C C 13 177.3 . . 1 . . . . . . . . 4335 1 1382 . 1 1 131 131 LEU CA C 13 54.4 . . 1 . . . . . . . . 4335 1 1383 . 1 1 131 131 LEU CB C 13 41.5 . . 1 . . . . . . . . 4335 1 1384 . 1 1 131 131 LEU CG C 13 26.4 . . 1 . . . . . . . . 4335 1 1385 . 1 1 131 131 LEU CD1 C 13 26.1 . . 2 . . . . . . . . 4335 1 1386 . 1 1 131 131 LEU CD2 C 13 21.9 . . 2 . . . . . . . . 4335 1 1387 . 1 1 131 131 LEU N N 15 114.8 . . 1 . . . . . . . . 4335 1 1388 . 1 1 132 132 GLY H H 1 7.59 . . 1 . . . . . . . . 4335 1 1389 . 1 1 132 132 GLY HA2 H 1 4.30 . . 2 . . . . . . . . 4335 1 1390 . 1 1 132 132 GLY HA3 H 1 3.74 . . 2 . . . . . . . . 4335 1 1391 . 1 1 132 132 GLY C C 13 174.9 . . 1 . . . . . . . . 4335 1 1392 . 1 1 132 132 GLY CA C 13 45.8 . . 1 . . . . . . . . 4335 1 1393 . 1 1 132 132 GLY N N 15 107.2 . . 1 . . . . . . . . 4335 1 1394 . 1 1 133 133 MET H H 1 7.93 . . 1 . . . . . . . . 4335 1 1395 . 1 1 133 133 MET HA H 1 4.51 . . 1 . . . . . . . . 4335 1 1396 . 1 1 133 133 MET HB2 H 1 1.98 . . 2 . . . . . . . . 4335 1 1397 . 1 1 133 133 MET HB3 H 1 1.60 . . 2 . . . . . . . . 4335 1 1398 . 1 1 133 133 MET HG2 H 1 2.57 . . 2 . . . . . . . . 4335 1 1399 . 1 1 133 133 MET HG3 H 1 2.34 . . 2 . . . . . . . . 4335 1 1400 . 1 1 133 133 MET C C 13 175.1 . . 1 . . . . . . . . 4335 1 1401 . 1 1 133 133 MET CA C 13 55.3 . . 1 . . . . . . . . 4335 1 1402 . 1 1 133 133 MET CB C 13 34.4 . . 1 . . . . . . . . 4335 1 1403 . 1 1 133 133 MET CG C 13 33.3 . . 1 . . . . . . . . 4335 1 1404 . 1 1 133 133 MET N N 15 121.4 . . 1 . . . . . . . . 4335 1 1405 . 1 1 134 134 SER H H 1 8.62 . . 1 . . . . . . . . 4335 1 1406 . 1 1 134 134 SER HA H 1 4.59 . . 1 . . . . . . . . 4335 1 1407 . 1 1 134 134 SER HB2 H 1 4.26 . . 2 . . . . . . . . 4335 1 1408 . 1 1 134 134 SER HB3 H 1 3.96 . . 2 . . . . . . . . 4335 1 1409 . 1 1 134 134 SER C C 13 175.4 . . 1 . . . . . . . . 4335 1 1410 . 1 1 134 134 SER CA C 13 57.4 . . 1 . . . . . . . . 4335 1 1411 . 1 1 134 134 SER CB C 13 65.8 . . 1 . . . . . . . . 4335 1 1412 . 1 1 134 134 SER N N 15 116.9 . . 1 . . . . . . . . 4335 1 1413 . 1 1 135 135 LYS H H 1 8.68 . . 1 . . . . . . . . 4335 1 1414 . 1 1 135 135 LYS HA H 1 3.85 . . 1 . . . . . . . . 4335 1 1415 . 1 1 135 135 LYS HB2 H 1 1.82 . . 1 . . . . . . . . 4335 1 1416 . 1 1 135 135 LYS HB3 H 1 1.82 . . 1 . . . . . . . . 4335 1 1417 . 1 1 135 135 LYS HG2 H 1 1.51 . . 2 . . . . . . . . 4335 1 1418 . 1 1 135 135 LYS HG3 H 1 1.38 . . 2 . . . . . . . . 4335 1 1419 . 1 1 135 135 LYS HD2 H 1 1.67 . . 1 . . . . . . . . 4335 1 1420 . 1 1 135 135 LYS HD3 H 1 1.67 . . 1 . . . . . . . . 4335 1 1421 . 1 1 135 135 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 4335 1 1422 . 1 1 135 135 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 4335 1 1423 . 1 1 135 135 LYS C C 13 178.9 . . 1 . . . . . . . . 4335 1 1424 . 1 1 135 135 LYS CA C 13 60.0 . . 1 . . . . . . . . 4335 1 1425 . 1 1 135 135 LYS CB C 13 32.2 . . 1 . . . . . . . . 4335 1 1426 . 1 1 135 135 LYS CG C 13 25.8 . . 1 . . . . . . . . 4335 1 1427 . 1 1 135 135 LYS CD C 13 29.3 . . 1 . . . . . . . . 4335 1 1428 . 1 1 135 135 LYS CE C 13 42.1 . . 1 . . . . . . . . 4335 1 1429 . 1 1 135 135 LYS N N 15 122.7 . . 1 . . . . . . . . 4335 1 1430 . 1 1 136 136 ALA H H 1 8.20 . . 1 . . . . . . . . 4335 1 1431 . 1 1 136 136 ALA HA H 1 4.17 . . 1 . . . . . . . . 4335 1 1432 . 1 1 136 136 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 4335 1 1433 . 