data_17890 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17890 _Entry.Title ; NMR structure of the lectin CCL2 (free) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-29 _Entry.Accession_date 2011-08-29 _Entry.Last_release_date 2012-06-04 _Entry.Original_release_date 2012-06-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Mario Schubert . . . 17890 2 Martin Walti . A. . 17890 3 Pascal Egloff . . . 17890 4 Silvia Bleuler-Martinez . . . 17890 5 Markus Aebi . . . 17890 6 Frederic Allain . F. . 17890 7 Markus Kunzler . . . 17890 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' . 17890 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID lectin . 17890 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17890 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 605 17890 '15N chemical shifts' 161 17890 '1H chemical shifts' 989 17890 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 . . 2012-06-04 2011-08-29 original author . 17890 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17902 'lectin CCL2 (+carbohydrate)' 17890 PDB 2LIE 'BMRB Entry Tracking System' 17890 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17890 _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.Entry_ID _Citation_author.Citation_ID 1 Mario Schubert . . . 17890 1 2 Silvia Bleuler-Martinez . . . 17890 1 3 Alex Butschi . . . 17890 1 4 Martin Walti . A. . 17890 1 5 Pascal Egloff . . . 17890 1 6 Katrin Stutz . . . 17890 1 7 Shi Yan . . . 17890 1 8 Iain Wilson . B.H. . 17890 1 9 Michael Hengartner . O. . 17890 1 10 Markus Aebi . . . 17890 1 11 Frederic Allain . H.-T. . 17890 1 12 Markus Kunzler . . . 17890 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17890 _Assembly.ID 1 _Assembly.Name 'CCL2 (free)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 (free)' 1 $CCL2 A . yes native no no . . . 17890 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CCL2 _Entity.Sf_category entity _Entity.Sf_framecode CCL2 _Entity.Entry_ID 17890 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CCL2 (free)' _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 . _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17902 . CCL2 . . . . . 100.00 153 100.00 100.00 5.57e-105 . . . . 17890 1 2 no PDB 2LIE . "Nmr Structure Of The Lectin Ccl2" . . . . . 100.00 153 100.00 100.00 5.57e-105 . . . . 17890 1 3 no PDB 2LIQ . "Solution Structure Of Ccl2 In Complex With Glycan" . . . . . 100.00 153 100.00 100.00 5.57e-105 . . . . 17890 1 4 no PDB 4USO . "X-ray Structure Of The Ccl2 Lectin In Complex With Sialyl Lewis X" . . . . . 100.00 153 100.00 100.00 5.57e-105 . . . . 17890 1 5 no PDB 4USP . "X-ray Structure Of The Dimeric Ccl2 Lectin In Native Form" . . . . . 100.00 153 100.00 100.00 5.57e-105 . . . . 17890 1 6 no GB ACD88750 . "CCL2 lectin [Coprinopsis cinerea]" . . . . . 92.16 142 100.00 100.00 2.37e-94 . . . . 17890 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 17890 1 2 2 GLY . 17890 1 3 3 HIS . 17890 1 4 4 HIS . 17890 1 5 5 HIS . 17890 1 6 6 HIS . 17890 1 7 7 HIS . 17890 1 8 8 HIS . 17890 1 9 9 HIS . 17890 1 10 10 HIS . 17890 1 11 11 SER . 17890 1 12 12 GLY . 17890 1 13 13 ASP . 17890 1 14 14 SER . 17890 1 15 15 PRO . 17890 1 16 16 ALA . 17890 1 17 17 VAL . 17890 1 18 18 THR . 17890 1 19 19 LEU . 17890 1 20 20 SER . 17890 1 21 21 ALA . 17890 1 22 22 GLY . 17890 1 23 23 ASN . 17890 1 24 24 TYR . 17890 1 25 25 ILE . 17890 1 26 26 ILE . 17890 1 27 27 TYR . 17890 1 28 28 ASN . 17890 1 29 29 ARG . 17890 1 30 30 VAL . 17890 1 31 31 LEU . 17890 1 32 32 SER . 17890 1 33 33 PRO . 17890 1 34 34 ARG . 17890 1 35 35 GLY . 17890 1 36 36 GLU . 17890 1 37 37 LYS . 17890 1 38 38 LEU . 17890 1 39 39 ALA . 17890 1 40 40 LEU . 17890 1 41 41 THR . 17890 1 42 42 TYR . 17890 1 43 43 PRO . 17890 1 44 44 GLY . 17890 1 45 45 ARG . 17890 1 46 46 GLN . 17890 1 47 47 ARG . 17890 1 48 48 THR . 17890 1 49 49 PRO . 17890 1 50 50 VAL . 17890 1 51 51 THR . 17890 1 52 52 VAL . 17890 1 53 53 SER . 17890 1 54 54 PRO . 17890 1 55 55 LEU . 17890 1 56 56 ASP . 17890 1 57 57 GLY . 17890 1 58 58 SER . 17890 1 59 59 SER . 17890 1 60 60 GLU . 17890 1 61 61 GLN . 17890 1 62 62 ALA . 17890 1 63 63 TRP . 17890 1 64 64 ILE . 17890 1 65 65 LEU . 17890 1 66 66 ARG . 17890 1 67 67 SER . 17890 1 68 68 TYR . 17890 1 69 69 ASP . 17890 1 70 70 SER . 17890 1 71 71 ASN . 17890 1 72 72 SER . 17890 1 73 73 ASN . 17890 1 74 74 THR . 17890 1 75 75 TRP . 17890 1 76 76 THR . 17890 1 77 77 ILE . 17890 1 78 78 SER . 17890 1 79 79 PRO . 17890 1 80 80 VAL . 17890 1 81 81 GLY . 17890 1 82 82 SER . 17890 1 83 83 PRO . 17890 1 84 84 ASN . 17890 1 85 85 SER . 17890 1 86 86 GLN . 17890 1 87 87 ILE . 17890 1 88 88 GLY . 17890 1 89 89 TRP . 17890 1 90 90 GLY . 17890 1 91 91 ALA . 17890 1 92 92 GLY . 17890 1 93 93 ASN . 17890 1 94 94 VAL . 17890 1 95 95 PRO . 17890 1 96 96 VAL . 17890 1 97 97 VAL . 17890 1 98 98 LEU . 17890 1 99 99 PRO . 17890 1 100 100 PRO . 17890 1 101 101 ASN . 17890 1 102 102 ASN . 17890 1 103 103 TYR . 17890 1 104 104 VAL . 17890 1 105 105 TRP . 17890 1 106 106 THR . 17890 1 107 107 LEU . 17890 1 108 108 THR . 17890 1 109 109 LEU . 17890 1 110 110 THR . 17890 1 111 111 SER . 17890 1 112 112 GLY . 17890 1 113 113 GLY . 17890 1 114 114 TYR . 17890 1 115 115 ASN . 17890 1 116 116 ILE . 17890 1 117 117 GLN . 17890 1 118 118 ASP . 17890 1 119 119 GLY . 17890 1 120 120 LYS . 17890 1 121 121 ARG . 17890 1 122 122 THR . 17890 1 123 123 VAL . 17890 1 124 124 SER . 17890 1 125 125 TRP . 17890 1 126 126 SER . 17890 1 127 127 LEU . 17890 1 128 128 ASN . 17890 1 129 129 ASN . 17890 1 130 130 ALA . 17890 1 131 131 THR . 17890 1 132 132 ALA . 17890 1 133 133 GLY . 17890 1 134 134 GLU . 17890 1 135 135 GLU . 17890 1 136 136 VAL . 17890 1 137 137 SER . 17890 1 138 138 ILE . 17890 1 139 139 GLY . 17890 1 140 140 ALA . 17890 1 141 141 ASP . 17890 1 142 142 ALA . 17890 1 143 143 THR . 17890 1 144 144 PHE . 17890 1 145 145 SER . 17890 1 146 146 GLY . 17890 1 147 147 ARG . 17890 1 148 148 TRP . 17890 1 149 149 VAL . 17890 1 150 150 ILE . 17890 1 151 151 GLU . 17890 1 152 152 LYS . 17890 1 153 153 VAL . 17890 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 17890 1 . GLY 2 2 17890 1 . HIS 3 3 17890 1 . HIS 4 4 17890 1 . HIS 5 5 17890 1 . HIS 6 6 17890 1 . HIS 7 7 17890 1 . HIS 8 8 17890 1 . HIS 9 9 17890 1 . HIS 10 10 17890 1 . SER 11 11 17890 1 . GLY 12 12 17890 1 . ASP 13 13 17890 1 . SER 14 14 17890 1 . PRO 15 15 17890 1 . ALA 16 16 17890 1 . VAL 17 17 17890 1 . THR 18 18 17890 1 . LEU 19 19 17890 1 . SER 20 20 17890 1 . ALA 21 21 17890 1 . GLY 22 22 17890 1 . ASN 23 23 17890 1 . TYR 24 24 17890 1 . ILE 25 25 17890 1 . ILE 26 26 17890 1 . TYR 27 27 17890 1 . ASN 28 28 17890 1 . ARG 29 29 17890 1 . VAL 30 30 17890 1 . LEU 31 31 17890 1 . SER 32 32 17890 1 . PRO 33 33 17890 1 . ARG 34 34 17890 1 . GLY 35 35 17890 1 . GLU 36 36 17890 1 . LYS 37 37 17890 1 . LEU 38 38 17890 1 . ALA 39 39 17890 1 . LEU 40 40 17890 1 . THR 41 41 17890 1 . TYR 42 42 17890 1 . PRO 43 43 17890 1 . GLY 44 44 17890 1 . ARG 45 45 17890 1 . GLN 46 46 17890 1 . ARG 47 47 17890 1 . THR 48 48 17890 1 . PRO 49 49 17890 1 . VAL 50 50 17890 1 . THR 51 51 17890 1 . VAL 52 52 17890 1 . SER 53 53 17890 1 . PRO 54 54 17890 1 . LEU 55 55 17890 1 . ASP 56 56 17890 1 . GLY 57 57 17890 1 . SER 58 58 17890 1 . SER 59 59 17890 1 . GLU 60 60 17890 1 . GLN 61 61 17890 1 . ALA 62 62 17890 1 . TRP 63 63 17890 1 . ILE 64 64 17890 1 . LEU 65 65 17890 1 . ARG 66 66 17890 1 . SER 67 67 17890 1 . TYR 68 68 17890 1 . ASP 69 69 17890 1 . SER 70 70 17890 1 . ASN 71 71 17890 1 . SER 72 72 17890 1 . ASN 73 73 17890 1 . THR 74 74 17890 1 . TRP 75 75 17890 1 . THR 76 76 17890 1 . ILE 77 77 17890 1 . SER 78 78 17890 1 . PRO 79 79 17890 1 . VAL 80 80 17890 1 . GLY 81 81 17890 1 . SER 82 82 17890 1 . PRO 83 83 17890 1 . ASN 84 84 17890 1 . SER 85 85 17890 1 . GLN 86 86 17890 1 . ILE 87 87 17890 1 . GLY 88 88 17890 1 . TRP 89 89 17890 1 . GLY 90 90 17890 1 . ALA 91 91 17890 1 . GLY 92 92 17890 1 . ASN 93 93 17890 1 . VAL 94 94 17890 1 . PRO 95 95 17890 1 . VAL 96 96 17890 1 . VAL 97 97 17890 1 . LEU 98 98 17890 1 . PRO 99 99 17890 1 . PRO 100 100 17890 1 . ASN 101 101 17890 1 . ASN 102 102 17890 1 . TYR 103 103 17890 1 . VAL 104 104 17890 1 . TRP 105 105 17890 1 . THR 106 106 17890 1 . LEU 107 107 17890 1 . THR 108 108 17890 1 . LEU 109 109 17890 1 . THR 110 110 17890 1 . SER 111 111 17890 1 . GLY 112 112 17890 1 . GLY 113 113 17890 1 . TYR 114 114 17890 1 . ASN 115 115 17890 1 . ILE 116 116 17890 1 . GLN 117 117 17890 1 . ASP 118 118 17890 1 . GLY 119 119 17890 1 . LYS 120 120 17890 1 . ARG 121 121 17890 1 . THR 122 122 17890 1 . VAL 123 123 17890 1 . SER 124 124 17890 1 . TRP 125 125 17890 1 . SER 126 126 17890 1 . LEU 127 127 17890 1 . ASN 128 128 17890 1 . ASN 129 129 17890 1 . ALA 130 130 17890 1 . THR 131 131 17890 1 . ALA 132 132 17890 1 . GLY 133 133 17890 1 . GLU 134 134 17890 1 . GLU 135 135 17890 1 . VAL 136 136 17890 1 . SER 137 137 17890 1 . ILE 138 138 17890 1 . GLY 139 139 17890 1 . ALA 140 140 17890 1 . ASP 141 141 17890 1 . ALA 142 142 17890 1 . THR 143 143 17890 1 . PHE 144 144 17890 1 . SER 145 145 17890 1 . GLY 146 146 17890 1 . ARG 147 147 17890 1 . TRP 148 148 17890 1 . VAL 149 149 17890 1 . ILE 150 150 17890 1 . GLU 151 151 17890 1 . LYS 152 152 17890 1 . VAL 153 153 17890 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17890 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CCL2 . 