data_17902 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17902 _Entry.Title ; Solution structure of CCL2 in complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-30 _Entry.Accession_date 2011-08-30 _Entry.Last_release_date 2016-06-29 _Entry.Original_release_date 2016-06-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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.ORCID _Entry_author.Entry_ID 1 Mario Schubert . . . . 17902 2 Silvia Bleuler-Martinez . . . . 17902 3 Martin Walti . A. . . 17902 4 Pascal Egloff . . . . 17902 5 Markus Aebi . . . . 17902 6 Markus Kuenzler . . . . 17902 7 Frederic Allain . H. . . 17902 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17902 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'carbohydrate recognition' . 17902 lectin . 17902 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17902 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 621 17902 '15N chemical shifts' 163 17902 '1H chemical shifts' 1012 17902 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 . . 2016-06-29 . original BMRB . 17902 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17890 'lectin CCL2 (free)' 17902 PDB 2LIQ 'BMRB Entry Tracking System' 17902 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17902 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22615566 _Citation.Full_citation . _Citation.Title ; Plasticity of the beta-Trefoil Protein Fold in the Recognition and Control of Invertebrate Predators and Parasites by a Fungal Defence System ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Pathog.' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue 5 _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 e1002706 _Citation.Page_last e1002706 _Citation.Year 2012 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mario Schubert . . . . 17902 1 2 Silvia Bleuler-Martinez . . . . 17902 1 3 Alex Butschi . . . . 17902 1 4 Martin Walti . A. . . 17902 1 5 Pascal Egloff . . . . 17902 1 6 Katrin Stutz . . . . 17902 1 7 Shi Yan . . . . 17902 1 8 Iain Wilson . B.H. . . 17902 1 9 Michael Hengartner . O. . . 17902 1 10 Markus Aebi . . . . 17902 1 11 Frederic Allain . H.T. . . 17902 1 12 Markus Kunzler . . . . 17902 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17902 _Assembly.ID 1 _Assembly.Name 'CCL2 (+carbohydrate)' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CCL2 1 $CCL2 A . yes native no no . . . 17902 1 2 GlcNAc-beta1_4-(Fuc-alpha1_3-)GlcNAc-beta-spacer 2 $GlcNAc-beta1_4-(Fuc-alpha1_3-)GlcNAc-beta-spacer B . yes native no no . . . 17902 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CCL2 _Entity.Sf_category entity _Entity.Sf_framecode CCL2 _Entity.Entry_ID 17902 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CCL2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHHHSGDSPAVTLS AGNYIIYNRVLSPRGEKLAL TYPGRQRTPVTVSPLDGSSE QAWILRSYDSNSNTWTISPV GSPNSQIGWGAGNVPVVLPP NNYVWTLTLTSGGYNIQDGK RTVSWSLNNATAGEEVSIGA DATFSGRWVIEKV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 153 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16604.430 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 17902 1 2 2 GLY . 17902 1 3 3 HIS . 17902 1 4 4 HIS . 17902 1 5 5 HIS . 17902 1 6 6 HIS . 17902 1 7 7 HIS . 17902 1 8 8 HIS . 17902 1 9 9 HIS . 17902 1 10 10 HIS . 17902 1 11 11 SER . 17902 1 12 12 GLY . 17902 1 13 13 ASP . 17902 1 14 14 SER . 17902 1 15 15 PRO . 17902 1 16 16 ALA . 17902 1 17 17 VAL . 17902 1 18 18 THR . 17902 1 19 19 LEU . 17902 1 20 20 SER . 17902 1 21 21 ALA . 17902 1 22 22 GLY . 17902 1 23 23 ASN . 17902 1 24 24 TYR . 17902 1 25 25 ILE . 17902 1 26 26 ILE . 17902 1 27 27 TYR . 17902 1 28 28 ASN . 17902 1 29 29 ARG . 17902 1 30 30 VAL . 17902 1 31 31 LEU . 17902 1 32 32 SER . 17902 1 33 33 PRO . 17902 1 34 34 ARG . 17902 1 35 35 GLY . 17902 1 36 36 GLU . 17902 1 37 37 LYS . 17902 1 38 38 LEU . 17902 1 39 39 ALA . 17902 1 40 40 LEU . 17902 1 41 41 THR . 17902 1 42 42 TYR . 17902 1 43 43 PRO . 17902 1 44 44 GLY . 17902 1 45 45 ARG . 17902 1 46 46 GLN . 17902 1 47 47 ARG . 17902 1 48 48 THR . 17902 1 49 49 PRO . 17902 1 50 50 VAL . 17902 1 51 51 THR . 17902 1 52 52 VAL . 17902 1 53 53 SER . 17902 1 54 54 PRO . 17902 1 55 55 LEU . 17902 1 56 56 ASP . 17902 1 57 57 GLY . 17902 1 58 58 SER . 17902 1 59 59 SER . 17902 1 60 60 GLU . 17902 1 61 61 GLN . 17902 1 62 62 ALA . 17902 1 63 63 TRP . 17902 1 64 64 ILE . 17902 1 65 65 LEU . 17902 1 66 66 ARG . 17902 1 67 67 SER . 17902 1 68 68 TYR . 17902 1 69 69 ASP . 17902 1 70 70 SER . 17902 1 71 71 ASN . 17902 1 72 72 SER . 17902 1 73 73 ASN . 17902 1 74 74 THR . 17902 1 75 75 TRP . 17902 1 76 76 THR . 17902 1 77 77 ILE . 17902 1 78 78 SER . 17902 1 79 79 PRO . 17902 1 80 80 VAL . 17902 1 81 81 GLY . 17902 1 82 82 SER . 17902 1 83 83 PRO . 17902 1 84 84 ASN . 17902 1 85 85 SER . 17902 1 86 86 GLN . 17902 1 87 87 ILE . 17902 1 88 88 GLY . 17902 1 89 89 TRP . 17902 1 90 90 GLY . 17902 1 91 91 ALA . 17902 1 92 92 GLY . 17902 1 93 93 ASN . 17902 1 94 94 VAL . 17902 1 95 95 PRO . 17902 1 96 96 VAL . 17902 1 97 97 VAL . 17902 1 98 98 LEU . 17902 1 99 99 PRO . 17902 1 100 100 PRO . 17902 1 101 101 ASN . 17902 1 102 102 ASN . 17902 1 103 103 TYR . 17902 1 104 104 VAL . 17902 1 105 105 TRP . 17902 1 106 106 THR . 17902 1 107 107 LEU . 17902 1 108 108 THR . 17902 1 109 109 LEU . 17902 1 110 110 THR . 17902 1 111 111 SER . 17902 1 112 112 GLY . 17902 1 113 113 GLY . 17902 1 114 114 TYR . 17902 1 115 115 ASN . 17902 1 116 116 ILE . 17902 1 117 117 GLN . 17902 1 118 118 ASP . 17902 1 119 119 GLY . 17902 1 120 120 LYS . 17902 1 121 121 ARG . 17902 1 122 122 THR . 17902 1 123 123 VAL . 17902 1 124 124 SER . 17902 1 125 125 TRP . 17902 1 126 126 SER . 17902 1 127 127 LEU . 17902 1 128 128 ASN . 17902 1 129 129 ASN . 17902 1 130 130 ALA . 17902 1 131 131 THR . 17902 1 132 132 ALA . 17902 1 133 133 GLY . 17902 1 134 134 GLU . 17902 1 135 135 GLU . 17902 1 136 136 VAL . 17902 1 137 137 SER . 17902 1 138 138 ILE . 17902 1 139 139 GLY . 17902 1 140 140 ALA . 17902 1 141 141 ASP . 17902 1 142 142 ALA . 17902 1 143 143 THR . 17902 1 144 144 PHE . 17902 1 145 145 SER . 17902 1 146 146 GLY . 17902 1 147 147 ARG . 17902 1 148 148 TRP . 17902 1 149 149 VAL . 17902 1 150 150 ILE . 17902 1 151 151 GLU . 17902 1 152 152 LYS . 17902 1 153 153 VAL . 17902 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17902 1 . GLY 2 2 17902 1 . HIS 3 3 17902 1 . HIS 4 4 17902 1 . HIS 5 5 17902 1 . HIS 6 6 17902 1 . HIS 7 7 17902 1 . HIS 8 8 17902 1 . HIS 9 9 17902 1 . HIS 10 10 17902 1 . SER 11 11 17902 1 . GLY 12 12 17902 1 . ASP 13 13 17902 1 . SER 14 14 17902 1 . PRO 15 15 17902 1 . ALA 16 16 17902 1 . VAL 17 17 17902 1 . THR 18 18 17902 1 . LEU 19 19 17902 1 . SER 20 20 17902 1 . ALA 21 21 17902 1 . GLY 22 22 17902 1 . ASN 23 23 17902 1 . TYR 24 24 17902 1 . ILE 25 25 17902 1 . ILE 26 26 17902 1 . TYR 27 27 17902 1 . ASN 28 28 17902 1 . ARG 29 29 17902 1 . VAL 30 30 17902 1 . LEU 31 31 17902 1 . SER 32 32 17902 1 . PRO 33 33 17902 1 . ARG 34 34 17902 1 . GLY 35 35 17902 1 . GLU 36 36 17902 1 . LYS 37 37 17902 1 . LEU 38 38 17902 1 . ALA 39 39 17902 1 . LEU 40 40 17902 1 . THR 41 41 17902 1 . TYR 42 42 17902 1 . PRO 43 43 17902 1 . GLY 44 44 17902 1 . ARG 45 45 17902 1 . GLN 46 46 17902 1 . ARG 47 47 17902 1 . THR 48 48 17902 1 . PRO 49 49 17902 1 . VAL 50 50 17902 1 . THR 51 51 17902 1 . VAL 52 52 17902 1 . SER 53 53 17902 1 . PRO 54 54 17902 1 . LEU 55 55 17902 1 . ASP 56 56 17902 1 . GLY 57 57 17902 1 . SER 58 58 17902 1 . SER 59 59 17902 1 . GLU 60 60 17902 1 . GLN 61 61 17902 1 . ALA 62 62 17902 1 . TRP 63 63 17902 1 . ILE 64 64 17902 1 . LEU 65 65 17902 1 . ARG 66 66 17902 1 . SER 67 67 17902 1 . TYR 68 68 17902 1 . ASP 69 69 17902 1 . SER 70 70 17902 1 . ASN 71 71 17902 1 . SER 72 72 17902 1 . ASN 73 73 17902 1 . THR 74 74 17902 1 . TRP 75 75 17902 1 . THR 76 76 17902 1 . ILE 77 77 17902 1 . SER 78 78 17902 1 . PRO 79 79 17902 1 . VAL 80 80 17902 1 . GLY 81 81 17902 1 . SER 82 82 17902 1 . PRO 83 83 17902 1 . ASN 84 84 17902 1 . SER 85 85 17902 1 . GLN 86 86 17902 1 . ILE 87 87 17902 1 . GLY 88 88 17902 1 . TRP 89 89 17902 1 . GLY 90 90 17902 1 . ALA 91 91 17902 1 . GLY 92 92 17902 1 . ASN 93 93 17902 1 . VAL 94 94 17902 1 . PRO 95 95 17902 1 . VAL 96 96 17902 1 . VAL 97 97 17902 1 . LEU 98 98 17902 1 . PRO 99 99 17902 1 . PRO 100 100 17902 1 . ASN 101 101 17902 1 . ASN 102 102 17902 1 . TYR 103 103 17902 1 . VAL 104 104 17902 1 . TRP 105 105 17902 1 . THR 106 106 17902 1 . LEU 107 107 17902 1 . THR 108 108 17902 1 . LEU 109 109 17902 1 . THR 110 110 17902 1 . SER 111 111 17902 1 . GLY 112 112 17902 1 . GLY 113 113 17902 1 . TYR 114 114 17902 1 . ASN 115 115 17902 1 . ILE 116 116 17902 1 . GLN 117 117 17902 1 . ASP 118 118 17902 1 . GLY 119 119 17902 1 . LYS 120 120 17902 1 . ARG 121 121 17902 1 . THR 122 122 17902 1 . VAL 123 123 17902 1 . SER 124 124 17902 1 . TRP 125 125 17902 1 . SER 126 126 17902 1 . LEU 127 127 17902 1 . ASN 128 128 17902 1 . ASN 129 129 17902 1 . ALA 130 130 17902 1 . THR 131 131 17902 1 . ALA 132 132 17902 1 . GLY 133 133 17902 1 . GLU 134 134 17902 1 . GLU 135 135 17902 1 . VAL 136 136 17902 1 . SER 137 137 17902 1 . ILE 138 138 17902 1 . GLY 139 139 17902 1 . ALA 140 140 17902 1 . ASP 141 141 17902 1 . ALA 142 142 17902 1 . THR 143 143 17902 1 . PHE 144 144 17902 1 . SER 145 145 17902 1 . GLY 146 146 17902 1 . ARG 147 147 17902 1 . TRP 148 148 17902 1 . VAL 149 149 17902 1 . ILE 150 150 17902 1 . GLU 151 151 17902 1 . LYS 152 152 17902 1 . VAL 153 153 17902 1 stop_ save_ save_GlcNAc-beta1_4-(Fuc-alpha1_3-)GlcNAc-beta-spacer _Entity.Sf_category entity _Entity.Sf_framecode GlcNAc-beta1_4-(Fuc-alpha1_3-)GlcNAc-beta-spacer _Entity.Entry_ID 17902 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name GlcNAc-beta1_4-(Fuc-alpha1_3-)GlcNAc-beta-spacer _Entity.Type polymer _Entity.Polymer_common_type polysaccharide _Entity.Polymer_type polysaccharide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XXX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 3 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . NAG . 17902 2 2 . MAG . 17902 2 3 . FUC . 17902 2 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 . NAG 1 1 17902 2 . MAG 2 2 17902 2 . FUC 3 3 17902 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 17902 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CCL2 . 5346 organism . 'Coprinopsis cinerea' 'Coprinopsis cinerea' . . Eukaryota Fungi Coprinopsis cinerea . . . . . . . . . . . . . 17902 1 2 2 $GlcNAc-beta1_4-(Fuc-alpha1_3-)GlcNAc-beta-spacer . . organism . invertebrates . . . . . . . . . . . . . . . . . . . . 17902 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 17902 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CCL2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET22 . . . 17902 1 2 2 $GlcNAc-beta1_4-(Fuc-alpha1_3-)GlcNAc-beta-spacer . 'chemical synthesis' . . . . . . . . . . . . . . . . 17902 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NAG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NAG _Chem_comp.Entry_ID 17902 _Chem_comp.ID NAG _Chem_comp.Provenance PDB _Chem_comp.Name N-ACETYL-D-GLUCOSAMINE _Chem_comp.Type D-SACCHARIDE _Chem_comp.BMRB_code . _Chem_comp.PDB_code NAG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-07-01 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NAG _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C8 H15 N O6' _Chem_comp.Formula_weight 221.208 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 8PCH _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 9 15:25:33 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(=O)NC1C(C(C(OC1O)CO)O)O SMILES 'OpenEye OEToolkits' 1.7.2 17902 NAG CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.2 17902 NAG CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O SMILES_CANONICAL CACTVS 3.370 17902 NAG CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O SMILES CACTVS 3.370 17902 NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 InChI InChI 1.03 17902 NAG O=C(NC1C(O)C(O)C(OC1O)CO)C SMILES ACDLabs 12.01 17902 NAG OVRNDRQMDRJTHS-FMDGEEDCSA-N InChIKey InChI 1.03 17902 NAG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 2-(acetylamino)-2-deoxy-beta-D-glucopyranose 'SYSTEMATIC NAME' ACDLabs 12.01 17902 NAG N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.2 17902 NAG 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 C1 . C1 . . C . . R 0 . . . . no no . . . . 7.396 . 28.163 . 26.662 . 0.185 1.082 -0.421 1 . 17902 NAG C2 . C2 . . C . . R 0 . . . . no no . . . . 6.973 . 29.233 . 27.644 . 0.790 -0.220 0.112 2 . 17902 NAG C3 . C3 . . C . . R 0 . . . . no no . . . . 7.667 . 29.055 . 29.000 . -0.124 -1.390 -0.265 3 . 17902 NAG C4 . C4 . . C . . S 0 . . . . no no . . . . 7.573 . 27.588 . 29.490 . -1.526 -1.129 0.294 4 . 17902 NAG C5 . C5 . . C . . R 0 . . . . no no . . . . 7.902 . 26.592 . 28.373 . -2.042 0.207 -0.246 5 . 17902 NAG C6 . C6 . . C . . N 0 . . . . no no . . . . 7.599 . 25.173 . 28.797 . -3.417 0.504 0.355 6 . 17902 NAG C7 . C7 . . C . . N 0 . . . . no no . . . . 6.291 . 31.299 . 26.595 . 3.197 0.157 0.076 7 . 17902 NAG C8 . C8 . . C . . N 0 . . . . no no . . . . 6.684 . 32.649 . 26.036 . 4.559 -0.052 -0.533 8 . 17902 NAG N2 . N2 . . N . . N 0 . . . . no no . . . . 7.268 . 30.545 . 27.089 . 2.114 -0.422 -0.480 9 . 17902 NAG O1 . O1 . . O . . N 0 . . . . no yes . . . . 6.676 . 28.363 . 25.419 . 1.003 2.185 -0.024 10 . 17902 NAG O3 . O3 . . O . . N 0 . . . . no yes . . . . 7.038 . 29.909 . 29.947 . 0.395 -2.600 0.291 11 . 17902 NAG O4 . O4 . . O . . N 0 . . . . no no . . . . 8.494 . 27.358 . 30.574 . -2.405 -2.180 -0.114 12 . 17902 NAG O5 . O5 . . O . . N 0 . . . . no no . . . . 7.104 . 26.875 . 27.206 . -1.130 1.248 0.113 13 . 17902 NAG O6 . O6 . . O . . N 0 . . . . no no . . . . 6.232 . 25.040 . 29.165 . -3.949 1.691 -0.236 14 . 17902 NAG O7 . O7 . . O . . N 0 . . . . no no . . . . 5.114 . 30.936 . 26.562 . 3.074 0.845 1.067 15 . 17902 NAG H1 . H1 . . H . . N 0 . . . . no no . . . . 8.478 . 28.225 . 26.471 . 0.133 1.040 -1.509 16 . 17902 NAG H2 . H2 . . H . . N 0 . . . . no no . . . . 5.890 . 29.142 . 27.814 . 0.879 -0.163 1.197 17 . 17902 NAG H3 . H3 . . H . . N 0 . . . . no no . . . . 8.731 . 29.311 . 28.891 . -0.174 -1.478 -1.350 18 . 17902 NAG H4 . H4 . . H . . N 0 . . . . no no . . . . 6.536 . 27.433 . 29.822 . -1.483 -1.091 1.382 19 . 17902 NAG H5 . H5 . . H . . N 0 . . . . no no . . . . 8.975 . 26.694 . 28.151 . -2.123 0.154 -1.332 20 . 17902 NAG H61 . H61 . . H . . N 0 . . . . no no . . . . 7.813 . 24.494 . 27.959 . -4.088 -0.333 0.157 21 . 17902 NAG H62 . H62 . . H . . N 0 . . . . no no . . . . 8.230 . 24.913 . 29.659 . -3.320 0.645 1.431 22 . 17902 NAG H81 . H81 . . H . . N 0 . . . . no no . . . . 5.791 . 33.159 . 25.646 . 4.560 0.320 -1.558 23 . 17902 NAG H82 . H82 . . H . . N 0 . . . . no no . . . . 7.136 . 33.258 . 26.833 . 5.305 0.490 0.050 24 . 17902 NAG H83 . H83 . . H . . N 0 . . . . no no . . . . 7.411 . 32.511 . 25.222 . 4.799 -1.115 -0.532 25 . 17902 NAG HN2 . HN2 . . H . . N 0 . . . . no no . . . . 8.210 . 30.881 . 27.079 . 2.212 -0.973 -1.273 26 . 17902 NAG HO1 . HO1 . . H . . N 0 . . . . no no . . . . 6.933 . 27.696 . 24.793 . 0.679 3.044 -0.328 27 . 17902 NAG HO3 . HO3 . . H . . N 0 . . . . no no . . . . 7.459 . 29.809 . 30.793 . -0.135 -3.384 0.091 28 . 17902 NAG HO4 . HO4 . . H . . N 0 . . . . no no . . . . 8.425 . 26.456 . 30.863 . -3.312 -2.079 0.206 29 . 17902 NAG HO6 . HO6 . . H . . N 0 . . . . no no . . . . 6.060 . 24.143 . 29.428 . -4.822 1.940 0.099 30 . 17902 NAG stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . 17902 NAG 2 . SING C1 O1 no N 2 . 17902 NAG 3 . SING C1 O5 no N 3 . 17902 NAG 4 . SING C1 H1 no N 4 . 17902 NAG 5 . SING C2 C3 no N 5 . 17902 NAG 6 . SING C2 N2 no N 6 . 17902 NAG 7 . SING C2 H2 no N 7 . 17902 NAG 8 . SING C3 C4 no N 8 . 17902 NAG 9 . SING C3 O3 no N 9 . 17902 NAG 10 . SING C3 H3 no N 10 . 17902 NAG 11 . SING C4 C5 no N 11 . 17902 NAG 12 . SING C4 O4 no N 12 . 17902 NAG 13 . SING C4 H4 no N 13 . 17902 NAG 14 . SING C5 C6 no N 14 . 17902 NAG 15 . SING C5 O5 no N 15 . 17902 NAG 16 . SING C5 H5 no N 16 . 17902 NAG 17 . SING C6 O6 no N 17 . 17902 NAG 18 . SING C6 H61 no N 18 . 17902 NAG 19 . SING C6 H62 no N 19 . 17902 NAG 20 . SING C7 C8 no N 20 . 17902 NAG 21 . SING C7 N2 no N 21 . 17902 NAG 22 . DOUB C7 O7 no N 22 . 17902 NAG 23 . SING C8 H81 no N 23 . 17902 NAG 24 . SING C8 H82 no N 24 . 17902 NAG 25 . SING C8 H83 no N 25 . 17902 NAG 26 . SING N2 HN2 no N 26 . 17902 NAG 27 . SING O1 HO1 no N 27 . 17902 NAG 28 . SING O3 HO3 no N 28 . 17902 NAG 29 . SING O4 HO4 no N 29 . 17902 NAG 30 . SING O6 HO6 no N 30 . 17902 NAG stop_ save_ save_chem_comp_MAG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MAG _Chem_comp.Entry_ID 17902 _Chem_comp.ID MAG _Chem_comp.Provenance PDB _Chem_comp.Name BETA-METHYL-N-ACETYL-D-GLUCOSAMINE _Chem_comp.Type D-SACCHARIDE _Chem_comp.BMRB_code . _Chem_comp.PDB_code MAG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces 1NA _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MAG _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C9 H17 N O6' _Chem_comp.Formula_weight 235.234 _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 1GSL _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 9 15:49:45 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(=O)NC1C(C(C(OC1OC)CO)O)O SMILES 'OpenEye OEToolkits' 1.5.0 17902 MAG CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17902 MAG CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O SMILES_CANONICAL CACTVS 3.341 17902 MAG CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O SMILES CACTVS 3.341 17902 MAG InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/m1/s1 InChI InChI 1.03 17902 MAG O=C(NC1C(O)C(O)C(OC1OC)CO)C SMILES ACDLabs 10.04 17902 MAG ZEVOCXOZYFLVKN-JGKVKWKGSA-N InChIKey InChI 1.03 17902 MAG 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 N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]ethanamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17902 MAG 'methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside' 'SYSTEMATIC NAME' ACDLabs 10.04 17902 MAG 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 C1 . C1 . . C . . R 0 . . . . no no . . . . 31.488 . 12.505 . 35.175 . 0.887 -0.306 0.119 1 . 17902 MAG C2 . C2 . . C . . R 0 . . . . no no . . . . 32.511 . 13.557 . 34.750 . -0.431 0.126 0.764 2 . 17902 MAG C3 . C3 . . C . . R 0 . . . . no no . . . . 31.924 . 14.406 . 33.611 . -1.593 -0.303 -0.138 3 . 17902 MAG C4 . C4 . . C . . S 0 . . . . no no . . . . 31.598 . 13.464 . 32.438 . -1.346 0.245 -1.548 4 . 17902 MAG C5 . C5 . . C . . R 0 . . . . no no . . . . 30.636 . 12.351 . 32.926 . 0.042 -0.195 -2.018 5 . 17902 MAG C6 . C6 . . C . . N 0 . . . . no no . . . . 30.368 . 11.296 . 31.862 . 0.284 0.320 -3.438 6 . 17902 MAG C7 . C7 . . C . . N 0 . . . . no no . . . . 34.153 . 14.454 . 36.302 . -0.098 0.107 3.178 7 . 17902 MAG C8 . C8 . . C . . N 0 . . . . no no . . . . 35.212 . 13.639 . 35.567 . -0.239 -0.548 4.527 8 . 17902 MAG N2 . N2 . . N . . N 0 . . . . no no . . . . 32.886 . 14.385 . 35.883 . -0.568 -0.510 2.076 9 . 17902 MAG O1 . O1 . . O . . N 0 . . . . no no . . . . 31.879 . 11.638 . 36.189 . 1.975 0.060 0.970 10 . 17902 MAG O3 . O3 . . O . . N 0 . . . . no no . . . . 32.892 . 15.393 . 33.182 . -2.820 0.222 0.371 11 . 17902 MAG O4 . O4 . . O . . N 0 . . . . no no . . . . 30.991 . 14.221 . 31.357 . -2.337 -0.263 -2.442 12 . 17902 MAG O5 . O5 . . O . . N 0 . . . . no no . . . . 31.194 . 11.646 . 34.064 . 1.038 0.333 -1.145 13 . 17902 MAG O6 . O6 . . O . . N 0 . . . . no no . . . . 31.569 . 10.630 . 31.490 . 1.576 -0.096 -3.882 14 . 17902 MAG O7 . O7 . . O . . N 0 . . . . no no . . . . 34.475 . 15.167 . 37.253 . 0.437 1.191 3.083 15 . 17902 MAG CM . CM . . C . . N 0 . . . . no no . . . . 32.981 . 10.748 . 35.898 . 3.172 -0.371 0.320 16 . 17902 MAG H1 . H1 . . H . . N 0 . . . . no no . . . . 30.632 . 13.116 . 35.545 . 0.884 -1.387 -0.019 17 . 17902 MAG H2 . H2 . . H . . N 0 . . . . no no . . . . 33.434 . 13.052 . 34.380 . -0.442 1.210 0.882 18 . 17902 MAG H3 . H3 . . H . . N 0 . . . . no no . . . . 31.005 . 14.934 . 33.958 . -1.647 -1.391 -0.173 19 . 17902 MAG H4 . H4 . . H . . N 0 . . . . no no . . . . 32.535 . 12.993 . 32.060 . -1.395 1.334 -1.530 20 . 17902 MAG H5 . H5 . . H . . N 0 . . . . no no . . . . 29.688 . 12.877 . 33.187 . 0.097 -1.284 -2.014 21 . 17902 MAG H61 . H61 . . H . . N 0 . . . . no no . . . . 29.581 . 10.575 . 32.186 . -0.477 -0.083 -4.106 22 . 17902 MAG H62 . H62 . . H . . N 0 . . . . no no . . . . 29.846 . 11.728 . 30.976 . 0.231 1.408 -3.443 23 . 17902 MAG H81 . H81 . . H . . N 0 . . . . no no . . . . 36.269 . 13.696 . 35.916 . 0.195 0.095 5.291 24 . 17902 MAG H82 . H82 . . H . . N 0 . . . . no no . . . . 34.895 . 12.570 . 35.547 . -1.295 -0.708 4.745 25 . 17902 MAG H83 . H83 . . H . . N 0 . . . . no no . . . . 35.175 . 13.894 . 34.482 . 0.279 -1.506 4.521 26 . 17902 MAG HN2 . HN2 . . H . . N 0 . . . . no no . . . . 32.222 . 14.949 . 36.413 . -0.996 -1.377 2.151 27 . 17902 MAG HO3 . HO3 . . H . . N 0 . . . . no no . . . . 