1 1 136 136 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 4335 1 1434 . 1 1 136 136 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 4335 1 1435 . 1 1 136 136 ALA C C 13 180.4 . . 1 . . . . . . . . 4335 1 1436 . 1 1 136 136 ALA CA C 13 54.9 . . 1 . . . . . . . . 4335 1 1437 . 1 1 136 136 ALA CB C 13 18.3 . . 1 . . . . . . . . 4335 1 1438 . 1 1 136 136 ALA N N 15 122.9 . . 1 . . . . . . . . 4335 1 1439 . 1 1 137 137 GLU H H 1 7.77 . . 1 . . . . . . . . 4335 1 1440 . 1 1 137 137 GLU HA H 1 4.06 . . 1 . . . . . . . . 4335 1 1441 . 1 1 137 137 GLU HB2 H 1 2.19 . . 1 . . . . . . . . 4335 1 1442 . 1 1 137 137 GLU HB3 H 1 2.19 . . 1 . . . . . . . . 4335 1 1443 . 1 1 137 137 GLU HG2 H 1 2.24 . . 1 . . . . . . . . 4335 1 1444 . 1 1 137 137 GLU HG3 H 1 2.24 . . 1 . . . . . . . . 4335 1 1445 . 1 1 137 137 GLU C C 13 179.0 . . 1 . . . . . . . . 4335 1 1446 . 1 1 137 137 GLU CA C 13 58.6 . . 1 . . . . . . . . 4335 1 1447 . 1 1 137 137 GLU CB C 13 29.8 . . 1 . . . . . . . . 4335 1 1448 . 1 1 137 137 GLU CG C 13 37.2 . . 1 . . . . . . . . 4335 1 1449 . 1 1 137 137 GLU N N 15 119.7 . . 1 . . . . . . . . 4335 1 1450 . 1 1 138 138 ALA H H 1 8.07 . . 1 . . . . . . . . 4335 1 1451 . 1 1 138 138 ALA HA H 1 4.02 . . 1 . . . . . . . . 4335 1 1452 . 1 1 138 138 ALA HB1 H 1 1.40 . . 1 . . . . . . . . 4335 1 1453 . 1 1 138 138 ALA HB2 H 1 1.40 . . 1 . . . . . . . . 4335 1 1454 . 1 1 138 138 ALA HB3 H 1 1.40 . . 1 . . . . . . . . 4335 1 1455 . 1 1 138 138 ALA C C 13 178.6 . . 1 . . . . . . . . 4335 1 1456 . 1 1 138 138 ALA CA C 13 55.0 . . 1 . . . . . . . . 4335 1 1457 . 1 1 138 138 ALA CB C 13 18.2 . . 1 . . . . . . . . 4335 1 1458 . 1 1 138 138 ALA N N 15 123.1 . . 1 . . . . . . . . 4335 1 1459 . 1 1 139 139 ALA H H 1 8.02 . . 1 . . . . . . . . 4335 1 1460 . 1 1 139 139 ALA HA H 1 4.19 . . 1 . . . . . . . . 4335 1 1461 . 1 1 139 139 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 4335 1 1462 . 1 1 139 139 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 4335 1 1463 . 1 1 139 139 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 4335 1 1464 . 1 1 139 139 ALA C C 13 180.4 . . 1 . . . . . . . . 4335 1 1465 . 1 1 139 139 ALA CA C 13 55.1 . . 1 . . . . . . . . 4335 1 1466 . 1 1 139 139 ALA CB C 13 18.1 . . 1 . . . . . . . . 4335 1 1467 . 1 1 139 139 ALA N N 15 121.2 . . 1 . . . . . . . . 4335 1 1468 . 1 1 140 140 GLU H H 1 7.60 . . 1 . . . . . . . . 4335 1 1469 . 1 1 140 140 GLU HA H 1 4.16 . . 1 . . . . . . . . 4335 1 1470 . 1 1 140 140 GLU HB2 H 1 2.05 . . 1 . . . . . . . . 4335 1 1471 . 1 1 140 140 GLU HB3 H 1 2.05 . . 1 . . . . . . . . 4335 1 1472 . 1 1 140 140 GLU HG2 H 1 2.35 . . 2 . . . . . . . . 4335 1 1473 . 1 1 140 140 GLU HG3 H 1 2.28 . . 2 . . . . . . . . 4335 1 1474 . 1 1 140 140 GLU C C 13 179.1 . . 1 . . . . . . . . 4335 1 1475 . 1 1 140 140 GLU CA C 13 58.8 . . 1 . . . . . . . . 4335 1 1476 . 1 1 140 140 GLU CB C 13 29.8 . . 1 . . . . . . . . 4335 1 1477 . 1 1 140 140 GLU CG C 13 36.1 . . 1 . . . . . . . . 4335 1 1478 . 1 1 140 140 GLU N N 15 118.5 . . 1 . . . . . . . . 4335 1 1479 . 1 1 141 141 ALA H H 1 8.09 . . 1 . . . . . . . . 4335 1 1480 . 1 1 141 141 ALA HA H 1 4.19 . . 1 . . . . . . . . 4335 1 1481 . 1 1 141 141 ALA HB1 H 1 1.50 . . 1 . . . . . . . . 4335 1 1482 . 1 1 141 141 ALA HB2 H 1 1.50 . . 1 . . . . . . . . 4335 1 1483 . 1 1 141 141 ALA HB3 H 1 1.50 . . 1 . . . . . . . . 4335 1 1484 . 1 1 141 141 ALA C C 13 178.9 . . 1 . . . . . . . . 4335 1 1485 . 