5346 organism . 'Coprinopsis cinerea' 'Coprinopsis cinerea' . . Eukaryota Fungi Coprinopsis cinerea . . . . . . . . . . . . . . . . . . . . . 17890 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 17890 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CCL2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22b . . . . . . 17890 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17890 _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 . . . . 17890 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17890 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17890 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17890 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17890 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17890 _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 . . . . 17890 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17890 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17890 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17890 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17890 _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 . . . . 17890 3 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17890 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17890 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17890 3 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17890 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17890 _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 . . . . 17890 4 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17890 4 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17890 4 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17890 4 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 17890 _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 17890 1 pH 5.7 . pH 17890 1 pressure 1 . atm 17890 1 temperature 310 . K 17890 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17890 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17890 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17890 1 processing 17890 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17890 _Software.ID 2 _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' . . 17890 2 'Herrmann, Guntert and Wuthrich' . . 17890 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17890 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17890 _Software.ID 3 _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' . . 17890 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17890 3 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 17890 _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 17890 _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 17890 _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 17890 _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 17890 _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 . . . 17890 1 2 spectrometer_2 Bruker Avance . 600 . . . 17890 1 3 spectrometer_3 Bruker Avance . 750 . . . 17890 1 4 spectrometer_4 Bruker Avance . 900 . . . 17890 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 17890 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17890 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 17890 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17890 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17890 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17890 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_CCL2_free _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CCL2_free _Assigned_chem_shift_list.Entry_ID 17890 _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' . . . 17890 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 HE1 H 1 2.083 0.005 . 1 . . . A 1 MET HE1 . 17890 1 2 . 1 1 1 1 MET HE2 H 1 2.083 0.005 . 1 . . . A 1 MET HE2 . 17890 1 3 . 1 1 1 1 MET HE3 H 1 2.083 0.005 . 1 . . . A 1 MET HE3 . 17890 1 4 . 1 1 1 1 MET CE C 13 16.872 0.029 . 1 . . . A 1 MET CE . 17890 1 5 . 1 1 2 2 GLY HA2 H 1 3.806 0.001 . 1 . . . A 2 GLY HA2 . 17890 1 6 . 1 1 2 2 GLY HA3 H 1 3.806 0.001 . 1 . . . A 2 GLY HA3 . 17890 1 7 . 1 1 2 2 GLY CA C 13 43.294 0.145 . 1 . . . A 2 GLY CA . 17890 1 8 . 1 1 8 8 HIS HA H 1 4.622 0.009 . 1 . . . A 8 HIS HA . 17890 1 9 . 1 1 8 8 HIS HB2 H 1 3.102 0.005 . 2 . . . A 8 HIS HB2 . 17890 1 10 . 1 1 8 8 HIS HB3 H 1 3.026 0.004 . 2 . . . A 8 HIS HB3 . 17890 1 11 . 1 1 8 8 HIS HD2 H 1 7.073 0.010 . 1 . . . A 8 HIS HD2 . 17890 1 12 . 1 1 8 8 HIS HE1 H 1 8.227 0.013 . 1 . . . A 8 HIS HE1 . 17890 1 13 . 1 1 8 8 HIS CA C 13 55.661 0.100 . 1 . . . A 8 HIS CA . 17890 1 14 . 1 1 8 8 HIS CB C 13 29.880 0.067 . 1 . . . A 8 HIS CB . 17890 1 15 . 1 1 8 8 HIS CD2 C 13 119.890 0.100 . 1 . . . A 8 HIS CD2 . 17890 1 16 . 1 1 8 8 HIS CE1 C 13 137.298 0.100 . 1 . . . A 8 HIS CE1 . 17890 1 17 . 1 1 9 9 HIS HA H 1 4.646 0.011 . 1 . . . A 9 HIS HA . 17890 1 18 . 1 1 9 9 HIS HB2 H 1 3.108 0.010 . 2 . . . A 9 HIS HB2 . 17890 1 19 . 1 1 9 9 HIS HB3 H 1 3.032 0.010 . 2 . . . A 9 HIS HB3 . 17890 1 20 . 1 1 9 9 HIS HD2 H 1 7.119 0.008 . 1 . . . A 9 HIS HD2 . 17890 1 21 . 1 1 9 9 HIS HE1 H 1 8.236 0.029 . 1 . . . A 9 HIS HE1 . 17890 1 22 . 1 1 9 9 HIS CA C 13 55.684 0.034 . 1 . . . A 9 HIS CA . 17890 1 23 . 1 1 9 9 HIS CB C 13 29.831 0.056 . 1 . . . A 9 HIS CB . 17890 1 24 . 1 1 9 9 HIS CD2 C 13 119.975 0.100 . 1 . . . A 9 HIS CD2 . 17890 1 25 . 1 1 9 9 HIS CE1 C 13 137.281 0.100 . 1 . . . A 9 HIS CE1 . 17890 1 26 . 1 1 10 10 HIS H H 1 8.583 0.004 . 1 . . . A 10 HIS H . 17890 1 27 . 1 1 10 10 HIS HA H 1 4.680 0.012 . 1 . . . A 10 HIS HA . 17890 1 28 . 1 1 10 10 HIS HB2 H 1 3.228 0.003 . 2 . . . A 10 HIS HB2 . 17890 1 29 . 1 1 10 10 HIS HB3 H 1 3.140 0.010 . 2 . . . A 10 HIS HB3 . 17890 1 30 . 1 1 10 10 HIS HD2 H 1 7.173 0.006 . 1 . . . A 10 HIS HD2 . 17890 1 31 . 1 1 10 10 HIS HE1 H 1 8.276 0.024 . 1 . . . A 10 HIS HE1 . 17890 1 32 . 1 1 10 10 HIS C C 13 174.875 0.010 . 1 . . . A 10 HIS C . 17890 1 33 . 1 1 10 10 HIS CA C 13 55.746 0.053 . 1 . . . A 10 HIS CA . 17890 1 34 . 1 1 10 10 HIS CB C 13 29.889 0.068 . 1 . . . A 10 HIS CB . 17890 1 35 . 1 1 10 10 HIS CD2 C 13 120.175 0.084 . 1 . . . A 10 HIS CD2 . 17890 1 36 . 1 1 10 10 HIS CE1 C 13 137.199 0.100 . 1 . . . A 10 HIS CE1 . 17890 1 37 . 1 1 10 10 HIS N N 15 120.811 0.014 . 1 . . . A 10 HIS N . 17890 1 38 . 1 1 11 11 SER H H 1 8.438 0.004 . 1 . . . A 11 SER H . 17890 1 39 . 1 1 11 11 SER HA H 1 4.424 0.005 . 1 . . . A 11 SER HA . 17890 1 40 . 1 1 11 11 SER HB2 H 1 3.860 0.010 . 1 . . . A 11 SER HB2 . 17890 1 41 . 1 1 11 11 SER HB3 H 1 3.860 0.010 . 1 . . . A 11 SER HB3 . 17890 1 42 . 1 1 11 11 SER C C 13 174.962 0.100 . 1 . . . A 11 SER C . 17890 1 43 . 1 1 11 11 SER CA C 13 58.660 0.131 . 1 . . . A 11 SER CA . 17890 1 44 . 1 1 11 11 SER CB C 13 63.822 0.161 . 1 . . . A 11 SER CB . 17890 1 45 . 1 1 11 11 SER N N 15 118.009 0.018 . 1 . . . A 11 SER N . 17890 1 46 . 1 1 12 12 GLY H H 1 8.433 0.006 . 1 . . . A 12 GLY H . 17890 1 47 . 1 1 12 12 GLY HA2 H 1 3.990 0.006 . 1 . . . A 12 GLY HA2 . 17890 1 48 . 1 1 12 12 GLY HA3 H 1 3.990 0.006 . 1 . . . A 12 GLY HA3 . 17890 1 49 . 