32.529 . 15.917 . 32.478 . -3.519 -0.062 -0.233 28 . 17902 MAG HO4 . HO4 . . H . . N 0 . . . . no no . . . . 30.789 . 13.639 . 30.633 . -2.140 0.100 -3.315 29 . 17902 MAG HO6 . HO6 . . H . . N 0 . . . . no no . . . . 31.401 . 9.971 . 30.825 . 1.688 0.248 -4.779 30 . 17902 MAG HM1 . HM1 . . H . . N 0 . . . . no no . . . . 33.294 . 10.052 . 36.711 . 4.033 -0.111 0.935 31 . 17902 MAG HM2 . HM2 . . H . . N 0 . . . . no no . . . . 32.755 . 10.164 . 34.974 . 3.139 -1.451 0.178 32 . 17902 MAG HM3 . HM3 . . H . . N 0 . . . . no no . . . . 33.860 . 11.342 . 35.555 . 3.256 0.120 -0.649 33 . 17902 MAG stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . 17902 MAG 2 . SING C1 O1 no N 2 . 17902 MAG 3 . SING C1 O5 no N 3 . 17902 MAG 4 . SING C1 H1 no N 4 . 17902 MAG 5 . SING C2 C3 no N 5 . 17902 MAG 6 . SING C2 N2 no N 6 . 17902 MAG 7 . SING C2 H2 no N 7 . 17902 MAG 8 . SING C3 C4 no N 8 . 17902 MAG 9 . SING C3 O3 no N 9 . 17902 MAG 10 . SING C3 H3 no N 10 . 17902 MAG 11 . SING C4 C5 no N 11 . 17902 MAG 12 . SING C4 O4 no N 12 . 17902 MAG 13 . SING C4 H4 no N 13 . 17902 MAG 14 . SING C5 C6 no N 14 . 17902 MAG 15 . SING C5 O5 no N 15 . 17902 MAG 16 . SING C5 H5 no N 16 . 17902 MAG 17 . SING C6 O6 no N 17 . 17902 MAG 18 . SING C6 H61 no N 18 . 17902 MAG 19 . SING C6 H62 no N 19 . 17902 MAG 20 . SING C7 C8 no N 20 . 17902 MAG 21 . SING C7 N2 no N 21 . 17902 MAG 22 . DOUB C7 O7 no N 22 . 17902 MAG 23 . SING C8 H81 no N 23 . 17902 MAG 24 . SING C8 H82 no N 24 . 17902 MAG 25 . SING C8 H83 no N 25 . 17902 MAG 26 . SING N2 HN2 no N 26 . 17902 MAG 27 . SING O1 CM no N 27 . 17902 MAG 28 . SING O3 HO3 no N 28 . 17902 MAG 29 . SING O4 HO4 no N 29 . 17902 MAG 30 . SING O6 HO6 no N 30 . 17902 MAG 31 . SING CM HM1 no N 31 . 17902 MAG 32 . SING CM HM2 no N 32 . 17902 MAG 33 . SING CM HM3 no N 33 . 17902 MAG stop_ save_ save_chem_comp_FUC _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FUC _Chem_comp.Entry_ID 17902 _Chem_comp.ID FUC _Chem_comp.Provenance PDB _Chem_comp.Name ALPHA-L-FUCOSE _Chem_comp.Type SACCHARIDE _Chem_comp.BMRB_code . _Chem_comp.PDB_code FUC _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FUC _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H12 O5' _Chem_comp.Formula_weight 164.156 _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 1AX0 _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 9 15:54:40 2011 ; _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 CC1C(C(C(C(O1)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 17902 FUC C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O SMILES_CANONICAL CACTVS 3.341 17902 FUC C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17902 FUC C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O SMILES CACTVS 3.341 17902 FUC InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1 InChI InChI 1.03 17902 FUC OC1C(O)C(OC(O)C1O)C SMILES ACDLabs 10.04 17902 FUC SHZGCJCMOBCMKK-SXUWKVJYSA-N InChIKey InChI 1.03 17902 FUC 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 (2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17902 FUC 6-deoxy-alpha-L-galactopyranose 'SYSTEMATIC NAME' ACDLabs 10.04 17902 FUC 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 C1 . C1 . . C . . R 0 . . . . no no . . . . -7.415 . -4.708 . 4.071 . 1.410 0.468 -0.410 1 . 17902 FUC C2 . C2 . . C . . S 0 . . . . no no . . . . -7.978 . -3.315 . 4.329 . 0.120 0.513 -1.233 2 . 17902 FUC C3 . C3 . . C . . R 0 . . . . no no . . . . -8.027 . -2.528 . 3.024 . -0.831 -0.576 -0.728 3 . 17902 FUC C4 . C4 . . C . . S 0 . . . . no no . . . . -8.835 . -3.301 . 1.987 . -1.016 -0.402 0.783 4 . 17902 FUC C5 . C5 . . C . . S 0 . . . . no no . . . . -8.262 . -4.708 . 1.820 . 0.359 -0.379 1.454 5 . 17902 FUC C6 . C6 . . C . . N 0 . . . . no no . . . . -9.101 . -5.570 . 0.898 . 0.185 -0.241 2.967 6 . 17902 FUC O1 . O1 . . O . . N 0 . . . . no yes . . . . -6.071 . -4.612 . 3.693 . 2.007 -0.823 -0.535 7 . 17902 FUC O2 . O2 . . O . . N 0 . . . . no no . . . . -7.160 . -2.636 . 5.269 . 0.424 0.284 -2.610 8 . 17902 FUC O3 . O3 . . O . . N 0 . . . . no no . . . . -8.624 . -1.259 . 3.250 . -2.094 -0.452 -1.385 9 . 17902 FUC O4 . O4 . . O . . N 0 . . . . no no . . . . -10.192 . -3.382 . 2.400 . -1.700 0.824 1.044 10 . 17902 FUC O5 . O5 . . O . . N 0 . . . . no no . . . . -8.205 . -5.378 . 3.096 . 1.116 0.724 0.961 11 . 17902 FUC H1 . H1 . . H . . N 0 . . . . no no . . . . -7.457 . -5.315 . 5.005 . 2.101 1.225 -0.780 12 . 17902 FUC H2 . H2 . . H . . N 0 . . . . no no . . . . -9.010 . -3.406 . 4.739 . -0.350 1.489 -1.121 13 . 17902 FUC H3 . H3 . . H . . N 0 . . . . no no . . . . -6.988 . -2.381 . 2.645 . -0.406 -1.558 -0.935 14 . 17902 FUC H4 . H4 . . H . . N 0 . . . . no no . . . . -8.777 . -2.767 . 1.009 . -1.598 -1.235 1.178 15 . 17902 FUC H5 . H5 . . H . . N 0 . . . . no no . . . . -7.245 . -4.579 . 1.379 . 0.886 -1.307 1.232 16 . 17902 FUC H61 . H61 . . H . . N 0 . . . . no no . . . . -8.683 . -6.596 . 0.776 . 1.164 -0.226 3.446 17 . 17902 FUC H62 . H62 . . H . . N 0 . . . . no no . . . . -10.162 . -5.606 . 1.238 . -0.341 0.686 3.190 18 . 17902 FUC H63 . H63 . . H . . N 0 . . . . no no . . . . -9.246 . -5.076 . -0.090 . -0.391 -1.085 3.345 19 . 17902 FUC HO1 . HO1 . . H . . N 0 . . . . no no . . . . -5.720 . -5.480 . 3.532 . 2.818 -0.808 -0.008 20 . 17902 FUC HO2 . HO2 . . H . . N 0 . . . . no no . . . . -7.510 . -1.767 . 5.429 . 1.029 0.986 -2.884 21 . 17902 FUC HO3 . HO3 . . H . . N 0 . . . . no no . . . . -8.654 . -0.768 . 2.436 . -1.928 -0.555 -2.332 22 . 17902 FUC HO4 . HO4 . . H . . N 0 . . . . no no . . . . -10.695 . -3.863 . 1.754 . -1.794 0.893 2.004 23 . 17902 FUC stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . 17902 FUC 2 . SING C1 O1 no N 2 . 17902 FUC 3 . SING C1 O5 no N 3 . 17902 FUC 4 . SING C1 H1 no N 4 . 17902 FUC 5 . SING C2 C3 no N 5 . 17902 FUC 6 . SING C2 O2 no N 6 . 17902 FUC 7 . SING C2 H2 no N 7 . 17902 FUC 8 . SING C3 C4 no N 8 . 17902 FUC 9 . SING C3 O3 no N 9 . 17902 FUC 10 . SING C3 H3 no N 10 . 17902 FUC 11 . SING C4 C5 no N 11 . 17902 FUC 12 . SING C4 O4 no N 12 . 17902 FUC 13 . SING C4 H4 no N 13 . 17902 FUC 14 . SING C5 C6 no N 14 . 17902 FUC 15 . SING C5 O5 no N 15 . 17902 FUC 16 . SING C5 H5 no N 16 . 17902 FUC 17 . SING C6 H61 no N 17 . 17902 FUC 18 . SING C6 H62 no N 18 . 17902 FUC 19 . SING C6 H63 no N 19 . 17902 FUC 20 . SING O1 HO1 no N 20 . 17902 FUC 21 . SING O2 HO2 no N 21 . 17902 FUC 22 . SING O3 HO3 no N 22 . 17902 FUC 23 . SING O4 HO4 no N 23 . 17902 FUC stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17902 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CCL2 '[U-100% 13C; U-100% 15N]' . . 1 $CCL2 . . 1 . . mM . . . . 17902 1 2 GlcNAc-beta1_4-(Fuc-alpha1_3-)GlcNAc-beta-spacer 'natural abundance' . . 2 $GlcNAc-beta1_4-(Fuc-alpha1_3-)GlcNAc-beta-spacer . . 1 . . mM . . . . 17902 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17902 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17902 1 5 'acetic acid' '[U-100% 2H]' . . . . . . ~41 . . mM . . . . 17902 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17902 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17902 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17902 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CCL2 '[U-100% 13C; U-100% 15N]' . . 1 $CCL2 . . 1 . . mM . . . . 17902 2 2 GlcNAc-beta1_4-(Fuc-alpha1_3-)GlcNAc-beta-spacer 'natural abundance' . . 2 $GlcNAc-beta1_4-(Fuc-alpha1_3-)GlcNAc-beta-spacer . . 1 . . mM . . . . 17902 2 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17902 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17902 2 5 'acetic acid' '[U-100% 2H]' . . . . . . ~41 . . mM . . . . 17902 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17902 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17902 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CCL2 '[U-100% 15N]' . . 1 $CCL2 . . 1 . . mM . . . . 17902 3 2 GlcNAc-beta1_4-(Fuc-alpha1_3-)GlcNAc-beta-spacer 'natural abundance' . . 2 $GlcNAc-beta1_4-(Fuc-alpha1_3-)GlcNAc-beta-spacer . . 1 . . mM . . . . 17902 3 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17902 3 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17902 3 5 'acetic acid' '[U-100% 2H]' . . . . . . ~41 . . mM . . . . 17902 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17902 3 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17902 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17902 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CCL2 '[U-100% 15N]' . . 1 $CCL2 . . 1 . . mM . . . . 17902 4 2 GlcNAc-beta1_4-(Fuc-alpha1_3-)GlcNAc-beta-spacer 'natural abundance' . . 2 $GlcNAc-beta1_4-(Fuc-alpha1_3-)GlcNAc-beta-spacer . . 1 . . mM . . . . 17902 4 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17902 4 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17902 4 5 'acetic acid' '[U-100% 2H]' . . . . . . ~41 . . mM . . . . 17902 4 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17902 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 17902 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CCL2 '[U-10% 13C, U-100% 15N]' . . 1 $CCL2 . . 1 . . mM . . . . 17902 5 2 GlcNAc-beta1_4-(Fuc-alpha1_3-)GlcNAc-beta-spacer 'natural abundance' . . 2 $GlcNAc-beta1_4-(Fuc-alpha1_3-)GlcNAc-beta-spacer . . 1 . . mM . . . . 17902 5 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17902 5 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17902 5 5 'acetic acid' '[U-100% 2H]' . . . . . . ~41 . . mM . . . . 17902 5 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17902 5 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17902 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17902 _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 'ionic strength' 150 . mM 17902 1 pH 4.7 . pH 17902 1 pressure 1 . atm 17902 1 temperature 310 . K 17902 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17902 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17902 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17902 1 processing 17902 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17902 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17902 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17902 2 'data analysis' 17902 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17902 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17902 3 'Herrmann, Guntert and Wuthrich' . . 17902 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17902 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17902 _Software.ID 4 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 17902 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17902 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17902 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17902 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17902 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17902 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17902 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17902 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17902 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17902 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 17902 1 2 spectrometer_2 Bruker Avance . 600 . . . 17902 1 3 spectrometer_3 Bruker Avance . 750 . . . 17902 1 4 spectrometer_4 Bruker Avance . 900 . . . 17902 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 17902 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 2 '2D NOESY' no . . . . . . . . . . 1 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 3 '3D 15N edited NOESY' no . . . . . . . . . . 1 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 4 '2D 15N F1-filtered,F2-filtered NOESY' no . . . . . . . . . . 1 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 5 '2D NOESY' no . . . . . . . . . . 1 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 6 '2D TOCSY' no . . . . . . . . . . 1 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 7 '2D 13C-HSQC' no . . . . . . . . . . 1 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 8 '2D 15N-HSQC' no . . . . . . . . . . 1 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 9 '2D 13C-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 10 '3D 13C edited-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 11 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 12 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 13 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 14 '2D 13C-HSQC' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 15 '3D HC(C)H-COSY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 16 '2D 13C F1-filtered TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 17 '2D 13C F1-filtered NOESY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 18 '2D 13C F1-filtered TOCSY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 19 '2D 13C F1-filtered F2-filtered NOESY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 20 '3D 13C F1-edited F3-filtered NOESY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 21 '2D constant-time 13C-HSQC' no . . . . . . . . . . 1 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17902 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17902 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 17902 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . 17902 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 17902 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_sugar_chemical_shift_bound _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode sugar_chemical_shift_bound _Assigned_chem_shift_list.Entry_ID 17902 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17902 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 178.034 0.100 . 1 . . . A 1 MET C . 17902 1 2 . 1 1 2 2 GLY H H 1 8.434 0.008 . 1 . . . A 2 GLY H . 17902 1 3 . 1 1 2 2 GLY HA2 H 1 3.894 0.004 . 1 . . . A 2 GLY HA2 . 17902 1 4 . 1 1 2 2 GLY HA3 H 1 3.894 0.004 . 1 . . . A 2 GLY HA3 . 17902 1 5 . 1 1 2 2 GLY C C 13 174.091 0.100 . 1 . . . A 2 GLY C . 17902 1 6 . 1 1 2 2 GLY CA C 13 45.028 0.017 . 1 . . . A 2 GLY CA . 17902 1 7 . 1 1 2 2 GLY N N 15 109.915 0.028 . 1 . . . A 2 GLY N . 17902 1 8 . 1 1 3 3 HIS H H 1 8.324 0.003 . 1 . . . A 3 HIS H . 17902 1 9 . 1 1 3 3 HIS HB2 H 1 3.026 0.007 . 1 . . . A 3 HIS HB2 . 17902 1 10 . 1 1 3 3 HIS HB3 H 1 3.026 0.007 . 1 . . . A 3 HIS HB3 . 17902 1 11 . 1 1 3 3 HIS CA C 13 55.369 0.053 . 1 . . . A 3 HIS CA . 17902 1 12 . 1 1 3 3 HIS CB C 13 28.871 0.040 . 1 . . . A 3 HIS CB . 17902 1 13 . 1 1 3 3 HIS N N 15 117.650 0.027 . 1 . . . A 3 HIS N . 17902 1 14 . 1 1 4 4 HIS H H 1 8.502 0.005 . 1 . . . A 4 HIS H . 17902 1 15 . 1 1 4 4 HIS HA H 1 4.644 0.010 . 1 . . . A 4 HIS HA . 17902 1 16 . 1 1 4 4 HIS CA C 13 55.337 0.045 . 1 . . . A 4 HIS CA . 17902 1 17 . 1 1 4 4 HIS CB C 13 29.115 0.100 . 1 . . . A 4 HIS CB . 17902 1 18 . 1 1 4 4 HIS N N 15 119.132 0.016 . 1 . . . A 4 HIS N . 17902 1 19 . 1 1 6 6 HIS HB2 H 1 3.155 0.010 . 2 . . . A 6 HIS HB2 . 17902 1 20 . 1 1 6 6 HIS HB3 H 1 3.078 0.010 . 2 . . . A 6 HIS HB3 . 17902 1 21 . 1 1 6 6 HIS CB C 13 29.308 0.005 . 1 . . . A 6 HIS CB . 17902 1 22 . 1 1 10 10 HIS HB2 H 1 3.250 0.007 . 2 . . . A 10 HIS HB2 . 17902 1 23 . 1 1 10 10 HIS HB3 H 1 3.166 0.006 . 2 . . . A 10 HIS HB3 . 17902 1 24 . 1 1 10 10 HIS HD2 H 1 7.220 0.010 . 1 . . . A 10 HIS HD2 . 17902 1 25 . 1 1 10 10 HIS C C 13 174.264 0.100 . 1 . . . A 10 HIS C . 17902 1 26 . 1 1 10 10 HIS CA C 13 55.507 0.021 . 1 . . . A 10 HIS CA . 17902 1 27 . 1 1 10 10 HIS CB C 13 29.374 0.059 . 1 . . . A 10 HIS CB . 17902 1 28 . 1 1 11 11 SER H H 1 8.453 0.006 . 1 . . . A 11 SER H . 17902 1 29 . 1 1 11 11 SER HA H 1 4.407 0.006 . 1 . . . A 11 SER HA . 17902 1 30 . 1 1 11 11 SER HB2 H 1 3.836 0.010 . 1 . . . A 11 SER HB2 . 17902 1 31 . 1 1 11 11 SER HB3 H 1 3.836 0.010 . 1 . . . A 11 SER HB3 . 17902 1 32 . 1 1 11 11 SER C C 13 174.835 0.100 . 1 . . . A 11 SER C . 17902 1 33 . 1 1 11 11 SER CA C 13 58.711 0.075 . 1 . . . A 11 SER CA . 17902 1 34 . 1 1 11 11 SER CB C 13 63.792 0.067 . 1 . . . A 11 SER CB . 17902 1 35 . 1 1 11 11 SER N N 15 118.350 0.036 . 1 . . . A 11 SER N . 17902 1 36 . 1 1 12 12 GLY H H 1 8.459 0.006 . 1 . . . A 12 GLY H . 17902 1 37 . 1 1 12 12 GLY HA2 H 1 3.979 0.005 . 1 . . . A 12 GLY HA2 . 17902 1 38 . 1 1 12 12 GLY HA3 H 1 3.979 0.005 . 1 . . . A 12 GLY HA3 . 17902 1 39 . 1 1 12 12 GLY C C 13 173.879 0.100 . 1 . . . A 12 GLY C . 17902 1 40 . 1 1 12 12 GLY CA C 13 45.406 0.016 . 1 . . . A 12 GLY CA . 17902 1 41 . 1 1 12 12 GLY N N 15 111.081 0.031 . 1 . . . A 12 GLY N . 17902 1 42 . 1 1 13 13 ASP H H 1 8.159 0.006 . 1 . . . A 13 ASP H . 17902 1 43 . 1 1 13 13 ASP HA H 1 4.652 0.002 . 1 . . . A 13 ASP HA . 17902 1 44 . 1 1 13 13 ASP HB2 H 1 2.682 0.013 . 2 . . . A 13 ASP HB2 . 17902 1 45 . 1 1 13 13 ASP HB3 H 1 2.625 0.009 . 2 . . . A 13 ASP HB3 . 17902 1 46 . 1 1 13 13 ASP C C 13 175.977 0.100 . 1 . . . A 13 ASP C . 17902 1 47 . 1 1 13 13 ASP CA C 13 54.177 0.089 . 1 . . . A 13 ASP CA . 17902 1 48 . 1 1 13 13 ASP CB C 13 41.122 0.064 . 1 . . . A 13 ASP CB . 17902 1 49 . 1 1 13 13 ASP N N 15 120.072 0.021 . 1 . . . A 13 ASP N . 17902 1 50 . 1 1 14 14 SER H H 1 8.224 0.007 . 1 . . . A 14 SER H . 17902 1 51 . 1 1 14 14 SER HA H 1 4.747 0.005 . 1 . . . A 14 SER HA . 17902 1 52 . 1 1 14 14 SER HB2 H 1 3.863 0.009 . 2 . . . A 14 SER HB2 . 17902 1 53 . 1 1 14 14 SER HB3 H 1 3.800 0.009 . 2 . . . A 14 SER HB3 . 17902 1 54 . 1 1 14 14 SER CA C 13 56.503 0.050 . 1 . . . A 14 SER CA . 17902 1 55 . 1 1 14 14 SER CB C 13 63.472 0.069 . 1 . . . A 14 SER CB . 17902 1 56 . 1 1 14 14 SER N N 15 116.998 0.027 . 1 . . . A 14 SER N . 17902 1 57 . 1 1 15 15 PRO HA H 1 4.427 0.005 . 1 . . . A 15 PRO HA . 17902 1 58 . 1 1 15 15 PRO HB2 H 1 2.275 0.004 . 2 . . . A 15 PRO HB2 . 17902 1 59 . 1 1 15 15 PRO HB3 H 1 1.909 0.005 . 2 . . . A 15 PRO HB3 . 17902 1 60 . 1 1 15 15 PRO HG2 H 1 1.975 0.007 . 1 . . . A 15 PRO HG2 . 17902 1 61 . 1 1 15 15 PRO HG3 H 1 1.975 0.007 . 1 . . . A 15 PRO HG3 . 17902 1 62 . 1 1 15 15 PRO HD2 H 1 3.768 0.008 . 2 . . . A 15 PRO HD2 . 17902 1 63 . 1 1 15 15 PRO HD3 H 1 3.683 0.006 . 2 . . . A 15 PRO HD3 . 17902 1 64 . 1 1 15 15 PRO C C 13 176.373 0.100 . 1 . . . A 15 PRO C . 17902 1 65 . 1 1 15 15 PRO CA C 13 63.239 0.045 . 1 . . . A 15 PRO CA . 17902 1 66 . 1 1 15 15 PRO CB C 13 32.142 0.016 . 1 . . . A 15 PRO CB . 17902 1 67 . 1 1 15 15 PRO CG C 13 27.351 0.002 . 1 . . . A 15 PRO CG . 17902 1 68 . 1 1 15 15 PRO CD C 13 50.739 0.004 . 1 . . . A 15 PRO CD . 17902 1 69 . 1 1 16 16 ALA H H 1 8.302 0.005 . 1 . . . A 16 ALA H . 17902 1 70 . 1 1 16 16 ALA HA H 1 4.343 0.006 . 1 . . . A 16 ALA HA . 17902 1 71 . 1 1 16 16 ALA HB1 H 1 1.368 0.007 . 1 . . . A 16 ALA HB1 . 17902 1 72 . 1 1 16 16 ALA HB2 H 1 1.368 0.007 . 1 . . . A 16 ALA HB2 . 17902 1 73 . 1 1 16 16 ALA HB3 H 1 1.368 0.007 . 1 . . . A 16 ALA HB3 . 17902 1 74 . 1 1 16 16 ALA C C 13 177.516 0.100 . 1 . . . A 16 ALA C . 17902 1 75 . 1 1 16 16 ALA CA C 13 52.409 0.048 . 1 . . . A 16 ALA CA . 17902 1 76 . 1 1 16 16 ALA CB C 13 19.302 0.016 . 1 . . . A 16 ALA CB . 17902 1 77 . 1 1 16 16 ALA N N 15 124.265 0.025 . 1 . . . A 16 ALA N . 17902 1 78 . 1 1 17 17 VAL H H 1 8.045 0.007 . 1 . . . A 17 VAL H . 17902 1 79 . 1 1 17 17 VAL HA H 1 4.232 0.010 . 1 . . . A 17 VAL HA . 17902 1 80 . 1 1 17 17 VAL HB H 1 2.150 0.009 . 1 . . . A 17 VAL HB . 17902 1 81 . 1 1 17 17 VAL HG11 H 1 1.025 0.007 . 1 . . . A 17 VAL HG11 . 17902 1 82 . 1 1 17 17 VAL HG12 H 1 1.025 0.007 . 1 . . . A 17 VAL HG12 . 17902 1 83 . 1 1 17 17 VAL HG13 H 1 1.025 0.007 . 1 . . . A 17 VAL HG13 . 17902 1 84 . 1 1 17 17 VAL HG21 H 1 1.006 0.004 . 1 . . . A 17 VAL HG21 . 17902 1 85 . 1 1 17 17 VAL HG22 H 1 1.006 0.004 . 1 . . . A 17 VAL HG22 . 17902 1 86 . 1 1 17 17 VAL HG23 H 1 1.006 0.004 . 1 . . . A 17 VAL HG23 . 17902 1 87 . 1 1 17 17 VAL C C 13 176.267 0.100 . 1 . . . A 17 VAL C . 17902 1 88 . 1 1 17 17 VAL CA C 13 62.242 0.040 . 1 . . . A 17 VAL CA . 17902 1 89 . 1 1 17 17 VAL CB C 13 32.976 0.027 . 1 . . . A 17 VAL CB . 17902 1 90 . 1 1 17 17 VAL CG1 C 13 21.422 0.173 . 1 . . . A 17 VAL CG1 . 17902 1 91 . 1 1 17 17 VAL CG2 C 13 20.806 0.105 . 1 . . . A 17 VAL CG2 . 17902 1 92 . 1 1 17 17 VAL N N 15 119.472 0.031 . 1 . . . A 17 VAL N . 17902 1 93 . 1 1 18 18 THR H H 1 8.266 0.004 . 1 . . . A 18 THR H . 17902 1 94 . 1 1 18 18 THR HA H 1 4.454 0.011 . 1 . . . A 18 THR HA . 17902 1 95 . 1 1 18 18 THR HB H 1 4.258 0.011 . 1 . . . A 18 THR HB . 17902 1 96 . 1 1 18 18 THR HG21 H 1 1.259 0.011 . 1 . . . A 18 THR HG21 . 17902 1 97 . 1 1 18 18 THR HG22 H 1 1.259 0.011 . 1 . . . A 18 THR HG22 . 17902 1 98 . 1 1 18 18 THR HG23 H 1 1.259 0.011 . 1 . . . A 18 THR HG23 . 17902 1 99 . 1 1 18 18 THR C C 13 174.187 0.100 . 1 . . . A 18 THR C . 17902 1 100 . 1 1 18 18 THR CA C 13 61.550 0.097 . 1 . . . A 18 THR CA . 17902 1 101 . 1 1 18 18 THR CB C 13 70.159 0.104 . 1 . . . A 18 THR CB . 17902 1 102 . 1 1 18 18 THR CG2 C 13 21.705 0.076 . 1 . . . A 18 THR CG2 . 17902 1 103 . 1 1 18 18 THR N N 15 117.998 0.032 . 1 . . . A 18 THR N . 17902 1 104 . 1 1 19 19 LEU H H 1 8.060 0.009 . 1 . . . A 19 LEU H . 17902 1 105 . 1 1 19 19 LEU HA H 1 4.261 0.011 . 