1 1 141 141 ALA CA C 13 54.7 . . 1 . . . . . . . . 4335 1 1486 . 1 1 141 141 ALA CB C 13 18.5 . . 1 . . . . . . . . 4335 1 1487 . 1 1 141 141 ALA N N 15 122.0 . . 1 . . . . . . . . 4335 1 1488 . 1 1 142 142 PHE H H 1 8.60 . . 1 . . . . . . . . 4335 1 1489 . 1 1 142 142 PHE HA H 1 3.30 . . 1 . . . . . . . . 4335 1 1490 . 1 1 142 142 PHE HB2 H 1 3.17 . . 2 . . . . . . . . 4335 1 1491 . 1 1 142 142 PHE HB3 H 1 3.13 . . 2 . . . . . . . . 4335 1 1492 . 1 1 142 142 PHE C C 13 176.7 . . 1 . . . . . . . . 4335 1 1493 . 1 1 142 142 PHE CA C 13 62.7 . . 1 . . . . . . . . 4335 1 1494 . 1 1 142 142 PHE CB C 13 39.3 . . 1 . . . . . . . . 4335 1 1495 . 1 1 142 142 PHE N N 15 120.3 . . 1 . . . . . . . . 4335 1 1496 . 1 1 143 143 ASN H H 1 7.45 . . 1 . . . . . . . . 4335 1 1497 . 1 1 143 143 ASN HA H 1 4.34 . . 1 . . . . . . . . 4335 1 1498 . 1 1 143 143 ASN HB2 H 1 2.87 . . 1 . . . . . . . . 4335 1 1499 . 1 1 143 143 ASN HB3 H 1 2.87 . . 1 . . . . . . . . 4335 1 1500 . 1 1 143 143 ASN HD21 H 1 7.62 . . 2 . . . . . . . . 4335 1 1501 . 1 1 143 143 ASN HD22 H 1 6.83 . . 2 . . . . . . . . 4335 1 1502 . 1 1 143 143 ASN C C 13 176.8 . . 1 . . . . . . . . 4335 1 1503 . 1 1 143 143 ASN CA C 13 55.8 . . 1 . . . . . . . . 4335 1 1504 . 1 1 143 143 ASN CB C 13 38.7 . . 1 . . . . . . . . 4335 1 1505 . 1 1 143 143 ASN N N 15 114.3 . . 1 . . . . . . . . 4335 1 1506 . 1 1 143 143 ASN ND2 N 15 113.3 . . 1 . . . . . . . . 4335 1 1507 . 1 1 144 144 GLN H H 1 7.40 . . 1 . . . . . . . . 4335 1 1508 . 1 1 144 144 GLN HA H 1 3.98 . . 1 . . . . . . . . 4335 1 1509 . 1 1 144 144 GLN HB2 H 1 2.19 . . 2 . . . . . . . . 4335 1 1510 . 1 1 144 144 GLN HB3 H 1 2.04 . . 2 . . . . . . . . 4335 1 1511 . 1 1 144 144 GLN HG2 H 1 2.45 . . 2 . . . . . . . . 4335 1 1512 . 1 1 144 144 GLN HG3 H 1 2.31 . . 2 . . . . . . . . 4335 1 1513 . 1 1 144 144 GLN HE21 H 1 7.30 . . 2 . . . . . . . . 4335 1 1514 . 1 1 144 144 GLN HE22 H 1 6.68 . . 2 . . . . . . . . 4335 1 1515 . 1 1 144 144 GLN C C 13 177.2 . . 1 . . . . . . . . 4335 1 1516 . 1 1 144 144 GLN CA C 13 58.0 . . 1 . . . . . . . . 4335 1 1517 . 1 1 144 144 GLN CB C 13 29.2 . . 1 . . . . . . . . 4335 1 1518 . 1 1 144 144 GLN CG C 13 34.2 . . 1 . . . . . . . . 4335 1 1519 . 1 1 144 144 GLN N N 15 117.4 . . 1 . . . . . . . . 4335 1 1520 . 1 1 144 144 GLN NE2 N 15 111.8 . . 1 . . . . . . . . 4335 1 1521 . 1 1 145 145 VAL H H 1 7.49 . . 1 . . . . . . . . 4335 1 1522 . 1 1 145 145 VAL HA H 1 3.72 . . 1 . . . . . . . . 4335 1 1523 . 1 1 145 145 VAL HB H 1 1.54 . . 1 . . . . . . . . 4335 1 1524 . 1 1 145 145 VAL HG11 H 1 0.70 . . 2 . . . . . . . . 4335 1 1525 . 1 1 145 145 VAL HG12 H 1 0.70 . . 2 . . . . . . . . 4335 1 1526 . 1 1 145 145 VAL HG13 H 1 0.70 . . 2 . . . . . . . . 4335 1 1527 . 1 1 145 145 VAL HG21 H 1 0.76 . . 2 . . . . . . . . 4335 1 1528 . 1 1 145 145 VAL HG22 H 1 0.76 . . 2 . . . . . . . . 4335 1 1529 . 1 1 145 145 VAL HG23 H 1 0.76 . . 2 . . . . . . . . 4335 1 1530 . 1 1 145 145 VAL C C 13 176.5 . . 1 . . . . . . . . 4335 1 1531 . 1 1 145 145 VAL CA C 13 63.5 . . 1 . . . . . . . . 4335 1 1532 . 1 1 145 145 VAL CB C 13 31.6 . . 1 . . . . . . . . 4335 1 1533 . 1 1 145 145 VAL CG1 C 13 23.7 . . 2 . . . . . . . . 4335 1 1534 . 1 1 145 145 VAL CG2 C 13 22.4 . . 2 . . . . . . . . 4335 1 1535 . 1 1 145 145 VAL N N 15 117.9 . . 1 . . . . . . . . 4335 1 1536 . 1 1 146 146 ASP H H 1 7.38 . . 1 . . . . . . . . 4335 1 1537 . 1 1 146 146 ASP HA H 1 4.34 . . 1 . . . . . . . . 