1 1 12 12 GLY C C 13 173.907 0.100 . 1 . . . A 12 GLY C . 17890 1 50 . 1 1 12 12 GLY CA C 13 45.421 0.064 . 1 . . . A 12 GLY CA . 17890 1 51 . 1 1 12 12 GLY N N 15 111.011 0.017 . 1 . . . A 12 GLY N . 17890 1 52 . 1 1 13 13 ASP H H 1 8.153 0.004 . 1 . . . A 13 ASP H . 17890 1 53 . 1 1 13 13 ASP HA H 1 4.662 0.002 . 1 . . . A 13 ASP HA . 17890 1 54 . 1 1 13 13 ASP HB2 H 1 2.690 0.003 . 2 . . . A 13 ASP HB2 . 17890 1 55 . 1 1 13 13 ASP HB3 H 1 2.620 0.001 . 2 . . . A 13 ASP HB3 . 17890 1 56 . 1 1 13 13 ASP C C 13 176.115 0.100 . 1 . . . A 13 ASP C . 17890 1 57 . 1 1 13 13 ASP CA C 13 54.303 0.081 . 1 . . . A 13 ASP CA . 17890 1 58 . 1 1 13 13 ASP CB C 13 41.465 0.024 . 1 . . . A 13 ASP CB . 17890 1 59 . 1 1 13 13 ASP N N 15 120.291 0.008 . 1 . . . A 13 ASP N . 17890 1 60 . 1 1 14 14 SER H H 1 8.210 0.005 . 1 . . . A 14 SER H . 17890 1 61 . 1 1 14 14 SER HA H 1 4.754 0.006 . 1 . . . A 14 SER HA . 17890 1 62 . 1 1 14 14 SER HB2 H 1 3.870 0.006 . 2 . . . A 14 SER HB2 . 17890 1 63 . 1 1 14 14 SER HB3 H 1 3.822 0.004 . 2 . . . A 14 SER HB3 . 17890 1 64 . 1 1 14 14 SER CA C 13 56.469 0.074 . 1 . . . A 14 SER CA . 17890 1 65 . 1 1 14 14 SER CB C 13 63.553 0.124 . 1 . . . A 14 SER CB . 17890 1 66 . 1 1 14 14 SER N N 15 116.987 0.016 . 1 . . . A 14 SER N . 17890 1 67 . 1 1 15 15 PRO HA H 1 4.442 0.006 . 1 . . . A 15 PRO HA . 17890 1 68 . 1 1 15 15 PRO HB2 H 1 2.289 0.002 . 2 . . . A 15 PRO HB2 . 17890 1 69 . 1 1 15 15 PRO HB3 H 1 1.927 0.002 . 2 . . . A 15 PRO HB3 . 17890 1 70 . 1 1 15 15 PRO HG2 H 1 1.996 0.010 . 1 . . . A 15 PRO HG2 . 17890 1 71 . 1 1 15 15 PRO HG3 H 1 1.996 0.010 . 1 . . . A 15 PRO HG3 . 17890 1 72 . 1 1 15 15 PRO HD2 H 1 3.781 0.003 . 2 . . . A 15 PRO HD2 . 17890 1 73 . 1 1 15 15 PRO HD3 H 1 3.697 0.003 . 2 . . . A 15 PRO HD3 . 17890 1 74 . 1 1 15 15 PRO C C 13 176.424 0.100 . 1 . . . A 15 PRO C . 17890 1 75 . 1 1 15 15 PRO CA C 13 63.233 0.022 . 1 . . . A 15 PRO CA . 17890 1 76 . 1 1 15 15 PRO CB C 13 32.148 0.031 . 1 . . . A 15 PRO CB . 17890 1 77 . 1 1 15 15 PRO CG C 13 27.380 0.047 . 1 . . . A 15 PRO CG . 17890 1 78 . 1 1 15 15 PRO CD C 13 50.722 0.071 . 1 . . . A 15 PRO CD . 17890 1 79 . 1 1 16 16 ALA H H 1 8.284 0.005 . 1 . . . A 16 ALA H . 17890 1 80 . 1 1 16 16 ALA HA H 1 4.350 0.007 . 1 . . . A 16 ALA HA . 17890 1 81 . 1 1 16 16 ALA HB1 H 1 1.387 0.002 . 1 . . . A 16 ALA HB1 . 17890 1 82 . 1 1 16 16 ALA HB2 H 1 1.387 0.002 . 1 . . . A 16 ALA HB2 . 17890 1 83 . 1 1 16 16 ALA HB3 H 1 1.387 0.002 . 1 . . . A 16 ALA HB3 . 17890 1 84 . 1 1 16 16 ALA C C 13 177.552 0.100 . 1 . . . A 16 ALA C . 17890 1 85 . 1 1 16 16 ALA CA C 13 52.433 0.054 . 1 . . . A 16 ALA CA . 17890 1 86 . 1 1 16 16 ALA CB C 13 19.319 0.074 . 1 . . . A 16 ALA CB . 17890 1 87 . 1 1 16 16 ALA N N 15 124.219 0.014 . 1 . . . A 16 ALA N . 17890 1 88 . 1 1 17 17 VAL H H 1 8.046 0.005 . 1 . . . A 17 VAL H . 17890 1 89 . 1 1 17 17 VAL HA H 1 4.249 0.007 . 1 . . . A 17 VAL HA . 17890 1 90 . 1 1 17 17 VAL HB H 1 2.159 0.002 . 1 . . . A 17 VAL HB . 17890 1 91 . 1 1 17 17 VAL HG11 H 1 1.038 0.004 . 1 . . . A 17 VAL HG11 . 17890 1 92 . 1 1 17 17 VAL HG12 H 1 1.038 0.004 . 1 . . . A 17 VAL HG12 . 17890 1 93 . 1 1 17 17 VAL HG13 H 1 1.038 0.004 . 1 . . . A 17 VAL HG13 . 17890 1 94 . 1 1 17 17 VAL HG21 H 1 1.020 0.002 . 1 . . . A 17 VAL HG21 . 17890 1 95 . 1 1 17 17 VAL HG22 H 1 1.020 0.002 . 1 . . . A 17 VAL HG22 . 17890 1 96 . 1 1 17 17 VAL HG23 H 1 1.020 0.002 . 1 . . . A 17 VAL HG23 . 17890 1 97 . 1 1 17 17 VAL C C 13 176.322 0.100 . 1 . . . A 17 VAL C . 17890 1 98 . 1 1 17 17 VAL CA C 13 62.278 0.015 . 1 . . . A 17 VAL CA . 17890 1 99 . 1 1 17 17 VAL CB C 13 32.957 0.031 . 1 . . . A 17 VAL CB . 17890 1 100 . 1 1 17 17 VAL CG1 C 13 21.462 0.029 . 1 . . . A 17 VAL CG1 . 17890 1 101 . 1 1 17 17 VAL CG2 C 13 20.755 0.036 . 1 . . . A 17 VAL CG2 . 17890 1 102 . 1 1 17 17 VAL N N 15 119.504 0.020 . 1 . . . A 17 VAL N . 17890 1 103 . 1 1 18 18 THR H H 1 8.276 0.004 . 1 . . . A 18 THR H . 17890 1 104 . 1 1 18 18 THR HA H 1 4.473 0.004 . 1 . . . A 18 THR HA . 17890 1 105 . 1 1 18 18 THR HB H 1 4.277 0.009 . 1 . . . A 18 THR HB . 17890 1 106 . 1 1 18 18 THR HG21 H 1 1.277 0.004 . 1 . . . A 18 THR HG21 . 17890 1 107 . 1 1 18 18 THR HG22 H 1 1.277 0.004 . 1 . . . A 18 THR HG22 . 17890 1 108 . 1 1 18 18 THR HG23 H 1 1.277 0.004 . 1 . . . A 18 THR HG23 . 17890 1 109 . 1 1 18 18 THR C C 13 174.248 0.100 . 1 . . . A 18 THR C . 17890 1 110 . 1 1 18 18 THR CA C 13 61.565 0.067 . 1 . . . A 18 THR CA . 17890 1 111 . 1 1 18 18 THR CB C 13 70.165 0.129 . 1 . . . A 18 THR CB . 17890 1 112 . 1 1 18 18 THR CG2 C 13 21.753 0.071 . 1 . . . A 18 THR CG2 . 17890 1 113 . 1 1 18 18 THR N N 15 118.186 0.018 . 1 . . . A 18 THR N . 17890 1 114 . 1 1 19 19 LEU H H 1 8.091 0.009 . 1 . . . A 19 LEU H . 17890 1 115 . 1 1 19 19 LEU HA H 1 4.293 0.005 . 1 . . . A 19 LEU HA . 17890 1 116 . 1 1 19 19 LEU HB2 H 1 1.397 0.002 . 2 . . . A 19 LEU HB2 . 17890 1 117 . 1 1 19 19 LEU HB3 H 1 0.975 0.007 . 2 . . . A 19 LEU HB3 . 17890 1 118 . 1 1 19 19 LEU HG H 1 1.190 0.004 . 1 . . . A 19 LEU HG . 17890 1 119 . 1 1 19 19 LEU HD11 H 1 -0.119 0.006 . 1 . . . A 19 LEU HD11 . 17890 1 120 . 1 1 19 19 LEU HD12 H 1 -0.119 0.006 . 1 . . . A 19 LEU HD12 . 17890 1 121 . 1 1 19 19 LEU HD13 H 1 -0.119 0.006 . 1 . . . A 19 LEU HD13 . 17890 1 122 . 1 1 19 19 LEU HD21 H 1 -0.001 0.006 . 1 . . . A 19 LEU HD21 . 17890 1 123 . 1 1 19 19 LEU HD22 H 1 -0.001 0.006 . 1 . . . A 19 LEU HD22 . 17890 1 124 . 1 1 19 19 LEU HD23 H 1 -0.001 0.006 . 1 . . . A 19 LEU HD23 . 17890 1 125 . 1 1 19 19 LEU C C 13 175.689 0.100 . 1 . . . A 19 LEU C . 17890 1 126 . 1 1 19 19 LEU CA C 13 55.427 0.101 . 1 . . . A 19 LEU CA . 17890 1 127 . 1 1 19 19 LEU CB C 13 43.279 0.064 . 1 . . . A 19 LEU CB . 17890 1 128 . 1 1 19 19 LEU CG C 13 26.270 0.015 . 1 . . . A 19 LEU CG . 17890 1 129 . 1 1 19 19 LEU CD1 C 13 24.720 0.021 . 1 . . . A 19 LEU CD1 . 17890 1 130 . 1 1 19 19 LEU CD2 C 13 23.539 0.019 . 1 . . . A 19 LEU CD2 . 17890 1 131 . 1 1 19 19 LEU N N 15 125.265 0.015 . 1 . . . A 19 LEU N . 17890 1 132 . 1 1 20 20 SER H H 1 7.316 0.007 . 1 . . . A 20 SER H . 17890 1 133 . 1 1 20 20 SER HA H 1 4.947 0.005 . 1 . . . A 20 SER HA . 17890 1 134 . 1 1 20 20 SER HB2 H 1 3.990 0.004 . 1 . . . A 20 SER HB2 . 17890 1 135 . 1 1 20 20 SER HB3 H 1 3.990 0.004 . 1 . . . A 20 SER HB3 . 17890 1 136 . 1 1 20 20 SER C C 13 174.220 0.100 . 1 . . . A 20 SER C . 17890 1 137 . 1 1 20 20 SER CA C 13 56.583 0.100 . 1 . . . A 20 SER CA . 17890 1 138 . 1 1 20 20 SER CB C 13 65.653 0.058 . 1 . . . A 20 SER CB . 17890 1 139 . 1 1 20 20 SER N N 15 114.622 0.039 . 1 . . . A 20 SER N . 17890 1 140 . 1 1 21 21 ALA H H 1 8.993 0.004 . 1 . . . A 21 ALA H . 17890 1 141 . 1 1 21 21 ALA HA H 1 4.668 0.007 . 1 . . . A 21 ALA HA . 17890 1 142 . 1 1 21 21 ALA HB1 H 1 1.752 0.003 . 1 . . . A 21 ALA HB1 . 17890 1 143 . 1 1 21 21 ALA HB2 H 1 1.752 0.003 . 1 . . . A 21 ALA HB2 . 17890 1 144 . 1 1 21 21 ALA HB3 H 1 1.752 0.003 . 1 . . . A 21 ALA HB3 . 17890 1 145 . 1 1 21 21 ALA C C 13 177.960 0.100 . 1 . . . A 21 ALA C . 17890 1 146 . 1 1 21 21 ALA CA C 13 54.010 0.127 . 1 . . . A 21 ALA CA . 17890 1 147 . 1 1 21 21 ALA CB C 13 19.225 0.042 . 1 . . . A 21 ALA CB . 17890 1 148 . 1 1 21 21 ALA N N 15 125.517 0.029 . 1 . . . A 21 ALA N . 17890 1 149 . 1 1 22 22 GLY H H 1 8.411 0.009 . 1 . . . A 22 GLY H . 17890 1 150 . 1 1 22 22 GLY HA2 H 1 4.229 0.010 . 2 . . . A 22 GLY HA2 . 17890 1 151 . 1 1 22 22 GLY HA3 H 1 3.960 0.006 . 2 . . . A 22 GLY HA3 . 17890 1 152 . 1 1 22 22 GLY C C 13 170.422 0.100 . 1 . . . A 22 GLY C . 17890 1 153 . 1 1 22 22 GLY CA C 13 45.381 0.086 . 1 . . . A 22 GLY CA . 17890 1 154 . 1 1 22 22 GLY N N 15 109.543 0.022 . 1 . . . A 22 GLY N . 17890 1 155 . 1 1 23 23 ASN H H 1 8.092 0.003 . 1 . . . A 23 ASN H . 17890 1 156 . 1 1 23 23 ASN HA H 1 5.887 0.006 . 1 . . . A 23 ASN HA . 17890 1 157 . 1 1 23 23 ASN HB2 H 1 2.688 0.008 . 2 . . . A 23 ASN HB2 . 17890 1 158 . 1 1 23 23 ASN HB3 H 1 2.171 0.007 . 2 . . . A 23 ASN HB3 . 17890 1 159 . 1 1 23 23 ASN HD21 H 1 6.379 0.005 . 2 . . . A 23 ASN HD21 . 17890 1 160 . 1 1 23 23 ASN HD22 H 1 7.215 0.003 . 2 . . . A 23 ASN HD22 . 17890 1 161 . 1 1 23 23 ASN C C 13 175.207 0.100 . 1 . . . A 23 ASN C . 17890 1 162 . 1 1 23 23 ASN CA C 13 51.821 0.046 . 