1 . . . A 19 LEU HA . 17902 1 106 . 1 1 19 19 LEU HB2 H 1 1.359 0.005 . 2 . . . A 19 LEU HB2 . 17902 1 107 . 1 1 19 19 LEU HB3 H 1 0.918 0.010 . 2 . . . A 19 LEU HB3 . 17902 1 108 . 1 1 19 19 LEU HG H 1 1.158 0.005 . 1 . . . A 19 LEU HG . 17902 1 109 . 1 1 19 19 LEU HD11 H 1 -0.158 0.008 . 1 . . . A 19 LEU HD11 . 17902 1 110 . 1 1 19 19 LEU HD12 H 1 -0.158 0.008 . 1 . . . A 19 LEU HD12 . 17902 1 111 . 1 1 19 19 LEU HD13 H 1 -0.158 0.008 . 1 . . . A 19 LEU HD13 . 17902 1 112 . 1 1 19 19 LEU HD21 H 1 -0.044 0.005 . 1 . . . A 19 LEU HD21 . 17902 1 113 . 1 1 19 19 LEU HD22 H 1 -0.044 0.005 . 1 . . . A 19 LEU HD22 . 17902 1 114 . 1 1 19 19 LEU HD23 H 1 -0.044 0.005 . 1 . . . A 19 LEU HD23 . 17902 1 115 . 1 1 19 19 LEU C C 13 175.616 0.100 . 1 . . . A 19 LEU C . 17902 1 116 . 1 1 19 19 LEU CA C 13 55.426 0.070 . 1 . . . A 19 LEU CA . 17902 1 117 . 1 1 19 19 LEU CB C 13 43.375 0.086 . 1 . . . A 19 LEU CB . 17902 1 118 . 1 1 19 19 LEU CG C 13 26.269 0.077 . 1 . . . A 19 LEU CG . 17902 1 119 . 1 1 19 19 LEU CD1 C 13 24.674 0.025 . 1 . . . A 19 LEU CD1 . 17902 1 120 . 1 1 19 19 LEU CD2 C 13 23.517 0.016 . 1 . . . A 19 LEU CD2 . 17902 1 121 . 1 1 19 19 LEU N N 15 125.153 0.020 . 1 . . . A 19 LEU N . 17902 1 122 . 1 1 20 20 SER H H 1 7.266 0.008 . 1 . . . A 20 SER H . 17902 1 123 . 1 1 20 20 SER HA H 1 4.928 0.007 . 1 . . . A 20 SER HA . 17902 1 124 . 1 1 20 20 SER HB2 H 1 3.969 0.008 . 1 . . . A 20 SER HB2 . 17902 1 125 . 1 1 20 20 SER HB3 H 1 3.969 0.008 . 1 . . . A 20 SER HB3 . 17902 1 126 . 1 1 20 20 SER C C 13 174.117 0.100 . 1 . . . A 20 SER C . 17902 1 127 . 1 1 20 20 SER CA C 13 56.526 0.098 . 1 . . . A 20 SER CA . 17902 1 128 . 1 1 20 20 SER CB C 13 65.679 0.039 . 1 . . . A 20 SER CB . 17902 1 129 . 1 1 20 20 SER N N 15 114.457 0.027 . 1 . . . A 20 SER N . 17902 1 130 . 1 1 21 21 ALA H H 1 8.984 0.003 . 1 . . . A 21 ALA H . 17902 1 131 . 1 1 21 21 ALA HA H 1 4.684 0.005 . 1 . . . A 21 ALA HA . 17902 1 132 . 1 1 21 21 ALA HB1 H 1 1.733 0.006 . 1 . . . A 21 ALA HB1 . 17902 1 133 . 1 1 21 21 ALA HB2 H 1 1.733 0.006 . 1 . . . A 21 ALA HB2 . 17902 1 134 . 1 1 21 21 ALA HB3 H 1 1.733 0.006 . 1 . . . A 21 ALA HB3 . 17902 1 135 . 1 1 21 21 ALA C C 13 177.941 0.100 . 1 . . . A 21 ALA C . 17902 1 136 . 1 1 21 21 ALA CA C 13 53.763 0.068 . 1 . . . A 21 ALA CA . 17902 1 137 . 1 1 21 21 ALA CB C 13 19.209 0.011 . 1 . . . A 21 ALA CB . 17902 1 138 . 1 1 21 21 ALA N N 15 125.397 0.037 . 1 . . . A 21 ALA N . 17902 1 139 . 1 1 22 22 GLY H H 1 8.405 0.008 . 1 . . . A 22 GLY H . 17902 1 140 . 1 1 22 22 GLY HA2 H 1 4.203 0.010 . 2 . . . A 22 GLY HA2 . 17902 1 141 . 1 1 22 22 GLY HA3 H 1 3.936 0.011 . 2 . . . A 22 GLY HA3 . 17902 1 142 . 1 1 22 22 GLY C C 13 170.335 0.100 . 1 . . . A 22 GLY C . 17902 1 143 . 1 1 22 22 GLY CA C 13 45.362 0.039 . 1 . . . A 22 GLY CA . 17902 1 144 . 1 1 22 22 GLY N N 15 109.452 0.025 . 1 . . . A 22 GLY N . 17902 1 145 . 1 1 23 23 ASN H H 1 8.086 0.006 . 1 . . . A 23 ASN H . 17902 1 146 . 1 1 23 23 ASN HA H 1 5.847 0.005 . 1 . . . A 23 ASN HA . 17902 1 147 . 1 1 23 23 ASN HB2 H 1 2.665 0.008 . 2 . . . A 23 ASN HB2 . 17902 1 148 . 1 1 23 23 ASN HB3 H 1 2.148 0.008 . 2 . . . A 23 ASN HB3 . 17902 1 149 . 1 1 23 23 ASN HD21 H 1 6.376 0.005 . 2 . . . A 23 ASN HD21 . 17902 1 150 . 1 1 23 23 ASN HD22 H 1 7.188 0.009 . 2 . . . A 23 ASN HD22 . 17902 1 151 . 1 1 23 23 ASN C C 13 175.150 0.100 . 1 . . . A 23 ASN C . 17902 1 152 . 1 1 23 23 ASN CA C 13 51.790 0.053 . 1 . . . A 23 ASN CA . 17902 1 153 . 1 1 23 23 ASN CB C 13 38.741 0.086 . 1 . . . A 23 ASN CB . 17902 1 154 . 1 1 23 23 ASN CG C 13 175.359 0.034 . 1 . . . A 23 ASN CG . 17902 1 155 . 1 1 23 23 ASN N N 15 119.618 0.051 . 1 . . . A 23 ASN N . 17902 1 156 . 1 1 23 23 ASN ND2 N 15 108.769 0.065 . 1 . . . A 23 ASN ND2 . 17902 1 157 . 1 1 24 24 TYR H H 1 9.915 0.006 . 1 . . . A 24 TYR H . 17902 1 158 . 1 1 24 24 TYR HA H 1 5.226 0.004 . 1 . . . A 24 TYR HA . 17902 1 159 . 1 1 24 24 TYR HB2 H 1 2.925 0.008 . 2 . . . A 24 TYR HB2 . 17902 1 160 . 1 1 24 24 TYR HB3 H 1 2.229 0.007 . 2 . . . A 24 TYR HB3 . 17902 1 161 . 1 1 24 24 TYR HD1 H 1 6.810 0.006 . 3 . . . A 24 TYR HD1 . 17902 1 162 . 1 1 24 24 TYR HD2 H 1 6.810 0.006 . 3 . . . A 24 TYR HD2 . 17902 1 163 . 1 1 24 24 TYR HE1 H 1 6.605 0.006 . 3 . . . A 24 TYR HE1 . 17902 1 164 . 1 1 24 24 TYR HE2 H 1 6.605 0.006 . 3 . . . A 24 TYR HE2 . 17902 1 165 . 1 1 24 24 TYR C C 13 175.585 0.100 . 1 . . . A 24 TYR C . 17902 1 166 . 1 1 24 24 TYR CA C 13 58.125 0.049 . 1 . . . A 24 TYR CA . 17902 1 167 . 1 1 24 24 TYR CB C 13 43.818 0.110 . 1 . . . A 24 TYR CB . 17902 1 168 . 1 1 24 24 TYR CD1 C 13 133.910 0.029 . 3 . . . A 24 TYR CD1 . 17902 1 169 . 1 1 24 24 TYR CE1 C 13 117.106 0.032 . 3 . . . A 24 TYR CE1 . 17902 1 170 . 1 1 24 24 TYR N N 15 120.830 0.033 . 1 . . . A 24 TYR N . 17902 1 171 . 1 1 25 25 ILE H H 1 9.211 0.008 . 1 . . . A 25 ILE H . 17902 1 172 . 1 1 25 25 ILE HA H 1 5.042 0.009 . 1 . . . A 25 ILE HA . 17902 1 173 . 1 1 25 25 ILE HB H 1 1.923 0.002 . 1 . . . A 25 ILE HB . 17902 1 174 . 1 1 25 25 ILE HG12 H 1 1.710 0.004 . 2 . . . A 25 ILE HG12 . 17902 1 175 . 1 1 25 25 ILE HG13 H 1 1.333 0.008 . 2 . . . A 25 ILE HG13 . 17902 1 176 . 1 1 25 25 ILE HG21 H 1 1.156 0.004 . 1 . . . A 25 ILE HG21 . 17902 1 177 . 1 1 25 25 ILE HG22 H 1 1.156 0.004 . 1 . . . A 25 ILE HG22 . 17902 1 178 . 1 1 25 25 ILE HG23 H 1 1.156 0.004 . 1 . . . A 25 ILE HG23 . 17902 1 179 . 1 1 25 25 ILE HD11 H 1 0.983 0.004 . 1 . . . A 25 ILE HD11 . 17902 1 180 . 1 1 25 25 ILE HD12 H 1 0.983 0.004 . 1 . . . A 25 ILE HD12 . 17902 1 181 . 1 1 25 25 ILE HD13 H 1 0.983 0.004 . 1 . . . A 25 ILE HD13 . 17902 1 182 . 1 1 25 25 ILE C C 13 175.136 0.100 . 1 . . . A 25 ILE C . 17902 1 183 . 1 1 25 25 ILE CA C 13 60.603 0.068 . 1 . . . A 25 ILE CA . 17902 1 184 . 1 1 25 25 ILE CB C 13 41.194 0.026 . 1 . . . A 25 ILE CB . 17902 1 185 . 1 1 25 25 ILE CG1 C 13 27.182 0.051 . 1 . . . A 25 ILE CG1 . 17902 1 186 . 1 1 25 25 ILE CG2 C 13 17.825 0.072 . 1 . . . A 25 ILE CG2 . 17902 1 187 . 1 1 25 25 ILE CD1 C 13 14.522 0.022 . 1 . . . A 25 ILE CD1 . 17902 1 188 . 1 1 25 25 ILE N N 15 116.462 0.077 . 1 . . . A 25 ILE N . 17902 1 189 . 1 1 26 26 ILE H H 1 9.545 0.009 . 1 . . . A 26 ILE H . 17902 1 190 . 1 1 26 26 ILE HA H 1 4.964 0.007 . 1 . . . A 26 ILE HA . 17902 1 191 . 1 1 26 26 ILE HB H 1 1.383 0.015 . 1 . . . A 26 ILE HB . 17902 1 192 . 1 1 26 26 ILE HG12 H 1 1.347 0.007 . 2 . . . A 26 ILE HG12 . 17902 1 193 . 1 1 26 26 ILE HG13 H 1 0.594 0.006 . 2 . . . A 26 ILE HG13 . 17902 1 194 . 1 1 26 26 ILE HG21 H 1 0.365 0.004 . 1 . . . A 26 ILE HG21 . 17902 1 195 . 1 1 26 26 ILE HG22 H 1 0.365 0.004 . 1 . . . A 26 ILE HG22 . 17902 1 196 . 1 1 26 26 ILE HG23 H 1 0.365 0.004 . 1 . . . A 26 ILE HG23 . 17902 1 197 . 1 1 26 26 ILE HD11 H 1 0.113 0.006 . 1 . . . A 26 ILE HD11 . 17902 1 198 . 1 1 26 26 ILE HD12 H 1 0.113 0.006 . 1 . . . A 26 ILE HD12 . 17902 1 199 . 1 1 26 26 ILE HD13 H 1 0.113 0.006 . 1 . . . A 26 ILE HD13 . 17902 1 200 . 1 1 26 26 ILE C C 13 174.761 0.100 . 1 . . . A 26 ILE C . 17902 1 201 . 1 1 26 26 ILE CA C 13 60.592 0.060 . 1 . . . A 26 ILE CA . 17902 1 202 . 1 1 26 26 ILE CB C 13 41.053 0.031 . 1 . . . A 26 ILE CB . 17902 1 203 . 1 1 26 26 ILE CG1 C 13 26.988 0.131 . 1 . . . A 26 ILE CG1 . 17902 1 204 . 1 1 26 26 ILE CG2 C 13 16.655 0.013 . 1 . . . A 26 ILE CG2 . 17902 1 205 . 1 1 26 26 ILE CD1 C 13 12.287 0.024 . 1 . . . A 26 ILE CD1 . 17902 1 206 . 1 1 26 26 ILE N N 15 124.301 0.088 . 1 . . . A 26 ILE N . 17902 1 207 . 1 1 27 27 TYR H H 1 9.380 0.009 . 1 . . . A 27 TYR H . 17902 1 208 . 1 1 27 27 TYR HA H 1 6.177 0.008 . 1 . . . A 27 TYR HA . 17902 1 209 . 1 1 27 27 TYR HB2 H 1 2.923 0.012 . 2 . . . A 27 TYR HB2 . 17902 1 210 . 1 1 27 27 TYR HB3 H 1 2.541 0.007 . 2 . . . A 27 TYR HB3 . 17902 1 211 . 1 1 27 27 TYR HD1 H 1 6.921 0.005 . 3 . . . A 27 TYR HD1 . 17902 1 212 . 1 1 27 27 TYR HD2 H 1 6.921 0.005 . 3 . . . A 27 TYR HD2 . 17902 1 213 . 1 1 27 27 TYR HE1 H 1 6.588 0.008 . 3 . . . A 27 TYR HE1 . 17902 1 214 . 1 1 27 27 TYR HE2 H 1 6.588 0.008 . 3 . . . A 27 TYR HE2 . 17902 1 215 . 1 1 27 27 TYR C C 13 173.904 0.100 . 1 . . . A 27 TYR C . 17902 1 216 . 1 1 27 27 TYR CA C 13 54.623 0.044 . 1 . . . A 27 TYR CA . 17902 1 217 . 1 1 27 27 TYR CB C 13 41.781 0.091 . 1 . . . A 27 TYR CB . 17902 1 218 . 1 1 27 27 TYR CD1 C 13 134.043 0.058 . 3 . . . A 27 TYR CD1 . 17902 1 219 . 1 1 27 27 TYR CE1 C 13 117.917 0.003 . 3 . . . A 27 TYR CE1 . 17902 1 220 . 1 1 27 27 TYR N N 15 121.435 0.035 . 1 . . . A 27 TYR N . 17902 1 221 . 1 1 28 28 ASN H H 1 8.473 0.008 . 1 . . . A 28 ASN H . 17902 1 222 . 1 1 28 28 ASN HA H 1 3.764 0.006 . 1 . . . A 28 ASN HA . 17902 1 223 . 1 1 28 28 ASN HB2 H 1 2.558 0.010 . 2 . . . A 28 ASN HB2 . 17902 1 224 . 1 1 28 28 ASN HB3 H 1 1.814 0.011 . 2 . . . A 28 ASN HB3 . 17902 1 225 . 1 1 28 28 ASN HD21 H 1 2.644 0.008 . 2 . . . A 28 ASN HD21 . 17902 1 226 . 1 1 28 28 ASN HD22 H 1 6.693 0.007 . 2 . . . A 28 ASN HD22 . 17902 1 227 . 1 1 28 28 ASN C C 13 174.302 0.100 . 1 . . . A 28 ASN C . 17902 1 228 . 1 1 28 28 ASN CA C 13 55.126 0.026 . 1 . . . A 28 ASN CA . 17902 1 229 . 1 1 28 28 ASN CB C 13 41.406 0.089 . 1 . . . A 28 ASN CB . 17902 1 230 . 1 1 28 28 ASN N N 15 122.035 0.039 . 1 . . . A 28 ASN N . 17902 1 231 . 1 1 28 28 ASN ND2 N 15 105.461 0.061 . 1 . . . A 28 ASN ND2 . 17902 1 232 . 1 1 29 29 ARG H H 1 7.757 0.007 . 1 . . . A 29 ARG H . 17902 1 233 . 1 1 29 29 ARG HA H 1 3.844 0.005 . 1 . . . A 29 ARG HA . 17902 1 234 . 1 1 29 29 ARG HB2 H 1 1.811 0.005 . 2 . . . A 29 ARG HB2 . 17902 1 235 . 1 1 29 29 ARG HB3 H 1 1.424 0.006 . 2 . . . A 29 ARG HB3 . 17902 1 236 . 1 1 29 29 ARG HG2 H 1 1.564 0.011 . 2 . . . A 29 ARG HG2 . 17902 1 237 . 1 1 29 29 ARG HG3 H 1 1.442 0.006 . 2 . . . A 29 ARG HG3 . 17902 1 238 . 1 1 29 29 ARG HD2 H 1 3.262 0.010 . 2 . . . A 29 ARG HD2 . 17902 1 239 . 1 1 29 29 ARG HD3 H 1 2.961 0.007 . 2 . . . A 29 ARG HD3 . 17902 1 240 . 1 1 29 29 ARG HE H 1 6.648 0.011 . 1 . . . A 29 ARG HE . 17902 1 241 . 1 1 29 29 ARG C C 13 173.572 0.100 . 1 . . . A 29 ARG C . 17902 1 242 . 1 1 29 29 ARG CA C 13 59.310 0.019 . 1 . . . A 29 ARG CA . 17902 1 243 . 1 1 29 29 ARG CB C 13 30.412 0.029 . 1 . . . A 29 ARG CB . 17902 1 244 . 1 1 29 29 ARG CG C 13 29.276 0.086 . 1 . . . A 29 ARG CG . 17902 1 245 . 1 1 29 29 ARG CD C 13 45.142 0.040 . 1 . . . A 29 ARG CD . 17902 1 246 . 1 1 29 29 ARG CZ C 13 159.681 0.100 . 1 . . . A 29 ARG CZ . 17902 1 247 . 1 1 29 29 ARG N N 15 121.102 0.031 . 1 . . . A 29 ARG N . 17902 1 248 . 1 1 29 29 ARG NE N 15 84.107 0.046 . 1 . . . A 29 ARG NE . 17902 1 249 . 1 1 30 30 VAL H H 1 8.960 0.006 . 1 . . . A 30 VAL H . 17902 1 250 . 1 1 30 30 VAL HA H 1 3.929 0.006 . 1 . . . A 30 VAL HA . 17902 1 251 . 1 1 30 30 VAL HB H 1 1.345 0.007 . 1 . . . A 30 VAL HB . 17902 1 252 . 1 1 30 30 VAL HG11 H 1 0.223 0.009 . 1 . . . A 30 VAL HG11 . 17902 1 253 . 1 1 30 30 VAL HG12 H 1 0.223 0.009 . 1 . . . A 30 VAL HG12 . 17902 1 254 . 1 1 30 30 VAL HG13 H 1 0.223 0.009 . 1 . . . A 30 VAL HG13 . 17902 1 255 . 1 1 30 30 VAL HG21 H 1 0.117 0.005 . 1 . . . A 30 VAL HG21 . 17902 1 256 . 1 1 30 30 VAL HG22 H 1 0.117 0.005 . 1 . . . A 30 VAL HG22 . 17902 1 257 . 1 1 30 30 VAL HG23 H 1 0.117 0.005 . 1 . . . A 30 VAL HG23 . 17902 1 258 . 1 1 30 30 VAL C C 13 176.163 0.100 . 1 . . . A 30 VAL C . 17902 1 259 . 1 1 30 30 VAL CA C 13 62.580 0.043 . 1 . . . A 30 VAL CA . 17902 1 260 . 1 1 30 30 VAL CB C 13 30.309 0.076 . 1 . . . A 30 VAL CB . 17902 1 261 . 1 1 30 30 VAL CG1 C 13 21.394 0.039 . 1 . . . A 30 VAL CG1 . 17902 1 262 . 1 1 30 30 VAL CG2 C 13 22.254 0.018 . 1 . . . A 30 VAL CG2 . 17902 1 263 . 1 1 30 30 VAL N N 15 118.325 0.020 . 1 . . . A 30 VAL N . 17902 1 264 . 1 1 31 31 LEU H H 1 8.840 0.008 . 1 . . . A 31 LEU H . 17902 1 265 . 1 1 31 31 LEU HA H 1 4.467 0.006 . 1 . . . A 31 LEU HA . 17902 1 266 . 1 1 31 31 LEU HB2 H 1 1.869 0.018 . 2 . . . A 31 LEU HB2 . 17902 1 267 . 1 1 31 31 LEU HB3 H 1 1.323 0.008 . 2 . . . A 31 LEU HB3 . 17902 1 268 . 1 1 31 31 LEU HG H 1 1.294 0.007 . 1 . . . A 31 LEU HG . 17902 1 269 . 1 1 31 31 LEU HD11 H 1 0.709 0.011 . 1 . . . A 31 LEU HD11 . 17902 1 270 . 1 1 31 31 LEU HD12 H 1 0.709 0.011 . 1 . . . A 31 LEU HD12 . 17902 1 271 . 1 1 31 31 LEU HD13 H 1 0.709 0.011 . 1 . . . A 31 LEU HD13 . 17902 1 272 . 1 1 31 31 LEU HD21 H 1 1.081 0.010 . 1 . . . A 31 LEU HD21 . 17902 1 273 . 1 1 31 31 LEU HD22 H 1 1.081 0.010 . 1 . . . A 31 LEU HD22 . 17902 1 274 . 1 1 31 31 LEU HD23 H 1 1.081 0.010 . 1 . . . A 31 LEU HD23 . 17902 1 275 . 1 1 31 31 LEU C C 13 179.102 0.100 . 1 . . . A 31 LEU C . 17902 1 276 . 1 1 31 31 LEU CA C 13 54.037 0.135 . 1 . . . A 31 LEU CA . 17902 1 277 . 1 1 31 31 LEU CB C 13 45.624 0.086 . 1 . . . A 31 LEU CB . 17902 1 278 . 1 1 31 31 LEU CG C 13 27.279 0.100 . 1 . . . A 31 LEU CG . 17902 1 279 . 1 1 31 31 LEU CD1 C 13 23.877 0.147 . 1 . . . A 31 LEU CD1 . 17902 1 280 . 1 1 31 31 LEU CD2 C 13 27.087 0.094 . 1 . . . A 31 LEU CD2 . 17902 1 281 . 1 1 31 31 LEU N N 15 125.358 0.041 . 1 . . . A 31 LEU N . 17902 1 282 . 1 1 32 32 SER H H 1 9.279 0.008 . 1 . . . A 32 SER H . 17902 1 283 . 1 1 32 32 SER HA H 1 5.351 0.011 . 1 . . . A 32 SER HA . 17902 1 284 . 1 1 32 32 SER HB2 H 1 3.848 0.006 . 1 . . . A 32 SER HB2 . 17902 1 285 . 1 1 32 32 SER HB3 H 1 3.848 0.006 . 1 . . . A 32 SER HB3 . 17902 1 286 . 1 1 32 32 SER CA C 13 57.278 0.079 . 1 . . . A 32 SER CA . 17902 1 287 . 1 1 32 32 SER CB C 13 62.111 0.049 . 1 . . . A 32 SER CB . 17902 1 288 . 1 1 32 32 SER N N 15 116.871 0.034 . 1 . . . A 32 SER N . 17902 1 289 . 1 1 33 33 PRO HA H 1 3.854 0.007 . 1 . . . A 33 PRO HA . 17902 1 290 . 1 1 33 33 PRO HB2 H 1 1.834 0.005 . 2 . . . A 33 PRO HB2 . 17902 1 291 . 1 1 33 33 PRO HG2 H 1 2.319 0.014 . 2 . . . A 33 PRO HG2 . 17902 1 292 . 1 1 33 33 PRO HG3 H 1 1.761 0.009 . 2 . . . A 33 PRO HG3 . 17902 1 293 . 1 1 33 33 PRO HD2 H 1 4.334 0.009 . 2 . . . A 33 PRO HD2 . 17902 1 294 . 1 1 33 33 PRO HD3 H 1 3.965 0.011 . 2 . . . A 33 PRO HD3 . 17902 1 295 . 1 1 33 33 PRO C C 13 175.113 0.100 . 1 . . . A 33 PRO C . 17902 1 296 . 1 1 33 33 PRO CA C 13 65.280 0.067 . 1 . . . A 33 PRO CA . 17902 1 297 . 1 1 33 33 PRO CB C 13 28.497 0.104 . 1 . . . A 33 PRO CB . 17902 1 298 . 1 1 33 33 PRO CG C 13 28.829 0.076 . 1 . . . A 33 PRO CG . 17902 1 299 . 1 1 33 33 PRO CD C 13 50.087 0.060 . 1 . . . A 33 PRO CD . 17902 1 300 . 1 1 34 34 ARG H H 1 7.229 0.011 . 1 . . . A 34 ARG H . 17902 1 301 . 1 1 34 34 ARG HA H 1 4.466 0.005 . 1 . . . A 34 ARG HA . 17902 1 302 . 1 1 34 34 ARG HB2 H 1 1.985 0.008 . 2 . . . A 34 ARG HB2 . 17902 1 303 . 1 1 34 34 ARG HB3 H 1 1.546 0.005 . 2 . . . A 34 ARG HB3 . 17902 1 304 . 1 1 34 34 ARG HG2 H 1 1.579 0.007 . 1 . . . A 34 ARG HG2 . 17902 1 305 . 1 1 34 34 ARG HG3 H 1 1.579 0.007 . 1 . . . A 34 ARG HG3 . 17902 1 306 . 1 1 34 34 ARG HD2 H 1 3.180 0.006 . 1 . . . A 34 ARG HD2 . 17902 1 307 . 1 1 34 34 ARG HD3 H 1 3.180 0.006 . 1 . . . A 34 ARG HD3 . 17902 1 308 . 1 1 34 34 ARG HE H 1 7.177 0.008 . 1 . . . A 34 ARG HE . 17902 1 309 . 1 1 34 34 ARG C C 13 176.792 0.100 . 1 . . . A 34 ARG C . 17902 1 310 . 1 1 34 34 ARG CA C 13 54.474 0.048 . 1 . . . A 34 ARG CA . 17902 1 311 . 1 1 34 34 ARG CB C 13 30.594 0.032 . 1 . . . A 34 ARG CB . 17902 1 312 . 1 1 34 34 ARG CG C 13 27.422 0.018 . 1 . . . A 34 ARG CG . 17902 1 313 . 1 1 34 34 ARG CD C 13 43.326 0.009 . 1 . . . A 34 ARG CD . 17902 1 314 . 1 1 34 34 ARG CZ C 13 159.675 0.100 . 1 . . . A 34 ARG CZ . 17902 1 315 . 1 1 34 34 ARG N N 15 110.154 0.032 . 1 . . . A 34 ARG N . 17902 1 316 . 1 1 34 34 ARG NE N 15 84.506 0.027 . 1 . . . A 34 ARG NE . 17902 1 317 . 1 1 35 35 GLY H H 1 8.564 0.010 . 1 . . . A 35 GLY H . 17902 1 318 . 1 1 35 35 GLY HA2 H 1 4.715 0.017 . 2 . . . A 35 GLY HA2 . 17902 1 319 . 1 1 35 35 GLY HA3 H 1 3.593 0.006 . 2 . . . A 35 GLY HA3 . 17902 1 320 . 1 1 35 35 GLY C C 13 173.280 0.100 . 1 . . . A 35 GLY C . 17902 1 321 . 1 1 35 35 GLY CA C 13 46.991 0.045 . 1 . . . A 35 GLY CA . 17902 1 322 . 1 1 35 35 GLY N N 15 110.075 0.023 . 1 . . . A 35 GLY N . 17902 1 323 . 1 1 36 36 GLU H H 1 7.744 0.010 . 1 . . . A 36 GLU H . 17902 1 324 . 1 1 36 36 GLU HA H 1 4.340 0.006 . 1 . . . A 36 GLU HA . 17902 1 325 . 1 1 36 36 GLU HB2 H 1 1.903 0.010 . 1 . . . A 36 GLU HB2 . 17902 1 326 . 1 1 36 36 GLU HB3 H 1 1.903 0.010 . 1 . . . A 36 GLU HB3 . 17902 1 327 . 1 1 36 36 GLU HG2 H 1 2.201 0.010 . 2 . . . A 36 GLU HG2 . 17902 1 328 . 1 1 36 36 GLU HG3 H 1 1.909 0.009 . 2 . . . A 36 GLU HG3 . 17902 1 329 . 1 1 36 36 GLU C C 13 176.837 0.100 . 1 . . . A 36 GLU C . 17902 1 330 . 1 1 36 36 GLU CA C 13 54.943 0.080 . 1 . . . A 36 GLU CA . 17902 1 331 . 1 1 36 36 GLU CB C 13 30.163 0.072 . 1 . . . A 36 GLU CB . 17902 1 332 . 1 1 36 36 GLU CG C 13 35.423 0.058 . 1 . . . A 36 GLU CG . 17902 1 333 . 1 1 36 36 GLU N N 15 116.756 0.049 . 1 . . . A 36 GLU N . 17902 1 334 . 1 1 37 37 LYS H H 1 8.646 0.009 . 1 . . . A 37 LYS H . 17902 1 335 . 1 1 37 37 LYS HA H 1 4.401 0.016 . 1 . . . A 37 LYS HA . 17902 1 336 . 1 1 37 37 LYS HB2 H 1 1.471 0.007 . 2 . . . A 37 LYS HB2 . 17902 1 337 . 1 1 37 37 LYS HB3 H 1 0.803 0.007 . 2 . . . A 37 LYS HB3 . 17902 1 338 . 1 1 37 37 LYS HG2 H 1 0.920 0.011 . 2 . . . A 37 LYS HG2 . 17902 1 339 . 1 1 37 37 LYS HG3 H 1 0.683 0.012 . 2 . . . A 37 LYS HG3 . 17902 1 340 . 1 1 37 37 LYS HD2 H 1 1.284 0.007 . 2 . . . A 37 LYS HD2 . 17902 1 341 . 1 1 37 37 LYS HD3 H 1 0.347 0.014 . 2 . . . A 37 LYS HD3 . 17902 1 342 . 1 1 37 37 LYS HE2 H 1 2.863 0.008 . 2 . . . A 37 LYS HE2 . 17902 1 343 . 1 1 37 37 LYS HE3 H 1 2.766 0.012 . 2 . . . A 37 LYS HE3 . 17902 1 344 . 1 1 37 37 LYS C C 13 176.061 0.100 . 1 . . . A 37 LYS C . 17902 1 345 . 1 1 37 37 LYS CA C 13 56.873 0.216 . 1 . . . A 37 LYS CA . 17902 1 346 . 1 1 37 37 LYS CB C 13 33.647 0.104 . 1 . . . A 37 LYS CB . 17902 1 347 . 1 1 37 37 LYS CG C 13 27.443 0.043 . 1 . . . A 37 LYS CG . 17902 1 348 . 1 1 37 37 LYS CD C 13 29.610 0.020 . 1 . . . A 37 LYS CD . 17902 1 349 . 1 1 37 37 LYS CE C 13 42.465 0.033 . 1 . . . A 37 LYS CE . 17902 1 350 . 1 1 37 37 LYS N N 15 123.737 0.026 . 1 . . . A 37 LYS N . 17902 1 351 . 1 1 38 38 LEU H H 1 10.448 0.012 . 1 . . . A 38 LEU H . 17902 1 352 . 1 1 38 38 LEU HA H 1 4.226 0.007 . 1 . . . A 38 LEU HA . 17902 1 353 . 1 1 38 38 LEU HB2 H 1 1.780 0.010 . 2 . . . A 38 LEU HB2 . 17902 1 354 . 1 1 38 38 LEU HB3 H 1 0.799 0.007 . 2 . . . A 38 LEU HB3 . 17902 1 355 . 1 1 38 38 LEU HG H 1 1.720 0.003 . 1 . . . A 38 LEU HG . 17902 1 356 . 1 1 38 38 LEU HD11 H 1 0.365 0.005 . 1 . . . A 38 LEU HD11 . 17902 1 357 . 1 1 38 38 LEU HD12 H 1 0.365 0.005 . 1 . . . A 38 LEU HD12 . 17902 1 358 . 1 1 38 38 LEU HD13 H 1 0.365 0.005 . 1 . . . A 38 LEU HD13 . 17902 1 359 . 1 1 38 38 LEU HD21 H 1 0.397 0.007 . 1 . . . A 38 LEU HD21 . 17902 1 360 . 1 1 38 38 LEU HD22 H 1 0.397 0.007 . 1 . . . A 38 LEU HD22 . 17902 1 361 . 1 1 38 38 LEU HD23 H 1 0.397 0.007 . 1 . . . A 38 LEU HD23 . 17902 1 362 . 1 1 38 38 LEU C C 13 174.352 0.100 . 1 . . . A 38 LEU C . 17902 1 363 . 1 1 38 38 LEU CA C 13 53.322 0.044 . 1 . . . A 38 LEU CA . 17902 1 364 . 1 1 38 38 LEU CB C 13 41.666 0.149 . 1 . . . A 38 LEU CB . 17902 1 365 . 1 1 38 38 LEU CG C 13 24.848 0.124 . 1 . . . A 38 LEU CG . 17902 1 366 . 1 1 38 38 LEU CD1 C 13 22.005 0.096 . 1 . . . A 38 LEU CD1 . 17902 1 367 . 1 1 38 38 LEU CD2 C 13 25.164 0.037 . 1 . . . A 38 LEU CD2 . 17902 1 368 . 1 1 38 38 LEU N N 15 126.529 0.054 . 1 . . . A 38 LEU N . 17902 1 369 . 1 1 39 39 ALA H H 1 8.758 0.008 . 1 . . . A 39 ALA H . 17902 1 370 . 1 1 39 39 ALA HA H 1 5.227 0.008 . 1 . . . A 39 ALA HA . 17902 1 371 . 1 1 39 39 ALA HB1 H 1 1.541 0.006 . 1 . . . A 39 ALA HB1 . 17902 1 372 . 1 1 39 39 ALA HB2 H 1 1.541 0.006 . 1 . . . A 39 ALA HB2 . 17902 1 373 . 1 1 39 39 ALA HB3 H 1 1.541 0.006 . 1 . . . A 39 ALA HB3 . 17902 1 374 . 1 1 39 39 ALA C C 13 178.749 0.100 . 1 . . . A 39 ALA C . 17902 1 375 . 1 1 39 39 ALA CA C 13 50.226 0.067 . 1 . . . A 39 ALA CA . 17902 1 376 . 1 1 39 39 ALA CB C 13 21.509 0.042 . 1 . . . A 39 ALA CB . 17902 1 377 . 1 1 39 39 ALA N N 15 126.895 0.026 . 1 . . . A 39 ALA N . 17902 1 378 . 1 1 40 40 LEU H H 1 9.642 0.007 . 1 . . . A 40 LEU H . 17902 1 379 . 1 1 40 40 LEU HA H 1 4.337 0.006 . 1 . . . A 40 LEU HA . 17902 1 380 . 1 1 40 40 LEU HB2 H 1 1.780 0.008 . 2 . . . A 40 LEU HB2 . 17902 1 381 . 1 1 40 40 LEU HB3 H 1 1.244 0.008 . 2 . . . A 40 LEU HB3 . 17902 1 382 . 1 1 40 40 LEU HG H 1 1.164 0.004 . 1 . . . A 40 LEU HG . 17902 1 383 . 1 1 40 40 LEU HD11 H 1 0.266 0.006 . 1 . . . A 40 LEU HD11 . 17902 1 384 . 1 1 40 40 LEU HD12 H 1 0.266 0.006 . 1 . . . A 40 LEU HD12 . 17902 1 385 . 1 1 40 40 LEU HD13 H 1 0.266 0.006 . 1 . . . A 40 LEU HD13 . 17902 1 386 . 1 1 40 40 LEU HD21 H 1 -0.371 0.005 . 1 . . . A 40 LEU HD21 . 17902 1 387 . 1 1 40 40 LEU HD22 H 1 -0.371 0.005 . 1 . . . A 40 LEU HD22 . 17902 1 388 . 1 1 40 40 LEU HD23 H 1 -0.371 0.005 . 1 . . . A 40 LEU HD23 . 17902 1 389 . 1 1 40 40 LEU C C 13 178.329 0.100 . 1 . . . A 40 LEU C . 17902 1 390 . 1 1 40 40 LEU CA C 13 56.886 0.049 . 1 . . . A 40 LEU CA . 17902 1 391 . 1 1 40 40 LEU CB C 13 43.309 0.056 . 1 . . . A 40 LEU CB . 17902 1 392 . 1 1 40 40 LEU CG C 13 26.459 0.110 . 1 . . . A 40 LEU CG . 17902 1 393 . 1 1 40 40 LEU CD1 C 13 25.803 0.012 . 