4335 1 1538 . 1 1 146 146 ASP HB2 H 1 2.49 . . 2 . . . . . . . . 4335 1 1539 . 1 1 146 146 ASP HB3 H 1 1.65 . . 2 . . . . . . . . 4335 1 1540 . 1 1 146 146 ASP C C 13 177.5 . . 1 . . . . . . . . 4335 1 1541 . 1 1 146 146 ASP CA C 13 52.6 . . 1 . . . . . . . . 4335 1 1542 . 1 1 146 146 ASP CB C 13 38.6 . . 1 . . . . . . . . 4335 1 1543 . 1 1 146 146 ASP N N 15 120.1 . . 1 . . . . . . . . 4335 1 1544 . 1 1 147 147 THR H H 1 8.28 . . 1 . . . . . . . . 4335 1 1545 . 1 1 147 147 THR HA H 1 3.86 . . 1 . . . . . . . . 4335 1 1546 . 1 1 147 147 THR HB H 1 4.16 . . 1 . . . . . . . . 4335 1 1547 . 1 1 147 147 THR HG21 H 1 1.23 . . 1 . . . . . . . . 4335 1 1548 . 1 1 147 147 THR HG22 H 1 1.23 . . 1 . . . . . . . . 4335 1 1549 . 1 1 147 147 THR HG23 H 1 1.23 . . 1 . . . . . . . . 4335 1 1550 . 1 1 147 147 THR C C 13 176.2 . . 1 . . . . . . . . 4335 1 1551 . 1 1 147 147 THR CA C 13 65.5 . . 1 . . . . . . . . 4335 1 1552 . 1 1 147 147 THR CB C 13 68.9 . . 1 . . . . . . . . 4335 1 1553 . 1 1 147 147 THR CG2 C 13 22.6 . . 1 . . . . . . . . 4335 1 1554 . 1 1 147 147 THR N N 15 121.7 . . 1 . . . . . . . . 4335 1 1555 . 1 1 148 148 ASN H H 1 7.70 . . 1 . . . . . . . . 4335 1 1556 . 1 1 148 148 ASN HA H 1 4.81 . . 1 . . . . . . . . 4335 1 1557 . 1 1 148 148 ASN HB2 H 1 3.31 . . 2 . . . . . . . . 4335 1 1558 . 1 1 148 148 ASN HB3 H 1 2.86 . . 2 . . . . . . . . 4335 1 1559 . 1 1 148 148 ASN HD21 H 1 7.87 . . 2 . . . . . . . . 4335 1 1560 . 1 1 148 148 ASN HD22 H 1 6.35 . . 2 . . . . . . . . 4335 1 1561 . 1 1 148 148 ASN C C 13 176.7 . . 1 . . . . . . . . 4335 1 1562 . 1 1 148 148 ASN CA C 13 51.6 . . 1 . . . . . . . . 4335 1 1563 . 1 1 148 148 ASN CB C 13 37.1 . . 1 . . . . . . . . 4335 1 1564 . 1 1 148 148 ASN N N 15 115.6 . . 1 . . . . . . . . 4335 1 1565 . 1 1 148 148 ASN ND2 N 15 113.3 . . 1 . . . . . . . . 4335 1 1566 . 1 1 149 149 GLY H H 1 7.73 . . 1 . . . . . . . . 4335 1 1567 . 1 1 149 149 GLY HA2 H 1 3.78 . . 1 . . . . . . . . 4335 1 1568 . 1 1 149 149 GLY HA3 H 1 3.78 . . 1 . . . . . . . . 4335 1 1569 . 1 1 149 149 GLY C C 13 174.7 . . 1 . . . . . . . . 4335 1 1570 . 1 1 149 149 GLY CA C 13 47.6 . . 1 . . . . . . . . 4335 1 1571 . 1 1 149 149 GLY N N 15 109.4 . . 1 . . . . . . . . 4335 1 1572 . 1 1 150 150 ASN H H 1 7.88 . . 1 . . . . . . . . 4335 1 1573 . 1 1 150 150 ASN HA H 1 4.75 . . 1 . . . . . . . . 4335 1 1574 . 1 1 150 150 ASN HB2 H 1 3.32 . . 2 . . . . . . . . 4335 1 1575 . 1 1 150 150 ASN HB3 H 1 2.51 . . 2 . . . . . . . . 4335 1 1576 . 1 1 150 150 ASN HD21 H 1 7.96 . . 2 . . . . . . . . 4335 1 1577 . 1 1 150 150 ASN HD22 H 1 7.11 . . 2 . . . . . . . . 4335 1 1578 . 1 1 150 150 ASN C C 13 176.6 . . 1 . . . . . . . . 4335 1 1579 . 1 1 150 150 ASN CA C 13 52.2 . . 1 . . . . . . . . 4335 1 1580 . 1 1 150 150 ASN CB C 13 38.4 . . 1 . . . . . . . . 4335 1 1581 . 1 1 150 150 ASN N N 15 118.4 . . 1 . . . . . . . . 4335 1 1582 . 1 1 150 150 ASN ND2 N 15 115.6 . . 1 . . . . . . . . 4335 1 1583 . 1 1 151 151 GLY H H 1 10.64 . . 1 . . . . . . . . 4335 1 1584 . 1 1 151 151 GLY HA2 H 1 4.20 . . 2 . . . . . . . . 4335 1 1585 . 1 1 151 151 GLY HA3 H 1 3.66 . . 2 . . . . . . . . 4335 1 1586 . 1 1 151 151 GLY C C 13 172.9 . . 1 . . . . . . . . 4335 1 1587 . 1 1 151 151 GLY CA C 13 46.0 . . 1 . . . . . . . . 4335 1 1588 . 1 1 151 151 GLY N N 15 114.6 . . 1 . . . . . . . . 4335 1 1589 . 1 1 152 152 GLU H H 1 7.32 . . 1 . . . . . . . . 4335 1 1590 . 1 1 152 152 GLU HA H 1 4.89 . . 