1 . . . A 23 ASN CA . 17890 1 163 . 1 1 23 23 ASN CB C 13 38.755 0.065 . 1 . . . A 23 ASN CB . 17890 1 164 . 1 1 23 23 ASN N N 15 119.649 0.028 . 1 . . . A 23 ASN N . 17890 1 165 . 1 1 23 23 ASN ND2 N 15 108.755 0.059 . 1 . . . A 23 ASN ND2 . 17890 1 166 . 1 1 24 24 TYR H H 1 9.914 0.008 . 1 . . . A 24 TYR H . 17890 1 167 . 1 1 24 24 TYR HA H 1 5.255 0.012 . 1 . . . A 24 TYR HA . 17890 1 168 . 1 1 24 24 TYR HB2 H 1 2.966 0.008 . 2 . . . A 24 TYR HB2 . 17890 1 169 . 1 1 24 24 TYR HB3 H 1 2.236 0.010 . 2 . . . A 24 TYR HB3 . 17890 1 170 . 1 1 24 24 TYR HD1 H 1 6.831 0.008 . 3 . . . A 24 TYR HD1 . 17890 1 171 . 1 1 24 24 TYR HD2 H 1 6.831 0.008 . 3 . . . A 24 TYR HD2 . 17890 1 172 . 1 1 24 24 TYR HE1 H 1 6.625 0.007 . 3 . . . A 24 TYR HE1 . 17890 1 173 . 1 1 24 24 TYR HE2 H 1 6.625 0.007 . 3 . . . A 24 TYR HE2 . 17890 1 174 . 1 1 24 24 TYR C C 13 175.667 0.100 . 1 . . . A 24 TYR C . 17890 1 175 . 1 1 24 24 TYR CA C 13 58.113 0.080 . 1 . . . A 24 TYR CA . 17890 1 176 . 1 1 24 24 TYR CB C 13 43.826 0.113 . 1 . . . A 24 TYR CB . 17890 1 177 . 1 1 24 24 TYR CD1 C 13 133.933 0.029 . 3 . . . A 24 TYR CD1 . 17890 1 178 . 1 1 24 24 TYR CE1 C 13 117.181 0.063 . 3 . . . A 24 TYR CE1 . 17890 1 179 . 1 1 24 24 TYR N N 15 120.889 0.030 . 1 . . . A 24 TYR N . 17890 1 180 . 1 1 25 25 ILE H H 1 9.216 0.008 . 1 . . . A 25 ILE H . 17890 1 181 . 1 1 25 25 ILE HA H 1 5.086 0.008 . 1 . . . A 25 ILE HA . 17890 1 182 . 1 1 25 25 ILE HB H 1 1.960 0.006 . 1 . . . A 25 ILE HB . 17890 1 183 . 1 1 25 25 ILE HG12 H 1 1.734 0.004 . 2 . . . A 25 ILE HG12 . 17890 1 184 . 1 1 25 25 ILE HG13 H 1 1.354 0.005 . 2 . . . A 25 ILE HG13 . 17890 1 185 . 1 1 25 25 ILE HG21 H 1 1.174 0.003 . 1 . . . A 25 ILE HG21 . 17890 1 186 . 1 1 25 25 ILE HG22 H 1 1.174 0.003 . 1 . . . A 25 ILE HG22 . 17890 1 187 . 1 1 25 25 ILE HG23 H 1 1.174 0.003 . 1 . . . A 25 ILE HG23 . 17890 1 188 . 1 1 25 25 ILE HD11 H 1 1.015 0.005 . 1 . . . A 25 ILE HD11 . 17890 1 189 . 1 1 25 25 ILE HD12 H 1 1.015 0.005 . 1 . . . A 25 ILE HD12 . 17890 1 190 . 1 1 25 25 ILE HD13 H 1 1.015 0.005 . 1 . . . A 25 ILE HD13 . 17890 1 191 . 1 1 25 25 ILE C C 13 175.200 0.100 . 1 . . . A 25 ILE C . 17890 1 192 . 1 1 25 25 ILE CA C 13 60.545 0.043 . 1 . . . A 25 ILE CA . 17890 1 193 . 1 1 25 25 ILE CB C 13 41.122 0.084 . 1 . . . A 25 ILE CB . 17890 1 194 . 1 1 25 25 ILE CG1 C 13 27.100 0.083 . 1 . . . A 25 ILE CG1 . 17890 1 195 . 1 1 25 25 ILE CG2 C 13 17.794 0.015 . 1 . . . A 25 ILE CG2 . 17890 1 196 . 1 1 25 25 ILE CD1 C 13 14.575 0.012 . 1 . . . A 25 ILE CD1 . 17890 1 197 . 1 1 25 25 ILE N N 15 115.978 0.020 . 1 . . . A 25 ILE N . 17890 1 198 . 1 1 26 26 ILE H H 1 9.559 0.009 . 1 . . . A 26 ILE H . 17890 1 199 . 1 1 26 26 ILE HA H 1 4.976 0.006 . 1 . . . A 26 ILE HA . 17890 1 200 . 1 1 26 26 ILE HB H 1 1.422 0.003 . 1 . . . A 26 ILE HB . 17890 1 201 . 1 1 26 26 ILE HG12 H 1 1.373 0.002 . 2 . . . A 26 ILE HG12 . 17890 1 202 . 1 1 26 26 ILE HG13 H 1 0.618 0.010 . 2 . . . A 26 ILE HG13 . 17890 1 203 . 1 1 26 26 ILE HG21 H 1 0.403 0.005 . 1 . . . A 26 ILE HG21 . 17890 1 204 . 1 1 26 26 ILE HG22 H 1 0.403 0.005 . 1 . . . A 26 ILE HG22 . 17890 1 205 . 1 1 26 26 ILE HG23 H 1 0.403 0.005 . 1 . . . A 26 ILE HG23 . 17890 1 206 . 1 1 26 26 ILE HD11 H 1 0.133 0.005 . 1 . . . A 26 ILE HD11 . 17890 1 207 . 1 1 26 26 ILE HD12 H 1 0.133 0.005 . 1 . . . A 26 ILE HD12 . 17890 1 208 . 1 1 26 26 ILE HD13 H 1 0.133 0.005 . 1 . . . A 26 ILE HD13 . 17890 1 209 . 1 1 26 26 ILE C C 13 174.810 0.100 . 1 . . . A 26 ILE C . 17890 1 210 . 1 1 26 26 ILE CA C 13 60.609 0.061 . 1 . . . A 26 ILE CA . 17890 1 211 . 1 1 26 26 ILE CB C 13 41.122 0.084 . 1 . . . A 26 ILE CB . 17890 1 212 . 1 1 26 26 ILE CG1 C 13 26.980 0.040 . 1 . . . A 26 ILE CG1 . 17890 1 213 . 1 1 26 26 ILE CG2 C 13 16.660 0.039 . 1 . . . A 26 ILE CG2 . 17890 1 214 . 1 1 26 26 ILE CD1 C 13 12.368 0.043 . 1 . . . A 26 ILE CD1 . 17890 1 215 . 1 1 26 26 ILE N N 15 123.957 0.042 . 1 . . . A 26 ILE N . 17890 1 216 . 1 1 27 27 TYR H H 1 9.378 0.006 . 1 . . . A 27 TYR H . 17890 1 217 . 1 1 27 27 TYR HA H 1 6.190 0.010 . 1 . . . A 27 TYR HA . 17890 1 218 . 1 1 27 27 TYR HB2 H 1 2.936 0.010 . 2 . . . A 27 TYR HB2 . 17890 1 219 . 1 1 27 27 TYR HB3 H 1 2.559 0.012 . 2 . . . A 27 TYR HB3 . 17890 1 220 . 1 1 27 27 TYR HD1 H 1 6.925 0.007 . 3 . . . A 27 TYR HD1 . 17890 1 221 . 1 1 27 27 TYR HD2 H 1 6.925 0.007 . 3 . . . A 27 TYR HD2 . 17890 1 222 . 1 1 27 27 TYR HE1 H 1 6.596 0.005 . 3 . . . A 27 TYR HE1 . 17890 1 223 . 1 1 27 27 TYR HE2 H 1 6.596 0.005 . 3 . . . A 27 TYR HE2 . 17890 1 224 . 1 1 27 27 TYR C C 13 173.963 0.100 . 1 . . . A 27 TYR C . 17890 1 225 . 1 1 27 27 TYR CA C 13 54.669 0.055 . 1 . . . A 27 TYR CA . 17890 1 226 . 1 1 27 27 TYR CB C 13 41.698 0.117 . 1 . . . A 27 TYR CB . 17890 1 227 . 1 1 27 27 TYR CD2 C 13 134.069 0.027 . 3 . . . A 27 TYR CD2 . 17890 1 228 . 1 1 27 27 TYR CE2 C 13 117.901 0.008 . 3 . . . A 27 TYR CE2 . 17890 1 229 . 1 1 27 27 TYR N N 15 121.371 0.015 . 1 . . . A 27 TYR N . 17890 1 230 . 1 1 28 28 ASN H H 1 8.466 0.006 . 1 . . . A 28 ASN H . 17890 1 231 . 1 1 28 28 ASN HA H 1 3.768 0.009 . 1 . . . A 28 ASN HA . 17890 1 232 . 1 1 28 28 ASN HB2 H 1 2.554 0.003 . 2 . . . A 28 ASN HB2 . 17890 1 233 . 1 1 28 28 ASN HB3 H 1 1.826 0.011 . 2 . . . A 28 ASN HB3 . 17890 1 234 . 1 1 28 28 ASN HD21 H 1 2.664 0.011 . 2 . . . A 28 ASN HD21 . 17890 1 235 . 1 1 28 28 ASN HD22 H 1 6.694 0.004 . 2 . . . A 28 ASN HD22 . 17890 1 236 . 1 1 28 28 ASN C C 13 174.352 0.100 . 1 . . . A 28 ASN C . 17890 1 237 . 1 1 28 28 ASN CA C 13 55.120 0.135 . 1 . . . A 28 ASN CA . 17890 1 238 . 1 1 28 28 ASN CB C 13 41.446 0.085 . 1 . . . A 28 ASN CB . 17890 1 239 . 1 1 28 28 ASN N N 15 121.991 0.028 . 1 . . . A 28 ASN N . 17890 1 240 . 1 1 28 28 ASN ND2 N 15 105.530 0.047 . 1 . . . A 28 ASN ND2 . 17890 1 241 . 1 1 29 29 ARG H H 1 7.756 0.008 . 1 . . . A 29 ARG H . 17890 1 242 . 1 1 29 29 ARG HA H 1 3.861 0.006 . 1 . . . A 29 ARG HA . 17890 1 243 . 1 1 29 29 ARG HB2 H 1 1.828 0.003 . 2 . . . A 29 ARG HB2 . 17890 1 244 . 1 1 29 29 ARG HB3 H 1 1.442 0.006 . 2 . . . A 29 ARG HB3 . 17890 1 245 . 1 1 29 29 ARG HG2 H 1 1.564 0.002 . 2 . . . A 29 ARG HG2 . 17890 1 246 . 1 1 29 29 ARG HG3 H 1 1.463 0.004 . 2 . . . A 29 ARG HG3 . 17890 1 247 . 1 1 29 29 ARG HD2 H 1 3.278 0.005 . 2 . . . A 29 ARG HD2 . 17890 1 248 . 1 1 29 29 ARG HD3 H 1 2.983 0.011 . 2 . . . A 29 ARG HD3 . 17890 1 249 . 1 1 29 29 ARG HE H 1 6.662 0.009 . 1 . . . A 29 ARG HE . 17890 1 250 . 1 1 29 29 ARG C C 13 173.635 0.100 . 1 . . . A 29 ARG C . 17890 1 251 . 1 1 29 29 ARG CA C 13 59.293 0.069 . 1 . . . A 29 ARG CA . 17890 1 252 . 1 1 29 29 ARG CB C 13 30.399 0.114 . 1 . . . A 29 ARG CB . 17890 1 253 . 1 1 29 29 ARG CG C 13 29.354 0.047 . 1 . . . A 29 ARG CG . 17890 1 254 . 1 1 29 29 ARG CD C 13 45.133 0.027 . 1 . . . A 29 ARG CD . 17890 1 255 . 1 1 29 29 ARG N N 15 121.103 0.034 . 1 . . . A 29 ARG N . 17890 1 256 . 1 1 29 29 ARG NE N 15 84.125 0.001 . 1 . . . A 29 ARG NE . 17890 1 257 . 1 1 30 30 VAL H H 1 8.976 0.006 . 1 . . . A 30 VAL H . 17890 1 258 . 1 1 30 30 VAL HA H 1 3.944 0.005 . 1 . . . A 30 VAL HA . 17890 1 259 . 1 1 30 30 VAL HB H 1 1.364 0.003 . 1 . . . A 30 VAL HB . 17890 1 260 . 1 1 30 30 VAL HG11 H 1 0.241 0.009 . 1 . . . A 30 VAL HG11 . 17890 1 261 . 1 1 30 30 VAL HG12 H 1 0.241 0.009 . 1 . . . A 30 VAL HG12 . 17890 1 262 . 1 1 30 30 VAL HG13 H 1 0.241 0.009 . 1 . . . A 30 VAL HG13 . 17890 1 263 . 1 1 30 30 VAL HG21 H 1 0.135 0.005 . 1 . . . A 30 VAL HG21 . 17890 1 264 . 1 1 30 30 VAL HG22 H 1 0.135 0.005 . 1 . . . A 30 VAL HG22 . 17890 1 265 . 1 1 30 30 VAL HG23 H 1 0.135 0.005 . 1 . . . A 30 VAL HG23 . 17890 1 266 . 1 1 30 30 VAL C C 13 176.199 0.100 . 1 . . . A 30 VAL C . 17890 1 267 . 1 1 30 30 VAL CA C 13 62.577 0.102 . 1 . . . A 30 VAL CA . 17890 1 268 . 1 1 30 30 VAL CB C 13 30.222 0.149 . 1 . . . A 30 VAL CB . 17890 1 269 . 1 1 30 30 VAL CG1 C 13 21.455 0.019 . 1 . . . A 30 VAL CG1 . 17890 1 270 . 1 1 30 30 VAL CG2 C 13 22.230 0.017 . 1 . . . A 30 VAL CG2 . 17890 1 271 . 1 1 30 30 VAL N N 15 118.412 0.038 . 1 . . . A 30 VAL N . 17890 1 272 . 1 1 31 31 LEU H H 1 8.856 0.006 . 1 . . . A 31 LEU H . 17890 1 273 . 1 1 31 31 LEU HA H 1 4.485 0.010 . 1 . . . A 31 LEU HA . 17890 1 274 . 1 1 31 31 LEU HB2 H 1 1.900 0.004 . 2 . . . A 31 LEU HB2 . 