1 . . . A 40 LEU CD1 . 17902 1 394 . 1 1 40 40 LEU CD2 C 13 24.375 0.063 . 1 . . . A 40 LEU CD2 . 17902 1 395 . 1 1 40 40 LEU N N 15 126.597 0.055 . 1 . . . A 40 LEU N . 17902 1 396 . 1 1 41 41 THR H H 1 9.790 0.006 . 1 . . . A 41 THR H . 17902 1 397 . 1 1 41 41 THR HA H 1 4.914 0.007 . 1 . . . A 41 THR HA . 17902 1 398 . 1 1 41 41 THR HB H 1 3.980 0.009 . 1 . . . A 41 THR HB . 17902 1 399 . 1 1 41 41 THR HG21 H 1 0.976 0.010 . 1 . . . A 41 THR HG21 . 17902 1 400 . 1 1 41 41 THR HG22 H 1 0.976 0.010 . 1 . . . A 41 THR HG22 . 17902 1 401 . 1 1 41 41 THR HG23 H 1 0.976 0.010 . 1 . . . A 41 THR HG23 . 17902 1 402 . 1 1 41 41 THR C C 13 172.464 0.100 . 1 . . . A 41 THR C . 17902 1 403 . 1 1 41 41 THR CA C 13 63.267 0.040 . 1 . . . A 41 THR CA . 17902 1 404 . 1 1 41 41 THR CB C 13 71.866 0.088 . 1 . . . A 41 THR CB . 17902 1 405 . 1 1 41 41 THR CG2 C 13 20.279 0.020 . 1 . . . A 41 THR CG2 . 17902 1 406 . 1 1 41 41 THR N N 15 126.452 0.042 . 1 . . . A 41 THR N . 17902 1 407 . 1 1 42 42 TYR H H 1 9.413 0.008 . 1 . . . A 42 TYR H . 17902 1 408 . 1 1 42 42 TYR HA H 1 5.083 0.005 . 1 . . . A 42 TYR HA . 17902 1 409 . 1 1 42 42 TYR HB2 H 1 2.992 0.014 . 2 . . . A 42 TYR HB2 . 17902 1 410 . 1 1 42 42 TYR HB3 H 1 2.656 0.011 . 2 . . . A 42 TYR HB3 . 17902 1 411 . 1 1 42 42 TYR HD1 H 1 7.169 0.008 . 3 . . . A 42 TYR HD1 . 17902 1 412 . 1 1 42 42 TYR HD2 H 1 7.169 0.008 . 3 . . . A 42 TYR HD2 . 17902 1 413 . 1 1 42 42 TYR HE1 H 1 6.671 0.010 . 3 . . . A 42 TYR HE1 . 17902 1 414 . 1 1 42 42 TYR HE2 H 1 6.671 0.010 . 3 . . . A 42 TYR HE2 . 17902 1 415 . 1 1 42 42 TYR CA C 13 53.910 0.083 . 1 . . . A 42 TYR CA . 17902 1 416 . 1 1 42 42 TYR CB C 13 39.107 0.097 . 1 . . . A 42 TYR CB . 17902 1 417 . 1 1 42 42 TYR CD2 C 13 132.576 0.019 . 3 . . . A 42 TYR CD2 . 17902 1 418 . 1 1 42 42 TYR CE2 C 13 118.238 0.016 . 3 . . . A 42 TYR CE2 . 17902 1 419 . 1 1 42 42 TYR N N 15 130.518 0.039 . 1 . . . A 42 TYR N . 17902 1 420 . 1 1 43 43 PRO HA H 1 4.461 0.003 . 1 . . . A 43 PRO HA . 17902 1 421 . 1 1 43 43 PRO HB2 H 1 2.448 0.005 . 2 . . . A 43 PRO HB2 . 17902 1 422 . 1 1 43 43 PRO HB3 H 1 1.799 0.007 . 2 . . . A 43 PRO HB3 . 17902 1 423 . 1 1 43 43 PRO HG2 H 1 2.147 0.003 . 2 . . . A 43 PRO HG2 . 17902 1 424 . 1 1 43 43 PRO HG3 H 1 1.759 0.011 . 2 . . . A 43 PRO HG3 . 17902 1 425 . 1 1 43 43 PRO HD2 H 1 4.412 0.008 . 2 . . . A 43 PRO HD2 . 17902 1 426 . 1 1 43 43 PRO HD3 H 1 3.843 0.007 . 2 . . . A 43 PRO HD3 . 17902 1 427 . 1 1 43 43 PRO CA C 13 63.438 0.059 . 1 . . . A 43 PRO CA . 17902 1 428 . 1 1 43 43 PRO CB C 13 32.675 0.017 . 1 . . . A 43 PRO CB . 17902 1 429 . 1 1 43 43 PRO CG C 13 27.437 0.052 . 1 . . . A 43 PRO CG . 17902 1 430 . 1 1 43 43 PRO CD C 13 52.360 0.026 . 1 . . . A 43 PRO CD . 17902 1 431 . 1 1 44 44 GLY HA2 H 1 4.032 0.006 . 2 . . . A 44 GLY HA2 . 17902 1 432 . 1 1 44 44 GLY HA3 H 1 3.096 0.005 . 2 . . . A 44 GLY HA3 . 17902 1 433 . 1 1 44 44 GLY C C 13 171.689 0.100 . 1 . . . A 44 GLY C . 17902 1 434 . 1 1 44 44 GLY CA C 13 45.669 0.071 . 1 . . . A 44 GLY CA . 17902 1 435 . 1 1 45 45 ARG H H 1 6.426 0.007 . 1 . . . A 45 ARG H . 17902 1 436 . 1 1 45 45 ARG HA H 1 4.557 0.004 . 1 . . . A 45 ARG HA . 17902 1 437 . 1 1 45 45 ARG HB2 H 1 1.919 0.007 . 2 . . . A 45 ARG HB2 . 17902 1 438 . 1 1 45 45 ARG HB3 H 1 1.616 0.006 . 2 . . . A 45 ARG HB3 . 17902 1 439 . 1 1 45 45 ARG HG2 H 1 1.455 0.004 . 2 . . . A 45 ARG HG2 . 17902 1 440 . 1 1 45 45 ARG HG3 H 1 1.430 0.003 . 2 . . . A 45 ARG HG3 . 17902 1 441 . 1 1 45 45 ARG HD2 H 1 3.125 0.006 . 1 . . . A 45 ARG HD2 . 17902 1 442 . 1 1 45 45 ARG HD3 H 1 3.125 0.006 . 1 . . . A 45 ARG HD3 . 17902 1 443 . 1 1 45 45 ARG HE H 1 7.008 0.008 . 1 . . . A 45 ARG HE . 17902 1 444 . 1 1 45 45 ARG C C 13 175.167 0.100 . 1 . . . A 45 ARG C . 17902 1 445 . 1 1 45 45 ARG CA C 13 54.144 0.044 . 1 . . . A 45 ARG CA . 17902 1 446 . 1 1 45 45 ARG CB C 13 33.350 0.050 . 1 . . . A 45 ARG CB . 17902 1 447 . 1 1 45 45 ARG CG C 13 25.697 0.017 . 1 . . . A 45 ARG CG . 17902 1 448 . 1 1 45 45 ARG CD C 13 43.582 0.009 . 1 . . . A 45 ARG CD . 17902 1 449 . 1 1 45 45 ARG CZ C 13 159.604 0.100 . 1 . . . A 45 ARG CZ . 17902 1 450 . 1 1 45 45 ARG N N 15 113.951 0.032 . 1 . . . A 45 ARG N . 17902 1 451 . 1 1 45 45 ARG NE N 15 84.952 0.025 . 1 . . . A 45 ARG NE . 17902 1 452 . 1 1 46 46 GLN H H 1 8.684 0.007 . 1 . . . A 46 GLN H . 17902 1 453 . 1 1 46 46 GLN HA H 1 4.423 0.006 . 1 . . . A 46 GLN HA . 17902 1 454 . 1 1 46 46 GLN HB2 H 1 2.061 0.010 . 2 . . . A 46 GLN HB2 . 17902 1 455 . 1 1 46 46 GLN HB3 H 1 2.391 0.007 . 2 . . . A 46 GLN HB3 . 17902 1 456 . 1 1 46 46 GLN HG2 H 1 2.620 0.006 . 2 . . . A 46 GLN HG2 . 17902 1 457 . 1 1 46 46 GLN HG3 H 1 2.167 0.008 . 2 . . . A 46 GLN HG3 . 17902 1 458 . 1 1 46 46 GLN HE21 H 1 6.669 0.005 . 2 . . . A 46 GLN HE21 . 17902 1 459 . 1 1 46 46 GLN HE22 H 1 7.091 0.005 . 2 . . . A 46 GLN HE22 . 17902 1 460 . 1 1 46 46 GLN C C 13 177.310 0.100 . 1 . . . A 46 GLN C . 17902 1 461 . 1 1 46 46 GLN CA C 13 56.636 0.021 . 1 . . . A 46 GLN CA . 17902 1 462 . 1 1 46 46 GLN CB C 13 30.478 0.053 . 1 . . . A 46 GLN CB . 17902 1 463 . 1 1 46 46 GLN CG C 13 34.984 0.073 . 1 . . . A 46 GLN CG . 17902 1 464 . 1 1 46 46 GLN CD C 13 179.014 0.100 . 1 . . . A 46 GLN CD . 17902 1 465 . 1 1 46 46 GLN N N 15 119.093 0.035 . 1 . . . A 46 GLN N . 17902 1 466 . 1 1 46 46 GLN NE2 N 15 108.346 0.051 . 1 . . . A 46 GLN NE2 . 17902 1 467 . 1 1 47 47 ARG H H 1 9.748 0.006 . 1 . . . A 47 ARG H . 17902 1 468 . 1 1 47 47 ARG HA H 1 3.511 0.010 . 1 . . . A 47 ARG HA . 17902 1 469 . 1 1 47 47 ARG HB2 H 1 2.125 0.011 . 2 . . . A 47 ARG HB2 . 17902 1 470 . 1 1 47 47 ARG HB3 H 1 2.039 0.011 . 2 . . . A 47 ARG HB3 . 17902 1 471 . 1 1 47 47 ARG HG2 H 1 1.626 0.009 . 2 . . . A 47 ARG HG2 . 17902 1 472 . 1 1 47 47 ARG HG3 H 1 1.583 0.007 . 2 . . . A 47 ARG HG3 . 17902 1 473 . 1 1 47 47 ARG HD2 H 1 3.310 0.006 . 2 . . . A 47 ARG HD2 . 17902 1 474 . 1 1 47 47 ARG HD3 H 1 3.225 0.006 . 2 . . . A 47 ARG HD3 . 17902 1 475 . 1 1 47 47 ARG HE H 1 7.421 0.004 . 1 . . . A 47 ARG HE . 17902 1 476 . 1 1 47 47 ARG C C 13 174.095 0.100 . 1 . . . A 47 ARG C . 17902 1 477 . 1 1 47 47 ARG CA C 13 58.815 0.048 . 1 . . . A 47 ARG CA . 17902 1 478 . 1 1 47 47 ARG CB C 13 27.785 0.036 . 1 . . . A 47 ARG CB . 17902 1 479 . 1 1 47 47 ARG CG C 13 29.408 0.043 . 1 . . . A 47 ARG CG . 17902 1 480 . 1 1 47 47 ARG CD C 13 43.398 0.015 . 1 . . . A 47 ARG CD . 17902 1 481 . 1 1 47 47 ARG CZ C 13 159.645 0.100 . 1 . . . A 47 ARG CZ . 17902 1 482 . 1 1 47 47 ARG N N 15 113.762 0.034 . 1 . . . A 47 ARG N . 17902 1 483 . 1 1 47 47 ARG NE N 15 85.162 0.025 . 1 . . . A 47 ARG NE . 17902 1 484 . 1 1 48 48 THR H H 1 8.141 0.010 . 1 . . . A 48 THR H . 17902 1 485 . 1 1 48 48 THR HA H 1 4.906 0.008 . 1 . . . A 48 THR HA . 17902 1 486 . 1 1 48 48 THR HB H 1 3.627 0.009 . 1 . . . A 48 THR HB . 17902 1 487 . 1 1 48 48 THR HG21 H 1 1.189 0.006 . 1 . . . A 48 THR HG21 . 17902 1 488 . 1 1 48 48 THR HG22 H 1 1.189 0.006 . 1 . . . A 48 THR HG22 . 17902 1 489 . 1 1 48 48 THR HG23 H 1 1.189 0.006 . 1 . . . A 48 THR HG23 . 17902 1 490 . 1 1 48 48 THR CA C 13 60.152 0.068 . 1 . . . A 48 THR CA . 17902 1 491 . 1 1 48 48 THR CB C 13 72.019 0.046 . 1 . . . A 48 THR CB . 17902 1 492 . 1 1 48 48 THR CG2 C 13 20.706 0.052 . 1 . . . A 48 THR CG2 . 17902 1 493 . 1 1 48 48 THR N N 15 114.684 0.031 . 1 . . . A 48 THR N . 17902 1 494 . 1 1 49 49 PRO HA H 1 4.342 0.005 . 1 . . . A 49 PRO HA . 17902 1 495 . 1 1 49 49 PRO HB2 H 1 2.041 0.006 . 2 . . . A 49 PRO HB2 . 17902 1 496 . 1 1 49 49 PRO HB3 H 1 1.759 0.005 . 2 . . . A 49 PRO HB3 . 17902 1 497 . 1 1 49 49 PRO HG2 H 1 2.114 0.013 . 2 . . . A 49 PRO HG2 . 17902 1 498 . 1 1 49 49 PRO HG3 H 1 1.817 0.012 . 2 . . . A 49 PRO HG3 . 17902 1 499 . 1 1 49 49 PRO HD2 H 1 3.977 0.011 . 2 . . . A 49 PRO HD2 . 17902 1 500 . 1 1 49 49 PRO HD3 H 1 3.666 0.007 . 2 . . . A 49 PRO HD3 . 17902 1 501 . 1 1 49 49 PRO C C 13 175.445 0.100 . 1 . . . A 49 PRO C . 17902 1 502 . 1 1 49 49 PRO CA C 13 64.097 0.074 . 1 . . . A 49 PRO CA . 17902 1 503 . 1 1 49 49 PRO CB C 13 32.827 0.016 . 1 . . . A 49 PRO CB . 17902 1 504 . 1 1 49 49 PRO CG C 13 27.925 0.149 . 1 . . . A 49 PRO CG . 17902 1 505 . 1 1 49 49 PRO CD C 13 51.839 0.050 . 1 . . . A 49 PRO CD . 17902 1 506 . 1 1 50 50 VAL H H 1 8.185 0.009 . 1 . . . A 50 VAL H . 17902 1 507 . 1 1 50 50 VAL HA H 1 3.916 0.007 . 1 . . . A 50 VAL HA . 17902 1 508 . 1 1 50 50 VAL HB H 1 1.611 0.006 . 1 . . . A 50 VAL HB . 17902 1 509 . 1 1 50 50 VAL HG11 H 1 0.952 0.004 . 1 . . . A 50 VAL HG11 . 17902 1 510 . 1 1 50 50 VAL HG12 H 1 0.952 0.004 . 1 . . . A 50 VAL HG12 . 17902 1 511 . 1 1 50 50 VAL HG13 H 1 0.952 0.004 . 1 . . . A 50 VAL HG13 . 17902 1 512 . 1 1 50 50 VAL HG21 H 1 0.906 0.002 . 1 . . . A 50 VAL HG21 . 17902 1 513 . 1 1 50 50 VAL HG22 H 1 0.906 0.002 . 1 . . . A 50 VAL HG22 . 17902 1 514 . 1 1 50 50 VAL HG23 H 1 0.906 0.002 . 1 . . . A 50 VAL HG23 . 17902 1 515 . 1 1 50 50 VAL C C 13 174.498 0.100 . 1 . . . A 50 VAL C . 17902 1 516 . 1 1 50 50 VAL CA C 13 64.022 0.056 . 1 . . . A 50 VAL CA . 17902 1 517 . 1 1 50 50 VAL CB C 13 32.277 0.067 . 1 . . . A 50 VAL CB . 17902 1 518 . 1 1 50 50 VAL CG1 C 13 22.040 0.033 . 1 . . . A 50 VAL CG1 . 17902 1 519 . 1 1 50 50 VAL CG2 C 13 22.253 0.025 . 1 . . . A 50 VAL CG2 . 17902 1 520 . 1 1 50 50 VAL N N 15 123.235 0.024 . 1 . . . A 50 VAL N . 17902 1 521 . 1 1 51 51 THR H H 1 7.049 0.008 . 1 . . . A 51 THR H . 17902 1 522 . 1 1 51 51 THR HA H 1 5.340 0.006 . 1 . . . A 51 THR HA . 17902 1 523 . 1 1 51 51 THR HB H 1 3.966 0.007 . 1 . . . A 51 THR HB . 17902 1 524 . 1 1 51 51 THR HG21 H 1 1.027 0.003 . 1 . . . A 51 THR HG21 . 17902 1 525 . 1 1 51 51 THR HG22 H 1 1.027 0.003 . 1 . . . A 51 THR HG22 . 17902 1 526 . 1 1 51 51 THR HG23 H 1 1.027 0.003 . 1 . . . A 51 THR HG23 . 17902 1 527 . 1 1 51 51 THR C C 13 174.791 0.100 . 1 . . . A 51 THR C . 17902 1 528 . 1 1 51 51 THR CA C 13 59.203 0.040 . 1 . . . A 51 THR CA . 17902 1 529 . 1 1 51 51 THR CB C 13 72.699 0.040 . 1 . . . A 51 THR CB . 17902 1 530 . 1 1 51 51 THR CG2 C 13 21.937 0.004 . 1 . . . A 51 THR CG2 . 17902 1 531 . 1 1 51 51 THR N N 15 113.767 0.036 . 1 . . . A 51 THR N . 17902 1 532 . 1 1 52 52 VAL H H 1 8.051 0.007 . 1 . . . A 52 VAL H . 17902 1 533 . 1 1 52 52 VAL HA H 1 5.502 0.003 . 1 . . . A 52 VAL HA . 17902 1 534 . 1 1 52 52 VAL HB H 1 1.798 0.006 . 1 . . . A 52 VAL HB . 17902 1 535 . 1 1 52 52 VAL HG11 H 1 1.092 0.006 . 1 . . . A 52 VAL HG11 . 17902 1 536 . 1 1 52 52 VAL HG12 H 1 1.092 0.006 . 1 . . . A 52 VAL HG12 . 17902 1 537 . 1 1 52 52 VAL HG13 H 1 1.092 0.006 . 1 . . . A 52 VAL HG13 . 17902 1 538 . 1 1 52 52 VAL HG21 H 1 0.988 0.005 . 1 . . . A 52 VAL HG21 . 17902 1 539 . 1 1 52 52 VAL HG22 H 1 0.988 0.005 . 1 . . . A 52 VAL HG22 . 17902 1 540 . 1 1 52 52 VAL HG23 H 1 0.988 0.005 . 1 . . . A 52 VAL HG23 . 17902 1 541 . 1 1 52 52 VAL C C 13 175.630 0.100 . 1 . . . A 52 VAL C . 17902 1 542 . 1 1 52 52 VAL CA C 13 58.533 0.129 . 1 . . . A 52 VAL CA . 17902 1 543 . 1 1 52 52 VAL CB C 13 34.843 0.031 . 1 . . . A 52 VAL CB . 17902 1 544 . 1 1 52 52 VAL CG1 C 13 19.443 0.014 . 1 . . . A 52 VAL CG1 . 17902 1 545 . 1 1 52 52 VAL CG2 C 13 22.085 0.003 . 1 . . . A 52 VAL CG2 . 17902 1 546 . 1 1 52 52 VAL N N 15 107.297 0.027 . 1 . . . A 52 VAL N . 17902 1 547 . 1 1 53 53 SER H H 1 8.648 0.009 . 1 . . . A 53 SER H . 17902 1 548 . 1 1 53 53 SER CB C 13 64.703 0.100 . 1 . . . A 53 SER CB . 17902 1 549 . 1 1 53 53 SER N N 15 114.419 0.037 . 1 . . . A 53 SER N . 17902 1 550 . 1 1 54 54 PRO HA H 1 4.757 0.004 . 1 . . . A 54 PRO HA . 17902 1 551 . 1 1 54 54 PRO HB2 H 1 2.130 0.009 . 2 . . . A 54 PRO HB2 . 17902 1 552 . 1 1 54 54 PRO HB3 H 1 1.818 0.009 . 2 . . . A 54 PRO HB3 . 17902 1 553 . 1 1 54 54 PRO HG2 H 1 2.152 0.004 . 2 . . . A 54 PRO HG2 . 17902 1 554 . 1 1 54 54 PRO HG3 H 1 1.504 0.008 . 2 . . . A 54 PRO HG3 . 17902 1 555 . 1 1 54 54 PRO HD2 H 1 3.674 0.005 . 2 . . . A 54 PRO HD2 . 17902 1 556 . 1 1 54 54 PRO HD3 H 1 3.462 0.007 . 2 . . . A 54 PRO HD3 . 17902 1 557 . 1 1 54 54 PRO C C 13 177.708 0.100 . 1 . . . A 54 PRO C . 17902 1 558 . 1 1 54 54 PRO CA C 13 63.398 0.081 . 1 . . . A 54 PRO CA . 17902 1 559 . 1 1 54 54 PRO CB C 13 31.916 0.005 . 1 . . . A 54 PRO CB . 17902 1 560 . 1 1 54 54 PRO CG C 13 28.260 0.034 . 1 . . . A 54 PRO CG . 17902 1 561 . 1 1 54 54 PRO CD C 13 51.083 0.005 . 1 . . . A 54 PRO CD . 17902 1 562 . 1 1 55 55 LEU H H 1 8.680 0.008 . 1 . . . A 55 LEU H . 17902 1 563 . 1 1 55 55 LEU HA H 1 4.486 0.006 . 1 . . . A 55 LEU HA . 17902 1 564 . 1 1 55 55 LEU HB2 H 1 1.672 0.007 . 2 . . . A 55 LEU HB2 . 17902 1 565 . 1 1 55 55 LEU HB3 H 1 1.147 0.004 . 2 . . . A 55 LEU HB3 . 17902 1 566 . 1 1 55 55 LEU HG H 1 1.495 0.010 . 1 . . . A 55 LEU HG . 17902 1 567 . 1 1 55 55 LEU HD11 H 1 0.799 0.005 . 1 . . . A 55 LEU HD11 . 17902 1 568 . 1 1 55 55 LEU HD12 H 1 0.799 0.005 . 1 . . . A 55 LEU HD12 . 17902 1 569 . 1 1 55 55 LEU HD13 H 1 0.799 0.005 . 1 . . . A 55 LEU HD13 . 17902 1 570 . 1 1 55 55 LEU HD21 H 1 0.676 0.008 . 1 . . . A 55 LEU HD21 . 17902 1 571 . 1 1 55 55 LEU HD22 H 1 0.676 0.008 . 1 . . . A 55 LEU HD22 . 17902 1 572 . 1 1 55 55 LEU HD23 H 1 0.676 0.008 . 1 . . . A 55 LEU HD23 . 17902 1 573 . 1 1 55 55 LEU C C 13 178.618 0.100 . 1 . . . A 55 LEU C . 17902 1 574 . 1 1 55 55 LEU CA C 13 56.290 0.072 . 1 . . . A 55 LEU CA . 17902 1 575 . 1 1 55 55 LEU CB C 13 43.540 0.012 . 1 . . . A 55 LEU CB . 17902 1 576 . 1 1 55 55 LEU CG C 13 27.172 0.038 . 1 . . . A 55 LEU CG . 17902 1 577 . 1 1 55 55 LEU CD1 C 13 25.890 0.008 . 1 . . . A 55 LEU CD1 . 17902 1 578 . 1 1 55 55 LEU CD2 C 13 25.946 0.053 . 1 . . . A 55 LEU CD2 . 17902 1 579 . 1 1 55 55 LEU N N 15 128.615 0.052 . 1 . . . A 55 LEU N . 17902 1 580 . 1 1 56 56 ASP H H 1 9.686 0.011 . 1 . . . A 56 ASP H . 17902 1 581 . 1 1 56 56 ASP HA H 1 4.725 0.009 . 1 . . . A 56 ASP HA . 17902 1 582 . 1 1 56 56 ASP HB2 H 1 3.021 0.010 . 2 . . . A 56 ASP HB2 . 17902 1 583 . 1 1 56 56 ASP HB3 H 1 2.557 0.009 . 2 . . . A 56 ASP HB3 . 17902 1 584 . 1 1 56 56 ASP C C 13 177.449 0.100 . 1 . . . A 56 ASP C . 17902 1 585 . 1 1 56 56 ASP CA C 13 53.278 0.024 . 1 . . . A 56 ASP CA . 17902 1 586 . 1 1 56 56 ASP CB C 13 41.006 0.108 . 1 . . . A 56 ASP CB . 17902 1 587 . 1 1 56 56 ASP N N 15 126.056 0.061 . 1 . . . A 56 ASP N . 17902 1 588 . 1 1 57 57 GLY H H 1 8.138 0.007 . 1 . . . A 57 GLY H . 17902 1 589 . 1 1 57 57 GLY HA2 H 1 4.083 0.006 . 2 . . . A 57 GLY HA2 . 17902 1 590 . 1 1 57 57 GLY HA3 H 1 3.744 0.007 . 2 . . . A 57 GLY HA3 . 17902 1 591 . 1 1 57 57 GLY C C 13 174.411 0.100 . 1 . . . A 57 GLY C . 17902 1 592 . 1 1 57 57 GLY CA C 13 46.036 0.061 . 1 . . . A 57 GLY CA . 17902 1 593 . 1 1 57 57 GLY N N 15 109.161 0.045 . 1 . . . A 57 GLY N . 17902 1 594 . 1 1 58 58 SER H H 1 8.162 0.018 . 1 . . . A 58 SER H . 17902 1 595 . 1 1 58 58 SER HA H 1 4.311 0.012 . 1 . . . A 58 SER HA . 17902 1 596 . 1 1 58 58 SER HB2 H 1 4.169 0.004 . 2 . . . A 58 SER HB2 . 17902 1 597 . 1 1 58 58 SER HB3 H 1 3.853 0.011 . 2 . . . A 58 SER HB3 . 17902 1 598 . 1 1 58 58 SER C C 13 177.216 0.100 . 1 . . . A 58 SER C . 17902 1 599 . 1 1 58 58 SER CA C 13 58.466 0.091 . 1 . . . A 58 SER CA . 17902 1 600 . 1 1 58 58 SER CB C 13 64.620 0.067 . 1 . . . A 58 SER CB . 17902 1 601 . 1 1 58 58 SER N N 15 116.057 0.037 . 1 . . . A 58 SER N . 17902 1 602 . 1 1 59 59 SER H H 1 9.019 0.004 . 1 . . . A 59 SER H . 17902 1 603 . 1 1 59 59 SER HA H 1 4.041 0.006 . 1 . . . A 59 SER HA . 17902 1 604 . 1 1 59 59 SER HB2 H 1 3.800 0.013 . 1 . . . A 59 SER HB2 . 17902 1 605 . 1 1 59 59 SER HB3 H 1 3.800 0.013 . 1 . . . A 59 SER HB3 . 17902 1 606 . 1 1 59 59 SER C C 13 176.656 0.100 . 1 . . . A 59 SER C . 17902 1 607 . 1 1 59 59 SER CA C 13 61.602 0.108 . 1 . . . A 59 SER CA . 17902 1 608 . 1 1 59 59 SER CB C 13 62.661 0.072 . 1 . . . A 59 SER CB . 17902 1 609 . 1 1 59 59 SER N N 15 119.805 0.069 . 1 . . . A 59 SER N . 17902 1 610 . 1 1 60 60 GLU H H 1 8.519 0.025 . 1 . . . A 60 GLU H . 17902 1 611 . 1 1 60 60 GLU HA H 1 4.241 0.013 . 1 . . . A 60 GLU HA . 17902 1 612 . 1 1 60 60 GLU HB2 H 1 2.469 0.012 . 2 . . . A 60 GLU HB2 . 17902 1 613 . 1 1 60 60 GLU HB3 H 1 2.179 0.005 . 2 . . . A 60 GLU HB3 . 17902 1 614 . 1 1 60 60 GLU HG2 H 1 2.653 0.004 . 2 . . . A 60 GLU HG2 . 17902 1 615 . 1 1 60 60 GLU HG3 H 1 2.390 0.018 . 2 . . . A 60 GLU HG3 . 17902 1 616 . 1 1 60 60 GLU C C 13 177.218 0.100 . 1 . . . A 60 GLU C . 17902 1 617 . 1 1 60 60 GLU CA C 13 59.511 0.117 . 1 . . . A 60 GLU CA . 17902 1 618 . 1 1 60 60 GLU CB C 13 27.719 0.062 . 1 . . . A 60 GLU CB . 17902 1 619 . 1 1 60 60 GLU CG C 13 36.452 0.064 . 1 . . . A 60 GLU CG . 17902 1 620 . 1 1 60 60 GLU N N 15 118.614 0.050 . 1 . . . A 60 GLU N . 17902 1 621 . 1 1 61 61 GLN H H 1 7.666 0.008 . 1 . . . A 61 GLN H . 17902 1 622 . 1 1 61 61 GLN HA H 1 5.161 0.004 . 1 . . . A 61 GLN HA . 17902 1 623 . 1 1 61 61 GLN HB2 H 1 2.383 0.008 . 2 . . . A 61 GLN HB2 . 17902 1 624 . 1 1 61 61 GLN HB3 H 1 2.023 0.012 . 2 . . . A 61 GLN HB3 . 17902 1 625 . 1 1 61 61 GLN HG2 H 1 2.382 0.004 . 2 . . . A 61 GLN HG2 . 17902 1 626 . 1 1 61 61 GLN HG3 H 1 2.270 0.008 . 2 . . . A 61 GLN HG3 . 17902 1 627 . 1 1 61 61 GLN HE21 H 1 6.176 0.010 . 2 . . . A 61 GLN HE21 . 17902 1 628 . 1 1 61 61 GLN HE22 H 1 6.717 0.008 . 2 . . . A 61 GLN HE22 . 17902 1 629 . 1 1 61 61 GLN C C 13 173.161 0.100 . 1 . . . A 61 GLN C . 17902 1 630 . 1 1 61 61 GLN CA C 13 54.258 0.066 . 1 . . . A 61 GLN CA . 17902 1 631 . 1 1 61 61 GLN CB C 13 27.939 0.049 . 1 . . . A 61 GLN CB . 17902 1 632 . 1 1 61 61 GLN CG C 13 34.045 0.064 . 1 . . . A 61 GLN CG . 17902 1 633 . 1 1 61 61 GLN CD C 13 179.044 0.100 . 1 . . . A 61 GLN CD . 17902 1 634 . 1 1 61 61 GLN N N 15 118.739 0.026 . 1 . . . A 61 GLN N . 17902 1 635 . 1 1 61 61 GLN NE2 N 15 109.645 0.103 . 1 . . . A 61 GLN NE2 . 17902 1 636 . 1 1 62 62 ALA H H 1 7.228 0.012 . 1 . . . A 62 ALA H . 17902 1 637 . 1 1 62 62 ALA HA H 1 5.068 0.006 . 1 . . . A 62 ALA HA . 17902 1 638 . 1 1 62 62 ALA HB1 H 1 1.207 0.008 . 1 . . . A 62 ALA HB1 . 17902 1 639 . 1 1 62 62 ALA HB2 H 1 1.207 0.008 . 1 . . . A 62 ALA HB2 . 17902 1 640 . 1 1 62 62 ALA HB3 H 1 1.207 0.008 . 1 . . . A 62 ALA HB3 . 17902 1 641 . 1 1 62 62 ALA C C 13 176.567 0.100 . 1 . . . A 62 ALA C . 17902 1 642 . 1 1 62 62 ALA CA C 13 51.141 0.073 . 1 . . . A 62 ALA CA . 17902 1 643 . 1 1 62 62 ALA CB C 13 20.693 0.048 . 1 . . . A 62 ALA CB . 17902 1 644 . 1 1 62 62 ALA N N 15 122.479 0.029 . 1 . . . A 62 ALA N . 17902 1 645 . 1 1 63 63 TRP H H 1 9.568 0.009 . 1 . . . A 63 TRP H . 17902 1 646 . 1 1 63 63 TRP HA H 1 4.960 0.006 . 1 . . . A 63 TRP HA . 17902 1 647 . 1 1 63 63 TRP HB2 H 1 2.977 0.014 . 2 . . . A 63 TRP HB2 . 17902 1 648 . 1 1 63 63 TRP HB3 H 1 2.651 0.014 . 2 . . . A 63 TRP HB3 . 17902 1 649 . 1 1 63 63 TRP HD1 H 1 7.419 0.006 . 1 . . . A 63 TRP HD1 . 17902 1 650 . 1 1 63 63 TRP HE1 H 1 9.194 0.006 . 1 . . . A 63 TRP HE1 . 17902 1 651 . 1 1 63 63 TRP HE3 H 1 7.071 0.007 . 1 . . . A 63 TRP HE3 . 17902 1 652 . 1 1 63 63 TRP HZ2 H 1 6.961 0.004 . 1 . . . A 63 TRP HZ2 . 17902 1 653 . 1 1 63 63 TRP HZ3 H 1 6.488 0.009 . 1 . . . A 63 TRP HZ3 . 17902 1 654 . 1 1 63 63 TRP HH2 H 1 6.727 0.005 . 1 . . . A 63 TRP HH2 . 17902 1 655 . 1 1 63 63 TRP C C 13 174.271 0.100 . 1 . . . A 63 TRP C . 17902 1 656 . 1 1 63 63 TRP CA C 13 55.876 0.039 . 1 . . . A 63 TRP CA . 17902 1 657 . 1 1 63 63 TRP CB C 13 32.019 0.062 . 1 . . . A 63 TRP CB . 17902 1 658 . 1 1 63 63 TRP CD1 C 13 129.258 0.059 . 1 . . . A 63 TRP CD1 . 17902 1 659 . 1 1 63 63 TRP CE3 C 13 120.397 0.166 . 1 . . . A 63 TRP CE3 . 17902 1 660 . 1 1 63 63 TRP CZ2 C 13 114.040 0.062 . 1 . . . A 63 TRP CZ2 . 17902 1 661 . 1 1 63 63 TRP CZ3 C 13 120.156 0.100 . 1 . . . A 63 TRP CZ3 . 17902 1 662 . 1 1 63 63 TRP CH2 C 13 120.953 0.026 . 1 . . . A 63 TRP CH2 . 17902 1 663 . 1 1 63 63 TRP N N 15 124.886 0.033 . 1 . . . A 63 TRP N . 17902 1 664 . 1 1 63 63 TRP NE1 N 15 128.217 0.025 . 1 . . . A 63 TRP NE1 . 17902 1 665 . 1 1 64 64 ILE H H 1 10.260 0.007 . 1 . . . A 64 ILE H . 17902 1 666 . 1 1 64 64 ILE HA H 1 4.716 0.007 . 1 . . . A 64 ILE HA . 17902 1 667 . 1 1 64 64 ILE HB H 1 1.759 0.006 . 1 . . . A 64 ILE HB . 17902 1 668 . 1 1 64 64 ILE HG12 H 1 1.146 0.003 . 2 . . . A 64 ILE HG12 . 17902 1 669 . 1 1 64 64 ILE HG13 H 1 1.456 0.017 . 2 . . . A 64 ILE HG13 . 17902 1 670 . 1 1 64 64 ILE HG21 H 1 0.900 0.005 . 1 . . . A 64 ILE HG21 . 17902 1 671 . 1 1 64 64 ILE HG22 H 1 0.900 0.005 . 1 . . . A 64 ILE HG22 . 17902 1 672 . 1 1 64 64 ILE HG23 H 1 0.900 0.005 . 1 . . . A 64 ILE HG23 . 17902 1 673 . 1 1 64 64 ILE HD11 H 1 0.876 0.005 . 1 . . . A 64 ILE HD11 . 17902 1 674 . 1 1 64 64 ILE HD12 H 1 0.876 0.005 . 1 . . . A 64 ILE HD12 . 17902 1 675 . 1 1 64 64 ILE HD13 H 1 0.876 0.005 . 1 . . . A 64 ILE HD13 . 17902 1 676 . 1 1 64 64 ILE C C 13 177.143 0.100 . 1 . . . A 64 ILE C . 17902 1 677 . 1 1 64 64 ILE CA C 13 61.031 0.067 . 1 . . . A 64 ILE CA . 17902 1 678 . 1 1 64 64 ILE CB C 13 40.329 0.052 . 1 . . . A 64 ILE CB . 17902 1 679 . 1 1 64 64 ILE CG1 C 13 26.938 0.061 . 1 . . . A 64 ILE CG1 . 17902 1 680 . 1 1 64 64 ILE CG2 C 13 17.697 0.006 . 1 . . . A 64 ILE CG2 . 17902 1 681 . 1 1 64 64 ILE CD1 C 13 14.922 0.028 . 1 . . . A 64 ILE CD1 . 17902 1 682 . 