1 . . . . . . . . 4335 1 1591 . 1 1 152 152 GLU HB2 H 1 1.69 . . 2 . . . . . . . . 4335 1 1592 . 1 1 152 152 GLU HB3 H 1 1.27 . . 2 . . . . . . . . 4335 1 1593 . 1 1 152 152 GLU HG2 H 1 2.10 . . 2 . . . . . . . . 4335 1 1594 . 1 1 152 152 GLU HG3 H 1 1.97 . . 2 . . . . . . . . 4335 1 1595 . 1 1 152 152 GLU C C 13 175.1 . . 1 . . . . . . . . 4335 1 1596 . 1 1 152 152 GLU CA C 13 53.7 . . 1 . . . . . . . . 4335 1 1597 . 1 1 152 152 GLU CB C 13 33.8 . . 1 . . . . . . . . 4335 1 1598 . 1 1 152 152 GLU CG C 13 33.2 . . 1 . . . . . . . . 4335 1 1599 . 1 1 152 152 GLU N N 15 117.7 . . 1 . . . . . . . . 4335 1 1600 . 1 1 153 153 LEU H H 1 10.10 . . 1 . . . . . . . . 4335 1 1601 . 1 1 153 153 LEU HA H 1 5.34 . . 1 . . . . . . . . 4335 1 1602 . 1 1 153 153 LEU HB2 H 1 1.94 . . 2 . . . . . . . . 4335 1 1603 . 1 1 153 153 LEU HB3 H 1 0.83 . . 2 . . . . . . . . 4335 1 1604 . 1 1 153 153 LEU HG H 1 1.41 . . 1 . . . . . . . . 4335 1 1605 . 1 1 153 153 LEU HD11 H 1 -0.21 . . 2 . . . . . . . . 4335 1 1606 . 1 1 153 153 LEU HD12 H 1 -0.21 . . 2 . . . . . . . . 4335 1 1607 . 1 1 153 153 LEU HD13 H 1 -0.21 . . 2 . . . . . . . . 4335 1 1608 . 1 1 153 153 LEU HD21 H 1 -0.28 . . 2 . . . . . . . . 4335 1 1609 . 1 1 153 153 LEU HD22 H 1 -0.28 . . 2 . . . . . . . . 4335 1 1610 . 1 1 153 153 LEU HD23 H 1 -0.28 . . 2 . . . . . . . . 4335 1 1611 . 1 1 153 153 LEU C C 13 176.3 . . 1 . . . . . . . . 4335 1 1612 . 1 1 153 153 LEU CA C 13 52.8 . . 1 . . . . . . . . 4335 1 1613 . 1 1 153 153 LEU CB C 13 40.6 . . 1 . . . . . . . . 4335 1 1614 . 1 1 153 153 LEU CG C 13 25.4 . . 1 . . . . . . . . 4335 1 1615 . 1 1 153 153 LEU CD1 C 13 25.6 . . 2 . . . . . . . . 4335 1 1616 . 1 1 153 153 LEU CD2 C 13 21.7 . . 2 . . . . . . . . 4335 1 1617 . 1 1 153 153 LEU N N 15 126.9 . . 1 . . . . . . . . 4335 1 1618 . 1 1 154 154 SER H H 1 8.41 . . 1 . . . . . . . . 4335 1 1619 . 1 1 154 154 SER HA H 1 4.74 . . 1 . . . . . . . . 4335 1 1620 . 1 1 154 154 SER HB2 H 1 4.35 . . 2 . . . . . . . . 4335 1 1621 . 1 1 154 154 SER HB3 H 1 3.88 . . 2 . . . . . . . . 4335 1 1622 . 1 1 154 154 SER C C 13 175.9 . . 1 . . . . . . . . 4335 1 1623 . 1 1 154 154 SER CA C 13 55.7 . . 1 . . . . . . . . 4335 1 1624 . 1 1 154 154 SER CB C 13 65.8 . . 1 . . . . . . . . 4335 1 1625 . 1 1 154 154 SER N N 15 119.8 . . 1 . . . . . . . . 4335 1 1626 . 1 1 155 155 LEU H H 1 9.02 . . 1 . . . . . . . . 4335 1 1627 . 1 1 155 155 LEU HA H 1 4.02 . . 1 . . . . . . . . 4335 1 1628 . 1 1 155 155 LEU HB2 H 1 1.99 . . 2 . . . . . . . . 4335 1 1629 . 1 1 155 155 LEU HB3 H 1 1.69 . . 2 . . . . . . . . 4335 1 1630 . 1 1 155 155 LEU HD11 H 1 0.85 . . 2 . . . . . . . . 4335 1 1631 . 1 1 155 155 LEU HD12 H 1 0.85 . . 2 . . . . . . . . 4335 1 1632 . 1 1 155 155 LEU HD13 H 1 0.85 . . 2 . . . . . . . . 4335 1 1633 . 1 1 155 155 LEU HD21 H 1 0.79 . . 2 . . . . . . . . 4335 1 1634 . 1 1 155 155 LEU HD22 H 1 0.79 . . 2 . . . . . . . . 4335 1 1635 . 1 1 155 155 LEU HD23 H 1 0.79 . . 2 . . . . . . . . 4335 1 1636 . 1 1 155 155 LEU C C 13 178.2 . . 1 . . . . . . . . 4335 1 1637 . 1 1 155 155 LEU CA C 13 58.8 . . 1 . . . . . . . . 4335 1 1638 . 1 1 155 155 LEU CB C 13 41.6 . . 1 . . . . . . . . 4335 1 1639 . 1 1 155 155 LEU CG C 13 27.2 . . 1 . . . . . . . . 4335 1 1640 . 1 1 155 155 LEU CD1 C 13 25.2 . . 2 . . . . . . . . 4335 1 1641 . 1 1 155 155 LEU CD2 C 13 24.0 . . 2 . . . . . . . . 4335 1 1642 . 1 1 155 155 LEU N N 15 122.9 . . 1 . . . . . . . . 