17890 1 275 . 1 1 31 31 LEU HB3 H 1 1.344 0.008 . 2 . . . A 31 LEU HB3 . 17890 1 276 . 1 1 31 31 LEU HD11 H 1 0.725 0.007 . 1 . . . A 31 LEU HD11 . 17890 1 277 . 1 1 31 31 LEU HD12 H 1 0.725 0.007 . 1 . . . A 31 LEU HD12 . 17890 1 278 . 1 1 31 31 LEU HD13 H 1 0.725 0.007 . 1 . . . A 31 LEU HD13 . 17890 1 279 . 1 1 31 31 LEU HD21 H 1 1.098 0.007 . 1 . . . A 31 LEU HD21 . 17890 1 280 . 1 1 31 31 LEU HD22 H 1 1.098 0.007 . 1 . . . A 31 LEU HD22 . 17890 1 281 . 1 1 31 31 LEU HD23 H 1 1.098 0.007 . 1 . . . A 31 LEU HD23 . 17890 1 282 . 1 1 31 31 LEU C C 13 179.123 0.100 . 1 . . . A 31 LEU C . 17890 1 283 . 1 1 31 31 LEU CA C 13 54.025 0.071 . 1 . . . A 31 LEU CA . 17890 1 284 . 1 1 31 31 LEU CB C 13 45.581 0.240 . 1 . . . A 31 LEU CB . 17890 1 285 . 1 1 31 31 LEU CD1 C 13 23.880 0.036 . 2 . . . A 31 LEU CD1 . 17890 1 286 . 1 1 31 31 LEU CD2 C 13 27.048 0.040 . 2 . . . A 31 LEU CD2 . 17890 1 287 . 1 1 31 31 LEU N N 15 125.418 0.032 . 1 . . . A 31 LEU N . 17890 1 288 . 1 1 32 32 SER H H 1 9.307 0.009 . 1 . . . A 32 SER H . 17890 1 289 . 1 1 32 32 SER HA H 1 5.365 0.009 . 1 . . . A 32 SER HA . 17890 1 290 . 1 1 32 32 SER HB2 H 1 3.887 0.003 . 1 . . . A 32 SER HB2 . 17890 1 291 . 1 1 32 32 SER HB3 H 1 3.887 0.003 . 1 . . . A 32 SER HB3 . 17890 1 292 . 1 1 32 32 SER CA C 13 57.269 0.047 . 1 . . . A 32 SER CA . 17890 1 293 . 1 1 32 32 SER CB C 13 62.213 0.069 . 1 . . . A 32 SER CB . 17890 1 294 . 1 1 32 32 SER N N 15 116.890 0.025 . 1 . . . A 32 SER N . 17890 1 295 . 1 1 33 33 PRO HA H 1 3.880 0.003 . 1 . . . A 33 PRO HA . 17890 1 296 . 1 1 33 33 PRO HB2 H 1 2.260 0.012 . 2 . . . A 33 PRO HB2 . 17890 1 297 . 1 1 33 33 PRO HB3 H 1 1.852 0.011 . 2 . . . A 33 PRO HB3 . 17890 1 298 . 1 1 33 33 PRO HG2 H 1 2.331 0.007 . 2 . . . A 33 PRO HG2 . 17890 1 299 . 1 1 33 33 PRO HG3 H 1 1.773 0.003 . 2 . . . A 33 PRO HG3 . 17890 1 300 . 1 1 33 33 PRO HD2 H 1 4.364 0.011 . 2 . . . A 33 PRO HD2 . 17890 1 301 . 1 1 33 33 PRO HD3 H 1 3.977 0.008 . 2 . . . A 33 PRO HD3 . 17890 1 302 . 1 1 33 33 PRO C C 13 175.137 0.100 . 1 . . . A 33 PRO C . 17890 1 303 . 1 1 33 33 PRO CA C 13 65.285 0.046 . 1 . . . A 33 PRO CA . 17890 1 304 . 1 1 33 33 PRO CB C 13 32.031 0.257 . 1 . . . A 33 PRO CB . 17890 1 305 . 1 1 33 33 PRO CG C 13 28.812 0.081 . 1 . . . A 33 PRO CG . 17890 1 306 . 1 1 33 33 PRO CD C 13 50.079 0.024 . 1 . . . A 33 PRO CD . 17890 1 307 . 1 1 34 34 ARG H H 1 7.257 0.006 . 1 . . . A 34 ARG H . 17890 1 308 . 1 1 34 34 ARG HA H 1 4.492 0.008 . 1 . . . A 34 ARG HA . 17890 1 309 . 1 1 34 34 ARG HB2 H 1 1.997 0.002 . 2 . . . A 34 ARG HB2 . 17890 1 310 . 1 1 34 34 ARG HB3 H 1 1.571 0.006 . 2 . . . A 34 ARG HB3 . 17890 1 311 . 1 1 34 34 ARG HG2 H 1 1.599 0.001 . 1 . . . A 34 ARG HG2 . 17890 1 312 . 1 1 34 34 ARG HG3 H 1 1.599 0.001 . 1 . . . A 34 ARG HG3 . 17890 1 313 . 1 1 34 34 ARG HD2 H 1 3.195 0.004 . 1 . . . A 34 ARG HD2 . 17890 1 314 . 1 1 34 34 ARG HD3 H 1 3.195 0.004 . 1 . . . A 34 ARG HD3 . 17890 1 315 . 1 1 34 34 ARG HE H 1 7.187 0.002 . 1 . . . A 34 ARG HE . 17890 1 316 . 1 1 34 34 ARG C C 13 176.844 0.100 . 1 . . . A 34 ARG C . 17890 1 317 . 1 1 34 34 ARG CA C 13 54.436 0.076 . 1 . . . A 34 ARG CA . 17890 1 318 . 1 1 34 34 ARG CB C 13 30.584 0.053 . 1 . . . A 34 ARG CB . 17890 1 319 . 1 1 34 34 ARG CG C 13 27.413 0.013 . 1 . . . A 34 ARG CG . 17890 1 320 . 1 1 34 34 ARG CD C 13 43.349 0.094 . 1 . . . A 34 ARG CD . 17890 1 321 . 1 1 34 34 ARG N N 15 110.279 0.030 . 1 . . . A 34 ARG N . 17890 1 322 . 1 1 34 34 ARG NE N 15 84.510 0.100 . 1 . . . A 34 ARG NE . 17890 1 323 . 1 1 35 35 GLY H H 1 8.589 0.009 . 1 . . . A 35 GLY H . 17890 1 324 . 1 1 35 35 GLY HA2 H 1 4.717 0.022 . 2 . . . A 35 GLY HA2 . 17890 1 325 . 1 1 35 35 GLY HA3 H 1 3.618 0.005 . 2 . . . A 35 GLY HA3 . 17890 1 326 . 1 1 35 35 GLY C C 13 173.336 0.100 . 1 . . . A 35 GLY C . 17890 1 327 . 1 1 35 35 GLY CA C 13 47.030 0.050 . 1 . . . A 35 GLY CA . 17890 1 328 . 1 1 35 35 GLY N N 15 110.288 0.025 . 1 . . . A 35 GLY N . 17890 1 329 . 1 1 36 36 GLU H H 1 7.769 0.006 . 1 . . . A 36 GLU H . 17890 1 330 . 1 1 36 36 GLU HA H 1 4.348 0.005 . 1 . . . A 36 GLU HA . 17890 1 331 . 1 1 36 36 GLU HB2 H 1 1.839 0.009 . 2 . . . A 36 GLU HB2 . 17890 1 332 . 1 1 36 36 GLU HB3 H 1 1.436 0.010 . 2 . . . A 36 GLU HB3 . 17890 1 333 . 1 1 36 36 GLU HG2 H 1 2.222 0.010 . 2 . . . A 36 GLU HG2 . 17890 1 334 . 1 1 36 36 GLU HG3 H 1 1.910 0.005 . 2 . . . A 36 GLU HG3 . 17890 1 335 . 1 1 36 36 GLU C C 13 176.915 0.100 . 1 . . . A 36 GLU C . 17890 1 336 . 1 1 36 36 GLU CA C 13 54.907 0.090 . 1 . . . A 36 GLU CA . 17890 1 337 . 1 1 36 36 GLU CB C 13 30.415 0.041 . 1 . . . A 36 GLU CB . 17890 1 338 . 1 1 36 36 GLU CG C 13 35.583 0.025 . 1 . . . A 36 GLU CG . 17890 1 339 . 1 1 36 36 GLU N N 15 116.838 0.025 . 1 . . . A 36 GLU N . 17890 1 340 . 1 1 37 37 LYS H H 1 8.667 0.007 . 1 . . . A 37 LYS H . 17890 1 341 . 1 1 37 37 LYS HA H 1 4.423 0.006 . 1 . . . A 37 LYS HA . 17890 1 342 . 1 1 37 37 LYS HB2 H 1 1.492 0.008 . 2 . . . A 37 LYS HB2 . 17890 1 343 . 1 1 37 37 LYS HB3 H 1 0.821 0.004 . 2 . . . A 37 LYS HB3 . 17890 1 344 . 1 1 37 37 LYS HG2 H 1 0.936 0.011 . 2 . . . A 37 LYS HG2 . 17890 1 345 . 1 1 37 37 LYS HG3 H 1 0.700 0.010 . 2 . . . A 37 LYS HG3 . 17890 1 346 . 1 1 37 37 LYS HD2 H 1 1.297 0.013 . 2 . . . A 37 LYS HD2 . 17890 1 347 . 1 1 37 37 LYS HD3 H 1 0.345 0.009 . 2 . . . A 37 LYS HD3 . 17890 1 348 . 1 1 37 37 LYS HE2 H 1 2.881 0.005 . 2 . . . A 37 LYS HE2 . 17890 1 349 . 1 1 37 37 LYS HE3 H 1 2.789 0.006 . 2 . . . A 37 LYS HE3 . 17890 1 350 . 1 1 37 37 LYS C C 13 176.067 0.100 . 1 . . . A 37 LYS C . 17890 1 351 . 1 1 37 37 LYS CA C 13 56.901 0.100 . 1 . . . A 37 LYS CA . 17890 1 352 . 1 1 37 37 LYS CB C 13 33.674 0.158 . 1 . . . A 37 LYS CB . 17890 1 353 . 1 1 37 37 LYS CG C 13 27.501 0.082 . 1 . . . A 37 LYS CG . 17890 1 354 . 1 1 37 37 LYS CD C 13 29.598 0.074 . 1 . . . A 37 LYS CD . 17890 1 355 . 1 1 37 37 LYS CE C 13 42.375 0.177 . 1 . . . A 37 LYS CE . 17890 1 356 . 1 1 37 37 LYS N N 15 123.775 0.043 . 1 . . . A 37 LYS N . 17890 1 357 . 1 1 38 38 LEU H H 1 10.455 0.006 . 1 . . . A 38 LEU H . 17890 1 358 . 1 1 38 38 LEU HA H 1 4.227 0.007 . 1 . . . A 38 LEU HA . 17890 1 359 . 1 1 38 38 LEU HB2 H 1 0.835 0.003 . 2 . . . A 38 LEU HB2 . 17890 1 360 . 1 1 38 38 LEU HB3 H 1 1.796 0.010 . 2 . . . A 38 LEU HB3 . 17890 1 361 . 1 1 38 38 LEU HG H 1 1.737 0.002 . 1 . . . A 38 LEU HG . 17890 1 362 . 1 1 38 38 LEU HD11 H 1 0.385 0.006 . 1 . . . A 38 LEU HD11 . 17890 1 363 . 1 1 38 38 LEU HD12 H 1 0.385 0.006 . 1 . . . A 38 LEU HD12 . 17890 1 364 . 1 1 38 38 LEU HD13 H 1 0.385 0.006 . 1 . . . A 38 LEU HD13 . 17890 1 365 . 1 1 38 38 LEU HD21 H 1 0.420 0.001 . 1 . . . A 38 LEU HD21 . 17890 1 366 . 1 1 38 38 LEU HD22 H 1 0.420 0.001 . 1 . . . A 38 LEU HD22 . 17890 1 367 . 1 1 38 38 LEU HD23 H 1 0.420 0.001 . 1 . . . A 38 LEU HD23 . 17890 1 368 . 1 1 38 38 LEU C C 13 174.332 0.100 . 1 . . . A 38 LEU C . 17890 1 369 . 1 1 38 38 LEU CA C 13 53.343 0.076 . 1 . . . A 38 LEU CA . 17890 1 370 . 1 1 38 38 LEU CB C 13 41.651 0.149 . 1 . . . A 38 LEU CB . 17890 1 371 . 1 1 38 38 LEU CG C 13 25.052 0.045 . 1 . . . A 38 LEU CG . 17890 1 372 . 1 1 38 38 LEU CD1 C 13 22.053 0.028 . 1 . . . A 38 LEU CD1 . 17890 1 373 . 1 1 38 38 LEU CD2 C 13 25.185 0.046 . 1 . . . A 38 LEU CD2 . 17890 1 374 . 1 1 38 38 LEU N N 15 126.658 0.043 . 1 . . . A 38 LEU N . 17890 1 375 . 1 1 39 39 ALA H H 1 8.773 0.005 . 1 . . . A 39 ALA H . 17890 1 376 . 1 1 39 39 ALA HA H 1 5.229 0.013 . 1 . . . A 39 ALA HA . 17890 1 377 . 1 1 39 39 ALA HB1 H 1 1.562 0.003 . 1 . . . A 39 ALA HB1 . 17890 1 378 . 1 1 39 39 ALA HB2 H 1 1.562 0.003 . 1 . . . A 39 ALA HB2 . 17890 1 379 . 1 1 39 39 ALA HB3 H 1 1.562 0.003 . 1 . . . A 39 ALA HB3 . 17890 1 380 . 1 1 39 39 ALA C C 13 178.694 0.100 . 1 . . . A 39 ALA C . 17890 1 381 . 1 1 39 39 ALA CA C 13 50.225 0.033 . 1 . . . A 39 ALA CA . 17890 1 382 . 1 1 39 39 ALA CB C 13 21.349 0.231 . 1 . . . A 39 ALA CB . 17890 1 383 . 1 1 39 39 ALA N N 15 127.018 0.055 . 1 . . . A 39 ALA N . 17890 1 384 . 1 1 40 40 LEU H H 1 9.665 0.008 . 1 . . . A 40 LEU H . 17890 1 385 . 1 1 40 40 LEU HA H 1 4.354 0.010 . 1 . . . A 40 LEU HA . 17890 1 386 . 1 1 40 40 LEU HB2 H 1 1.834 0.002 . 2 . . . A 40 LEU HB2 . 17890 1 387 . 1 1 40 40 LEU HB3 H 1 1.234 0.004 . 2 . . . A 40 LEU HB3 . 