1 1 64 64 ILE N N 15 122.573 0.040 . 1 . . . A 64 ILE N . 17902 1 683 . 1 1 65 65 LEU H H 1 9.424 0.006 . 1 . . . A 65 LEU H . 17902 1 684 . 1 1 65 65 LEU HA H 1 5.500 0.003 . 1 . . . A 65 LEU HA . 17902 1 685 . 1 1 65 65 LEU HB2 H 1 1.715 0.005 . 2 . . . A 65 LEU HB2 . 17902 1 686 . 1 1 65 65 LEU HB3 H 1 1.498 0.026 . 2 . . . A 65 LEU HB3 . 17902 1 687 . 1 1 65 65 LEU HG H 1 1.440 0.004 . 1 . . . A 65 LEU HG . 17902 1 688 . 1 1 65 65 LEU HD11 H 1 0.121 0.005 . 1 . . . A 65 LEU HD11 . 17902 1 689 . 1 1 65 65 LEU HD12 H 1 0.121 0.005 . 1 . . . A 65 LEU HD12 . 17902 1 690 . 1 1 65 65 LEU HD13 H 1 0.121 0.005 . 1 . . . A 65 LEU HD13 . 17902 1 691 . 1 1 65 65 LEU HD21 H 1 0.089 0.004 . 1 . . . A 65 LEU HD21 . 17902 1 692 . 1 1 65 65 LEU HD22 H 1 0.089 0.004 . 1 . . . A 65 LEU HD22 . 17902 1 693 . 1 1 65 65 LEU HD23 H 1 0.089 0.004 . 1 . . . A 65 LEU HD23 . 17902 1 694 . 1 1 65 65 LEU C C 13 177.014 0.100 . 1 . . . A 65 LEU C . 17902 1 695 . 1 1 65 65 LEU CA C 13 54.239 0.044 . 1 . . . A 65 LEU CA . 17902 1 696 . 1 1 65 65 LEU CB C 13 42.436 0.016 . 1 . . . A 65 LEU CB . 17902 1 697 . 1 1 65 65 LEU CG C 13 29.029 0.071 . 1 . . . A 65 LEU CG . 17902 1 698 . 1 1 65 65 LEU CD1 C 13 24.169 0.049 . 1 . . . A 65 LEU CD1 . 17902 1 699 . 1 1 65 65 LEU CD2 C 13 24.870 0.028 . 1 . . . A 65 LEU CD2 . 17902 1 700 . 1 1 65 65 LEU N N 15 132.354 0.048 . 1 . . . A 65 LEU N . 17902 1 701 . 1 1 66 66 ARG H H 1 8.395 0.009 . 1 . . . A 66 ARG H . 17902 1 702 . 1 1 66 66 ARG HA H 1 4.870 0.004 . 1 . . . A 66 ARG HA . 17902 1 703 . 1 1 66 66 ARG HB2 H 1 1.848 0.007 . 2 . . . A 66 ARG HB2 . 17902 1 704 . 1 1 66 66 ARG HB3 H 1 1.765 0.003 . 2 . . . A 66 ARG HB3 . 17902 1 705 . 1 1 66 66 ARG HG2 H 1 1.715 0.014 . 2 . . . A 66 ARG HG2 . 17902 1 706 . 1 1 66 66 ARG HG3 H 1 1.669 0.005 . 2 . . . A 66 ARG HG3 . 17902 1 707 . 1 1 66 66 ARG HD2 H 1 3.256 0.008 . 2 . . . A 66 ARG HD2 . 17902 1 708 . 1 1 66 66 ARG HD3 H 1 3.191 0.006 . 2 . . . A 66 ARG HD3 . 17902 1 709 . 1 1 66 66 ARG HE H 1 7.306 0.007 . 1 . . . A 66 ARG HE . 17902 1 710 . 1 1 66 66 ARG C C 13 175.205 0.100 . 1 . . . A 66 ARG C . 17902 1 711 . 1 1 66 66 ARG CA C 13 54.930 0.024 . 1 . . . A 66 ARG CA . 17902 1 712 . 1 1 66 66 ARG CB C 13 32.930 0.060 . 1 . . . A 66 ARG CB . 17902 1 713 . 1 1 66 66 ARG CG C 13 28.473 0.018 . 1 . . . A 66 ARG CG . 17902 1 714 . 1 1 66 66 ARG CD C 13 43.850 0.144 . 1 . . . A 66 ARG CD . 17902 1 715 . 1 1 66 66 ARG CZ C 13 159.653 0.100 . 1 . . . A 66 ARG CZ . 17902 1 716 . 1 1 66 66 ARG N N 15 120.491 0.031 . 1 . . . A 66 ARG N . 17902 1 717 . 1 1 66 66 ARG NE N 15 86.001 0.031 . 1 . . . A 66 ARG NE . 17902 1 718 . 1 1 67 67 SER H H 1 8.571 0.006 . 1 . . . A 67 SER H . 17902 1 719 . 1 1 67 67 SER HA H 1 3.068 0.007 . 1 . . . A 67 SER HA . 17902 1 720 . 1 1 67 67 SER HB2 H 1 3.227 0.009 . 2 . . . A 67 SER HB2 . 17902 1 721 . 1 1 67 67 SER HB3 H 1 2.929 0.009 . 2 . . . A 67 SER HB3 . 17902 1 722 . 1 1 67 67 SER C C 13 174.554 0.100 . 1 . . . A 67 SER C . 17902 1 723 . 1 1 67 67 SER CA C 13 58.564 0.094 . 1 . . . A 67 SER CA . 17902 1 724 . 1 1 67 67 SER CB C 13 62.516 0.080 . 1 . . . A 67 SER CB . 17902 1 725 . 1 1 67 67 SER N N 15 119.783 0.019 . 1 . . . A 67 SER N . 17902 1 726 . 1 1 68 68 TYR H H 1 8.524 0.010 . 1 . . . A 68 TYR H . 17902 1 727 . 1 1 68 68 TYR HA H 1 4.442 0.007 . 1 . . . A 68 TYR HA . 17902 1 728 . 1 1 68 68 TYR HB2 H 1 2.546 0.011 . 1 . . . A 68 TYR HB2 . 17902 1 729 . 1 1 68 68 TYR HB3 H 1 2.546 0.011 . 1 . . . A 68 TYR HB3 . 17902 1 730 . 1 1 68 68 TYR HD1 H 1 6.923 0.009 . 3 . . . A 68 TYR HD1 . 17902 1 731 . 1 1 68 68 TYR HD2 H 1 6.923 0.009 . 3 . . . A 68 TYR HD2 . 17902 1 732 . 1 1 68 68 TYR HE1 H 1 6.644 0.014 . 3 . . . A 68 TYR HE1 . 17902 1 733 . 1 1 68 68 TYR HE2 H 1 6.644 0.014 . 3 . . . A 68 TYR HE2 . 17902 1 734 . 1 1 68 68 TYR C C 13 174.497 0.100 . 1 . . . A 68 TYR C . 17902 1 735 . 1 1 68 68 TYR CA C 13 59.703 0.066 . 1 . . . A 68 TYR CA . 17902 1 736 . 1 1 68 68 TYR CB C 13 39.136 0.077 . 1 . . . A 68 TYR CB . 17902 1 737 . 1 1 68 68 TYR CD1 C 13 133.251 0.059 . 3 . . . A 68 TYR CD1 . 17902 1 738 . 1 1 68 68 TYR CE1 C 13 117.990 0.096 . 3 . . . A 68 TYR CE1 . 17902 1 739 . 1 1 68 68 TYR N N 15 130.761 0.032 . 1 . . . A 68 TYR N . 17902 1 740 . 1 1 69 69 ASP H H 1 6.988 0.013 . 1 . . . A 69 ASP H . 17902 1 741 . 1 1 69 69 ASP HA H 1 4.585 0.007 . 1 . . . A 69 ASP HA . 17902 1 742 . 1 1 69 69 ASP HB2 H 1 2.800 0.008 . 2 . . . A 69 ASP HB2 . 17902 1 743 . 1 1 69 69 ASP HB3 H 1 2.289 0.007 . 2 . . . A 69 ASP HB3 . 17902 1 744 . 1 1 69 69 ASP C C 13 176.343 0.100 . 1 . . . A 69 ASP C . 17902 1 745 . 1 1 69 69 ASP CA C 13 52.870 0.039 . 1 . . . A 69 ASP CA . 17902 1 746 . 1 1 69 69 ASP CB C 13 41.874 0.068 . 1 . . . A 69 ASP CB . 17902 1 747 . 1 1 69 69 ASP N N 15 116.748 0.028 . 1 . . . A 69 ASP N . 17902 1 748 . 1 1 70 70 SER H H 1 8.754 0.006 . 1 . . . A 70 SER H . 17902 1 749 . 1 1 70 70 SER HA H 1 4.256 0.007 . 1 . . . A 70 SER HA . 17902 1 750 . 1 1 70 70 SER HB2 H 1 3.855 0.011 . 2 . . . A 70 SER HB2 . 17902 1 751 . 1 1 70 70 SER HB3 H 1 3.704 0.008 . 2 . . . A 70 SER HB3 . 17902 1 752 . 1 1 70 70 SER C C 13 177.052 0.100 . 1 . . . A 70 SER C . 17902 1 753 . 1 1 70 70 SER CA C 13 60.839 0.053 . 1 . . . A 70 SER CA . 17902 1 754 . 1 1 70 70 SER CB C 13 62.553 0.052 . 1 . . . A 70 SER CB . 17902 1 755 . 1 1 70 70 SER N N 15 123.125 0.034 . 1 . . . A 70 SER N . 17902 1 756 . 1 1 71 71 ASN H H 1 8.314 0.008 . 1 . . . A 71 ASN H . 17902 1 757 . 1 1 71 71 ASN HA H 1 4.536 0.006 . 1 . . . A 71 ASN HA . 17902 1 758 . 1 1 71 71 ASN HB2 H 1 2.932 0.005 . 2 . . . A 71 ASN HB2 . 17902 1 759 . 1 1 71 71 ASN HB3 H 1 2.786 0.005 . 2 . . . A 71 ASN HB3 . 17902 1 760 . 1 1 71 71 ASN HD21 H 1 6.906 0.006 . 2 . . . A 71 ASN HD21 . 17902 1 761 . 1 1 71 71 ASN HD22 H 1 7.772 0.005 . 2 . . . A 71 ASN HD22 . 17902 1 762 . 1 1 71 71 ASN C C 13 176.267 0.100 . 1 . . . A 71 ASN C . 17902 1 763 . 1 1 71 71 ASN CA C 13 55.799 0.041 . 1 . . . A 71 ASN CA . 17902 1 764 . 1 1 71 71 ASN CB C 13 38.577 0.033 . 1 . . . A 71 ASN CB . 17902 1 765 . 1 1 71 71 ASN CG C 13 176.711 0.003 . 1 . . . A 71 ASN CG . 17902 1 766 . 1 1 71 71 ASN N N 15 119.889 0.020 . 1 . . . A 71 ASN N . 17902 1 767 . 1 1 71 71 ASN ND2 N 15 114.360 0.026 . 1 . . . A 71 ASN ND2 . 17902 1 768 . 1 1 72 72 SER H H 1 7.520 0.009 . 1 . . . A 72 SER H . 17902 1 769 . 1 1 72 72 SER HA H 1 4.540 0.005 . 1 . . . A 72 SER HA . 17902 1 770 . 1 1 72 72 SER HB2 H 1 3.916 0.009 . 1 . . . A 72 SER HB2 . 17902 1 771 . 1 1 72 72 SER HB3 H 1 3.916 0.009 . 1 . . . A 72 SER HB3 . 17902 1 772 . 1 1 72 72 SER C C 13 173.732 0.100 . 1 . . . A 72 SER C . 17902 1 773 . 1 1 72 72 SER CA C 13 57.751 0.087 . 1 . . . A 72 SER CA . 17902 1 774 . 1 1 72 72 SER CB C 13 63.985 0.070 . 1 . . . A 72 SER CB . 17902 1 775 . 1 1 72 72 SER N N 15 112.068 0.018 . 1 . . . A 72 SER N . 17902 1 776 . 1 1 73 73 ASN H H 1 7.881 0.008 . 1 . . . A 73 ASN H . 17902 1 777 . 1 1 73 73 ASN HA H 1 4.476 0.007 . 1 . . . A 73 ASN HA . 17902 1 778 . 1 1 73 73 ASN HB2 H 1 3.546 0.005 . 2 . . . A 73 ASN HB2 . 17902 1 779 . 1 1 73 73 ASN HB3 H 1 2.778 0.007 . 2 . . . A 73 ASN HB3 . 17902 1 780 . 1 1 73 73 ASN HD21 H 1 6.915 0.006 . 2 . . . A 73 ASN HD21 . 17902 1 781 . 1 1 73 73 ASN HD22 H 1 7.759 0.007 . 2 . . . A 73 ASN HD22 . 17902 1 782 . 1 1 73 73 ASN C C 13 173.430 0.100 . 1 . . . A 73 ASN C . 17902 1 783 . 1 1 73 73 ASN CA C 13 54.537 0.063 . 1 . . . A 73 ASN CA . 17902 1 784 . 1 1 73 73 ASN CB C 13 37.089 0.027 . 1 . . . A 73 ASN CB . 17902 1 785 . 1 1 73 73 ASN CG C 13 179.236 0.018 . 1 . . . A 73 ASN CG . 17902 1 786 . 1 1 73 73 ASN N N 15 117.412 0.030 . 1 . . . A 73 ASN N . 17902 1 787 . 1 1 73 73 ASN ND2 N 15 113.419 0.039 . 1 . . . A 73 ASN ND2 . 17902 1 788 . 1 1 74 74 THR H H 1 7.727 0.007 . 1 . . . A 74 THR H . 17902 1 789 . 1 1 74 74 THR HA H 1 5.507 0.007 . 1 . . . A 74 THR HA . 17902 1 790 . 1 1 74 74 THR HB H 1 3.906 0.006 . 1 . . . A 74 THR HB . 17902 1 791 . 1 1 74 74 THR HG21 H 1 1.131 0.011 . 1 . . . A 74 THR HG21 . 17902 1 792 . 1 1 74 74 THR HG22 H 1 1.131 0.011 . 1 . . . A 74 THR HG22 . 17902 1 793 . 1 1 74 74 THR HG23 H 1 1.131 0.011 . 1 . . . A 74 THR HG23 . 17902 1 794 . 1 1 74 74 THR C C 13 177.237 0.100 . 1 . . . A 74 THR C . 17902 1 795 . 1 1 74 74 THR CA C 13 59.633 0.067 . 1 . . . A 74 THR CA . 17902 1 796 . 1 1 74 74 THR CB C 13 72.103 0.056 . 1 . . . A 74 THR CB . 17902 1 797 . 1 1 74 74 THR CG2 C 13 23.374 0.059 . 1 . . . A 74 THR CG2 . 17902 1 798 . 1 1 74 74 THR N N 15 103.610 0.028 . 1 . . . A 74 THR N . 17902 1 799 . 1 1 75 75 TRP H H 1 9.409 0.008 . 1 . . . A 75 TRP H . 17902 1 800 . 1 1 75 75 TRP HA H 1 5.170 0.006 . 1 . . . A 75 TRP HA . 17902 1 801 . 1 1 75 75 TRP HB2 H 1 3.330 0.008 . 2 . . . A 75 TRP HB2 . 17902 1 802 . 1 1 75 75 TRP HB3 H 1 2.530 0.004 . 2 . . . A 75 TRP HB3 . 17902 1 803 . 1 1 75 75 TRP HD1 H 1 7.232 0.006 . 1 . . . A 75 TRP HD1 . 17902 1 804 . 1 1 75 75 TRP HE1 H 1 10.068 0.009 . 1 . . . A 75 TRP HE1 . 17902 1 805 . 1 1 75 75 TRP HE3 H 1 7.175 0.011 . 1 . . . A 75 TRP HE3 . 17902 1 806 . 1 1 75 75 TRP HZ2 H 1 7.361 0.010 . 1 . . . A 75 TRP HZ2 . 17902 1 807 . 1 1 75 75 TRP HZ3 H 1 6.517 0.008 . 1 . . . A 75 TRP HZ3 . 17902 1 808 . 1 1 75 75 TRP HH2 H 1 6.825 0.009 . 1 . . . A 75 TRP HH2 . 17902 1 809 . 1 1 75 75 TRP C C 13 176.062 0.100 . 1 . . . A 75 TRP C . 17902 1 810 . 1 1 75 75 TRP CA C 13 57.663 0.067 . 1 . . . A 75 TRP CA . 17902 1 811 . 1 1 75 75 TRP CB C 13 33.213 0.036 . 1 . . . A 75 TRP CB . 17902 1 812 . 1 1 75 75 TRP CD1 C 13 127.731 0.039 . 1 . . . A 75 TRP CD1 . 17902 1 813 . 1 1 75 75 TRP CE3 C 13 120.140 0.015 . 1 . . . A 75 TRP CE3 . 17902 1 814 . 1 1 75 75 TRP CZ2 C 13 114.494 0.052 . 1 . . . A 75 TRP CZ2 . 17902 1 815 . 1 1 75 75 TRP CZ3 C 13 120.366 0.067 . 1 . . . A 75 TRP CZ3 . 17902 1 816 . 1 1 75 75 TRP CH2 C 13 124.077 0.056 . 1 . . . A 75 TRP CH2 . 17902 1 817 . 1 1 75 75 TRP N N 15 124.666 0.032 . 1 . . . A 75 TRP N . 17902 1 818 . 1 1 75 75 TRP NE1 N 15 128.688 0.025 . 1 . . . A 75 TRP NE1 . 17902 1 819 . 1 1 76 76 THR H H 1 9.430 0.009 . 1 . . . A 76 THR H . 17902 1 820 . 1 1 76 76 THR HA H 1 5.092 0.006 . 1 . . . A 76 THR HA . 17902 1 821 . 1 1 76 76 THR HB H 1 4.350 0.008 . 1 . . . A 76 THR HB . 17902 1 822 . 1 1 76 76 THR HG21 H 1 1.317 0.007 . 1 . . . A 76 THR HG21 . 17902 1 823 . 1 1 76 76 THR HG22 H 1 1.317 0.007 . 1 . . . A 76 THR HG22 . 17902 1 824 . 1 1 76 76 THR HG23 H 1 1.317 0.007 . 1 . . . A 76 THR HG23 . 17902 1 825 . 1 1 76 76 THR C C 13 174.551 0.100 . 1 . . . A 76 THR C . 17902 1 826 . 1 1 76 76 THR CA C 13 60.584 0.086 . 1 . . . A 76 THR CA . 17902 1 827 . 1 1 76 76 THR CB C 13 71.472 0.059 . 1 . . . A 76 THR CB . 17902 1 828 . 1 1 76 76 THR CG2 C 13 21.329 0.052 . 1 . . . A 76 THR CG2 . 17902 1 829 . 1 1 76 76 THR N N 15 110.767 0.035 . 1 . . . A 76 THR N . 17902 1 830 . 1 1 77 77 ILE H H 1 9.196 0.008 . 1 . . . A 77 ILE H . 17902 1 831 . 1 1 77 77 ILE HA H 1 5.065 0.010 . 1 . . . A 77 ILE HA . 17902 1 832 . 1 1 77 77 ILE HB H 1 1.546 0.002 . 1 . . . A 77 ILE HB . 17902 1 833 . 1 1 77 77 ILE HG12 H 1 1.600 0.008 . 2 . . . A 77 ILE HG12 . 17902 1 834 . 1 1 77 77 ILE HG13 H 1 0.712 0.001 . 2 . . . A 77 ILE HG13 . 17902 1 835 . 1 1 77 77 ILE HG21 H 1 0.590 0.005 . 1 . . . A 77 ILE HG21 . 17902 1 836 . 1 1 77 77 ILE HG22 H 1 0.590 0.005 . 1 . . . A 77 ILE HG22 . 17902 1 837 . 1 1 77 77 ILE HG23 H 1 0.590 0.005 . 1 . . . A 77 ILE HG23 . 17902 1 838 . 1 1 77 77 ILE HD11 H 1 0.155 0.007 . 1 . . . A 77 ILE HD11 . 17902 1 839 . 1 1 77 77 ILE HD12 H 1 0.155 0.007 . 1 . . . A 77 ILE HD12 . 17902 1 840 . 1 1 77 77 ILE HD13 H 1 0.155 0.007 . 1 . . . A 77 ILE HD13 . 17902 1 841 . 1 1 77 77 ILE C C 13 176.155 0.100 . 1 . . . A 77 ILE C . 17902 1 842 . 1 1 77 77 ILE CA C 13 61.926 0.053 . 1 . . . A 77 ILE CA . 17902 1 843 . 1 1 77 77 ILE CB C 13 40.811 0.073 . 1 . . . A 77 ILE CB . 17902 1 844 . 1 1 77 77 ILE CG1 C 13 26.062 0.192 . 1 . . . A 77 ILE CG1 . 17902 1 845 . 1 1 77 77 ILE CG2 C 13 18.159 0.019 . 1 . . . A 77 ILE CG2 . 17902 1 846 . 1 1 77 77 ILE CD1 C 13 12.675 0.020 . 1 . . . A 77 ILE CD1 . 17902 1 847 . 1 1 77 77 ILE N N 15 121.419 0.030 . 1 . . . A 77 ILE N . 17902 1 848 . 1 1 78 78 SER H H 1 9.133 0.014 . 1 . . . A 78 SER H . 17902 1 849 . 1 1 78 78 SER HA H 1 5.584 0.008 . 1 . . . A 78 SER HA . 17902 1 850 . 1 1 78 78 SER HB2 H 1 4.240 0.005 . 2 . . . A 78 SER HB2 . 17902 1 851 . 1 1 78 78 SER HB3 H 1 3.531 0.008 . 2 . . . A 78 SER HB3 . 17902 1 852 . 1 1 78 78 SER CA C 13 55.733 0.069 . 1 . . . A 78 SER CA . 17902 1 853 . 1 1 78 78 SER CB C 13 65.891 0.038 . 1 . . . A 78 SER CB . 17902 1 854 . 1 1 78 78 SER N N 15 121.963 0.037 . 1 . . . A 78 SER N . 17902 1 855 . 1 1 79 79 PRO HA H 1 3.814 0.003 . 1 . . . A 79 PRO HA . 17902 1 856 . 1 1 79 79 PRO HB2 H 1 1.015 0.018 . 2 . . . A 79 PRO HB2 . 17902 1 857 . 1 1 79 79 PRO HB3 H 1 0.770 0.006 . 2 . . . A 79 PRO HB3 . 17902 1 858 . 1 1 79 79 PRO HG2 H 1 1.152 0.005 . 2 . . . A 79 PRO HG2 . 17902 1 859 . 1 1 79 79 PRO HG3 H 1 1.504 0.007 . 2 . . . A 79 PRO HG3 . 17902 1 860 . 1 1 79 79 PRO HD2 H 1 3.874 0.007 . 2 . . . A 79 PRO HD2 . 17902 1 861 . 1 1 79 79 PRO HD3 H 1 3.418 0.009 . 2 . . . A 79 PRO HD3 . 17902 1 862 . 1 1 79 79 PRO C C 13 178.105 0.100 . 1 . . . A 79 PRO C . 17902 1 863 . 1 1 79 79 PRO CA C 13 62.746 0.094 . 1 . . . A 79 PRO CA . 17902 1 864 . 1 1 79 79 PRO CB C 13 30.216 0.067 . 1 . . . A 79 PRO CB . 17902 1 865 . 1 1 79 79 PRO CG C 13 27.265 0.043 . 1 . . . A 79 PRO CG . 17902 1 866 . 1 1 79 79 PRO CD C 13 49.418 0.068 . 1 . . . A 79 PRO CD . 17902 1 867 . 1 1 80 80 VAL H H 1 7.345 0.008 . 1 . . . A 80 VAL H . 17902 1 868 . 1 1 80 80 VAL HA H 1 3.559 0.004 . 1 . . . A 80 VAL HA . 17902 1 869 . 1 1 80 80 VAL HB H 1 1.827 0.005 . 1 . . . A 80 VAL HB . 17902 1 870 . 1 1 80 80 VAL HG11 H 1 0.766 0.006 . 1 . . . A 80 VAL HG11 . 17902 1 871 . 1 1 80 80 VAL HG12 H 1 0.766 0.006 . 1 . . . A 80 VAL HG12 . 17902 1 872 . 1 1 80 80 VAL HG13 H 1 0.766 0.006 . 1 . . . A 80 VAL HG13 . 17902 1 873 . 1 1 80 80 VAL HG21 H 1 0.831 0.005 . 1 . . . A 80 VAL HG21 . 17902 1 874 . 1 1 80 80 VAL HG22 H 1 0.831 0.005 . 1 . . . A 80 VAL HG22 . 17902 1 875 . 1 1 80 80 VAL HG23 H 1 0.831 0.005 . 1 . . . A 80 VAL HG23 . 17902 1 876 . 1 1 80 80 VAL C C 13 177.678 0.100 . 1 . . . A 80 VAL C . 17902 1 877 . 1 1 80 80 VAL CA C 13 66.091 0.119 . 1 . . . A 80 VAL CA . 17902 1 878 . 1 1 80 80 VAL CB C 13 31.550 0.052 . 1 . . . A 80 VAL CB . 17902 1 879 . 1 1 80 80 VAL CG1 C 13 21.033 0.061 . 1 . . . A 80 VAL CG1 . 17902 1 880 . 1 1 80 80 VAL CG2 C 13 23.044 0.028 . 1 . . . A 80 VAL CG2 . 17902 1 881 . 1 1 80 80 VAL N N 15 121.939 0.037 . 1 . . . A 80 VAL N . 17902 1 882 . 1 1 81 81 GLY H H 1 8.945 0.006 . 1 . . . A 81 GLY H . 17902 1 883 . 1 1 81 81 GLY HA2 H 1 3.922 0.008 . 2 . . . A 81 GLY HA2 . 17902 1 884 . 1 1 81 81 GLY HA3 H 1 3.531 0.004 . 2 . . . A 81 GLY HA3 . 17902 1 885 . 1 1 81 81 GLY C C 13 174.942 0.100 . 1 . . . A 81 GLY C . 17902 1 886 . 1 1 81 81 GLY CA C 13 45.103 0.058 . 1 . . . A 81 GLY CA . 17902 1 887 . 1 1 81 81 GLY N N 15 104.563 0.026 . 1 . . . A 81 GLY N . 17902 1 888 . 1 1 82 82 SER H H 1 6.959 0.009 . 1 . . . A 82 SER H . 17902 1 889 . 1 1 82 82 SER HA H 1 4.619 0.010 . 1 . . . A 82 SER HA . 17902 1 890 . 1 1 82 82 SER HB2 H 1 3.562 0.010 . 2 . . . A 82 SER HB2 . 17902 1 891 . 1 1 82 82 SER HB3 H 1 3.474 0.011 . 2 . . . A 82 SER HB3 . 17902 1 892 . 1 1 82 82 SER CA C 13 55.607 0.061 . 1 . . . A 82 SER CA . 17902 1 893 . 1 1 82 82 SER CB C 13 62.293 0.067 . 1 . . . A 82 SER CB . 17902 1 894 . 1 1 82 82 SER N N 15 111.874 0.049 . 1 . . . A 82 SER N . 17902 1 895 . 1 1 83 83 PRO HA H 1 4.329 0.005 . 1 . . . A 83 PRO HA . 17902 1 896 . 1 1 83 83 PRO HB2 H 1 2.140 0.007 . 2 . . . A 83 PRO HB2 . 17902 1 897 . 1 1 83 83 PRO HB3 H 1 1.913 0.003 . 2 . . . A 83 PRO HB3 . 17902 1 898 . 1 1 83 83 PRO HG2 H 1 1.981 0.004 . 2 . . . A 83 PRO HG2 . 17902 1 899 . 1 1 83 83 PRO HG3 H 1 1.856 0.009 . 2 . . . A 83 PRO HG3 . 17902 1 900 . 1 1 83 83 PRO HD2 H 1 3.631 0.006 . 2 . . . A 83 PRO HD2 . 17902 1 901 . 1 1 83 83 PRO HD3 H 1 3.408 0.008 . 2 . . . A 83 PRO HD3 . 17902 1 902 . 1 1 83 83 PRO C C 13 176.569 0.100 . 1 . . . A 83 PRO C . 17902 1 903 . 1 1 83 83 PRO CA C 13 65.265 0.047 . 1 . . . A 83 PRO CA . 17902 1 904 . 1 1 83 83 PRO CB C 13 32.753 0.029 . 1 . . . A 83 PRO CB . 17902 1 905 . 1 1 83 83 PRO CG C 13 27.033 0.040 . 1 . . . A 83 PRO CG . 17902 1 906 . 1 1 83 83 PRO CD C 13 49.935 0.100 . 1 . . . A 83 PRO CD . 17902 1 907 . 1 1 84 84 ASN H H 1 8.489 0.005 . 1 . . . A 84 ASN H . 17902 1 908 . 1 1 84 84 ASN HA H 1 4.982 0.005 . 1 . . . A 84 ASN HA . 17902 1 909 . 1 1 84 84 ASN HB2 H 1 2.856 0.010 . 2 . . . A 84 ASN HB2 . 17902 1 910 . 1 1 84 84 ASN HB3 H 1 2.703 0.008 . 2 . . . A 84 ASN HB3 . 17902 1 911 . 1 1 84 84 ASN HD21 H 1 6.915 0.008 . 2 . . . A 84 ASN HD21 . 17902 1 912 . 1 1 84 84 ASN HD22 H 1 7.497 0.007 . 2 . . . A 84 ASN HD22 . 17902 1 913 . 1 1 84 84 ASN C C 13 175.953 0.100 . 1 . . . A 84 ASN C . 17902 1 914 . 1 1 84 84 ASN CA C 13 52.887 0.054 . 1 . . . A 84 ASN CA . 17902 1 915 . 1 1 84 84 ASN CB C 13 38.821 0.059 . 1 . . . A 84 ASN CB . 17902 1 916 . 1 1 84 84 ASN CG C 13 177.546 0.012 . 1 . . . A 84 ASN CG . 17902 1 917 . 1 1 84 84 ASN N N 15 116.421 0.049 . 1 . . . A 84 ASN N . 17902 1 918 . 1 1 84 84 ASN ND2 N 15 113.097 0.047 . 1 . . . A 84 ASN ND2 . 17902 1 919 . 1 1 85 85 SER H H 1 7.982 0.009 . 1 . . . A 85 SER H . 17902 1 920 . 1 1 85 85 SER HA H 1 4.613 0.007 . 1 . . . A 85 SER HA . 17902 1 921 . 1 1 85 85 SER HB2 H 1 3.920 0.006 . 2 . . . A 85 SER HB2 . 17902 1 922 . 1 1 85 85 SER HB3 H 1 3.729 0.006 . 2 . . . A 85 SER HB3 . 17902 1 923 . 1 1 85 85 SER C C 13 172.917 0.100 . 1 . . . A 85 SER C . 17902 1 924 . 1 1 85 85 SER CA C 13 59.267 0.050 . 1 . . . A 85 SER CA . 17902 1 925 . 1 1 85 85 SER CB C 13 64.480 0.076 . 1 . . . A 85 SER CB . 17902 1 926 . 1 1 85 85 SER N N 15 114.678 0.058 . 1 . . . A 85 SER N . 17902 1 927 . 1 1 86 86 GLN H H 1 9.414 0.009 . 1 . . . A 86 GLN H . 17902 1 928 . 1 1 86 86 GLN HA H 1 5.451 0.006 . 1 . . . A 86 GLN HA . 17902 1 929 . 1 1 86 86 GLN HB2 H 1 2.640 0.016 . 2 . . . A 86 GLN HB2 . 17902 1 930 . 1 1 86 86 GLN HB3 H 1 2.264 0.011 . 2 . . . A 86 GLN HB3 . 17902 1 931 . 1 1 86 86 GLN HG2 H 1 2.477 0.004 . 1 . . . A 86 GLN HG2 . 17902 1 932 . 1 1 86 86 GLN HG3 H 1 2.477 0.004 . 1 . . . A 86 GLN HG3 . 17902 1 933 . 1 1 86 86 GLN HE21 H 1 7.179 0.007 . 2 . . . A 86 GLN HE21 . 17902 1 934 . 1 1 86 86 GLN HE22 H 1 7.790 0.007 . 2 . . . A 86 GLN HE22 . 17902 1 935 . 1 1 86 86 GLN C C 13 179.177 0.100 . 1 . . . A 86 GLN C . 17902 1 936 . 1 1 86 86 GLN CA C 13 54.365 0.046 . 1 . . . A 86 GLN CA . 17902 1 937 . 1 1 86 86 GLN CB C 13 34.650 0.056 . 1 . . . A 86 GLN CB . 17902 1 938 . 1 1 86 86 GLN CG C 13 34.278 0.017 . 1 . . . A 86 GLN CG . 17902 1 939 . 1 1 86 86 GLN CD C 13 179.139 0.100 . 1 . . . A 86 GLN CD . 17902 1 940 . 1 1 86 86 GLN N N 15 118.988 0.028 . 1 . . . A 86 GLN N . 17902 1 941 . 1 1 86 86 GLN NE2 N 15 111.692 0.060 . 1 . . . A 86 GLN NE2 . 17902 1 942 . 1 1 87 87 ILE H H 1 8.863 0.008 . 1 . . . A 87 ILE H . 17902 1 943 . 1 1 87 87 ILE HA H 1 4.634 0.020 . 1 . . . A 87 ILE HA . 17902 1 944 . 1 1 87 87 ILE HB H 1 1.778 0.005 . 1 . . . A 87 ILE HB . 17902 1 945 . 1 1 87 87 ILE HG12 H 1 1.791 0.006 . 2 . . . A 87 ILE HG12 . 17902 1 946 . 1 1 87 87 ILE HG13 H 1 0.794 0.007 . 2 . . . A 87 ILE HG13 . 17902 1 947 . 1 1 87 87 ILE HG21 H 1 0.833 0.006 . 1 . . . A 87 ILE HG21 . 17902 1 948 . 1 1 87 87 ILE HG22 H 1 0.833 0.006 . 1 . . . A 87 ILE HG22 . 17902 1 949 . 1 1 87 87 ILE HG23 H 1 0.833 0.006 . 1 . . . A 87 ILE HG23 . 17902 1 950 . 1 1 87 87 ILE HD11 H 1 0.175 0.005 . 1 . . . A 87 ILE HD11 . 17902 1 951 . 1 1 87 87 ILE HD12 H 1 0.175 0.005 . 1 . . . A 87 ILE HD12 . 17902 1 952 . 1 1 87 87 ILE HD13 H 1 0.175 0.005 . 1 . . . A 87 ILE HD13 . 17902 1 953 . 1 1 87 87 ILE C C 13 176.507 0.489 . 1 . . . A 87 ILE C . 17902 1 954 . 1 1 87 87 ILE CA C 13 63.494 0.074 . 1 . . . A 87 ILE CA . 17902 1 955 . 1 1 87 87 ILE CB C 13 38.268 0.086 . 1 . . . A 87 ILE CB . 17902 1 956 . 1 1 87 87 ILE CG1 C 13 28.981 0.119 . 1 . . . A 87 ILE CG1 . 17902 1 957 . 1 1 87 87 ILE CG2 C 13 19.546 0.016 . 1 . . . A 87 ILE CG2 . 17902 1 958 . 1 1 87 87 ILE CD1 C 13 14.182 0.032 . 1 . . . A 87 ILE CD1 . 17902 1 959 . 1 1 87 87 ILE N N 15 119.732 0.034 . 1 . . . A 87 ILE N . 17902 1 960 . 1 1 88 88 GLY H H 1 9.739 0.010 . 1 . . . A 88 GLY H . 17902 1 961 . 1 1 88 88 GLY HA2 H 1 4.797 0.013 . 2 . . . A 88 GLY HA2 . 17902 1 962 . 1 1 88 88 GLY HA3 H 1 3.074 0.012 . 2 . . . A 88 GLY HA3 . 17902 1 963 . 1 1 88 88 GLY C C 13 170.546 0.100 . 1 . . . A 88 GLY C . 17902 1 964 . 1 1 88 88 GLY CA C 13 43.391 0.109 . 1 . . . A 88 GLY CA . 17902 1 965 . 1 1 88 88 GLY N N 15 118.300 0.029 . 1 . . . A 88 GLY N . 17902 1 966 . 1 1 89 89 TRP H H 1 9.872 0.007 . 1 . . . A 89 TRP H . 17902 1 967 . 1 1 89 89 TRP HA H 1 4.512 0.006 . 1 . . . A 89 TRP HA . 17902 1 968 . 1 1 89 89 TRP HB2 H 1 3.615 0.004 . 2 . . . A 89 TRP HB2 . 17902 1 969 . 1 1 89 89 TRP HB3 H 1 3.002 0.012 . 2 . . . A 89 TRP HB3 . 17902 1 970 . 1 1 89 89 TRP HD1 H 1 7.556 0.009 . 