4335 1 1643 . 1 1 156 156 ASP H H 1 8.31 . . 1 . . . . . . . . 4335 1 1644 . 1 1 156 156 ASP HA H 1 4.30 . . 1 . . . . . . . . 4335 1 1645 . 1 1 156 156 ASP HB2 H 1 2.65 . . 2 . . . . . . . . 4335 1 1646 . 1 1 156 156 ASP HB3 H 1 2.51 . . 2 . . . . . . . . 4335 1 1647 . 1 1 156 156 ASP C C 13 179.2 . . 1 . . . . . . . . 4335 1 1648 . 1 1 156 156 ASP CA C 13 57.5 . . 1 . . . . . . . . 4335 1 1649 . 1 1 156 156 ASP CB C 13 40.3 . . 1 . . . . . . . . 4335 1 1650 . 1 1 156 156 ASP N N 15 115.7 . . 1 . . . . . . . . 4335 1 1651 . 1 1 157 157 GLU H H 1 7.54 . . 1 . . . . . . . . 4335 1 1652 . 1 1 157 157 GLU HA H 1 4.04 . . 1 . . . . . . . . 4335 1 1653 . 1 1 157 157 GLU HB2 H 1 2.36 . . 1 . . . . . . . . 4335 1 1654 . 1 1 157 157 GLU HB3 H 1 2.36 . . 1 . . . . . . . . 4335 1 1655 . 1 1 157 157 GLU C C 13 180.5 . . 1 . . . . . . . . 4335 1 1656 . 1 1 157 157 GLU CA C 13 58.9 . . 1 . . . . . . . . 4335 1 1657 . 1 1 157 157 GLU CB C 13 28.9 . . 1 . . . . . . . . 4335 1 1658 . 1 1 157 157 GLU CG C 13 36.4 . . 1 . . . . . . . . 4335 1 1659 . 1 1 157 157 GLU N N 15 122.4 . . 1 . . . . . . . . 4335 1 1660 . 1 1 158 158 LEU H H 1 8.31 . . 1 . . . . . . . . 4335 1 1661 . 1 1 158 158 LEU HA H 1 3.90 . . 1 . . . . . . . . 4335 1 1662 . 1 1 158 158 LEU HB2 H 1 2.05 . . 2 . . . . . . . . 4335 1 1663 . 1 1 158 158 LEU HB3 H 1 1.21 . . 2 . . . . . . . . 4335 1 1664 . 1 1 158 158 LEU HG H 1 1.57 . . 1 . . . . . . . . 4335 1 1665 . 1 1 158 158 LEU HD11 H 1 0.82 . . 2 . . . . . . . . 4335 1 1666 . 1 1 158 158 LEU HD12 H 1 0.82 . . 2 . . . . . . . . 4335 1 1667 . 1 1 158 158 LEU HD13 H 1 0.82 . . 2 . . . . . . . . 4335 1 1668 . 1 1 158 158 LEU HD21 H 1 0.69 . . 2 . . . . . . . . 4335 1 1669 . 1 1 158 158 LEU HD22 H 1 0.69 . . 2 . . . . . . . . 4335 1 1670 . 1 1 158 158 LEU HD23 H 1 0.69 . . 2 . . . . . . . . 4335 1 1671 . 1 1 158 158 LEU C C 13 178.4 . . 9 . . . . . . . . 4335 1 1672 . 1 1 158 158 LEU CA C 13 58.4 . . 1 . . . . . . . . 4335 1 1673 . 1 1 158 158 LEU CB C 13 42.8 . . 1 . . . . . . . . 4335 1 1674 . 1 1 158 158 LEU CG C 13 27.0 . . 1 . . . . . . . . 4335 1 1675 . 1 1 158 158 LEU CD1 C 13 26.4 . . 2 . . . . . . . . 4335 1 1676 . 1 1 158 158 LEU CD2 C 13 23.7 . . 2 . . . . . . . . 4335 1 1677 . 1 1 158 158 LEU N N 15 122.9 . . 1 . . . . . . . . 4335 1 1678 . 1 1 159 159 LEU H H 1 8.79 . . 1 . . . . . . . . 4335 1 1679 . 1 1 159 159 LEU HA H 1 4.05 . . 1 . . . . . . . . 4335 1 1680 . 1 1 159 159 LEU HB2 H 1 1.95 . . 1 . . . . . . . . 4335 1 1681 . 1 1 159 159 LEU HB3 H 1 1.95 . . 1 . . . . . . . . 4335 1 1682 . 1 1 159 159 LEU C C 13 179.7 . . 1 . . . . . . . . 4335 1 1683 . 1 1 159 159 LEU CA C 13 58.9 . . 1 . . . . . . . . 4335 1 1684 . 1 1 159 159 LEU CB C 13 41.5 . . 1 . . . . . . . . 4335 1 1685 . 1 1 159 159 LEU N N 15 121.2 . . 1 . . . . . . . . 4335 1 1686 . 1 1 160 160 THR H H 1 8.01 . . 1 . . . . . . . . 4335 1 1687 . 1 1 160 160 THR HA H 1 3.84 . . 1 . . . . . . . . 4335 1 1688 . 1 1 160 160 THR HB H 1 4.16 . . 1 . . . . . . . . 4335 1 1689 . 1 1 160 160 THR HG21 H 1 1.20 . . 1 . . . . . . . . 4335 1 1690 . 1 1 160 160 THR HG22 H 1 1.20 . . 1 . . . . . . . . 4335 1 1691 . 1 1 160 160 THR HG23 H 1 1.20 . . 1 . . . . . . . . 4335 1 1692 . 1 1 160 160 THR C C 13 175.4 . . 1 . . . . . . . . 4335 1 1693 . 1 1 160 160 THR CA C 13 67.0 . . 1 . . . . . . . . 4335 1 1694 . 1 1 160 160 THR CB C 13 68.8 . . 1 . . . . . . . . 4335 1 1695 . 1 1 160 160 THR CG2 C 13 22.2 . . 