17890 1 388 . 1 1 40 40 LEU HG H 1 1.164 0.003 . 1 . . . A 40 LEU HG . 17890 1 389 . 1 1 40 40 LEU HD11 H 1 0.272 0.004 . 1 . . . A 40 LEU HD11 . 17890 1 390 . 1 1 40 40 LEU HD12 H 1 0.272 0.004 . 1 . . . A 40 LEU HD12 . 17890 1 391 . 1 1 40 40 LEU HD13 H 1 0.272 0.004 . 1 . . . A 40 LEU HD13 . 17890 1 392 . 1 1 40 40 LEU HD21 H 1 -0.379 0.004 . 1 . . . A 40 LEU HD21 . 17890 1 393 . 1 1 40 40 LEU HD22 H 1 -0.379 0.004 . 1 . . . A 40 LEU HD22 . 17890 1 394 . 1 1 40 40 LEU HD23 H 1 -0.379 0.004 . 1 . . . A 40 LEU HD23 . 17890 1 395 . 1 1 40 40 LEU C C 13 178.309 0.100 . 1 . . . A 40 LEU C . 17890 1 396 . 1 1 40 40 LEU CA C 13 56.845 0.055 . 1 . . . A 40 LEU CA . 17890 1 397 . 1 1 40 40 LEU CB C 13 43.323 0.234 . 1 . . . A 40 LEU CB . 17890 1 398 . 1 1 40 40 LEU CG C 13 26.454 0.028 . 1 . . . A 40 LEU CG . 17890 1 399 . 1 1 40 40 LEU CD1 C 13 25.625 0.018 . 1 . . . A 40 LEU CD1 . 17890 1 400 . 1 1 40 40 LEU CD2 C 13 24.417 0.020 . 1 . . . A 40 LEU CD2 . 17890 1 401 . 1 1 40 40 LEU N N 15 126.771 0.044 . 1 . . . A 40 LEU N . 17890 1 402 . 1 1 41 41 THR H H 1 9.802 0.010 . 1 . . . A 41 THR H . 17890 1 403 . 1 1 41 41 THR HA H 1 4.916 0.008 . 1 . . . A 41 THR HA . 17890 1 404 . 1 1 41 41 THR HB H 1 3.999 0.003 . 1 . . . A 41 THR HB . 17890 1 405 . 1 1 41 41 THR HG21 H 1 1.003 0.008 . 1 . . . A 41 THR HG21 . 17890 1 406 . 1 1 41 41 THR HG22 H 1 1.003 0.008 . 1 . . . A 41 THR HG22 . 17890 1 407 . 1 1 41 41 THR HG23 H 1 1.003 0.008 . 1 . . . A 41 THR HG23 . 17890 1 408 . 1 1 41 41 THR C C 13 172.547 0.100 . 1 . . . A 41 THR C . 17890 1 409 . 1 1 41 41 THR CA C 13 63.253 0.022 . 1 . . . A 41 THR CA . 17890 1 410 . 1 1 41 41 THR CB C 13 71.832 0.072 . 1 . . . A 41 THR CB . 17890 1 411 . 1 1 41 41 THR CG2 C 13 20.284 0.050 . 1 . . . A 41 THR CG2 . 17890 1 412 . 1 1 41 41 THR N N 15 126.578 0.027 . 1 . . . A 41 THR N . 17890 1 413 . 1 1 42 42 TYR H H 1 9.428 0.006 . 1 . . . A 42 TYR H . 17890 1 414 . 1 1 42 42 TYR HA H 1 5.102 0.007 . 1 . . . A 42 TYR HA . 17890 1 415 . 1 1 42 42 TYR HB2 H 1 3.046 0.009 . 2 . . . A 42 TYR HB2 . 17890 1 416 . 1 1 42 42 TYR HB3 H 1 2.800 0.010 . 2 . . . A 42 TYR HB3 . 17890 1 417 . 1 1 42 42 TYR HD1 H 1 7.180 0.009 . 3 . . . A 42 TYR HD1 . 17890 1 418 . 1 1 42 42 TYR HD2 H 1 7.180 0.009 . 3 . . . A 42 TYR HD2 . 17890 1 419 . 1 1 42 42 TYR HE1 H 1 6.706 0.010 . 3 . . . A 42 TYR HE1 . 17890 1 420 . 1 1 42 42 TYR HE2 H 1 6.706 0.010 . 3 . . . A 42 TYR HE2 . 17890 1 421 . 1 1 42 42 TYR CA C 13 53.986 0.037 . 1 . . . A 42 TYR CA . 17890 1 422 . 1 1 42 42 TYR CB C 13 39.155 0.083 . 1 . . . A 42 TYR CB . 17890 1 423 . 1 1 42 42 TYR CD1 C 13 132.550 0.046 . 3 . . . A 42 TYR CD1 . 17890 1 424 . 1 1 42 42 TYR CE1 C 13 118.269 0.009 . 3 . . . A 42 TYR CE1 . 17890 1 425 . 1 1 42 42 TYR N N 15 130.506 0.025 . 1 . . . A 42 TYR N . 17890 1 426 . 1 1 43 43 PRO HA H 1 4.490 0.003 . 1 . . . A 43 PRO HA . 17890 1 427 . 1 1 43 43 PRO HB2 H 1 2.463 0.005 . 2 . . . A 43 PRO HB2 . 17890 1 428 . 1 1 43 43 PRO HB3 H 1 1.828 0.003 . 2 . . . A 43 PRO HB3 . 17890 1 429 . 1 1 43 43 PRO HG2 H 1 2.172 0.006 . 2 . . . A 43 PRO HG2 . 17890 1 430 . 1 1 43 43 PRO HG3 H 1 1.791 0.009 . 2 . . . A 43 PRO HG3 . 17890 1 431 . 1 1 43 43 PRO HD2 H 1 4.408 0.009 . 2 . . . A 43 PRO HD2 . 17890 1 432 . 1 1 43 43 PRO HD3 H 1 3.859 0.006 . 2 . . . A 43 PRO HD3 . 17890 1 433 . 1 1 43 43 PRO CA C 13 63.573 0.077 . 1 . . . A 43 PRO CA . 17890 1 434 . 1 1 43 43 PRO CB C 13 32.644 0.077 . 1 . . . A 43 PRO CB . 17890 1 435 . 1 1 43 43 PRO CG C 13 27.503 0.073 . 1 . . . A 43 PRO CG . 17890 1 436 . 1 1 43 43 PRO CD C 13 52.351 0.099 . 1 . . . A 43 PRO CD . 17890 1 437 . 1 1 44 44 GLY H H 1 8.337 0.002 . 1 . . . A 44 GLY H . 17890 1 438 . 1 1 44 44 GLY HA2 H 1 4.059 0.007 . 2 . . . A 44 GLY HA2 . 17890 1 439 . 1 1 44 44 GLY HA3 H 1 3.129 0.006 . 2 . . . A 44 GLY HA3 . 17890 1 440 . 1 1 44 44 GLY C C 13 171.790 0.100 . 1 . . . A 44 GLY C . 17890 1 441 . 1 1 44 44 GLY CA C 13 45.716 0.097 . 1 . . . A 44 GLY CA . 17890 1 442 . 1 1 44 44 GLY N N 15 113.736 0.015 . 1 . . . A 44 GLY N . 17890 1 443 . 1 1 45 45 ARG H H 1 6.463 0.009 . 1 . . . A 45 ARG H . 17890 1 444 . 1 1 45 45 ARG HA H 1 4.576 0.002 . 1 . . . A 45 ARG HA . 17890 1 445 . 1 1 45 45 ARG HB2 H 1 1.945 0.002 . 2 . . . A 45 ARG HB2 . 17890 1 446 . 1 1 45 45 ARG HB3 H 1 1.640 0.004 . 2 . . . A 45 ARG HB3 . 17890 1 447 . 1 1 45 45 ARG HG2 H 1 1.463 0.010 . 1 . . . A 45 ARG HG2 . 17890 1 448 . 1 1 45 45 ARG HG3 H 1 1.463 0.010 . 1 . . . A 45 ARG HG3 . 17890 1 449 . 1 1 45 45 ARG HD2 H 1 3.142 0.004 . 1 . . . A 45 ARG HD2 . 17890 1 450 . 1 1 45 45 ARG HD3 H 1 3.142 0.004 . 1 . . . A 45 ARG HD3 . 17890 1 451 . 1 1 45 45 ARG HE H 1 7.025 0.003 . 1 . . . A 45 ARG HE . 17890 1 452 . 1 1 45 45 ARG C C 13 175.151 0.100 . 1 . . . A 45 ARG C . 17890 1 453 . 1 1 45 45 ARG CA C 13 54.165 0.061 . 1 . . . A 45 ARG CA . 17890 1 454 . 1 1 45 45 ARG CB C 13 33.219 0.065 . 1 . . . A 45 ARG CB . 17890 1 455 . 1 1 45 45 ARG CG C 13 25.643 0.030 . 1 . . . A 45 ARG CG . 17890 1 456 . 1 1 45 45 ARG CD C 13 43.544 0.072 . 1 . . . A 45 ARG CD . 17890 1 457 . 1 1 45 45 ARG N N 15 113.899 0.015 . 1 . . . A 45 ARG N . 17890 1 458 . 1 1 45 45 ARG NE N 15 85.021 0.100 . 1 . . . A 45 ARG NE . 17890 1 459 . 1 1 46 46 GLN H H 1 8.683 0.007 . 1 . . . A 46 GLN H . 17890 1 460 . 1 1 46 46 GLN HA H 1 4.449 0.010 . 1 . . . A 46 GLN HA . 17890 1 461 . 1 1 46 46 GLN HB2 H 1 2.418 0.005 . 2 . . . A 46 GLN HB2 . 17890 1 462 . 1 1 46 46 GLN HB3 H 1 2.062 0.010 . 2 . . . A 46 GLN HB3 . 17890 1 463 . 1 1 46 46 GLN HG2 H 1 2.642 0.007 . 2 . . . A 46 GLN HG2 . 17890 1 464 . 1 1 46 46 GLN HG3 H 1 2.192 0.006 . 2 . . . A 46 GLN HG3 . 17890 1 465 . 1 1 46 46 GLN HE21 H 1 6.677 0.007 . 2 . . . A 46 GLN HE21 . 17890 1 466 . 1 1 46 46 GLN HE22 H 1 7.107 0.007 . 2 . . . A 46 GLN HE22 . 17890 1 467 . 1 1 46 46 GLN C C 13 177.282 0.100 . 1 . . . A 46 GLN C . 17890 1 468 . 1 1 46 46 GLN CA C 13 56.613 0.090 . 1 . . . A 46 GLN CA . 17890 1 469 . 1 1 46 46 GLN CB C 13 30.496 0.137 . 1 . . . A 46 GLN CB . 17890 1 470 . 1 1 46 46 GLN CG C 13 35.002 0.068 . 1 . . . A 46 GLN CG . 17890 1 471 . 1 1 46 46 GLN N N 15 119.000 0.015 . 1 . . . A 46 GLN N . 17890 1 472 . 1 1 46 46 GLN NE2 N 15 108.388 0.018 . 1 . . . A 46 GLN NE2 . 17890 1 473 . 1 1 47 47 ARG H H 1 9.677 0.009 . 1 . . . A 47 ARG H . 17890 1 474 . 1 1 47 47 ARG HA H 1 3.530 0.004 . 1 . . . A 47 ARG HA . 17890 1 475 . 1 1 47 47 ARG HB2 H 1 1.665 0.006 . 2 . . . A 47 ARG HB2 . 17890 1 476 . 1 1 47 47 ARG HB3 H 1 1.625 0.001 . 2 . . . A 47 ARG HB3 . 17890 1 477 . 1 1 47 47 ARG HG2 H 1 2.144 0.006 . 2 . . . A 47 ARG HG2 . 17890 1 478 . 1 1 47 47 ARG HG3 H 1 2.053 0.006 . 2 . . . A 47 ARG HG3 . 17890 1 479 . 1 1 47 47 ARG HD2 H 1 3.333 0.002 . 2 . . . A 47 ARG HD2 . 17890 1 480 . 1 1 47 47 ARG HD3 H 1 3.254 0.002 . 2 . . . A 47 ARG HD3 . 17890 1 481 . 1 1 47 47 ARG HE H 1 7.427 0.010 . 1 . . . A 47 ARG HE . 17890 1 482 . 1 1 47 47 ARG C C 13 174.130 0.100 . 1 . . . A 47 ARG C . 17890 1 483 . 1 1 47 47 ARG CA C 13 58.816 0.085 . 1 . . . A 47 ARG CA . 17890 1 484 . 1 1 47 47 ARG CB C 13 29.070 0.752 . 1 . . . A 47 ARG CB . 17890 1 485 . 1 1 47 47 ARG CG C 13 27.818 0.090 . 1 . . . A 47 ARG CG . 17890 1 486 . 1 1 47 47 ARG CD C 13 43.376 0.072 . 1 . . . A 47 ARG CD . 17890 1 487 . 1 1 47 47 ARG N N 15 113.526 0.028 . 1 . . . A 47 ARG N . 17890 1 488 . 1 1 47 47 ARG NE N 15 85.235 0.100 . 1 . . . A 47 ARG NE . 17890 1 489 . 1 1 48 48 THR H H 1 8.104 0.008 . 1 . . . A 48 THR H . 17890 1 490 . 1 1 48 48 THR HA H 1 4.938 0.007 . 1 . . . A 48 THR HA . 17890 1 491 . 1 1 48 48 THR HB H 1 3.666 0.005 . 1 . . . A 48 THR HB . 17890 1 492 . 1 1 48 48 THR HG21 H 1 1.196 0.005 . 1 . . . A 48 THR HG21 . 17890 1 493 . 1 1 48 48 THR HG22 H 1 1.196 0.005 . 1 . . . A 48 THR HG22 . 17890 1 494 . 1 1 48 48 THR HG23 H 1 1.196 0.005 . 1 . . . A 48 THR HG23 . 17890 1 495 . 1 1 48 48 THR CA C 13 59.987 0.068 . 1 . . . A 48 THR CA . 17890 1 496 . 1 1 48 48 THR CB C 13 71.947 0.081 . 1 . . . A 48 THR CB . 17890 1 497 . 1 1 48 48 THR CG2 C 13 20.719 0.050 . 1 . . . A 48 THR CG2 . 17890 1 498 . 1 1 48 48 THR N N 15 114.672 0.044 . 1 . . . A 48 THR N . 17890 1 499 . 1 1 49 49 PRO HA H 1 4.368 0.005 . 1 . . . A 49 PRO HA . 17890 1 500 . 1 1 49 49 PRO HB2 H 1 2.083 0.002 . 