1 . . . A 89 TRP HD1 . 17902 1 971 . 1 1 89 89 TRP HE1 H 1 10.575 0.007 . 1 . . . A 89 TRP HE1 . 17902 1 972 . 1 1 89 89 TRP HE3 H 1 7.349 0.015 . 1 . . . A 89 TRP HE3 . 17902 1 973 . 1 1 89 89 TRP HZ2 H 1 7.393 0.006 . 1 . . . A 89 TRP HZ2 . 17902 1 974 . 1 1 89 89 TRP HZ3 H 1 7.202 0.012 . 1 . . . A 89 TRP HZ3 . 17902 1 975 . 1 1 89 89 TRP HH2 H 1 7.128 0.011 . 1 . . . A 89 TRP HH2 . 17902 1 976 . 1 1 89 89 TRP C C 13 176.074 0.100 . 1 . . . A 89 TRP C . 17902 1 977 . 1 1 89 89 TRP CA C 13 56.162 0.179 . 1 . . . A 89 TRP CA . 17902 1 978 . 1 1 89 89 TRP CB C 13 30.349 0.102 . 1 . . . A 89 TRP CB . 17902 1 979 . 1 1 89 89 TRP CD1 C 13 122.926 0.055 . 1 . . . A 89 TRP CD1 . 17902 1 980 . 1 1 89 89 TRP CE3 C 13 120.336 0.166 . 1 . . . A 89 TRP CE3 . 17902 1 981 . 1 1 89 89 TRP CZ2 C 13 114.251 0.030 . 1 . . . A 89 TRP CZ2 . 17902 1 982 . 1 1 89 89 TRP CZ3 C 13 121.543 0.069 . 1 . . . A 89 TRP CZ3 . 17902 1 983 . 1 1 89 89 TRP CH2 C 13 126.067 0.039 . 1 . . . A 89 TRP CH2 . 17902 1 984 . 1 1 89 89 TRP N N 15 126.107 0.045 . 1 . . . A 89 TRP N . 17902 1 985 . 1 1 89 89 TRP NE1 N 15 127.325 0.026 . 1 . . . A 89 TRP NE1 . 17902 1 986 . 1 1 90 90 GLY H H 1 8.953 0.007 . 1 . . . A 90 GLY H . 17902 1 987 . 1 1 90 90 GLY HA2 H 1 4.275 0.011 . 2 . . . A 90 GLY HA2 . 17902 1 988 . 1 1 90 90 GLY HA3 H 1 3.758 0.018 . 2 . . . A 90 GLY HA3 . 17902 1 989 . 1 1 90 90 GLY C C 13 174.246 0.100 . 1 . . . A 90 GLY C . 17902 1 990 . 1 1 90 90 GLY CA C 13 45.360 0.044 . 1 . . . A 90 GLY CA . 17902 1 991 . 1 1 90 90 GLY N N 15 115.792 0.049 . 1 . . . A 90 GLY N . 17902 1 992 . 1 1 91 91 ALA H H 1 8.361 0.006 . 1 . . . A 91 ALA H . 17902 1 993 . 1 1 91 91 ALA HA H 1 4.231 0.009 . 1 . . . A 91 ALA HA . 17902 1 994 . 1 1 91 91 ALA HB1 H 1 1.397 0.007 . 1 . . . A 91 ALA HB1 . 17902 1 995 . 1 1 91 91 ALA HB2 H 1 1.397 0.007 . 1 . . . A 91 ALA HB2 . 17902 1 996 . 1 1 91 91 ALA HB3 H 1 1.397 0.007 . 1 . . . A 91 ALA HB3 . 17902 1 997 . 1 1 91 91 ALA C C 13 178.553 0.100 . 1 . . . A 91 ALA C . 17902 1 998 . 1 1 91 91 ALA CA C 13 53.493 0.046 . 1 . . . A 91 ALA CA . 17902 1 999 . 1 1 91 91 ALA CB C 13 18.327 0.034 . 1 . . . A 91 ALA CB . 17902 1 1000 . 1 1 91 91 ALA N N 15 123.941 0.028 . 1 . . . A 91 ALA N . 17902 1 1001 . 1 1 92 92 GLY H H 1 8.814 0.006 . 1 . . . A 92 GLY H . 17902 1 1002 . 1 1 92 92 GLY HA2 H 1 4.064 0.014 . 2 . . . A 92 GLY HA2 . 17902 1 1003 . 1 1 92 92 GLY HA3 H 1 3.802 0.011 . 2 . . . A 92 GLY HA3 . 17902 1 1004 . 1 1 92 92 GLY C C 13 174.443 0.100 . 1 . . . A 92 GLY C . 17902 1 1005 . 1 1 92 92 GLY CA C 13 45.222 0.051 . 1 . . . A 92 GLY CA . 17902 1 1006 . 1 1 92 92 GLY N N 15 109.115 0.029 . 1 . . . A 92 GLY N . 17902 1 1007 . 1 1 93 93 ASN H H 1 8.623 0.006 . 1 . . . A 93 ASN H . 17902 1 1008 . 1 1 93 93 ASN HA H 1 4.417 0.009 . 1 . . . A 93 ASN HA . 17902 1 1009 . 1 1 93 93 ASN HB2 H 1 3.605 0.009 . 2 . . . A 93 ASN HB2 . 17902 1 1010 . 1 1 93 93 ASN HB3 H 1 3.365 0.009 . 2 . . . A 93 ASN HB3 . 17902 1 1011 . 1 1 93 93 ASN HD21 H 1 7.180 0.004 . 2 . . . A 93 ASN HD21 . 17902 1 1012 . 1 1 93 93 ASN HD22 H 1 7.836 0.006 . 2 . . . A 93 ASN HD22 . 17902 1 1013 . 1 1 93 93 ASN C C 13 172.621 0.100 . 1 . . . A 93 ASN C . 17902 1 1014 . 1 1 93 93 ASN CA C 13 55.183 0.084 . 1 . . . A 93 ASN CA . 17902 1 1015 . 1 1 93 93 ASN CB C 13 36.270 0.064 . 1 . . . A 93 ASN CB . 17902 1 1016 . 1 1 93 93 ASN CG C 13 179.348 0.017 . 1 . . . A 93 ASN CG . 17902 1 1017 . 1 1 93 93 ASN N N 15 114.247 0.040 . 1 . . . A 93 ASN N . 17902 1 1018 . 1 1 93 93 ASN ND2 N 15 116.028 0.058 . 1 . . . A 93 ASN ND2 . 17902 1 1019 . 1 1 94 94 VAL H H 1 6.953 0.007 . 1 . . . A 94 VAL H . 17902 1 1020 . 1 1 94 94 VAL HA H 1 5.100 0.006 . 1 . . . A 94 VAL HA . 17902 1 1021 . 1 1 94 94 VAL HB H 1 2.032 0.004 . 1 . . . A 94 VAL HB . 17902 1 1022 . 1 1 94 94 VAL HG11 H 1 0.704 0.007 . 1 . . . A 94 VAL HG11 . 17902 1 1023 . 1 1 94 94 VAL HG12 H 1 0.704 0.007 . 1 . . . A 94 VAL HG12 . 17902 1 1024 . 1 1 94 94 VAL HG13 H 1 0.704 0.007 . 1 . . . A 94 VAL HG13 . 17902 1 1025 . 1 1 94 94 VAL HG21 H 1 0.952 0.005 . 1 . . . A 94 VAL HG21 . 17902 1 1026 . 1 1 94 94 VAL HG22 H 1 0.952 0.005 . 1 . . . A 94 VAL HG22 . 17902 1 1027 . 1 1 94 94 VAL HG23 H 1 0.952 0.005 . 1 . . . A 94 VAL HG23 . 17902 1 1028 . 1 1 94 94 VAL CA C 13 56.702 0.062 . 1 . . . A 94 VAL CA . 17902 1 1029 . 1 1 94 94 VAL CB C 13 34.101 0.039 . 1 . . . A 94 VAL CB . 17902 1 1030 . 1 1 94 94 VAL CG1 C 13 18.361 0.032 . 1 . . . A 94 VAL CG1 . 17902 1 1031 . 1 1 94 94 VAL CG2 C 13 21.212 0.022 . 1 . . . A 94 VAL CG2 . 17902 1 1032 . 1 1 94 94 VAL N N 15 112.572 0.033 . 1 . . . A 94 VAL N . 17902 1 1033 . 1 1 95 95 PRO HA H 1 4.885 0.009 . 1 . . . A 95 PRO HA . 17902 1 1034 . 1 1 95 95 PRO HB2 H 1 1.181 0.006 . 2 . . . A 95 PRO HB2 . 17902 1 1035 . 1 1 95 95 PRO HB3 H 1 0.910 0.007 . 2 . . . A 95 PRO HB3 . 17902 1 1036 . 1 1 95 95 PRO HG2 H 1 0.404 0.017 . 2 . . . A 95 PRO HG2 . 17902 1 1037 . 1 1 95 95 PRO HG3 H 1 -0.185 0.011 . 2 . . . A 95 PRO HG3 . 17902 1 1038 . 1 1 95 95 PRO HD2 H 1 3.311 0.007 . 2 . . . A 95 PRO HD2 . 17902 1 1039 . 1 1 95 95 PRO HD3 H 1 3.209 0.009 . 2 . . . A 95 PRO HD3 . 17902 1 1040 . 1 1 95 95 PRO C C 13 176.117 0.100 . 1 . . . A 95 PRO C . 17902 1 1041 . 1 1 95 95 PRO CA C 13 61.249 0.102 . 1 . . . A 95 PRO CA . 17902 1 1042 . 1 1 95 95 PRO CB C 13 30.763 0.044 . 1 . . . A 95 PRO CB . 17902 1 1043 . 1 1 95 95 PRO CG C 13 25.706 0.030 . 1 . . . A 95 PRO CG . 17902 1 1044 . 1 1 95 95 PRO CD C 13 50.435 0.061 . 1 . . . A 95 PRO CD . 17902 1 1045 . 1 1 96 96 VAL H H 1 8.228 0.009 . 1 . . . A 96 VAL H . 17902 1 1046 . 1 1 96 96 VAL HA H 1 4.724 0.014 . 1 . . . A 96 VAL HA . 17902 1 1047 . 1 1 96 96 VAL HB H 1 1.636 0.006 . 1 . . . A 96 VAL HB . 17902 1 1048 . 1 1 96 96 VAL HG11 H 1 0.689 0.004 . 1 . . . A 96 VAL HG11 . 17902 1 1049 . 1 1 96 96 VAL HG12 H 1 0.689 0.004 . 1 . . . A 96 VAL HG12 . 17902 1 1050 . 1 1 96 96 VAL HG13 H 1 0.689 0.004 . 1 . . . A 96 VAL HG13 . 17902 1 1051 . 1 1 96 96 VAL HG21 H 1 0.668 0.006 . 1 . . . A 96 VAL HG21 . 17902 1 1052 . 1 1 96 96 VAL HG22 H 1 0.668 0.006 . 1 . . . A 96 VAL HG22 . 17902 1 1053 . 1 1 96 96 VAL HG23 H 1 0.668 0.006 . 1 . . . A 96 VAL HG23 . 17902 1 1054 . 1 1 96 96 VAL C C 13 173.693 0.100 . 1 . . . A 96 VAL C . 17902 1 1055 . 1 1 96 96 VAL CA C 13 58.947 0.031 . 1 . . . A 96 VAL CA . 17902 1 1056 . 1 1 96 96 VAL CB C 13 37.392 0.094 . 1 . . . A 96 VAL CB . 17902 1 1057 . 1 1 96 96 VAL CG1 C 13 21.420 0.015 . 1 . . . A 96 VAL CG1 . 17902 1 1058 . 1 1 96 96 VAL CG2 C 13 17.109 0.125 . 1 . . . A 96 VAL CG2 . 17902 1 1059 . 1 1 96 96 VAL N N 15 113.170 0.028 . 1 . . . A 96 VAL N . 17902 1 1060 . 1 1 97 97 VAL H H 1 8.900 0.015 . 1 . . . A 97 VAL H . 17902 1 1061 . 1 1 97 97 VAL HA H 1 4.662 0.006 . 1 . . . A 97 VAL HA . 17902 1 1062 . 1 1 97 97 VAL HB H 1 2.429 0.006 . 1 . . . A 97 VAL HB . 17902 1 1063 . 1 1 97 97 VAL HG11 H 1 1.078 0.005 . 1 . . . A 97 VAL HG11 . 17902 1 1064 . 1 1 97 97 VAL HG12 H 1 1.078 0.005 . 1 . . . A 97 VAL HG12 . 17902 1 1065 . 1 1 97 97 VAL HG13 H 1 1.078 0.005 . 1 . . . A 97 VAL HG13 . 17902 1 1066 . 1 1 97 97 VAL HG21 H 1 1.251 0.007 . 1 . . . A 97 VAL HG21 . 17902 1 1067 . 1 1 97 97 VAL HG22 H 1 1.251 0.007 . 1 . . . A 97 VAL HG22 . 17902 1 1068 . 1 1 97 97 VAL HG23 H 1 1.251 0.007 . 1 . . . A 97 VAL HG23 . 17902 1 1069 . 1 1 97 97 VAL C C 13 174.817 0.100 . 1 . . . A 97 VAL C . 17902 1 1070 . 1 1 97 97 VAL CA C 13 63.524 0.062 . 1 . . . A 97 VAL CA . 17902 1 1071 . 1 1 97 97 VAL CB C 13 31.364 0.092 . 1 . . . A 97 VAL CB . 17902 1 1072 . 1 1 97 97 VAL CG1 C 13 23.790 0.048 . 1 . . . A 97 VAL CG1 . 17902 1 1073 . 1 1 97 97 VAL CG2 C 13 23.253 0.030 . 1 . . . A 97 VAL CG2 . 17902 1 1074 . 1 1 97 97 VAL N N 15 122.149 0.039 . 1 . . . A 97 VAL N . 17902 1 1075 . 1 1 98 98 LEU H H 1 9.327 0.010 . 1 . . . A 98 LEU H . 17902 1 1076 . 1 1 98 98 LEU HA H 1 5.052 0.006 . 1 . . . A 98 LEU HA . 17902 1 1077 . 1 1 98 98 LEU HB2 H 1 1.835 0.011 . 2 . . . A 98 LEU HB2 . 17902 1 1078 . 1 1 98 98 LEU HB3 H 1 1.691 0.007 . 2 . . . A 98 LEU HB3 . 17902 1 1079 . 1 1 98 98 LEU HG H 1 1.472 0.008 . 1 . . . A 98 LEU HG . 17902 1 1080 . 1 1 98 98 LEU HD11 H 1 0.518 0.009 . 1 . . . A 98 LEU HD11 . 17902 1 1081 . 1 1 98 98 LEU HD12 H 1 0.518 0.009 . 1 . . . A 98 LEU HD12 . 17902 1 1082 . 1 1 98 98 LEU HD13 H 1 0.518 0.009 . 1 . . . A 98 LEU HD13 . 17902 1 1083 . 1 1 98 98 LEU HD21 H 1 0.995 0.010 . 1 . . . A 98 LEU HD21 . 17902 1 1084 . 1 1 98 98 LEU HD22 H 1 0.995 0.010 . 1 . . . A 98 LEU HD22 . 17902 1 1085 . 1 1 98 98 LEU HD23 H 1 0.995 0.010 . 1 . . . A 98 LEU HD23 . 17902 1 1086 . 1 1 98 98 LEU CA C 13 52.739 0.029 . 1 . . . A 98 LEU CA . 17902 1 1087 . 1 1 98 98 LEU CB C 13 46.171 0.066 . 1 . . . A 98 LEU CB . 17902 1 1088 . 1 1 98 98 LEU CG C 13 26.989 0.111 . 1 . . . A 98 LEU CG . 17902 1 1089 . 1 1 98 98 LEU CD1 C 13 25.905 0.072 . 1 . . . A 98 LEU CD1 . 17902 1 1090 . 1 1 98 98 LEU CD2 C 13 23.225 0.042 . 1 . . . A 98 LEU CD2 . 17902 1 1091 . 1 1 98 98 LEU N N 15 129.879 0.043 . 1 . . . A 98 LEU N . 17902 1 1092 . 1 1 99 99 PRO HA H 1 4.774 0.006 . 1 . . . A 99 PRO HA . 17902 1 1093 . 1 1 99 99 PRO HB2 H 1 2.549 0.005 . 2 . . . A 99 PRO HB2 . 17902 1 1094 . 1 1 99 99 PRO HB3 H 1 1.823 0.005 . 2 . . . A 99 PRO HB3 . 17902 1 1095 . 1 1 99 99 PRO HG2 H 1 2.195 0.008 . 2 . . . A 99 PRO HG2 . 17902 1 1096 . 1 1 99 99 PRO HD2 H 1 3.759 0.012 . 2 . . . A 99 PRO HD2 . 17902 1 1097 . 1 1 99 99 PRO HD3 H 1 3.677 0.009 . 2 . . . A 99 PRO HD3 . 17902 1 1098 . 1 1 99 99 PRO CA C 13 61.511 0.041 . 1 . . . A 99 PRO CA . 17902 1 1099 . 1 1 99 99 PRO CB C 13 30.469 0.019 . 1 . . . A 99 PRO CB . 17902 1 1100 . 1 1 99 99 PRO CG C 13 28.250 0.084 . 1 . . . A 99 PRO CG . 17902 1 1101 . 1 1 99 99 PRO CD C 13 50.535 0.041 . 1 . . . A 99 PRO CD . 17902 1 1102 . 1 1 100 100 PRO HA H 1 3.943 0.006 . 1 . . . A 100 PRO HA . 17902 1 1103 . 1 1 100 100 PRO HB2 H 1 2.331 0.005 . 2 . . . A 100 PRO HB2 . 17902 1 1104 . 1 1 100 100 PRO HB3 H 1 2.051 0.007 . 2 . . . A 100 PRO HB3 . 17902 1 1105 . 1 1 100 100 PRO HG2 H 1 2.111 0.013 . 2 . . . A 100 PRO HG2 . 17902 1 1106 . 1 1 100 100 PRO HG3 H 1 1.971 0.008 . 2 . . . A 100 PRO HG3 . 17902 1 1107 . 1 1 100 100 PRO HD2 H 1 3.763 0.011 . 2 . . . A 100 PRO HD2 . 17902 1 1108 . 1 1 100 100 PRO HD3 H 1 3.628 0.016 . 2 . . . A 100 PRO HD3 . 17902 1 1109 . 1 1 100 100 PRO C C 13 177.238 0.100 . 1 . . . A 100 PRO C . 17902 1 1110 . 1 1 100 100 PRO CA C 13 63.927 0.051 . 1 . . . A 100 PRO CA . 17902 1 1111 . 1 1 100 100 PRO CB C 13 32.376 0.055 . 1 . . . A 100 PRO CB . 17902 1 1112 . 1 1 100 100 PRO CG C 13 28.194 0.102 . 1 . . . A 100 PRO CG . 17902 1 1113 . 1 1 100 100 PRO CD C 13 50.103 0.010 . 1 . . . A 100 PRO CD . 17902 1 1114 . 1 1 101 101 ASN H H 1 6.971 0.007 . 1 . . . A 101 ASN H . 17902 1 1115 . 1 1 101 101 ASN HA H 1 4.476 0.005 . 1 . . . A 101 ASN HA . 17902 1 1116 . 1 1 101 101 ASN HB2 H 1 2.353 0.007 . 2 . . . A 101 ASN HB2 . 17902 1 1117 . 1 1 101 101 ASN HB3 H 1 2.002 0.013 . 2 . . . A 101 ASN HB3 . 17902 1 1118 . 1 1 101 101 ASN HD21 H 1 6.449 0.006 . 2 . . . A 101 ASN HD21 . 17902 1 1119 . 1 1 101 101 ASN HD22 H 1 6.645 0.006 . 2 . . . A 101 ASN HD22 . 17902 1 1120 . 1 1 101 101 ASN C C 13 170.708 0.100 . 1 . . . A 101 ASN C . 17902 1 1121 . 1 1 101 101 ASN CA C 13 53.024 0.062 . 1 . . . A 101 ASN CA . 17902 1 1122 . 1 1 101 101 ASN CB C 13 37.551 0.046 . 1 . . . A 101 ASN CB . 17902 1 1123 . 1 1 101 101 ASN CG C 13 178.180 0.031 . 1 . . . A 101 ASN CG . 17902 1 1124 . 1 1 101 101 ASN N N 15 118.409 0.041 . 1 . . . A 101 ASN N . 17902 1 1125 . 1 1 101 101 ASN ND2 N 15 108.160 0.044 . 1 . . . A 101 ASN ND2 . 17902 1 1126 . 1 1 102 102 ASN H H 1 7.970 0.006 . 1 . . . A 102 ASN H . 17902 1 1127 . 1 1 102 102 ASN HA H 1 3.787 0.011 . 1 . . . A 102 ASN HA . 17902 1 1128 . 1 1 102 102 ASN HB2 H 1 2.601 0.013 . 2 . . . A 102 ASN HB2 . 17902 1 1129 . 1 1 102 102 ASN HB3 H 1 2.323 0.016 . 2 . . . A 102 ASN HB3 . 17902 1 1130 . 1 1 102 102 ASN HD21 H 1 6.951 0.005 . 2 . . . A 102 ASN HD21 . 17902 1 1131 . 1 1 102 102 ASN HD22 H 1 7.002 0.009 . 2 . . . A 102 ASN HD22 . 17902 1 1132 . 1 1 102 102 ASN C C 13 173.806 0.100 . 1 . . . A 102 ASN C . 17902 1 1133 . 1 1 102 102 ASN CA C 13 54.087 0.095 . 1 . . . A 102 ASN CA . 17902 1 1134 . 1 1 102 102 ASN CB C 13 37.185 0.098 . 1 . . . A 102 ASN CB . 17902 1 1135 . 1 1 102 102 ASN CG C 13 177.576 0.026 . 1 . . . A 102 ASN CG . 17902 1 1136 . 1 1 102 102 ASN N N 15 112.776 0.022 . 1 . . . A 102 ASN N . 17902 1 1137 . 1 1 102 102 ASN ND2 N 15 114.698 0.058 . 1 . . . A 102 ASN ND2 . 17902 1 1138 . 1 1 103 103 TYR H H 1 7.765 0.007 . 1 . . . A 103 TYR H . 17902 1 1139 . 1 1 103 103 TYR HA H 1 4.543 0.008 . 1 . . . A 103 TYR HA . 17902 1 1140 . 1 1 103 103 TYR HB2 H 1 3.145 0.012 . 2 . . . A 103 TYR HB2 . 17902 1 1141 . 1 1 103 103 TYR HB3 H 1 2.876 0.010 . 2 . . . A 103 TYR HB3 . 17902 1 1142 . 1 1 103 103 TYR HD1 H 1 7.159 0.010 . 3 . . . A 103 TYR HD1 . 17902 1 1143 . 1 1 103 103 TYR HD2 H 1 7.159 0.010 . 3 . . . A 103 TYR HD2 . 17902 1 1144 . 1 1 103 103 TYR HE1 H 1 6.623 0.010 . 3 . . . A 103 TYR HE1 . 17902 1 1145 . 1 1 103 103 TYR HE2 H 1 6.623 0.010 . 3 . . . A 103 TYR HE2 . 17902 1 1146 . 1 1 103 103 TYR C C 13 175.661 0.100 . 1 . . . A 103 TYR C . 17902 1 1147 . 1 1 103 103 TYR CA C 13 57.839 0.049 . 1 . . . A 103 TYR CA . 17902 1 1148 . 1 1 103 103 TYR CB C 13 38.096 0.119 . 1 . . . A 103 TYR CB . 17902 1 1149 . 1 1 103 103 TYR CD2 C 13 133.019 0.137 . 3 . . . A 103 TYR CD2 . 17902 1 1150 . 1 1 103 103 TYR N N 15 119.975 0.027 . 1 . . . A 103 TYR N . 17902 1 1151 . 1 1 104 104 VAL H H 1 7.325 0.007 . 1 . . . A 104 VAL H . 17902 1 1152 . 1 1 104 104 VAL HA H 1 5.177 0.012 . 1 . . . A 104 VAL HA . 17902 1 1153 . 1 1 104 104 VAL HB H 1 1.703 0.010 . 1 . . . A 104 VAL HB . 17902 1 1154 . 1 1 104 104 VAL HG11 H 1 0.367 0.013 . 1 . . . A 104 VAL HG11 . 17902 1 1155 . 1 1 104 104 VAL HG12 H 1 0.367 0.013 . 1 . . . A 104 VAL HG12 . 17902 1 1156 . 1 1 104 104 VAL HG13 H 1 0.367 0.013 . 1 . . . A 104 VAL HG13 . 17902 1 1157 . 1 1 104 104 VAL HG21 H 1 -0.045 0.010 . 1 . . . A 104 VAL HG21 . 17902 1 1158 . 1 1 104 104 VAL HG22 H 1 -0.045 0.010 . 1 . . . A 104 VAL HG22 . 17902 1 1159 . 1 1 104 104 VAL HG23 H 1 -0.045 0.010 . 1 . . . A 104 VAL HG23 . 17902 1 1160 . 1 1 104 104 VAL C C 13 172.244 0.100 . 1 . . . A 104 VAL C . 17902 1 1161 . 1 1 104 104 VAL CA C 13 57.607 0.059 . 1 . . . A 104 VAL CA . 17902 1 1162 . 1 1 104 104 VAL CB C 13 35.973 0.080 . 1 . . . A 104 VAL CB . 17902 1 1163 . 1 1 104 104 VAL CG1 C 13 18.145 0.121 . 1 . . . A 104 VAL CG1 . 17902 1 1164 . 1 1 104 104 VAL CG2 C 13 19.589 0.299 . 1 . . . A 104 VAL CG2 . 17902 1 1165 . 1 1 104 104 VAL N N 15 115.353 0.029 . 1 . . . A 104 VAL N . 17902 1 1166 . 1 1 105 105 TRP H H 1 8.835 0.009 . 1 . . . A 105 TRP H . 17902 1 1167 . 1 1 105 105 TRP HA H 1 4.827 0.009 . 1 . . . A 105 TRP HA . 17902 1 1168 . 1 1 105 105 TRP HB2 H 1 3.055 0.008 . 2 . . . A 105 TRP HB2 . 17902 1 1169 . 1 1 105 105 TRP HB3 H 1 2.114 0.010 . 2 . . . A 105 TRP HB3 . 17902 1 1170 . 1 1 105 105 TRP HD1 H 1 7.165 0.005 . 1 . . . A 105 TRP HD1 . 17902 1 1171 . 1 1 105 105 TRP HE1 H 1 9.715 0.006 . 1 . . . A 105 TRP HE1 . 17902 1 1172 . 1 1 105 105 TRP HE3 H 1 7.600 0.006 . 1 . . . A 105 TRP HE3 . 17902 1 1173 . 1 1 105 105 TRP HZ2 H 1 6.924 0.009 . 1 . . . A 105 TRP HZ2 . 17902 1 1174 . 1 1 105 105 TRP HZ3 H 1 6.463 0.004 . 1 . . . A 105 TRP HZ3 . 17902 1 1175 . 1 1 105 105 TRP HH2 H 1 6.663 0.005 . 1 . . . A 105 TRP HH2 . 17902 1 1176 . 1 1 105 105 TRP C C 13 175.772 0.100 . 1 . . . A 105 TRP C . 17902 1 1177 . 1 1 105 105 TRP CA C 13 54.765 0.065 . 1 . . . A 105 TRP CA . 17902 1 1178 . 1 1 105 105 TRP CB C 13 32.498 0.078 . 1 . . . A 105 TRP CB . 17902 1 1179 . 1 1 105 105 TRP CD1 C 13 128.376 0.025 . 1 . . . A 105 TRP CD1 . 17902 1 1180 . 1 1 105 105 TRP CE3 C 13 123.025 0.114 . 1 . . . A 105 TRP CE3 . 17902 1 1181 . 1 1 105 105 TRP CZ2 C 13 113.161 0.088 . 1 . . . A 105 TRP CZ2 . 17902 1 1182 . 1 1 105 105 TRP CZ3 C 13 117.874 0.112 . 1 . . . A 105 TRP CZ3 . 17902 1 1183 . 1 1 105 105 TRP CH2 C 13 123.244 0.032 . 1 . . . A 105 TRP CH2 . 17902 1 1184 . 1 1 105 105 TRP N N 15 118.723 0.036 . 1 . . . A 105 TRP N . 17902 1 1185 . 1 1 105 105 TRP NE1 N 15 127.408 0.035 . 1 . . . A 105 TRP NE1 . 17902 1 1186 . 1 1 106 106 THR H H 1 9.571 0.009 . 1 . . . A 106 THR H . 17902 1 1187 . 1 1 106 106 THR HA H 1 4.883 0.005 . 1 . . . A 106 THR HA . 17902 1 1188 . 1 1 106 106 THR HB H 1 4.010 0.004 . 1 . . . A 106 THR HB . 17902 1 1189 . 1 1 106 106 THR HG21 H 1 1.283 0.005 . 1 . . . A 106 THR HG21 . 17902 1 1190 . 1 1 106 106 THR HG22 H 1 1.283 0.005 . 1 . . . A 106 THR HG22 . 17902 1 1191 . 1 1 106 106 THR HG23 H 1 1.283 0.005 . 1 . . . A 106 THR HG23 . 17902 1 1192 . 1 1 106 106 THR C C 13 174.459 0.100 . 1 . . . A 106 THR C . 17902 1 1193 . 1 1 106 106 THR CA C 13 62.125 0.071 . 1 . . . A 106 THR CA . 17902 1 1194 . 1 1 106 106 THR CB C 13 69.467 0.098 . 1 . . . A 106 THR CB . 17902 1 1195 . 1 1 106 106 THR CG2 C 13 22.646 0.031 . 1 . . . A 106 THR CG2 . 17902 1 1196 . 1 1 106 106 THR N N 15 121.468 0.031 . 1 . . . A 106 THR N . 17902 1 1197 . 1 1 107 107 LEU H H 1 7.619 0.009 . 1 . . . A 107 LEU H . 17902 1 1198 . 1 1 107 107 LEU HA H 1 4.822 0.008 . 1 . . . A 107 LEU HA . 17902 1 1199 . 1 1 107 107 LEU HB2 H 1 1.367 0.008 . 2 . . . A 107 LEU HB2 . 17902 1 1200 . 1 1 107 107 LEU HB3 H 1 0.722 0.004 . 2 . . . A 107 LEU HB3 . 17902 1 1201 . 1 1 107 107 LEU HG H 1 1.134 0.006 . 1 . . . A 107 LEU HG . 17902 1 1202 . 1 1 107 107 LEU HD11 H 1 -0.157 0.006 . 1 . . . A 107 LEU HD11 . 17902 1 1203 . 1 1 107 107 LEU HD12 H 1 -0.157 0.006 . 1 . . . A 107 LEU HD12 . 17902 1 1204 . 1 1 107 107 LEU HD13 H 1 -0.157 0.006 . 1 . . . A 107 LEU HD13 . 17902 1 1205 . 1 1 107 107 LEU HD21 H 1 -0.026 0.006 . 1 . . . A 107 LEU HD21 . 17902 1 1206 . 1 1 107 107 LEU HD22 H 1 -0.026 0.006 . 1 . . . A 107 LEU HD22 . 17902 1 1207 . 1 1 107 107 LEU HD23 H 1 -0.026 0.006 . 1 . . . A 107 LEU HD23 . 17902 1 1208 . 1 1 107 107 LEU C C 13 175.229 0.100 . 1 . . . A 107 LEU C . 17902 1 1209 . 1 1 107 107 LEU CA C 13 53.582 0.107 . 1 . . . A 107 LEU CA . 17902 1 1210 . 1 1 107 107 LEU CB C 13 41.399 0.064 . 1 . . . A 107 LEU CB . 17902 1 1211 . 1 1 107 107 LEU CG C 13 27.638 0.019 . 1 . . . A 107 LEU CG . 17902 1 1212 . 1 1 107 107 LEU CD1 C 13 24.612 0.017 . 1 . . . A 107 LEU CD1 . 17902 1 1213 . 1 1 107 107 LEU CD2 C 13 25.450 0.009 . 1 . . . A 107 LEU CD2 . 17902 1 1214 . 1 1 107 107 LEU N N 15 127.098 0.025 . 1 . . . A 107 LEU N . 17902 1 1215 . 1 1 108 108 THR H H 1 8.068 0.008 . 1 . . . A 108 THR H . 17902 1 1216 . 1 1 108 108 THR HA H 1 4.386 0.006 . 1 . . . A 108 THR HA . 17902 1 1217 . 1 1 108 108 THR HB H 1 4.057 0.007 . 1 . . . A 108 THR HB . 17902 1 1218 . 1 1 108 108 THR HG21 H 1 1.111 0.006 . 1 . . . A 108 THR HG21 . 17902 1 1219 . 1 1 108 108 THR HG22 H 1 1.111 0.006 . 1 . . . A 108 THR HG22 . 17902 1 1220 . 1 1 108 108 THR HG23 H 1 1.111 0.006 . 1 . . . A 108 THR HG23 . 17902 1 1221 . 1 1 108 108 THR C C 13 173.286 0.100 . 1 . . . A 108 THR C . 17902 1 1222 . 1 1 108 108 THR CA C 13 62.217 0.121 . 1 . . . A 108 THR CA . 17902 1 1223 . 1 1 108 108 THR CB C 13 70.076 0.031 . 1 . . . A 108 THR CB . 17902 1 1224 . 1 1 108 108 THR CG2 C 13 21.692 0.015 . 1 . . . A 108 THR CG2 . 17902 1 1225 . 1 1 108 108 THR N N 15 119.647 0.040 . 1 . . . A 108 THR N . 17902 1 1226 . 1 1 109 109 LEU H H 1 8.900 0.006 . 1 . . . A 109 LEU H . 17902 1 1227 . 1 1 109 109 LEU HA H 1 3.510 0.006 . 1 . . . A 109 LEU HA . 17902 1 1228 . 1 1 109 109 LEU HB2 H 1 1.662 0.005 . 2 . . . A 109 LEU HB2 . 17902 1 1229 . 1 1 109 109 LEU HB3 H 1 0.863 0.003 . 2 . . . A 109 LEU HB3 . 17902 1 1230 . 1 1 109 109 LEU HG H 1 1.111 0.007 . 1 . . . A 109 LEU HG . 17902 1 1231 . 1 1 109 109 LEU HD11 H 1 0.730 0.007 . 1 . . . A 109 LEU HD11 . 17902 1 1232 . 1 1 109 109 LEU HD12 H 1 0.730 0.007 . 1 . . . A 109 LEU HD12 . 17902 1 1233 . 1 1 109 109 LEU HD13 H 1 0.730 0.007 . 1 . . . A 109 LEU HD13 . 17902 1 1234 . 1 1 109 109 LEU HD21 H 1 0.191 0.006 . 1 . . . A 109 LEU HD21 . 17902 1 1235 . 1 1 109 109 LEU HD22 H 1 0.191 0.006 . 1 . . . A 109 LEU HD22 . 17902 1 1236 . 1 1 109 109 LEU HD23 H 1 0.191 0.006 . 1 . . . A 109 LEU HD23 . 17902 1 1237 . 1 1 109 109 LEU C C 13 175.179 0.100 . 1 . . . A 109 LEU C . 17902 1 1238 . 1 1 109 109 LEU CA C 13 55.277 0.084 . 1 . . . A 109 LEU CA . 17902 1 1239 . 1 1 109 109 LEU CB C 13 40.598 0.064 . 1 . . . A 109 LEU CB . 17902 1 1240 . 1 1 109 109 LEU CG C 13 26.345 0.131 . 1 . . . A 109 LEU CG . 17902 1 1241 . 1 1 109 109 LEU CD1 C 13 25.896 0.037 . 1 . . . A 109 LEU CD1 . 17902 1 1242 . 1 1 109 109 LEU CD2 C 13 21.371 0.018 . 1 . . . A 109 LEU CD2 . 17902 1 1243 . 1 1 109 109 LEU N N 15 130.409 0.022 . 1 . . . A 109 LEU N . 17902 1 1244 . 1 1 110 110 THR H H 1 7.665 0.007 . 1 . . . A 110 THR H . 17902 1 1245 . 1 1 110 110 THR HA H 1 4.894 0.006 . 1 . . . A 110 THR HA . 17902 1 1246 . 1 1 110 110 THR HB H 1 4.556 0.006 . 1 . . . A 110 THR HB . 17902 1 1247 . 1 1 110 110 THR HG21 H 1 1.179 0.006 . 1 . . . A 110 THR HG21 . 17902 1 1248 . 