1 . . . . . . . . 4335 1 1696 . 1 1 160 160 THR N N 15 117.5 . . 1 . . . . . . . . 4335 1 1697 . 1 1 161 161 ALA H H 1 7.78 . . 1 . . . . . . . . 4335 1 1698 . 1 1 161 161 ALA HA H 1 4.18 . . 1 . . . . . . . . 4335 1 1699 . 1 1 161 161 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 4335 1 1700 . 1 1 161 161 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 4335 1 1701 . 1 1 161 161 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 4335 1 1702 . 1 1 161 161 ALA C C 13 179.9 . . 1 . . . . . . . . 4335 1 1703 . 1 1 161 161 ALA CA C 13 55.3 . . 1 . . . . . . . . 4335 1 1704 . 1 1 161 161 ALA CB C 13 19.0 . . 1 . . . . . . . . 4335 1 1705 . 1 1 161 161 ALA N N 15 124.6 . . 1 . . . . . . . . 4335 1 1706 . 1 1 162 162 VAL H H 1 8.23 . . 1 . . . . . . . . 4335 1 1707 . 1 1 162 162 VAL HA H 1 3.87 . . 1 . . . . . . . . 4335 1 1708 . 1 1 162 162 VAL HB H 1 2.50 . . 1 . . . . . . . . 4335 1 1709 . 1 1 162 162 VAL HG11 H 1 1.22 . . 1 . . . . . . . . 4335 1 1710 . 1 1 162 162 VAL HG12 H 1 1.22 . . 1 . . . . . . . . 4335 1 1711 . 1 1 162 162 VAL HG13 H 1 1.22 . . 1 . . . . . . . . 4335 1 1712 . 1 1 162 162 VAL HG21 H 1 1.22 . . 1 . . . . . . . . 4335 1 1713 . 1 1 162 162 VAL HG22 H 1 1.22 . . 1 . . . . . . . . 4335 1 1714 . 1 1 162 162 VAL HG23 H 1 1.22 . . 1 . . . . . . . . 4335 1 1715 . 1 1 162 162 VAL CA C 13 66.7 . . 1 . . . . . . . . 4335 1 1716 . 1 1 162 162 VAL CB C 13 31.9 . . 1 . . . . . . . . 4335 1 1717 . 1 1 162 162 VAL CG1 C 13 23.2 . . 2 . . . . . . . . 4335 1 1718 . 1 1 162 162 VAL CG2 C 13 22.5 . . 2 . . . . . . . . 4335 1 1719 . 1 1 162 162 VAL N N 15 119.7 . . 1 . . . . . . . . 4335 1 1720 . 1 1 165 165 PHE HA H 1 4.51 . . 1 . . . . . . . . 4335 1 1721 . 1 1 165 165 PHE HB2 H 1 2.85 . . 2 . . . . . . . . 4335 1 1722 . 1 1 165 165 PHE HB3 H 1 2.36 . . 2 . . . . . . . . 4335 1 1723 . 1 1 165 165 PHE CA C 13 57.8 . . 1 . . . . . . . . 4335 1 1724 . 1 1 165 165 PHE CB C 13 40.2 . . 1 . . . . . . . . 4335 1 1725 . 1 1 167 167 PHE HA H 1 4.62 . . 1 . . . . . . . . 4335 1 1726 . 1 1 167 167 PHE HB2 H 1 3.33 . . 2 . . . . . . . . 4335 1 1727 . 1 1 167 167 PHE HB3 H 1 2.97 . . 2 . . . . . . . . 4335 1 1728 . 1 1 167 167 PHE C C 13 176.4 . . 1 . . . . . . . . 4335 1 1729 . 1 1 167 167 PHE CA C 13 58.1 . . 1 . . . . . . . . 4335 1 1730 . 1 1 167 167 PHE CB C 13 40.3 . . 1 . . . . . . . . 4335 1 1731 . 1 1 168 168 GLY H H 1 7.67 . . 1 . . . . . . . . 4335 1 1732 . 1 1 168 168 GLY HA2 H 1 4.13 . . 2 . . . . . . . . 4335 1 1733 . 1 1 168 168 GLY HA3 H 1 3.61 . . 2 . . . . . . . . 4335 1 1734 . 1 1 168 168 GLY C C 13 174.1 . . 1 . . . . . . . . 4335 1 1735 . 1 1 168 168 GLY CA C 13 45.6 . . 1 . . . . . . . . 4335 1 1736 . 1 1 168 168 GLY N N 15 107.2 . . 1 . . . . . . . . 4335 1 1737 . 1 1 169 169 ARG H H 1 7.90 . . 1 . . . . . . . . 4335 1 1738 . 1 1 169 169 ARG HA H 1 4.23 . . 1 . . . . . . . . 4335 1 1739 . 1 1 169 169 ARG HB2 H 1 1.88 . . 2 . . . . . . . . 4335 1 1740 . 1 1 169 169 ARG HB3 H 1 1.59 . . 2 . . . . . . . . 4335 1 1741 . 1 1 169 169 ARG HG2 H 1 1.53 . . 1 . . . . . . . . 4335 1 1742 . 1 1 169 169 ARG HG3 H 1 1.53 . . 1 . . . . . . . . 4335 1 1743 . 1 1 169 169 ARG HD2 H 1 3.11 . . 1 . . . . . . . . 4335 1 1744 . 1 1 169 169 ARG HD3 H 1 3.11 . . 1 . . . . . . . . 4335 1 1745 . 1 1 169 169 ARG C C 13 174.7 . . 1 . . . . . . . . 4335 1 1746 . 1 1 169 169 ARG CA C 13 57.1 . . 1 . . . . . . . . 4335 1 1747 . 1 1 169 169 ARG CB C 13 31.6 . . 