2 . . . A 49 PRO HB2 . 17890 1 501 . 1 1 49 49 PRO HB3 H 1 1.792 0.005 . 2 . . . A 49 PRO HB3 . 17890 1 502 . 1 1 49 49 PRO HG2 H 1 2.172 0.008 . 2 . . . A 49 PRO HG2 . 17890 1 503 . 1 1 49 49 PRO HG3 H 1 1.817 0.016 . 2 . . . A 49 PRO HG3 . 17890 1 504 . 1 1 49 49 PRO HD2 H 1 3.981 0.004 . 2 . . . A 49 PRO HD2 . 17890 1 505 . 1 1 49 49 PRO HD3 H 1 3.692 0.004 . 2 . . . A 49 PRO HD3 . 17890 1 506 . 1 1 49 49 PRO C C 13 175.651 0.100 . 1 . . . A 49 PRO C . 17890 1 507 . 1 1 49 49 PRO CA C 13 64.181 0.023 . 1 . . . A 49 PRO CA . 17890 1 508 . 1 1 49 49 PRO CB C 13 32.697 0.076 . 1 . . . A 49 PRO CB . 17890 1 509 . 1 1 49 49 PRO CG C 13 27.972 0.143 . 1 . . . A 49 PRO CG . 17890 1 510 . 1 1 49 49 PRO CD C 13 51.950 0.129 . 1 . . . A 49 PRO CD . 17890 1 511 . 1 1 50 50 VAL H H 1 8.123 0.005 . 1 . . . A 50 VAL H . 17890 1 512 . 1 1 50 50 VAL HA H 1 3.947 0.006 . 1 . . . A 50 VAL HA . 17890 1 513 . 1 1 50 50 VAL HB H 1 1.650 0.003 . 1 . . . A 50 VAL HB . 17890 1 514 . 1 1 50 50 VAL HG11 H 1 0.962 0.003 . 1 . . . A 50 VAL HG11 . 17890 1 515 . 1 1 50 50 VAL HG12 H 1 0.962 0.003 . 1 . . . A 50 VAL HG12 . 17890 1 516 . 1 1 50 50 VAL HG13 H 1 0.962 0.003 . 1 . . . A 50 VAL HG13 . 17890 1 517 . 1 1 50 50 VAL HG21 H 1 0.880 0.002 . 1 . . . A 50 VAL HG21 . 17890 1 518 . 1 1 50 50 VAL HG22 H 1 0.880 0.002 . 1 . . . A 50 VAL HG22 . 17890 1 519 . 1 1 50 50 VAL HG23 H 1 0.880 0.002 . 1 . . . A 50 VAL HG23 . 17890 1 520 . 1 1 50 50 VAL C C 13 174.493 0.100 . 1 . . . A 50 VAL C . 17890 1 521 . 1 1 50 50 VAL CA C 13 63.811 0.090 . 1 . . . A 50 VAL CA . 17890 1 522 . 1 1 50 50 VAL CB C 13 32.168 0.161 . 1 . . . A 50 VAL CB . 17890 1 523 . 1 1 50 50 VAL CG1 C 13 22.174 0.040 . 1 . . . A 50 VAL CG1 . 17890 1 524 . 1 1 50 50 VAL CG2 C 13 22.100 0.019 . 1 . . . A 50 VAL CG2 . 17890 1 525 . 1 1 50 50 VAL N N 15 122.562 0.039 . 1 . . . A 50 VAL N . 17890 1 526 . 1 1 51 51 THR H H 1 7.057 0.011 . 1 . . . A 51 THR H . 17890 1 527 . 1 1 51 51 THR HA H 1 5.372 0.008 . 1 . . . A 51 THR HA . 17890 1 528 . 1 1 51 51 THR HB H 1 3.983 0.002 . 1 . . . A 51 THR HB . 17890 1 529 . 1 1 51 51 THR HG21 H 1 1.062 0.003 . 1 . . . A 51 THR HG21 . 17890 1 530 . 1 1 51 51 THR HG22 H 1 1.062 0.003 . 1 . . . A 51 THR HG22 . 17890 1 531 . 1 1 51 51 THR HG23 H 1 1.062 0.003 . 1 . . . A 51 THR HG23 . 17890 1 532 . 1 1 51 51 THR C C 13 174.841 0.100 . 1 . . . A 51 THR C . 17890 1 533 . 1 1 51 51 THR CA C 13 59.196 0.055 . 1 . . . A 51 THR CA . 17890 1 534 . 1 1 51 51 THR CB C 13 72.703 0.056 . 1 . . . A 51 THR CB . 17890 1 535 . 1 1 51 51 THR CG2 C 13 21.936 0.039 . 1 . . . A 51 THR CG2 . 17890 1 536 . 1 1 51 51 THR N N 15 113.549 0.021 . 1 . . . A 51 THR N . 17890 1 537 . 1 1 52 52 VAL H H 1 8.062 0.008 . 1 . . . A 52 VAL H . 17890 1 538 . 1 1 52 52 VAL HA H 1 5.514 0.004 . 1 . . . A 52 VAL HA . 17890 1 539 . 1 1 52 52 VAL HB H 1 1.820 0.005 . 1 . . . A 52 VAL HB . 17890 1 540 . 1 1 52 52 VAL HG11 H 1 1.113 0.002 . 1 . . . A 52 VAL HG11 . 17890 1 541 . 1 1 52 52 VAL HG12 H 1 1.113 0.002 . 1 . . . A 52 VAL HG12 . 17890 1 542 . 1 1 52 52 VAL HG13 H 1 1.113 0.002 . 1 . . . A 52 VAL HG13 . 17890 1 543 . 1 1 52 52 VAL HG21 H 1 0.980 0.012 . 1 . . . A 52 VAL HG21 . 17890 1 544 . 1 1 52 52 VAL HG22 H 1 0.980 0.012 . 1 . . . A 52 VAL HG22 . 17890 1 545 . 1 1 52 52 VAL HG23 H 1 0.980 0.012 . 1 . . . A 52 VAL HG23 . 17890 1 546 . 1 1 52 52 VAL C C 13 175.697 0.100 . 1 . . . A 52 VAL C . 17890 1 547 . 1 1 52 52 VAL CA C 13 58.472 0.068 . 1 . . . A 52 VAL CA . 17890 1 548 . 1 1 52 52 VAL CB C 13 34.774 0.108 . 1 . . . A 52 VAL CB . 17890 1 549 . 1 1 52 52 VAL CG1 C 13 19.454 0.039 . 1 . . . A 52 VAL CG1 . 17890 1 550 . 1 1 52 52 VAL CG2 C 13 22.124 0.079 . 1 . . . A 52 VAL CG2 . 17890 1 551 . 1 1 52 52 VAL N N 15 107.374 0.022 . 1 . . . A 52 VAL N . 17890 1 552 . 1 1 53 53 SER H H 1 8.681 0.010 . 1 . . . A 53 SER H . 17890 1 553 . 1 1 53 53 SER HA H 1 4.690 0.005 . 1 . . . A 53 SER HA . 17890 1 554 . 1 1 53 53 SER HB2 H 1 3.948 0.002 . 2 . . . A 53 SER HB2 . 17890 1 555 . 1 1 53 53 SER HB3 H 1 3.853 0.003 . 2 . . . A 53 SER HB3 . 17890 1 556 . 1 1 53 53 SER CA C 13 56.828 0.160 . 1 . . . A 53 SER CA . 17890 1 557 . 1 1 53 53 SER CB C 13 64.789 0.295 . 1 . . . A 53 SER CB . 17890 1 558 . 1 1 53 53 SER N N 15 114.662 0.038 . 1 . . . A 53 SER N . 17890 1 559 . 1 1 54 54 PRO HA H 1 4.776 0.008 . 1 . . . A 54 PRO HA . 17890 1 560 . 1 1 54 54 PRO HB2 H 1 2.138 0.001 . 2 . . . A 54 PRO HB2 . 17890 1 561 . 1 1 54 54 PRO HB3 H 1 1.835 0.006 . 2 . . . A 54 PRO HB3 . 17890 1 562 . 1 1 54 54 PRO HG2 H 1 2.144 0.007 . 2 . . . A 54 PRO HG2 . 17890 1 563 . 1 1 54 54 PRO HG3 H 1 1.521 0.005 . 2 . . . A 54 PRO HG3 . 17890 1 564 . 1 1 54 54 PRO HD2 H 1 3.695 0.005 . 2 . . . A 54 PRO HD2 . 17890 1 565 . 1 1 54 54 PRO HD3 H 1 3.481 0.004 . 2 . . . A 54 PRO HD3 . 17890 1 566 . 1 1 54 54 PRO C C 13 177.724 0.100 . 1 . . . A 54 PRO C . 17890 1 567 . 1 1 54 54 PRO CA C 13 63.425 0.074 . 1 . . . A 54 PRO CA . 17890 1 568 . 1 1 54 54 PRO CB C 13 32.097 0.135 . 1 . . . A 54 PRO CB . 17890 1 569 . 1 1 54 54 PRO CG C 13 28.265 0.025 . 1 . . . A 54 PRO CG . 17890 1 570 . 1 1 54 54 PRO CD C 13 51.021 0.057 . 1 . . . A 54 PRO CD . 17890 1 571 . 1 1 55 55 LEU H H 1 8.675 0.005 . 1 . . . A 55 LEU H . 17890 1 572 . 1 1 55 55 LEU HA H 1 4.527 0.006 . 1 . . . A 55 LEU HA . 17890 1 573 . 1 1 55 55 LEU HB2 H 1 1.690 0.004 . 2 . . . A 55 LEU HB2 . 17890 1 574 . 1 1 55 55 LEU HB3 H 1 1.169 0.011 . 2 . . . A 55 LEU HB3 . 17890 1 575 . 1 1 55 55 LEU HG H 1 1.512 0.003 . 1 . . . A 55 LEU HG . 17890 1 576 . 1 1 55 55 LEU HD11 H 1 0.826 0.001 . 1 . . . A 55 LEU HD11 . 17890 1 577 . 1 1 55 55 LEU HD12 H 1 0.826 0.001 . 1 . . . A 55 LEU HD12 . 17890 1 578 . 1 1 55 55 LEU HD13 H 1 0.826 0.001 . 1 . . . A 55 LEU HD13 . 17890 1 579 . 1 1 55 55 LEU HD21 H 1 0.697 0.001 . 1 . . . A 55 LEU HD21 . 17890 1 580 . 1 1 55 55 LEU HD22 H 1 0.697 0.001 . 1 . . . A 55 LEU HD22 . 17890 1 581 . 1 1 55 55 LEU HD23 H 1 0.697 0.001 . 1 . . . A 55 LEU HD23 . 17890 1 582 . 1 1 55 55 LEU C C 13 178.696 0.100 . 1 . . . A 55 LEU C . 17890 1 583 . 1 1 55 55 LEU CA C 13 56.246 0.044 . 1 . . . A 55 LEU CA . 17890 1 584 . 1 1 55 55 LEU CB C 13 43.606 0.028 . 1 . . . A 55 LEU CB . 17890 1 585 . 1 1 55 55 LEU CG C 13 27.209 0.017 . 1 . . . A 55 LEU CG . 17890 1 586 . 1 1 55 55 LEU CD1 C 13 25.944 0.018 . 1 . . . A 55 LEU CD1 . 17890 1 587 . 1 1 55 55 LEU CD2 C 13 25.950 0.033 . 1 . . . A 55 LEU CD2 . 17890 1 588 . 1 1 55 55 LEU N N 15 128.655 0.096 . 1 . . . A 55 LEU N . 17890 1 589 . 1 1 56 56 ASP H H 1 9.683 0.010 . 1 . . . A 56 ASP H . 17890 1 590 . 1 1 56 56 ASP HA H 1 4.709 0.008 . 1 . . . A 56 ASP HA . 17890 1 591 . 1 1 56 56 ASP HB2 H 1 2.994 0.009 . 2 . . . A 56 ASP HB2 . 17890 1 592 . 1 1 56 56 ASP HB3 H 1 2.536 0.005 . 2 . . . A 56 ASP HB3 . 17890 1 593 . 1 1 56 56 ASP C C 13 177.729 0.100 . 1 . . . A 56 ASP C . 17890 1 594 . 1 1 56 56 ASP CA C 13 53.623 0.039 . 1 . . . A 56 ASP CA . 17890 1 595 . 1 1 56 56 ASP CB C 13 41.632 0.104 . 1 . . . A 56 ASP CB . 17890 1 596 . 1 1 56 56 ASP N N 15 126.651 0.045 . 1 . . . A 56 ASP N . 17890 1 597 . 1 1 57 57 GLY H H 1 8.157 0.005 . 1 . . . A 57 GLY H . 17890 1 598 . 1 1 57 57 GLY HA2 H 1 4.103 0.007 . 2 . . . A 57 GLY HA2 . 17890 1 599 . 1 1 57 57 GLY HA3 H 1 3.755 0.006 . 2 . . . A 57 GLY HA3 . 17890 1 600 . 1 1 57 57 GLY C C 13 174.558 0.100 . 1 . . . A 57 GLY C . 17890 1 601 . 1 1 57 57 GLY CA C 13 45.955 0.082 . 1 . . . A 57 GLY CA . 17890 1 602 . 1 1 57 57 GLY N N 15 109.299 0.029 . 1 . . . A 57 GLY N . 17890 1 603 . 1 1 58 58 SER H H 1 8.328 0.006 . 1 . . . A 58 SER H . 17890 1 604 . 1 1 58 58 SER HA H 1 4.288 0.014 . 1 . . . A 58 SER HA . 17890 1 605 . 1 1 58 58 SER HB2 H 1 4.212 0.005 . 2 . . . A 58 SER HB2 . 17890 1 606 . 1 1 58 58 SER HB3 H 1 3.933 0.006 . 2 . . . A 58 SER HB3 . 17890 1 607 . 1 1 58 58 SER C C 13 177.252 0.100 . 1 . . . A 58 SER C . 17890 1 608 . 1 1 58 58 SER CA C 13 58.737 0.063 . 1 . . . A 58 SER CA . 17890 1 609 . 1 1 58 58 SER CB C 13 64.576 0.133 . 1 . . . A 58 SER CB . 17890 1 610 . 1 1 58 58 SER N N 15 116.740 0.019 . 1 . . . A 58 SER N . 17890 1 611 . 1 1 59 59 SER H H 1 9.020 0.005 . 1 . . . A 59 SER H . 17890 1 612 . 1 1 59 59 SER HA H 1 4.046 0.011 . 1 . . . A 59 SER HA . 17890 1 613 . 