1 1 110 110 THR HG22 H 1 1.179 0.006 . 1 . . . A 110 THR HG22 . 17902 1 1249 . 1 1 110 110 THR HG23 H 1 1.179 0.006 . 1 . . . A 110 THR HG23 . 17902 1 1250 . 1 1 110 110 THR C C 13 176.376 0.100 . 1 . . . A 110 THR C . 17902 1 1251 . 1 1 110 110 THR CA C 13 60.103 0.099 . 1 . . . A 110 THR CA . 17902 1 1252 . 1 1 110 110 THR CB C 13 72.953 0.090 . 1 . . . A 110 THR CB . 17902 1 1253 . 1 1 110 110 THR CG2 C 13 21.521 0.014 . 1 . . . A 110 THR CG2 . 17902 1 1254 . 1 1 110 110 THR N N 15 120.205 0.054 . 1 . . . A 110 THR N . 17902 1 1255 . 1 1 111 111 SER H H 1 9.133 0.004 . 1 . . . A 111 SER H . 17902 1 1256 . 1 1 111 111 SER HA H 1 4.190 0.005 . 1 . . . A 111 SER HA . 17902 1 1257 . 1 1 111 111 SER HB2 H 1 3.959 0.008 . 1 . . . A 111 SER HB2 . 17902 1 1258 . 1 1 111 111 SER HB3 H 1 3.959 0.008 . 1 . . . A 111 SER HB3 . 17902 1 1259 . 1 1 111 111 SER C C 13 174.720 0.100 . 1 . . . A 111 SER C . 17902 1 1260 . 1 1 111 111 SER CA C 13 60.745 0.075 . 1 . . . A 111 SER CA . 17902 1 1261 . 1 1 111 111 SER CB C 13 62.659 0.047 . 1 . . . A 111 SER CB . 17902 1 1262 . 1 1 111 111 SER N N 15 117.022 0.036 . 1 . . . A 111 SER N . 17902 1 1263 . 1 1 112 112 GLY H H 1 8.239 0.008 . 1 . . . A 112 GLY H . 17902 1 1264 . 1 1 112 112 GLY HA2 H 1 4.375 0.008 . 2 . . . A 112 GLY HA2 . 17902 1 1265 . 1 1 112 112 GLY HA3 H 1 3.676 0.004 . 2 . . . A 112 GLY HA3 . 17902 1 1266 . 1 1 112 112 GLY C C 13 172.942 0.100 . 1 . . . A 112 GLY C . 17902 1 1267 . 1 1 112 112 GLY CA C 13 44.142 0.060 . 1 . . . A 112 GLY CA . 17902 1 1268 . 1 1 112 112 GLY N N 15 107.314 0.036 . 1 . . . A 112 GLY N . 17902 1 1269 . 1 1 113 113 GLY H H 1 7.433 0.007 . 1 . . . A 113 GLY H . 17902 1 1270 . 1 1 113 113 GLY HA2 H 1 4.684 0.008 . 2 . . . A 113 GLY HA2 . 17902 1 1271 . 1 1 113 113 GLY HA3 H 1 3.891 0.006 . 2 . . . A 113 GLY HA3 . 17902 1 1272 . 1 1 113 113 GLY C C 13 175.795 0.100 . 1 . . . A 113 GLY C . 17902 1 1273 . 1 1 113 113 GLY CA C 13 42.724 0.090 . 1 . . . A 113 GLY CA . 17902 1 1274 . 1 1 113 113 GLY N N 15 105.588 0.027 . 1 . . . A 113 GLY N . 17902 1 1275 . 1 1 114 114 TYR H H 1 9.691 0.009 . 1 . . . A 114 TYR H . 17902 1 1276 . 1 1 114 114 TYR HA H 1 4.842 0.007 . 1 . . . A 114 TYR HA . 17902 1 1277 . 1 1 114 114 TYR HB2 H 1 2.787 0.009 . 2 . . . A 114 TYR HB2 . 17902 1 1278 . 1 1 114 114 TYR HB3 H 1 2.183 0.006 . 2 . . . A 114 TYR HB3 . 17902 1 1279 . 1 1 114 114 TYR HD1 H 1 6.700 0.005 . 3 . . . A 114 TYR HD1 . 17902 1 1280 . 1 1 114 114 TYR HD2 H 1 6.700 0.005 . 3 . . . A 114 TYR HD2 . 17902 1 1281 . 1 1 114 114 TYR HE1 H 1 6.650 0.006 . 3 . . . A 114 TYR HE1 . 17902 1 1282 . 1 1 114 114 TYR HE2 H 1 6.650 0.006 . 3 . . . A 114 TYR HE2 . 17902 1 1283 . 1 1 114 114 TYR C C 13 175.587 0.100 . 1 . . . A 114 TYR C . 17902 1 1284 . 1 1 114 114 TYR CA C 13 61.238 0.078 . 1 . . . A 114 TYR CA . 17902 1 1285 . 1 1 114 114 TYR CB C 13 38.793 0.028 . 1 . . . A 114 TYR CB . 17902 1 1286 . 1 1 114 114 TYR CD1 C 13 132.213 0.074 . 3 . . . A 114 TYR CD1 . 17902 1 1287 . 1 1 114 114 TYR CE1 C 13 118.589 0.110 . 3 . . . A 114 TYR CE1 . 17902 1 1288 . 1 1 114 114 TYR N N 15 121.585 0.019 . 1 . . . A 114 TYR N . 17902 1 1289 . 1 1 115 115 ASN H H 1 9.363 0.009 . 1 . . . A 115 ASN H . 17902 1 1290 . 1 1 115 115 ASN HA H 1 5.075 0.007 . 1 . . . A 115 ASN HA . 17902 1 1291 . 1 1 115 115 ASN HB2 H 1 2.971 0.007 . 2 . . . A 115 ASN HB2 . 17902 1 1292 . 1 1 115 115 ASN HB3 H 1 2.249 0.011 . 2 . . . A 115 ASN HB3 . 17902 1 1293 . 1 1 115 115 ASN HD21 H 1 6.667 0.006 . 2 . . . A 115 ASN HD21 . 17902 1 1294 . 1 1 115 115 ASN HD22 H 1 7.266 0.006 . 2 . . . A 115 ASN HD22 . 17902 1 1295 . 1 1 115 115 ASN C C 13 174.239 0.100 . 1 . . . A 115 ASN C . 17902 1 1296 . 1 1 115 115 ASN CA C 13 51.065 0.130 . 1 . . . A 115 ASN CA . 17902 1 1297 . 1 1 115 115 ASN CB C 13 40.542 0.076 . 1 . . . A 115 ASN CB . 17902 1 1298 . 1 1 115 115 ASN CG C 13 174.602 0.081 . 1 . . . A 115 ASN CG . 17902 1 1299 . 1 1 115 115 ASN N N 15 123.303 0.051 . 1 . . . A 115 ASN N . 17902 1 1300 . 1 1 115 115 ASN ND2 N 15 108.027 0.066 . 1 . . . A 115 ASN ND2 . 17902 1 1301 . 1 1 116 116 ILE H H 1 9.468 0.010 . 1 . . . A 116 ILE H . 17902 1 1302 . 1 1 116 116 ILE HA H 1 4.236 0.005 . 1 . . . A 116 ILE HA . 17902 1 1303 . 1 1 116 116 ILE HB H 1 0.473 0.009 . 1 . . . A 116 ILE HB . 17902 1 1304 . 1 1 116 116 ILE HG12 H 1 0.941 0.008 . 2 . . . A 116 ILE HG12 . 17902 1 1305 . 1 1 116 116 ILE HG13 H 1 -0.041 0.008 . 2 . . . A 116 ILE HG13 . 17902 1 1306 . 1 1 116 116 ILE HG21 H 1 -1.468 0.009 . 1 . . . A 116 ILE HG21 . 17902 1 1307 . 1 1 116 116 ILE HG22 H 1 -1.468 0.009 . 1 . . . A 116 ILE HG22 . 17902 1 1308 . 1 1 116 116 ILE HG23 H 1 -1.468 0.009 . 1 . . . A 116 ILE HG23 . 17902 1 1309 . 1 1 116 116 ILE HD11 H 1 -0.899 0.006 . 1 . . . A 116 ILE HD11 . 17902 1 1310 . 1 1 116 116 ILE HD12 H 1 -0.899 0.006 . 1 . . . A 116 ILE HD12 . 17902 1 1311 . 1 1 116 116 ILE HD13 H 1 -0.899 0.006 . 1 . . . A 116 ILE HD13 . 17902 1 1312 . 1 1 116 116 ILE C C 13 173.936 0.100 . 1 . . . A 116 ILE C . 17902 1 1313 . 1 1 116 116 ILE CA C 13 62.066 0.026 . 1 . . . A 116 ILE CA . 17902 1 1314 . 1 1 116 116 ILE CB C 13 37.326 0.047 . 1 . . . A 116 ILE CB . 17902 1 1315 . 1 1 116 116 ILE CG1 C 13 25.964 0.139 . 1 . . . A 116 ILE CG1 . 17902 1 1316 . 1 1 116 116 ILE CG2 C 13 13.005 0.022 . 1 . . . A 116 ILE CG2 . 17902 1 1317 . 1 1 116 116 ILE CD1 C 13 11.560 0.010 . 1 . . . A 116 ILE CD1 . 17902 1 1318 . 1 1 116 116 ILE N N 15 130.562 0.039 . 1 . . . A 116 ILE N . 17902 1 1319 . 1 1 117 117 GLN H H 1 8.836 0.009 . 1 . . . A 117 GLN H . 17902 1 1320 . 1 1 117 117 GLN HA H 1 5.870 0.015 . 1 . . . A 117 GLN HA . 17902 1 1321 . 1 1 117 117 GLN HB2 H 1 2.592 0.004 . 2 . . . A 117 GLN HB2 . 17902 1 1322 . 1 1 117 117 GLN HB3 H 1 2.033 0.005 . 2 . . . A 117 GLN HB3 . 17902 1 1323 . 1 1 117 117 GLN HG2 H 1 2.637 0.008 . 2 . . . A 117 GLN HG2 . 17902 1 1324 . 1 1 117 117 GLN HG3 H 1 1.799 0.012 . 2 . . . A 117 GLN HG3 . 17902 1 1325 . 1 1 117 117 GLN HE21 H 1 6.719 0.005 . 2 . . . A 117 GLN HE21 . 17902 1 1326 . 1 1 117 117 GLN HE22 H 1 6.907 0.005 . 2 . . . A 117 GLN HE22 . 17902 1 1327 . 1 1 117 117 GLN C C 13 177.747 0.100 . 1 . . . A 117 GLN C . 17902 1 1328 . 1 1 117 117 GLN CA C 13 53.156 0.039 . 1 . . . A 117 GLN CA . 17902 1 1329 . 1 1 117 117 GLN CB C 13 37.420 0.063 . 1 . . . A 117 GLN CB . 17902 1 1330 . 1 1 117 117 GLN CG C 13 35.565 0.057 . 1 . . . A 117 GLN CG . 17902 1 1331 . 1 1 117 117 GLN CD C 13 182.116 0.020 . 1 . . . A 117 GLN CD . 17902 1 1332 . 1 1 117 117 GLN N N 15 121.811 0.028 . 1 . . . A 117 GLN N . 17902 1 1333 . 1 1 117 117 GLN NE2 N 15 111.201 0.056 . 1 . . . A 117 GLN NE2 . 17902 1 1334 . 1 1 118 118 ASP H H 1 9.492 0.008 . 1 . . . A 118 ASP H . 17902 1 1335 . 1 1 118 118 ASP HA H 1 4.827 0.005 . 1 . . . A 118 ASP HA . 17902 1 1336 . 1 1 118 118 ASP HB2 H 1 3.042 0.007 . 2 . . . A 118 ASP HB2 . 17902 1 1337 . 1 1 118 118 ASP HB3 H 1 2.614 0.007 . 2 . . . A 118 ASP HB3 . 17902 1 1338 . 1 1 118 118 ASP C C 13 178.434 0.100 . 1 . . . A 118 ASP C . 17902 1 1339 . 1 1 118 118 ASP CA C 13 54.701 0.056 . 1 . . . A 118 ASP CA . 17902 1 1340 . 1 1 118 118 ASP CB C 13 39.993 0.138 . 1 . . . A 118 ASP CB . 17902 1 1341 . 1 1 118 118 ASP N N 15 116.489 0.023 . 1 . . . A 118 ASP N . 17902 1 1342 . 1 1 119 119 GLY H H 1 10.193 0.009 . 1 . . . A 119 GLY H . 17902 1 1343 . 1 1 119 119 GLY HA2 H 1 3.706 0.015 . 2 . . . A 119 GLY HA2 . 17902 1 1344 . 1 1 119 119 GLY HA3 H 1 3.566 0.010 . 2 . . . A 119 GLY HA3 . 17902 1 1345 . 1 1 119 119 GLY C C 13 174.130 0.100 . 1 . . . A 119 GLY C . 17902 1 1346 . 1 1 119 119 GLY CA C 13 46.711 0.126 . 1 . . . A 119 GLY CA . 17902 1 1347 . 1 1 119 119 GLY N N 15 113.761 0.047 . 1 . . . A 119 GLY N . 17902 1 1348 . 1 1 120 120 LYS H H 1 6.552 0.010 . 1 . . . A 120 LYS H . 17902 1 1349 . 1 1 120 120 LYS HA H 1 4.346 0.006 . 1 . . . A 120 LYS HA . 17902 1 1350 . 1 1 120 120 LYS HB2 H 1 2.048 0.009 . 2 . . . A 120 LYS HB2 . 17902 1 1351 . 1 1 120 120 LYS HB3 H 1 1.822 0.006 . 2 . . . A 120 LYS HB3 . 17902 1 1352 . 1 1 120 120 LYS HG2 H 1 1.550 0.006 . 2 . . . A 120 LYS HG2 . 17902 1 1353 . 1 1 120 120 LYS HG3 H 1 1.407 0.009 . 2 . . . A 120 LYS HG3 . 17902 1 1354 . 1 1 120 120 LYS HD2 H 1 1.690 0.011 . 1 . . . A 120 LYS HD2 . 17902 1 1355 . 1 1 120 120 LYS HD3 H 1 1.690 0.011 . 1 . . . A 120 LYS HD3 . 17902 1 1356 . 1 1 120 120 LYS HE2 H 1 3.011 0.009 . 1 . . . A 120 LYS HE2 . 17902 1 1357 . 1 1 120 120 LYS HE3 H 1 3.011 0.009 . 1 . . . A 120 LYS HE3 . 17902 1 1358 . 1 1 120 120 LYS C C 13 175.032 0.100 . 1 . . . A 120 LYS C . 17902 1 1359 . 1 1 120 120 LYS CA C 13 55.737 0.051 . 1 . . . A 120 LYS CA . 17902 1 1360 . 1 1 120 120 LYS CB C 13 32.698 0.045 . 1 . . . A 120 LYS CB . 17902 1 1361 . 1 1 120 120 LYS CG C 13 25.687 0.017 . 1 . . . A 120 LYS CG . 17902 1 1362 . 1 1 120 120 LYS CD C 13 28.805 0.124 . 1 . . . A 120 LYS CD . 17902 1 1363 . 1 1 120 120 LYS CE C 13 42.268 0.158 . 1 . . . A 120 LYS CE . 17902 1 1364 . 1 1 120 120 LYS N N 15 114.165 0.019 . 1 . . . A 120 LYS N . 17902 1 1365 . 1 1 121 121 ARG H H 1 7.608 0.008 . 1 . . . A 121 ARG H . 17902 1 1366 . 1 1 121 121 ARG HA H 1 3.562 0.008 . 1 . . . A 121 ARG HA . 17902 1 1367 . 1 1 121 121 ARG HB2 H 1 2.109 0.012 . 2 . . . A 121 ARG HB2 . 17902 1 1368 . 1 1 121 121 ARG HB3 H 1 1.788 0.006 . 2 . . . A 121 ARG HB3 . 17902 1 1369 . 1 1 121 121 ARG HG2 H 1 1.567 0.009 . 2 . . . A 121 ARG HG2 . 17902 1 1370 . 1 1 121 121 ARG HG3 H 1 1.304 0.013 . 2 . . . A 121 ARG HG3 . 17902 1 1371 . 1 1 121 121 ARG HD2 H 1 3.253 0.009 . 1 . . . A 121 ARG HD2 . 17902 1 1372 . 1 1 121 121 ARG HD3 H 1 3.253 0.009 . 1 . . . A 121 ARG HD3 . 17902 1 1373 . 1 1 121 121 ARG HE H 1 7.241 0.007 . 1 . . . A 121 ARG HE . 17902 1 1374 . 1 1 121 121 ARG C C 13 175.048 0.100 . 1 . . . A 121 ARG C . 17902 1 1375 . 1 1 121 121 ARG CA C 13 58.164 0.075 . 1 . . . A 121 ARG CA . 17902 1 1376 . 1 1 121 121 ARG CB C 13 26.672 0.079 . 1 . . . A 121 ARG CB . 17902 1 1377 . 1 1 121 121 ARG CG C 13 27.295 0.069 . 1 . . . A 121 ARG CG . 17902 1 1378 . 1 1 121 121 ARG CD C 13 43.986 0.020 . 1 . . . A 121 ARG CD . 17902 1 1379 . 1 1 121 121 ARG CZ C 13 159.609 0.100 . 1 . . . A 121 ARG CZ . 17902 1 1380 . 1 1 121 121 ARG N N 15 116.377 0.047 . 1 . . . A 121 ARG N . 17902 1 1381 . 1 1 121 121 ARG NE N 15 85.187 0.020 . 1 . . . A 121 ARG NE . 17902 1 1382 . 1 1 122 122 THR H H 1 11.293 0.010 . 1 . . . A 122 THR H . 17902 1 1383 . 1 1 122 122 THR HA H 1 4.518 0.009 . 1 . . . A 122 THR HA . 17902 1 1384 . 1 1 122 122 THR HB H 1 4.188 0.009 . 1 . . . A 122 THR HB . 17902 1 1385 . 1 1 122 122 THR HG21 H 1 1.172 0.006 . 1 . . . A 122 THR HG21 . 17902 1 1386 . 1 1 122 122 THR HG22 H 1 1.172 0.006 . 1 . . . A 122 THR HG22 . 17902 1 1387 . 1 1 122 122 THR HG23 H 1 1.172 0.006 . 1 . . . A 122 THR HG23 . 17902 1 1388 . 1 1 122 122 THR C C 13 175.283 0.100 . 1 . . . A 122 THR C . 17902 1 1389 . 1 1 122 122 THR CA C 13 62.744 0.047 . 1 . . . A 122 THR CA . 17902 1 1390 . 1 1 122 122 THR CB C 13 71.739 0.037 . 1 . . . A 122 THR CB . 17902 1 1391 . 1 1 122 122 THR CG2 C 13 22.501 0.063 . 1 . . . A 122 THR CG2 . 17902 1 1392 . 1 1 122 122 THR N N 15 113.874 0.034 . 1 . . . A 122 THR N . 17902 1 1393 . 1 1 123 123 VAL H H 1 8.265 0.008 . 1 . . . A 123 VAL H . 17902 1 1394 . 1 1 123 123 VAL HA H 1 4.786 0.004 . 1 . . . A 123 VAL HA . 17902 1 1395 . 1 1 123 123 VAL HB H 1 2.046 0.006 . 1 . . . A 123 VAL HB . 17902 1 1396 . 1 1 123 123 VAL HG11 H 1 1.029 0.004 . 1 . . . A 123 VAL HG11 . 17902 1 1397 . 1 1 123 123 VAL HG12 H 1 1.029 0.004 . 1 . . . A 123 VAL HG12 . 17902 1 1398 . 1 1 123 123 VAL HG13 H 1 1.029 0.004 . 1 . . . A 123 VAL HG13 . 17902 1 1399 . 1 1 123 123 VAL HG21 H 1 0.480 0.005 . 1 . . . A 123 VAL HG21 . 17902 1 1400 . 1 1 123 123 VAL HG22 H 1 0.480 0.005 . 1 . . . A 123 VAL HG22 . 17902 1 1401 . 1 1 123 123 VAL HG23 H 1 0.480 0.005 . 1 . . . A 123 VAL HG23 . 17902 1 1402 . 1 1 123 123 VAL C C 13 174.592 0.100 . 1 . . . A 123 VAL C . 17902 1 1403 . 1 1 123 123 VAL CA C 13 60.369 0.052 . 1 . . . A 123 VAL CA . 17902 1 1404 . 1 1 123 123 VAL CB C 13 37.229 0.072 . 1 . . . A 123 VAL CB . 17902 1 1405 . 1 1 123 123 VAL CG1 C 13 22.331 0.060 . 1 . . . A 123 VAL CG1 . 17902 1 1406 . 1 1 123 123 VAL CG2 C 13 18.836 0.023 . 1 . . . A 123 VAL CG2 . 17902 1 1407 . 1 1 123 123 VAL N N 15 118.928 0.066 . 1 . . . A 123 VAL N . 17902 1 1408 . 1 1 124 124 SER H H 1 9.127 0.008 . 1 . . . A 124 SER H . 17902 1 1409 . 1 1 124 124 SER HA H 1 5.812 0.008 . 1 . . . A 124 SER HA . 17902 1 1410 . 1 1 124 124 SER HB2 H 1 4.124 0.005 . 2 . . . A 124 SER HB2 . 17902 1 1411 . 1 1 124 124 SER HB3 H 1 3.318 0.007 . 2 . . . A 124 SER HB3 . 17902 1 1412 . 1 1 124 124 SER C C 13 175.334 0.100 . 1 . . . A 124 SER C . 17902 1 1413 . 1 1 124 124 SER CA C 13 57.979 0.079 . 1 . . . A 124 SER CA . 17902 1 1414 . 1 1 124 124 SER CB C 13 67.321 0.051 . 1 . . . A 124 SER CB . 17902 1 1415 . 1 1 124 124 SER N N 15 112.714 0.025 . 1 . . . A 124 SER N . 17902 1 1416 . 1 1 125 125 TRP H H 1 8.887 0.006 . 1 . . . A 125 TRP H . 17902 1 1417 . 1 1 125 125 TRP HA H 1 5.627 0.004 . 1 . . . A 125 TRP HA . 17902 1 1418 . 1 1 125 125 TRP HB2 H 1 2.914 0.006 . 2 . . . A 125 TRP HB2 . 17902 1 1419 . 1 1 125 125 TRP HB3 H 1 2.814 0.007 . 2 . . . A 125 TRP HB3 . 17902 1 1420 . 1 1 125 125 TRP HD1 H 1 6.195 0.006 . 1 . . . A 125 TRP HD1 . 17902 1 1421 . 1 1 125 125 TRP HE1 H 1 6.307 0.006 . 1 . . . A 125 TRP HE1 . 17902 1 1422 . 1 1 125 125 TRP HE3 H 1 5.806 0.005 . 1 . . . A 125 TRP HE3 . 17902 1 1423 . 1 1 125 125 TRP HZ2 H 1 4.655 0.006 . 1 . . . A 125 TRP HZ2 . 17902 1 1424 . 1 1 125 125 TRP HZ3 H 1 5.795 0.006 . 1 . . . A 125 TRP HZ3 . 17902 1 1425 . 1 1 125 125 TRP HH2 H 1 5.880 0.005 . 1 . . . A 125 TRP HH2 . 17902 1 1426 . 1 1 125 125 TRP C C 13 178.008 0.100 . 1 . . . A 125 TRP C . 17902 1 1427 . 1 1 125 125 TRP CA C 13 55.392 0.014 . 1 . . . A 125 TRP CA . 17902 1 1428 . 1 1 125 125 TRP CB C 13 29.926 0.037 . 1 . . . A 125 TRP CB . 17902 1 1429 . 1 1 125 125 TRP CD1 C 13 120.930 0.062 . 1 . . . A 125 TRP CD1 . 17902 1 1430 . 1 1 125 125 TRP CE3 C 13 118.824 0.069 . 1 . . . A 125 TRP CE3 . 17902 1 1431 . 1 1 125 125 TRP CZ2 C 13 112.127 0.046 . 1 . . . A 125 TRP CZ2 . 17902 1 1432 . 1 1 125 125 TRP CZ3 C 13 120.072 0.052 . 1 . . . A 125 TRP CZ3 . 17902 1 1433 . 1 1 125 125 TRP CH2 C 13 122.903 0.093 . 1 . . . A 125 TRP CH2 . 17902 1 1434 . 1 1 125 125 TRP N N 15 125.209 0.031 . 1 . . . A 125 TRP N . 17902 1 1435 . 1 1 125 125 TRP NE1 N 15 124.700 0.032 . 1 . . . A 125 TRP NE1 . 17902 1 1436 . 1 1 126 126 SER H H 1 9.869 0.008 . 1 . . . A 126 SER H . 17902 1 1437 . 1 1 126 126 SER HA H 1 5.432 0.004 . 1 . . . A 126 SER HA . 17902 1 1438 . 1 1 126 126 SER HB2 H 1 3.824 0.008 . 2 . . . A 126 SER HB2 . 17902 1 1439 . 1 1 126 126 SER HB3 H 1 3.686 0.009 . 2 . . . A 126 SER HB3 . 17902 1 1440 . 1 1 126 126 SER C C 13 171.577 0.100 . 1 . . . A 126 SER C . 17902 1 1441 . 1 1 126 126 SER CA C 13 58.607 0.089 . 1 . . . A 126 SER CA . 17902 1 1442 . 1 1 126 126 SER CB C 13 66.261 0.098 . 1 . . . A 126 SER CB . 17902 1 1443 . 1 1 126 126 SER N N 15 119.520 0.025 . 1 . . . A 126 SER N . 17902 1 1444 . 1 1 127 127 LEU H H 1 6.534 0.008 . 1 . . . A 127 LEU H . 17902 1 1445 . 1 1 127 127 LEU HA H 1 5.130 0.010 . 1 . . . A 127 LEU HA . 17902 1 1446 . 1 1 127 127 LEU HB2 H 1 1.785 0.007 . 2 . . . A 127 LEU HB2 . 17902 1 1447 . 1 1 127 127 LEU HB3 H 1 1.208 0.008 . 2 . . . A 127 LEU HB3 . 17902 1 1448 . 1 1 127 127 LEU HG H 1 1.581 0.010 . 1 . . . A 127 LEU HG . 17902 1 1449 . 1 1 127 127 LEU HD11 H 1 1.029 0.009 . 1 . . . A 127 LEU HD11 . 17902 1 1450 . 1 1 127 127 LEU HD12 H 1 1.029 0.009 . 1 . . . A 127 LEU HD12 . 17902 1 1451 . 1 1 127 127 LEU HD13 H 1 1.029 0.009 . 1 . . . A 127 LEU HD13 . 17902 1 1452 . 1 1 127 127 LEU HD21 H 1 0.691 0.005 . 1 . . . A 127 LEU HD21 . 17902 1 1453 . 1 1 127 127 LEU HD22 H 1 0.691 0.005 . 1 . . . A 127 LEU HD22 . 17902 1 1454 . 1 1 127 127 LEU HD23 H 1 0.691 0.005 . 1 . . . A 127 LEU HD23 . 17902 1 1455 . 1 1 127 127 LEU C C 13 176.487 0.100 . 1 . . . A 127 LEU C . 17902 1 1456 . 1 1 127 127 LEU CA C 13 52.512 0.047 . 1 . . . A 127 LEU CA . 17902 1 1457 . 1 1 127 127 LEU CB C 13 43.580 0.025 . 1 . . . A 127 LEU CB . 17902 1 1458 . 1 1 127 127 LEU CG C 13 27.139 0.091 . 1 . . . A 127 LEU CG . 17902 1 1459 . 1 1 127 127 LEU CD1 C 13 23.354 0.036 . 1 . . . A 127 LEU CD1 . 17902 1 1460 . 1 1 127 127 LEU CD2 C 13 26.718 0.073 . 1 . . . A 127 LEU CD2 . 17902 1 1461 . 1 1 127 127 LEU N N 15 113.677 0.074 . 1 . . . A 127 LEU N . 17902 1 1462 . 1 1 128 128 ASN H H 1 8.680 0.005 . 1 . . . A 128 ASN H . 17902 1 1463 . 1 1 128 128 ASN HA H 1 4.660 0.005 . 1 . . . A 128 ASN HA . 17902 1 1464 . 1 1 128 128 ASN HB2 H 1 2.842 0.006 . 2 . . . A 128 ASN HB2 . 17902 1 1465 . 1 1 128 128 ASN HB3 H 1 2.746 0.006 . 2 . . . A 128 ASN HB3 . 17902 1 1466 . 1 1 128 128 ASN HD21 H 1 6.803 0.008 . 2 . . . A 128 ASN HD21 . 17902 1 1467 . 1 1 128 128 ASN HD22 H 1 7.580 0.005 . 2 . . . A 128 ASN HD22 . 17902 1 1468 . 1 1 128 128 ASN C C 13 175.425 0.100 . 1 . . . A 128 ASN C . 17902 1 1469 . 1 1 128 128 ASN CA C 13 55.952 0.087 . 1 . . . A 128 ASN CA . 17902 1 1470 . 1 1 128 128 ASN CB C 13 39.232 0.053 . 1 . . . A 128 ASN CB . 17902 1 1471 . 1 1 128 128 ASN CG C 13 176.314 0.016 . 1 . . . A 128 ASN CG . 17902 1 1472 . 1 1 128 128 ASN N N 15 121.694 0.071 . 1 . . . A 128 ASN N . 17902 1 1473 . 1 1 128 128 ASN ND2 N 15 113.022 0.031 . 1 . . . A 128 ASN ND2 . 17902 1 1474 . 1 1 129 129 ASN H H 1 10.684 0.028 . 1 . . . A 129 ASN H . 17902 1 1475 . 1 1 129 129 ASN HA H 1 4.986 0.008 . 1 . . . A 129 ASN HA . 17902 1 1476 . 1 1 129 129 ASN HB2 H 1 2.677 0.004 . 2 . . . A 129 ASN HB2 . 17902 1 1477 . 1 1 129 129 ASN HB3 H 1 2.594 0.007 . 2 . . . A 129 ASN HB3 . 17902 1 1478 . 1 1 129 129 ASN HD21 H 1 6.880 0.008 . 2 . . . A 129 ASN HD21 . 17902 1 1479 . 1 1 129 129 ASN HD22 H 1 7.474 0.008 . 2 . . . A 129 ASN HD22 . 17902 1 1480 . 1 1 129 129 ASN C C 13 175.767 0.100 . 1 . . . A 129 ASN C . 17902 1 1481 . 1 1 129 129 ASN CA C 13 54.061 0.053 . 1 . . . A 129 ASN CA . 17902 1 1482 . 1 1 129 129 ASN CB C 13 41.171 0.034 . 1 . . . A 129 ASN CB . 17902 1 1483 . 1 1 129 129 ASN CG C 13 176.675 0.100 . 1 . . . A 129 ASN CG . 17902 1 1484 . 1 1 129 129 ASN N N 15 118.808 0.078 . 1 . . . A 129 ASN N . 17902 1 1485 . 1 1 129 129 ASN ND2 N 15 114.005 0.057 . 1 . . . A 129 ASN ND2 . 17902 1 1486 . 1 1 130 130 ALA H H 1 10.346 0.024 . 1 . . . A 130 ALA H . 17902 1 1487 . 1 1 130 130 ALA HA H 1 3.556 0.006 . 1 . . . A 130 ALA HA . 17902 1 1488 . 1 1 130 130 ALA HB1 H 1 0.698 0.005 . 1 . . . A 130 ALA HB1 . 17902 1 1489 . 1 1 130 130 ALA HB2 H 1 0.698 0.005 . 1 . . . A 130 ALA HB2 . 17902 1 1490 . 1 1 130 130 ALA HB3 H 1 0.698 0.005 . 1 . . . A 130 ALA HB3 . 17902 1 1491 . 1 1 130 130 ALA C C 13 172.520 0.100 . 1 . . . A 130 ALA C . 17902 1 1492 . 1 1 130 130 ALA CA C 13 52.587 0.057 . 1 . . . A 130 ALA CA . 17902 1 1493 . 1 1 130 130 ALA CB C 13 16.178 0.048 . 1 . . . A 130 ALA CB . 17902 1 1494 . 1 1 130 130 ALA N N 15 127.747 0.043 . 1 . . . A 130 ALA N . 17902 1 1495 . 1 1 131 131 THR H H 1 7.048 0.011 . 1 . . . A 131 THR H . 17902 1 1496 . 1 1 131 131 THR HA H 1 4.446 0.005 . 1 . . . A 131 THR HA . 17902 1 1497 . 1 1 131 131 THR HB H 1 4.170 0.009 . 1 . . . A 131 THR HB . 17902 1 1498 . 1 1 131 131 THR HG21 H 1 0.960 0.005 . 1 . . . A 131 THR HG21 . 17902 1 1499 . 1 1 131 131 THR HG22 H 1 0.960 0.005 . 1 . . . A 131 THR HG22 . 17902 1 1500 . 1 1 131 131 THR HG23 H 1 0.960 0.005 . 1 . . . A 131 THR HG23 . 17902 1 1501 . 1 1 131 131 THR C C 13 173.606 0.100 . 1 . . . A 131 THR C . 17902 1 1502 . 1 1 131 131 THR CA C 13 58.311 0.075 . 1 . . . A 131 THR CA . 17902 1 1503 . 1 1 131 131 THR CB C 13 71.614 0.071 . 1 . . . A 131 THR CB . 17902 1 1504 . 1 1 131 131 THR CG2 C 13 22.083 0.013 . 1 . . . A 131 THR CG2 . 17902 1 1505 . 1 1 131 131 THR N N 15 105.530 0.026 . 1 . . . A 131 THR N . 17902 1 1506 . 1 1 132 132 ALA H H 1 8.932 0.007 . 1 . . . A 132 ALA H . 17902 1 1507 . 1 1 132 132 ALA HA H 1 3.730 0.005 . 1 . . . A 132 ALA HA . 17902 1 1508 . 1 1 132 132 ALA HB1 H 1 1.401 0.006 . 1 . . . A 132 ALA HB1 . 17902 1 1509 . 1 1 132 132 ALA HB2 H 1 1.401 0.006 . 1 . . . A 132 ALA HB2 . 17902 1 1510 . 1 1 132 132 ALA HB3 H 1 1.401 0.006 . 1 . . . A 132 ALA HB3 . 17902 1 1511 . 1 1 132 132 ALA C C 13 178.759 0.100 . 1 . . . A 132 ALA C . 17902 1 1512 . 1 1 132 132 ALA CA C 13 54.238 0.061 . 1 . . . A 132 ALA CA . 17902 1 1513 . 1 1 132 132 ALA CB C 13 18.371 0.044 . 1 . . . A 132 ALA CB . 17902 1 1514 . 1 1 132 132 ALA N N 15 121.772 0.041 . 1 . . . A 132 ALA N . 17902 1 1515 . 1 1 133 133 GLY H H 1 8.961 0.009 . 1 . . . A 133 GLY H . 17902 1 1516 . 1 1 133 133 GLY HA2 H 1 4.261 0.009 . 2 . . . A 133 GLY HA2 . 17902 1 1517 . 1 1 133 133 GLY HA3 H 1 3.838 0.006 . 2 . . . A 133 GLY HA3 . 17902 1 1518 . 1 1 133 133 GLY C C 13 173.425 0.100 . 1 . . . A 133 GLY C . 17902 1 1519 . 1 1 133 133 GLY CA C 13 45.223 0.029 . 1 . . . A 133 GLY CA . 17902 1 1520 . 1 1 133 133 GLY N N 15 113.923 0.050 . 1 . . . A 133 GLY N . 17902 1 1521 . 1 1 134 134 GLU H H 1 7.582 0.008 . 1 . . . A 134 GLU H . 