1 . . . . . . . . 4335 1 1748 . 1 1 169 169 ARG CG C 13 28.0 . . 1 . . . . . . . . 4335 1 1749 . 1 1 169 169 ARG CD C 13 43.4 . . 1 . . . . . . . . 4335 1 1750 . 1 1 169 169 ARG N N 15 119.2 . . 1 . . . . . . . . 4335 1 1751 . 1 1 170 170 LEU H H 1 7.07 . . 1 . . . . . . . . 4335 1 1752 . 1 1 170 170 LEU HA H 1 4.52 . . 1 . . . . . . . . 4335 1 1753 . 1 1 170 170 LEU HB2 H 1 1.54 . . 9 . . . . . . . . 4335 1 1754 . 1 1 170 170 LEU HB3 H 1 1.54 . . 9 . . . . . . . . 4335 1 1755 . 1 1 170 170 LEU HG H 1 1.58 . . 9 . . . . . . . . 4335 1 1756 . 1 1 170 170 LEU HD11 H 1 0.95 . . 1 . . . . . . . . 4335 1 1757 . 1 1 170 170 LEU HD12 H 1 0.95 . . 1 . . . . . . . . 4335 1 1758 . 1 1 170 170 LEU HD13 H 1 0.95 . . 1 . . . . . . . . 4335 1 1759 . 1 1 170 170 LEU HD21 H 1 0.95 . . 1 . . . . . . . . 4335 1 1760 . 1 1 170 170 LEU HD22 H 1 0.95 . . 1 . . . . . . . . 4335 1 1761 . 1 1 170 170 LEU HD23 H 1 0.95 . . 1 . . . . . . . . 4335 1 1762 . 1 1 170 170 LEU C C 13 176.1 . . 1 . . . . . . . . 4335 1 1763 . 1 1 170 170 LEU CA C 13 54.1 . . 1 . . . . . . . . 4335 1 1764 . 1 1 170 170 LEU CB C 13 45.9 . . 1 . . . . . . . . 4335 1 1765 . 1 1 170 170 LEU CG C 13 28.1 . . 1 . . . . . . . . 4335 1 1766 . 1 1 170 170 LEU CD1 C 13 25.7 . . 1 . . . . . . . . 4335 1 1767 . 1 1 170 170 LEU CD2 C 13 25.7 . . 1 . . . . . . . . 4335 1 1768 . 1 1 170 170 LEU N N 15 118.0 . . 1 . . . . . . . . 4335 1 1769 . 1 1 171 171 ASP H H 1 8.88 . . 1 . . . . . . . . 4335 1 1770 . 1 1 171 171 ASP HA H 1 4.90 . . 1 . . . . . . . . 4335 1 1771 . 1 1 171 171 ASP HB2 H 1 2.85 . . 2 . . . . . . . . 4335 1 1772 . 1 1 171 171 ASP HB3 H 1 2.49 . . 2 . . . . . . . . 4335 1 1773 . 1 1 171 171 ASP C C 13 175.1 . . 1 . . . . . . . . 4335 1 1774 . 1 1 171 171 ASP CA C 13 54.3 . . 1 . . . . . . . . 4335 1 1775 . 1 1 171 171 ASP CB C 13 41.4 . . 1 . . . . . . . . 4335 1 1776 . 1 1 171 171 ASP N N 15 123.3 . . 1 . . . . . . . . 4335 1 1777 . 1 1 172 172 VAL H H 1 6.75 . . 1 . . . . . . . . 4335 1 1778 . 1 1 172 172 VAL HA H 1 3.99 . . 1 . . . . . . . . 4335 1 1779 . 1 1 172 172 VAL HB H 1 1.65 . . 1 . . . . . . . . 4335 1 1780 . 1 1 172 172 VAL HG11 H 1 0.64 . . 2 . . . . . . . . 4335 1 1781 . 1 1 172 172 VAL HG12 H 1 0.64 . . 2 . . . . . . . . 4335 1 1782 . 1 1 172 172 VAL HG13 H 1 0.64 . . 2 . . . . . . . . 4335 1 1783 . 1 1 172 172 VAL HG21 H 1 0.73 . . 2 . . . . . . . . 4335 1 1784 . 1 1 172 172 VAL HG22 H 1 0.73 . . 2 . . . . . . . . 4335 1 1785 . 1 1 172 172 VAL HG23 H 1 0.73 . . 2 . . . . . . . . 4335 1 1786 . 1 1 172 172 VAL C C 13 178.5 . . 1 . . . . . . . . 4335 1 1787 . 1 1 172 172 VAL CA C 13 61.2 . . 1 . . . . . . . . 4335 1 1788 . 1 1 172 172 VAL CB C 13 33.0 . . 1 . . . . . . . . 4335 1 1789 . 1 1 172 172 VAL CG1 C 13 21.3 . . 2 . . . . . . . . 4335 1 1790 . 1 1 172 172 VAL CG2 C 13 20.6 . . 2 . . . . . . . . 4335 1 1791 . 1 1 172 172 VAL N N 15 118.2 . . 1 . . . . . . . . 4335 1 1792 . 1 1 173 173 GLU H H 1 9.22 . . 1 . . . . . . . . 4335 1 1793 . 1 1 173 173 GLU CA C 13 57.8 . . 1 . . . . . . . . 4335 1 1794 . 1 1 173 173 GLU N N 15 121.1 . . 1 . . . . . . . . 4335 1 1795 . 1 1 176 176 GLY H H 1 7.48 . . 1 . . . . . . . . 4335 1 1796 . 1 1 176 176 GLY HA2 H 1 4.03 . . 2 . . . . . . . . 4335 1 1797 . 1 1 176 176 GLY HA3 H 1 3.62 . . 2 . . . . . . . . 4335 1 1798 . 1 1 176 176 GLY CA C 13 46.8 . . 1 . . . . . . . . 4335 1 1799 . 1 1 176 176 GLY N N 15 112.0 . . 1 . . . . . . . . 4335 1 stop_ save_