17902 1 1522 . 1 1 134 134 GLU HA H 1 3.954 0.007 . 1 . . . A 134 GLU HA . 17902 1 1523 . 1 1 134 134 GLU HB2 H 1 2.165 0.007 . 2 . . . A 134 GLU HB2 . 17902 1 1524 . 1 1 134 134 GLU HB3 H 1 2.090 0.008 . 2 . . . A 134 GLU HB3 . 17902 1 1525 . 1 1 134 134 GLU HG2 H 1 2.833 0.011 . 2 . . . A 134 GLU HG2 . 17902 1 1526 . 1 1 134 134 GLU HG3 H 1 2.348 0.012 . 2 . . . A 134 GLU HG3 . 17902 1 1527 . 1 1 134 134 GLU C C 13 176.144 0.100 . 1 . . . A 134 GLU C . 17902 1 1528 . 1 1 134 134 GLU CA C 13 57.261 0.049 . 1 . . . A 134 GLU CA . 17902 1 1529 . 1 1 134 134 GLU CB C 13 31.079 0.077 . 1 . . . A 134 GLU CB . 17902 1 1530 . 1 1 134 134 GLU CG C 13 36.101 0.026 . 1 . . . A 134 GLU CG . 17902 1 1531 . 1 1 134 134 GLU N N 15 123.206 0.039 . 1 . . . A 134 GLU N . 17902 1 1532 . 1 1 135 135 GLU H H 1 8.257 0.007 . 1 . . . A 135 GLU H . 17902 1 1533 . 1 1 135 135 GLU HA H 1 4.319 0.011 . 1 . . . A 135 GLU HA . 17902 1 1534 . 1 1 135 135 GLU HB2 H 1 1.922 0.011 . 1 . . . A 135 GLU HB2 . 17902 1 1535 . 1 1 135 135 GLU HB3 H 1 1.922 0.011 . 1 . . . A 135 GLU HB3 . 17902 1 1536 . 1 1 135 135 GLU HG2 H 1 2.574 0.015 . 2 . . . A 135 GLU HG2 . 17902 1 1537 . 1 1 135 135 GLU HG3 H 1 2.142 0.011 . 2 . . . A 135 GLU HG3 . 17902 1 1538 . 1 1 135 135 GLU C C 13 175.674 0.100 . 1 . . . A 135 GLU C . 17902 1 1539 . 1 1 135 135 GLU CA C 13 55.936 0.071 . 1 . . . A 135 GLU CA . 17902 1 1540 . 1 1 135 135 GLU CB C 13 28.741 0.048 . 1 . . . A 135 GLU CB . 17902 1 1541 . 1 1 135 135 GLU CG C 13 34.630 0.027 . 1 . . . A 135 GLU CG . 17902 1 1542 . 1 1 135 135 GLU N N 15 121.970 0.032 . 1 . . . A 135 GLU N . 17902 1 1543 . 1 1 136 136 VAL H H 1 7.217 0.007 . 1 . . . A 136 VAL H . 17902 1 1544 . 1 1 136 136 VAL HA H 1 3.692 0.007 . 1 . . . A 136 VAL HA . 17902 1 1545 . 1 1 136 136 VAL HB H 1 1.037 0.011 . 1 . . . A 136 VAL HB . 17902 1 1546 . 1 1 136 136 VAL HG11 H 1 0.702 0.004 . 1 . . . A 136 VAL HG11 . 17902 1 1547 . 1 1 136 136 VAL HG12 H 1 0.702 0.004 . 1 . . . A 136 VAL HG12 . 17902 1 1548 . 1 1 136 136 VAL HG13 H 1 0.702 0.004 . 1 . . . A 136 VAL HG13 . 17902 1 1549 . 1 1 136 136 VAL HG21 H 1 0.451 0.007 . 1 . . . A 136 VAL HG21 . 17902 1 1550 . 1 1 136 136 VAL HG22 H 1 0.451 0.007 . 1 . . . A 136 VAL HG22 . 17902 1 1551 . 1 1 136 136 VAL HG23 H 1 0.451 0.007 . 1 . . . A 136 VAL HG23 . 17902 1 1552 . 1 1 136 136 VAL C C 13 173.701 0.100 . 1 . . . A 136 VAL C . 17902 1 1553 . 1 1 136 136 VAL CA C 13 63.687 0.026 . 1 . . . A 136 VAL CA . 17902 1 1554 . 1 1 136 136 VAL CB C 13 31.940 0.058 . 1 . . . A 136 VAL CB . 17902 1 1555 . 1 1 136 136 VAL CG1 C 13 22.960 0.031 . 1 . . . A 136 VAL CG1 . 17902 1 1556 . 1 1 136 136 VAL CG2 C 13 21.443 0.026 . 1 . . . A 136 VAL CG2 . 17902 1 1557 . 1 1 136 136 VAL N N 15 123.620 0.032 . 1 . . . A 136 VAL N . 17902 1 1558 . 1 1 137 137 SER H H 1 8.474 0.007 . 1 . . . A 137 SER H . 17902 1 1559 . 1 1 137 137 SER HA H 1 4.893 0.006 . 1 . . . A 137 SER HA . 17902 1 1560 . 1 1 137 137 SER HB2 H 1 3.732 0.007 . 2 . . . A 137 SER HB2 . 17902 1 1561 . 1 1 137 137 SER HB3 H 1 3.651 0.006 . 2 . . . A 137 SER HB3 . 17902 1 1562 . 1 1 137 137 SER C C 13 173.718 0.100 . 1 . . . A 137 SER C . 17902 1 1563 . 1 1 137 137 SER CA C 13 57.808 0.044 . 1 . . . A 137 SER CA . 17902 1 1564 . 1 1 137 137 SER CB C 13 64.943 0.066 . 1 . . . A 137 SER CB . 17902 1 1565 . 1 1 137 137 SER N N 15 118.884 0.062 . 1 . . . A 137 SER N . 17902 1 1566 . 1 1 138 138 ILE H H 1 7.932 0.009 . 1 . . . A 138 ILE H . 17902 1 1567 . 1 1 138 138 ILE HA H 1 4.133 0.006 . 1 . . . A 138 ILE HA . 17902 1 1568 . 1 1 138 138 ILE HB H 1 0.870 0.004 . 1 . . . A 138 ILE HB . 17902 1 1569 . 1 1 138 138 ILE HG12 H 1 1.160 0.003 . 2 . . . A 138 ILE HG12 . 17902 1 1570 . 1 1 138 138 ILE HG13 H 1 -0.134 0.007 . 2 . . . A 138 ILE HG13 . 17902 1 1571 . 1 1 138 138 ILE HG21 H 1 -0.112 0.010 . 1 . . . A 138 ILE HG21 . 17902 1 1572 . 1 1 138 138 ILE HG22 H 1 -0.112 0.010 . 1 . . . A 138 ILE HG22 . 17902 1 1573 . 1 1 138 138 ILE HG23 H 1 -0.112 0.010 . 1 . . . A 138 ILE HG23 . 17902 1 1574 . 1 1 138 138 ILE HD11 H 1 -0.210 0.005 . 1 . . . A 138 ILE HD11 . 17902 1 1575 . 1 1 138 138 ILE HD12 H 1 -0.210 0.005 . 1 . . . A 138 ILE HD12 . 17902 1 1576 . 1 1 138 138 ILE HD13 H 1 -0.210 0.005 . 1 . . . A 138 ILE HD13 . 17902 1 1577 . 1 1 138 138 ILE C C 13 176.077 0.100 . 1 . . . A 138 ILE C . 17902 1 1578 . 1 1 138 138 ILE CA C 13 61.039 0.030 . 1 . . . A 138 ILE CA . 17902 1 1579 . 1 1 138 138 ILE CB C 13 38.718 0.051 . 1 . . . A 138 ILE CB . 17902 1 1580 . 1 1 138 138 ILE CG1 C 13 26.445 0.056 . 1 . . . A 138 ILE CG1 . 17902 1 1581 . 1 1 138 138 ILE CG2 C 13 18.068 0.043 . 1 . . . A 138 ILE CG2 . 17902 1 1582 . 1 1 138 138 ILE CD1 C 13 13.811 0.018 . 1 . . . A 138 ILE CD1 . 17902 1 1583 . 1 1 138 138 ILE N N 15 124.104 0.042 . 1 . . . A 138 ILE N . 17902 1 1584 . 1 1 139 139 GLY H H 1 8.505 0.008 . 1 . . . A 139 GLY H . 17902 1 1585 . 1 1 139 139 GLY HA2 H 1 4.126 0.007 . 2 . . . A 139 GLY HA2 . 17902 1 1586 . 1 1 139 139 GLY HA3 H 1 3.935 0.007 . 2 . . . A 139 GLY HA3 . 17902 1 1587 . 1 1 139 139 GLY C C 13 171.871 0.100 . 1 . . . A 139 GLY C . 17902 1 1588 . 1 1 139 139 GLY CA C 13 47.216 0.066 . 1 . . . A 139 GLY CA . 17902 1 1589 . 1 1 139 139 GLY N N 15 115.613 0.046 . 1 . . . A 139 GLY N . 17902 1 1590 . 1 1 140 140 ALA H H 1 8.520 0.006 . 1 . . . A 140 ALA H . 17902 1 1591 . 1 1 140 140 ALA HA H 1 4.372 0.010 . 1 . . . A 140 ALA HA . 17902 1 1592 . 1 1 140 140 ALA HB1 H 1 1.422 0.007 . 1 . . . A 140 ALA HB1 . 17902 1 1593 . 1 1 140 140 ALA HB2 H 1 1.422 0.007 . 1 . . . A 140 ALA HB2 . 17902 1 1594 . 1 1 140 140 ALA HB3 H 1 1.422 0.007 . 1 . . . A 140 ALA HB3 . 17902 1 1595 . 1 1 140 140 ALA C C 13 177.939 0.100 . 1 . . . A 140 ALA C . 17902 1 1596 . 1 1 140 140 ALA CA C 13 52.665 0.050 . 1 . . . A 140 ALA CA . 17902 1 1597 . 1 1 140 140 ALA CB C 13 19.190 0.032 . 1 . . . A 140 ALA CB . 17902 1 1598 . 1 1 140 140 ALA N N 15 128.898 0.027 . 1 . . . A 140 ALA N . 17902 1 1599 . 1 1 141 141 ASP H H 1 8.516 0.003 . 1 . . . A 141 ASP H . 17902 1 1600 . 1 1 141 141 ASP HA H 1 4.580 0.007 . 1 . . . A 141 ASP HA . 17902 1 1601 . 1 1 141 141 ASP HB2 H 1 2.619 0.014 . 1 . . . A 141 ASP HB2 . 17902 1 1602 . 1 1 141 141 ASP HB3 H 1 2.619 0.014 . 1 . . . A 141 ASP HB3 . 17902 1 1603 . 1 1 141 141 ASP C C 13 175.295 0.100 . 1 . . . A 141 ASP C . 17902 1 1604 . 1 1 141 141 ASP CA C 13 53.658 0.080 . 1 . . . A 141 ASP CA . 17902 1 1605 . 1 1 141 141 ASP CB C 13 40.514 0.036 . 1 . . . A 141 ASP CB . 17902 1 1606 . 1 1 141 141 ASP N N 15 120.771 0.025 . 1 . . . A 141 ASP N . 17902 1 1607 . 1 1 142 142 ALA H H 1 7.859 0.007 . 1 . . . A 142 ALA H . 17902 1 1608 . 1 1 142 142 ALA HA H 1 4.488 0.008 . 1 . . . A 142 ALA HA . 17902 1 1609 . 1 1 142 142 ALA HB1 H 1 1.339 0.005 . 1 . . . A 142 ALA HB1 . 17902 1 1610 . 1 1 142 142 ALA HB2 H 1 1.339 0.005 . 1 . . . A 142 ALA HB2 . 17902 1 1611 . 1 1 142 142 ALA HB3 H 1 1.339 0.005 . 1 . . . A 142 ALA HB3 . 17902 1 1612 . 1 1 142 142 ALA C C 13 177.697 0.100 . 1 . . . A 142 ALA C . 17902 1 1613 . 1 1 142 142 ALA CA C 13 51.905 0.047 . 1 . . . A 142 ALA CA . 17902 1 1614 . 1 1 142 142 ALA CB C 13 21.518 0.028 . 1 . . . A 142 ALA CB . 17902 1 1615 . 1 1 142 142 ALA N N 15 125.510 0.027 . 1 . . . A 142 ALA N . 17902 1 1616 . 1 1 143 143 THR H H 1 8.256 0.006 . 1 . . . A 143 THR H . 17902 1 1617 . 1 1 143 143 THR HA H 1 3.700 0.014 . 1 . . . A 143 THR HA . 17902 1 1618 . 1 1 143 143 THR HB H 1 3.810 0.012 . 1 . . . A 143 THR HB . 17902 1 1619 . 1 1 143 143 THR HG21 H 1 0.626 0.013 . 1 . . . A 143 THR HG21 . 17902 1 1620 . 1 1 143 143 THR HG22 H 1 0.626 0.013 . 1 . . . A 143 THR HG22 . 17902 1 1621 . 1 1 143 143 THR HG23 H 1 0.626 0.013 . 1 . . . A 143 THR HG23 . 17902 1 1622 . 1 1 143 143 THR C C 13 175.422 0.100 . 1 . . . A 143 THR C . 17902 1 1623 . 1 1 143 143 THR CA C 13 64.609 0.159 . 1 . . . A 143 THR CA . 17902 1 1624 . 1 1 143 143 THR CB C 13 69.243 0.139 . 1 . . . A 143 THR CB . 17902 1 1625 . 1 1 143 143 THR CG2 C 13 21.268 0.046 . 1 . . . A 143 THR CG2 . 17902 1 1626 . 1 1 143 143 THR N N 15 118.345 0.045 . 1 . . . A 143 THR N . 17902 1 1627 . 1 1 144 144 PHE H H 1 8.717 0.009 . 1 . . . A 144 PHE H . 17902 1 1628 . 1 1 144 144 PHE HA H 1 4.318 0.004 . 1 . . . A 144 PHE HA . 17902 1 1629 . 1 1 144 144 PHE HB2 H 1 3.162 0.006 . 2 . . . A 144 PHE HB2 . 17902 1 1630 . 1 1 144 144 PHE HB3 H 1 2.700 0.005 . 2 . . . A 144 PHE HB3 . 17902 1 1631 . 1 1 144 144 PHE HD1 H 1 7.173 0.006 . 3 . . . A 144 PHE HD1 . 17902 1 1632 . 1 1 144 144 PHE HD2 H 1 7.173 0.006 . 3 . . . A 144 PHE HD2 . 17902 1 1633 . 1 1 144 144 PHE HE1 H 1 7.387 0.009 . 3 . . . A 144 PHE HE1 . 17902 1 1634 . 1 1 144 144 PHE HE2 H 1 7.387 0.009 . 3 . . . A 144 PHE HE2 . 17902 1 1635 . 1 1 144 144 PHE HZ H 1 7.259 0.009 . 1 . . . A 144 PHE HZ . 17902 1 1636 . 1 1 144 144 PHE C C 13 176.217 0.100 . 1 . . . A 144 PHE C . 17902 1 1637 . 1 1 144 144 PHE CA C 13 61.381 0.095 . 1 . . . A 144 PHE CA . 17902 1 1638 . 1 1 144 144 PHE CB C 13 39.462 0.120 . 1 . . . A 144 PHE CB . 17902 1 1639 . 1 1 144 144 PHE CD2 C 13 131.379 0.036 . 3 . . . A 144 PHE CD2 . 17902 1 1640 . 1 1 144 144 PHE CE2 C 13 131.602 0.091 . 3 . . . A 144 PHE CE2 . 17902 1 1641 . 1 1 144 144 PHE CZ C 13 130.553 0.018 . 1 . . . A 144 PHE CZ . 17902 1 1642 . 1 1 144 144 PHE N N 15 118.570 0.065 . 1 . . . A 144 PHE N . 17902 1 1643 . 1 1 145 145 SER H H 1 8.676 0.011 . 1 . . . A 145 SER H . 17902 1 1644 . 1 1 145 145 SER HA H 1 4.850 0.005 . 1 . . . A 145 SER HA . 17902 1 1645 . 1 1 145 145 SER C C 13 176.622 0.100 . 1 . . . A 145 SER C . 17902 1 1646 . 1 1 145 145 SER CA C 13 59.453 0.039 . 1 . . . A 145 SER CA . 17902 1 1647 . 1 1 145 145 SER CB C 13 62.390 0.100 . 1 . . . A 145 SER CB . 17902 1 1648 . 1 1 145 145 SER N N 15 113.661 0.061 . 1 . . . A 145 SER N . 17902 1 1649 . 1 1 146 146 GLY H H 1 7.458 0.008 . 1 . . . A 146 GLY H . 17902 1 1650 . 1 1 146 146 GLY HA2 H 1 5.101 0.009 . 2 . . . A 146 GLY HA2 . 17902 1 1651 . 1 1 146 146 GLY HA3 H 1 4.012 0.006 . 2 . . . A 146 GLY HA3 . 17902 1 1652 . 1 1 146 146 GLY C C 13 174.279 0.100 . 1 . . . A 146 GLY C . 17902 1 1653 . 1 1 146 146 GLY CA C 13 44.879 0.064 . 1 . . . A 146 GLY CA . 17902 1 1654 . 1 1 146 146 GLY N N 15 109.232 0.027 . 1 . . . A 146 GLY N . 17902 1 1655 . 1 1 147 147 ARG H H 1 7.569 0.009 . 1 . . . A 147 ARG H . 17902 1 1656 . 1 1 147 147 ARG HA H 1 5.432 0.008 . 1 . . . A 147 ARG HA . 17902 1 1657 . 1 1 147 147 ARG HB2 H 1 1.814 0.001 . 2 . . . A 147 ARG HB2 . 17902 1 1658 . 1 1 147 147 ARG HB3 H 1 1.489 0.012 . 2 . . . A 147 ARG HB3 . 17902 1 1659 . 1 1 147 147 ARG HG2 H 1 1.389 0.011 . 2 . . . A 147 ARG HG2 . 17902 1 1660 . 1 1 147 147 ARG HG3 H 1 1.170 0.009 . 2 . . . A 147 ARG HG3 . 17902 1 1661 . 1 1 147 147 ARG HD2 H 1 2.972 0.016 . 2 . . . A 147 ARG HD2 . 17902 1 1662 . 1 1 147 147 ARG HD3 H 1 2.128 0.008 . 2 . . . A 147 ARG HD3 . 17902 1 1663 . 1 1 147 147 ARG HE H 1 6.776 0.004 . 1 . . . A 147 ARG HE . 17902 1 1664 . 1 1 147 147 ARG C C 13 173.815 0.100 . 1 . . . A 147 ARG C . 17902 1 1665 . 1 1 147 147 ARG CA C 13 52.273 0.109 . 1 . . . A 147 ARG CA . 17902 1 1666 . 1 1 147 147 ARG CB C 13 32.740 0.169 . 1 . . . A 147 ARG CB . 17902 1 1667 . 1 1 147 147 ARG CG C 13 26.014 0.018 . 1 . . . A 147 ARG CG . 17902 1 1668 . 1 1 147 147 ARG CD C 13 41.795 0.110 . 1 . . . A 147 ARG CD . 17902 1 1669 . 1 1 147 147 ARG CZ C 13 159.966 0.100 . 1 . . . A 147 ARG CZ . 17902 1 1670 . 1 1 147 147 ARG N N 15 123.018 0.039 . 1 . . . A 147 ARG N . 17902 1 1671 . 1 1 147 147 ARG NE N 15 82.776 0.025 . 1 . . . A 147 ARG NE . 17902 1 1672 . 1 1 148 148 TRP H H 1 8.710 0.009 . 1 . . . A 148 TRP H . 17902 1 1673 . 1 1 148 148 TRP HA H 1 4.831 0.002 . 1 . . . A 148 TRP HA . 17902 1 1674 . 1 1 148 148 TRP HB2 H 1 2.934 0.008 . 2 . . . A 148 TRP HB2 . 17902 1 1675 . 1 1 148 148 TRP HB3 H 1 2.380 0.004 . 2 . . . A 148 TRP HB3 . 17902 1 1676 . 1 1 148 148 TRP HD1 H 1 7.455 0.006 . 1 . . . A 148 TRP HD1 . 17902 1 1677 . 1 1 148 148 TRP HE1 H 1 9.444 0.007 . 1 . . . A 148 TRP HE1 . 17902 1 1678 . 1 1 148 148 TRP HE3 H 1 7.174 0.008 . 1 . . . A 148 TRP HE3 . 17902 1 1679 . 1 1 148 148 TRP HZ2 H 1 6.870 0.005 . 1 . . . A 148 TRP HZ2 . 17902 1 1680 . 1 1 148 148 TRP HZ3 H 1 6.832 0.005 . 1 . . . A 148 TRP HZ3 . 17902 1 1681 . 1 1 148 148 TRP HH2 H 1 6.818 0.006 . 1 . . . A 148 TRP HH2 . 17902 1 1682 . 1 1 148 148 TRP C C 13 174.346 0.100 . 1 . . . A 148 TRP C . 17902 1 1683 . 1 1 148 148 TRP CA C 13 55.649 0.058 . 1 . . . A 148 TRP CA . 17902 1 1684 . 1 1 148 148 TRP CB C 13 31.991 0.103 . 1 . . . A 148 TRP CB . 17902 1 1685 . 1 1 148 148 TRP CD1 C 13 129.615 0.068 . 1 . . . A 148 TRP CD1 . 17902 1 1686 . 1 1 148 148 TRP CE3 C 13 121.299 0.094 . 1 . . . A 148 TRP CE3 . 17902 1 1687 . 1 1 148 148 TRP CZ2 C 13 112.594 0.012 . 1 . . . A 148 TRP CZ2 . 17902 1 1688 . 1 1 148 148 TRP CZ3 C 13 119.317 0.177 . 1 . . . A 148 TRP CZ3 . 17902 1 1689 . 1 1 148 148 TRP CH2 C 13 122.524 0.020 . 1 . . . A 148 TRP CH2 . 17902 1 1690 . 1 1 148 148 TRP N N 15 118.416 0.044 . 1 . . . A 148 TRP N . 17902 1 1691 . 1 1 148 148 TRP NE1 N 15 129.536 0.027 . 1 . . . A 148 TRP NE1 . 17902 1 1692 . 1 1 149 149 VAL H H 1 9.694 0.009 . 1 . . . A 149 VAL H . 17902 1 1693 . 1 1 149 149 VAL HA H 1 4.119 0.006 . 1 . . . A 149 VAL HA . 17902 1 1694 . 1 1 149 149 VAL HB H 1 0.409 0.008 . 1 . . . A 149 VAL HB . 17902 1 1695 . 1 1 149 149 VAL HG11 H 1 0.605 0.005 . 1 . . . A 149 VAL HG11 . 17902 1 1696 . 1 1 149 149 VAL HG12 H 1 0.605 0.005 . 1 . . . A 149 VAL HG12 . 17902 1 1697 . 1 1 149 149 VAL HG13 H 1 0.605 0.005 . 1 . . . A 149 VAL HG13 . 17902 1 1698 . 1 1 149 149 VAL HG21 H 1 0.419 0.008 . 1 . . . A 149 VAL HG21 . 17902 1 1699 . 1 1 149 149 VAL HG22 H 1 0.419 0.008 . 1 . . . A 149 VAL HG22 . 17902 1 1700 . 1 1 149 149 VAL HG23 H 1 0.419 0.008 . 1 . . . A 149 VAL HG23 . 17902 1 1701 . 1 1 149 149 VAL C C 13 173.558 0.100 . 1 . . . A 149 VAL C . 17902 1 1702 . 1 1 149 149 VAL CA C 13 61.708 0.060 . 1 . . . A 149 VAL CA . 17902 1 1703 . 1 1 149 149 VAL CB C 13 32.459 0.054 . 1 . . . A 149 VAL CB . 17902 1 1704 . 1 1 149 149 VAL CG1 C 13 21.728 0.020 . 1 . . . A 149 VAL CG1 . 17902 1 1705 . 1 1 149 149 VAL CG2 C 13 19.332 0.052 . 1 . . . A 149 VAL CG2 . 17902 1 1706 . 1 1 149 149 VAL N N 15 125.860 0.062 . 1 . . . A 149 VAL N . 17902 1 1707 . 1 1 150 150 ILE H H 1 7.745 0.005 . 1 . . . A 150 ILE H . 17902 1 1708 . 1 1 150 150 ILE HA H 1 4.834 0.005 . 1 . . . A 150 ILE HA . 17902 1 1709 . 1 1 150 150 ILE HB H 1 1.035 0.004 . 1 . . . A 150 ILE HB . 17902 1 1710 . 1 1 150 150 ILE HG12 H 1 0.955 0.006 . 2 . . . A 150 ILE HG12 . 17902 1 1711 . 1 1 150 150 ILE HG13 H 1 0.492 0.015 . 2 . . . A 150 ILE HG13 . 17902 1 1712 . 1 1 150 150 ILE HG21 H 1 0.103 0.005 . 1 . . . A 150 ILE HG21 . 17902 1 1713 . 1 1 150 150 ILE HG22 H 1 0.103 0.005 . 1 . . . A 150 ILE HG22 . 17902 1 1714 . 1 1 150 150 ILE HG23 H 1 0.103 0.005 . 1 . . . A 150 ILE HG23 . 17902 1 1715 . 1 1 150 150 ILE HD11 H 1 -0.563 0.006 . 1 . . . A 150 ILE HD11 . 17902 1 1716 . 1 1 150 150 ILE HD12 H 1 -0.563 0.006 . 1 . . . A 150 ILE HD12 . 17902 1 1717 . 1 1 150 150 ILE HD13 H 1 -0.563 0.006 . 1 . . . A 150 ILE HD13 . 17902 1 1718 . 1 1 150 150 ILE C C 13 175.551 0.100 . 1 . . . A 150 ILE C . 17902 1 1719 . 1 1 150 150 ILE CA C 13 60.985 0.129 . 1 . . . A 150 ILE CA . 17902 1 1720 . 1 1 150 150 ILE CB C 13 38.754 0.050 . 1 . . . A 150 ILE CB . 17902 1 1721 . 1 1 150 150 ILE CG1 C 13 26.893 0.066 . 1 . . . A 150 ILE CG1 . 17902 1 1722 . 1 1 150 150 ILE CG2 C 13 16.945 0.015 . 1 . . . A 150 ILE CG2 . 17902 1 1723 . 1 1 150 150 ILE CD1 C 13 11.712 0.043 . 1 . . . A 150 ILE CD1 . 17902 1 1724 . 1 1 150 150 ILE N N 15 125.094 0.027 . 1 . . . A 150 ILE N . 17902 1 1725 . 1 1 151 151 GLU H H 1 8.929 0.006 . 1 . . . A 151 GLU H . 17902 1 1726 . 1 1 151 151 GLU HA H 1 4.865 0.007 . 1 . . . A 151 GLU HA . 17902 1 1727 . 1 1 151 151 GLU HB2 H 1 2.105 0.006 . 2 . . . A 151 GLU HB2 . 17902 1 1728 . 1 1 151 151 GLU HB3 H 1 1.940 0.006 . 2 . . . A 151 GLU HB3 . 17902 1 1729 . 1 1 151 151 GLU HG2 H 1 2.299 0.010 . 1 . . . A 151 GLU HG2 . 17902 1 1730 . 1 1 151 151 GLU HG3 H 1 2.299 0.010 . 1 . . . A 151 GLU HG3 . 17902 1 1731 . 1 1 151 151 GLU C C 13 174.295 0.100 . 1 . . . A 151 GLU C . 17902 1 1732 . 1 1 151 151 GLU CA C 13 54.687 0.118 . 1 . . . A 151 GLU CA . 17902 1 1733 . 1 1 151 151 GLU CB C 13 33.871 0.146 . 1 . . . A 151 GLU CB . 17902 1 1734 . 1 1 151 151 GLU CG C 13 36.058 0.065 . 1 . . . A 151 GLU CG . 17902 1 1735 . 1 1 151 151 GLU N N 15 126.812 0.042 . 1 . . . A 151 GLU N . 17902 1 1736 . 1 1 152 152 LYS H H 1 8.661 0.005 . 1 . . . A 152 LYS H . 17902 1 1737 . 1 1 152 152 LYS HA H 1 3.836 0.004 . 1 . . . A 152 LYS HA . 17902 1 1738 . 1 1 152 152 LYS HB2 H 1 1.712 0.005 . 2 . . . A 152 LYS HB2 . 17902 1 1739 . 1 1 152 152 LYS HB3 H 1 1.584 0.010 . 2 . . . A 152 LYS HB3 . 17902 1 1740 . 1 1 152 152 LYS HG2 H 1 1.308 0.004 . 2 . . . A 152 LYS HG2 . 17902 1 1741 . 1 1 152 152 LYS HG3 H 1 1.190 0.007 . 2 . . . A 152 LYS HG3 . 17902 1 1742 . 1 1 152 152 LYS HD2 H 1 1.567 0.005 . 1 . . . A 152 LYS HD2 . 17902 1 1743 . 1 1 152 152 LYS HD3 H 1 1.567 0.005 . 1 . . . A 152 LYS HD3 . 17902 1 1744 . 1 1 152 152 LYS HE2 H 1 2.959 0.010 . 1 . . . A 152 LYS HE2 . 17902 1 1745 . 1 1 152 152 LYS HE3 H 1 2.959 0.010 . 1 . . . A 152 LYS HE3 . 17902 1 1746 . 1 1 152 152 LYS C C 13 176.297 0.100 . 1 . . . A 152 LYS C . 17902 1 1747 . 1 1 152 152 LYS CA C 13 57.492 0.057 . 1 . . . A 152 LYS CA . 17902 1 1748 . 1 1 152 152 LYS CB C 13 33.304 0.060 . 1 . . . A 152 LYS CB . 17902 1 1749 . 1 1 152 152 LYS CG C 13 25.148 0.025 . 1 . . . A 152 LYS CG . 17902 1 1750 . 1 1 152 152 LYS CD C 13 29.290 0.129 . 1 . . . A 152 LYS CD . 17902 1 1751 . 1 1 152 152 LYS CE C 13 42.336 0.124 . 1 . . . A 152 LYS CE . 17902 1 1752 . 1 1 152 152 LYS N N 15 126.748 0.084 . 1 . . . A 152 LYS N . 17902 1 1753 . 1 1 153 153 VAL H H 1 7.898 0.004 . 1 . . . A 153 VAL H . 17902 1 1754 . 1 1 153 153 VAL HA H 1 4.027 0.012 . 1 . . . A 153 VAL HA . 17902 1 1755 . 1 1 153 153 VAL HB H 1 1.935 0.005 . 1 . . . A 153 VAL HB . 17902 1 1756 . 1 1 153 153 VAL HG11 H 1 0.837 0.006 . 1 . . . A 153 VAL HG11 . 17902 1 1757 . 1 1 153 153 VAL HG12 H 1 0.837 0.006 . 1 . . . A 153 VAL HG12 . 17902 1 1758 . 1 1 153 153 VAL HG13 H 1 0.837 0.006 . 1 . . . A 153 VAL HG13 . 17902 1 1759 . 1 1 153 153 VAL HG21 H 1 0.773 0.006 . 1 . . . A 153 VAL HG21 . 17902 1 1760 . 1 1 153 153 VAL HG22 H 1 0.773 0.006 . 1 . . . A 153 VAL HG22 . 17902 1 1761 . 1 1 153 153 VAL HG23 H 1 0.773 0.006 . 1 . . . A 153 VAL HG23 . 17902 1 1762 . 1 1 153 153 VAL CA C 13 63.513 0.059 . 1 . . . A 153 VAL CA . 17902 1 1763 . 1 1 153 153 VAL CB C 13 33.396 0.029 . 1 . . . A 153 VAL CB . 17902 1 1764 . 1 1 153 153 VAL CG1 C 13 21.651 0.010 . 1 . . . A 153 VAL CG1 . 17902 1 1765 . 1 1 153 153 VAL CG2 C 13 20.755 0.079 . 1 . . . A 153 VAL CG2 . 17902 1 1766 . 1 1 153 153 VAL N N 15 127.356 0.038 . 1 . . . A 153 VAL N . 17902 1 1767 . 2 2 1 1 NAG H1 H 1 4.677 0.010 . 1 . . . B 154 NAG H1 . 17902 1 1768 . 2 2 1 1 NAG H2 H 1 3.990 0.007 . 1 . . . B 154 NAG H2 . 17902 1 1769 . 2 2 1 1 NAG H3 H 1 3.253 0.005 . 1 . . . B 154 NAG H3 . 17902 1 1770 . 2 2 1 1 NAG H4 H 1 2.841 0.006 . 1 . . . B 154 NAG H4 . 17902 1 1771 . 2 2 1 1 NAG H5 H 1 3.356 0.002 . 1 . . . B 154 NAG H5 . 17902 1 1772 . 2 2 1 1 NAG H61 H 1 3.934 0.010 . 2 . . . B 154 NAG H61 . 17902 1 1773 . 2 2 1 1 NAG H62 H 1 3.587 0.010 . 2 . . . B 154 NAG H62 . 17902 1 1774 . 2 2 1 1 NAG HN2 H 1 7.875 0.007 . 1 . . . B 154 NAG HN2 . 17902 1 1775 . 2 2 1 1 NAG H81 H 1 1.780 0.012 . 1 . . . B 154 NAG Q8 . 17902 1 1776 . 2 2 1 1 NAG H82 H 1 1.780 0.012 . 1 . . . B 154 NAG Q8 . 17902 1 1777 . 2 2 1 1 NAG H83 H 1 1.780 0.012 . 1 . . . B 154 NAG Q8 . 17902 1 1778 . 2 2 2 2 MAG H1 H 1 4.686 0.002 . 1 . . . C 155 MAG H1 . 17902 1 1779 . 2 2 2 2 MAG H2 H 1 3.719 0.006 . 1 . . . C 155 MAG H2 . 17902 1 1780 . 2 2 2 2 MAG H3 H 1 3.921 0.011 . 1 . . . C 155 MAG H3 . 17902 1 1781 . 2 2 2 2 MAG H4 H 1 3.861 0.010 . 1 . . . C 155 MAG H4 . 17902 1 1782 . 2 2 2 2 MAG H5 H 1 3.540 0.006 . 1 . . . C 155 MAG H5 . 17902 1 1783 . 2 2 2 2 MAG H61 H 1 3.916 0.001 . 2 . . . C 155 MAG H61 . 17902 1 1784 . 2 2 2 2 MAG H62 H 1 3.709 0.007 . 2 . . . C 155 MAG H62 . 17902 1 1785 . 2 2 2 2 MAG HN2 H 1 8.539 0.008 . 1 . . . C 155 MAG HN2 . 17902 1 1786 . 2 2 2 2 MAG H81 H 1 1.759 0.013 . 1 . . . C 155 MAG Q8 . 17902 1 1787 . 2 2 2 2 MAG H82 H 1 1.759 0.013 . 1 . . . C 155 MAG Q8 . 17902 1 1788 . 2 2 2 2 MAG H83 H 1 1.759 0.013 . 1 . . . C 155 MAG Q8 . 17902 1 1789 . 2 2 3 3 FUC H1 H 1 5.313 0.012 . 1 . . . D 156 FUC H1 . 17902 1 1790 . 2 2 3 3 FUC H2 H 1 3.459 0.009 . 1 . . . D 156 FUC H2 . 17902 1 1791 . 2 2 3 3 FUC H3 H 1 4.161 0.006 . 1 . . . D 156 FUC H3 . 17902 1 1792 . 2 2 3 3 FUC H4 H 1 3.878 0.012 . 1 . . . D 156 FUC H4 . 17902 1 1793 . 2 2 3 3 FUC H5 H 1 5.054 0.007 . 1 . . . D 156 FUC H5 . 17902 1 1794 . 2 2 3 3 FUC H61 H 1 1.058 0.012 . 1 . . . D 156 FUC Q6 . 17902 1 1795 . 2 2 3 3 FUC H62 H 1 1.058 0.012 . 1 . . . D 156 FUC Q6 . 17902 1 1796 . 2 2 3 3 FUC H63 H 1 1.058 0.012 . 1 . . . D 156 FUC Q6 . 17902 1 stop_ save_