1 1 59 59 SER HB2 H 1 3.804 0.005 . 1 . . . A 59 SER HB2 . 17890 1 614 . 1 1 59 59 SER HB3 H 1 3.804 0.005 . 1 . . . A 59 SER HB3 . 17890 1 615 . 1 1 59 59 SER C C 13 176.671 0.100 . 1 . . . A 59 SER C . 17890 1 616 . 1 1 59 59 SER CA C 13 61.691 0.080 . 1 . . . A 59 SER CA . 17890 1 617 . 1 1 59 59 SER CB C 13 63.154 0.732 . 1 . . . A 59 SER CB . 17890 1 618 . 1 1 59 59 SER N N 15 119.768 0.032 . 1 . . . A 59 SER N . 17890 1 619 . 1 1 60 60 GLU H H 1 8.832 0.005 . 1 . . . A 60 GLU H . 17890 1 620 . 1 1 60 60 GLU HA H 1 4.186 0.005 . 1 . . . A 60 GLU HA . 17890 1 621 . 1 1 60 60 GLU HB2 H 1 2.446 0.008 . 2 . . . A 60 GLU HB2 . 17890 1 622 . 1 1 60 60 GLU HB3 H 1 2.217 0.010 . 2 . . . A 60 GLU HB3 . 17890 1 623 . 1 1 60 60 GLU HG2 H 1 2.669 0.003 . 2 . . . A 60 GLU HG2 . 17890 1 624 . 1 1 60 60 GLU HG3 H 1 2.292 0.003 . 2 . . . A 60 GLU HG3 . 17890 1 625 . 1 1 60 60 GLU C C 13 177.435 0.100 . 1 . . . A 60 GLU C . 17890 1 626 . 1 1 60 60 GLU CA C 13 60.033 0.108 . 1 . . . A 60 GLU CA . 17890 1 627 . 1 1 60 60 GLU CB C 13 28.226 0.073 . 1 . . . A 60 GLU CB . 17890 1 628 . 1 1 60 60 GLU CG C 13 38.158 0.041 . 1 . . . A 60 GLU CG . 17890 1 629 . 1 1 60 60 GLU N N 15 119.133 0.010 . 1 . . . A 60 GLU N . 17890 1 630 . 1 1 61 61 GLN H H 1 7.648 0.008 . 1 . . . A 61 GLN H . 17890 1 631 . 1 1 61 61 GLN HA H 1 5.177 0.010 . 1 . . . A 61 GLN HA . 17890 1 632 . 1 1 61 61 GLN HB2 H 1 2.399 0.006 . 2 . . . A 61 GLN HB2 . 17890 1 633 . 1 1 61 61 GLN HB3 H 1 2.028 0.006 . 2 . . . A 61 GLN HB3 . 17890 1 634 . 1 1 61 61 GLN HG2 H 1 2.428 0.010 . 2 . . . A 61 GLN HG2 . 17890 1 635 . 1 1 61 61 GLN HG3 H 1 2.321 0.009 . 2 . . . A 61 GLN HG3 . 17890 1 636 . 1 1 61 61 GLN HE21 H 1 6.191 0.013 . 2 . . . A 61 GLN HE21 . 17890 1 637 . 1 1 61 61 GLN HE22 H 1 6.694 0.007 . 2 . . . A 61 GLN HE22 . 17890 1 638 . 1 1 61 61 GLN C C 13 173.254 0.100 . 1 . . . A 61 GLN C . 17890 1 639 . 1 1 61 61 GLN CA C 13 54.373 0.063 . 1 . . . A 61 GLN CA . 17890 1 640 . 1 1 61 61 GLN CB C 13 27.922 0.133 . 1 . . . A 61 GLN CB . 17890 1 641 . 1 1 61 61 GLN CG C 13 34.108 0.088 . 1 . . . A 61 GLN CG . 17890 1 642 . 1 1 61 61 GLN N N 15 118.818 0.023 . 1 . . . A 61 GLN N . 17890 1 643 . 1 1 61 61 GLN NE2 N 15 109.525 0.016 . 1 . . . A 61 GLN NE2 . 17890 1 644 . 1 1 62 62 ALA H H 1 7.315 0.006 . 1 . . . A 62 ALA H . 17890 1 645 . 1 1 62 62 ALA HA H 1 5.064 0.008 . 1 . . . A 62 ALA HA . 17890 1 646 . 1 1 62 62 ALA HB1 H 1 1.233 0.003 . 1 . . . A 62 ALA HB1 . 17890 1 647 . 1 1 62 62 ALA HB2 H 1 1.233 0.003 . 1 . . . A 62 ALA HB2 . 17890 1 648 . 1 1 62 62 ALA HB3 H 1 1.233 0.003 . 1 . . . A 62 ALA HB3 . 17890 1 649 . 1 1 62 62 ALA C C 13 176.637 0.100 . 1 . . . A 62 ALA C . 17890 1 650 . 1 1 62 62 ALA CA C 13 51.179 0.075 . 1 . . . A 62 ALA CA . 17890 1 651 . 1 1 62 62 ALA CB C 13 20.595 0.058 . 1 . . . A 62 ALA CB . 17890 1 652 . 1 1 62 62 ALA N N 15 122.562 0.015 . 1 . . . A 62 ALA N . 17890 1 653 . 1 1 63 63 TRP H H 1 9.544 0.005 . 1 . . . A 63 TRP H . 17890 1 654 . 1 1 63 63 TRP HA H 1 4.964 0.003 . 1 . . . A 63 TRP HA . 17890 1 655 . 1 1 63 63 TRP HB2 H 1 2.989 0.009 . 2 . . . A 63 TRP HB2 . 17890 1 656 . 1 1 63 63 TRP HB3 H 1 2.673 0.009 . 2 . . . A 63 TRP HB3 . 17890 1 657 . 1 1 63 63 TRP HD1 H 1 7.443 0.008 . 1 . . . A 63 TRP HD1 . 17890 1 658 . 1 1 63 63 TRP HE1 H 1 9.220 0.006 . 1 . . . A 63 TRP HE1 . 17890 1 659 . 1 1 63 63 TRP HE3 H 1 7.084 0.010 . 1 . . . A 63 TRP HE3 . 17890 1 660 . 1 1 63 63 TRP HZ2 H 1 6.982 0.004 . 1 . . . A 63 TRP HZ2 . 17890 1 661 . 1 1 63 63 TRP HZ3 H 1 6.501 0.008 . 1 . . . A 63 TRP HZ3 . 17890 1 662 . 1 1 63 63 TRP HH2 H 1 6.733 0.006 . 1 . . . A 63 TRP HH2 . 17890 1 663 . 1 1 63 63 TRP C C 13 174.351 0.100 . 1 . . . A 63 TRP C . 17890 1 664 . 1 1 63 63 TRP CA C 13 55.902 0.036 . 1 . . . A 63 TRP CA . 17890 1 665 . 1 1 63 63 TRP CB C 13 32.117 0.092 . 1 . . . A 63 TRP CB . 17890 1 666 . 1 1 63 63 TRP CD1 C 13 129.341 0.056 . 1 . . . A 63 TRP CD1 . 17890 1 667 . 1 1 63 63 TRP CE3 C 13 120.608 0.100 . 1 . . . A 63 TRP CE3 . 17890 1 668 . 1 1 63 63 TRP CZ2 C 13 114.163 0.071 . 1 . . . A 63 TRP CZ2 . 17890 1 669 . 1 1 63 63 TRP CZ3 C 13 120.156 0.100 . 1 . . . A 63 TRP CZ3 . 17890 1 670 . 1 1 63 63 TRP CH2 C 13 120.959 0.054 . 1 . . . A 63 TRP CH2 . 17890 1 671 . 1 1 63 63 TRP N N 15 124.787 0.020 . 1 . . . A 63 TRP N . 17890 1 672 . 1 1 63 63 TRP NE1 N 15 128.321 0.024 . 1 . . . A 63 TRP NE1 . 17890 1 673 . 1 1 64 64 ILE H H 1 10.235 0.006 . 1 . . . A 64 ILE H . 17890 1 674 . 1 1 64 64 ILE HA H 1 4.694 0.007 . 1 . . . A 64 ILE HA . 17890 1 675 . 1 1 64 64 ILE HB H 1 1.793 0.001 . 1 . . . A 64 ILE HB . 17890 1 676 . 1 1 64 64 ILE HG12 H 1 1.166 0.001 . 2 . . . A 64 ILE HG12 . 17890 1 677 . 1 1 64 64 ILE HG13 H 1 1.470 0.007 . 2 . . . A 64 ILE HG13 . 17890 1 678 . 1 1 64 64 ILE HG21 H 1 0.924 0.001 . 1 . . . A 64 ILE HG21 . 17890 1 679 . 1 1 64 64 ILE HG22 H 1 0.924 0.001 . 1 . . . A 64 ILE HG22 . 17890 1 680 . 1 1 64 64 ILE HG23 H 1 0.924 0.001 . 1 . . . A 64 ILE HG23 . 17890 1 681 . 1 1 64 64 ILE HD11 H 1 0.896 0.002 . 1 . . . A 64 ILE HD11 . 17890 1 682 . 1 1 64 64 ILE HD12 H 1 0.896 0.002 . 1 . . . A 64 ILE HD12 . 17890 1 683 . 1 1 64 64 ILE HD13 H 1 0.896 0.002 . 1 . . . A 64 ILE HD13 . 17890 1 684 . 1 1 64 64 ILE C C 13 177.078 0.100 . 1 . . . A 64 ILE C . 17890 1 685 . 1 1 64 64 ILE CA C 13 61.031 0.035 . 1 . . . A 64 ILE CA . 17890 1 686 . 1 1 64 64 ILE CB C 13 40.369 0.122 . 1 . . . A 64 ILE CB . 17890 1 687 . 1 1 64 64 ILE CG1 C 13 26.937 0.072 . 1 . . . A 64 ILE CG1 . 17890 1 688 . 1 1 64 64 ILE CG2 C 13 17.716 0.017 . 1 . . . A 64 ILE CG2 . 17890 1 689 . 1 1 64 64 ILE CD1 C 13 14.882 0.049 . 1 . . . A 64 ILE CD1 . 17890 1 690 . 1 1 64 64 ILE N N 15 122.482 0.023 . 1 . . . A 64 ILE N . 17890 1 691 . 1 1 65 65 LEU H H 1 9.432 0.007 . 1 . . . A 65 LEU H . 17890 1 692 . 1 1 65 65 LEU HA H 1 5.465 0.006 . 1 . . . A 65 LEU HA . 17890 1 693 . 1 1 65 65 LEU HB2 H 1 1.723 0.004 . 2 . . . A 65 LEU HB2 . 17890 1 694 . 1 1 65 65 LEU HB3 H 1 1.569 0.012 . 2 . . . A 65 LEU HB3 . 17890 1 695 . 1 1 65 65 LEU HG H 1 1.439 0.003 . 1 . . . A 65 LEU HG . 17890 1 696 . 1 1 65 65 LEU HD11 H 1 0.177 0.003 . 1 . . . A 65 LEU HD11 . 17890 1 697 . 1 1 65 65 LEU HD12 H 1 0.177 0.003 . 1 . . . A 65 LEU HD12 . 17890 1 698 . 1 1 65 65 LEU HD13 H 1 0.177 0.003 . 1 . . . A 65 LEU HD13 . 17890 1 699 . 1 1 65 65 LEU HD21 H 1 0.064 0.002 . 1 . . . A 65 LEU HD21 . 17890 1 700 . 1 1 65 65 LEU HD22 H 1 0.064 0.002 . 1 . . . A 65 LEU HD22 . 17890 1 701 . 1 1 65 65 LEU HD23 H 1 0.064 0.002 . 1 . . . A 65 LEU HD23 . 17890 1 702 . 1 1 65 65 LEU C C 13 177.048 0.100 . 1 . . . A 65 LEU C . 17890 1 703 . 1 1 65 65 LEU CA C 13 54.349 0.045 . 1 . . . A 65 LEU CA . 17890 1 704 . 1 1 65 65 LEU CB C 13 42.344 0.093 . 1 . . . A 65 LEU CB . 17890 1 705 . 1 1 65 65 LEU CG C 13 29.175 0.072 . 1 . . . A 65 LEU CG . 17890 1 706 . 1 1 65 65 LEU CD1 C 13 24.115 0.023 . 1 . . . A 65 LEU CD1 . 17890 1 707 . 1 1 65 65 LEU CD2 C 13 24.854 0.034 . 1 . . . A 65 LEU CD2 . 17890 1 708 . 1 1 65 65 LEU N N 15 132.183 0.059 . 1 . . . A 65 LEU N . 17890 1 709 . 1 1 66 66 ARG H H 1 8.491 0.014 . 1 . . . A 66 ARG H . 17890 1 710 . 1 1 66 66 ARG HA H 1 4.888 0.009 . 1 . . . A 66 ARG HA . 17890 1 711 . 1 1 66 66 ARG HB2 H 1 1.874 0.010 . 2 . . . A 66 ARG HB2 . 17890 1 712 . 1 1 66 66 ARG HB3 H 1 1.794 0.003 . 2 . . . A 66 ARG HB3 . 17890 1 713 . 1 1 66 66 ARG HG2 H 1 1.736 0.003 . 2 . . . A 66 ARG HG2 . 17890 1 714 . 1 1 66 66 ARG HG3 H 1 1.688 0.003 . 2 . . . A 66 ARG HG3 . 17890 1 715 . 1 1 66 66 ARG HD2 H 1 3.271 0.011 . 2 . . . A 66 ARG HD2 . 17890 1 716 . 1 1 66 66 ARG HD3 H 1 3.203 0.007 . 2 . . . A 66 ARG HD3 . 17890 1 717 . 1 1 66 66 ARG HE H 1 7.333 0.010 . 1 . . . A 66 ARG HE . 17890 1 718 . 1 1 66 66 ARG C C 13 175.275 0.100 . 1 . . . A 66 ARG C . 17890 1 719 . 1 1 66 66 ARG CA C 13 55.055 0.077 . 1 . . . A 66 ARG CA . 17890 1 720 . 1 1 66 66 ARG CB C 13 32.991 0.085 . 1 . . . A 66 ARG CB . 17890 1 721 . 1 1 66 66 ARG CG C 13 28.502 0.005 . 1 . . . A 66 ARG CG . 17890 1 722 . 1 1 66 66 ARG CD C 13 43.697 0.167 . 1 . . . A 66 ARG CD . 17890 1 723 . 1 1 66 66 ARG N N 15 120.807 0.071 . 1 . . . A 66 ARG N . 17890 1 724 . 1 1 66 66 ARG NE N 15 86.004 0.100 . 1 . . . A 66 ARG NE . 17890 1 725 . 1 1 67 67 SER H H 1 8.557 0.005 . 1 . . . A 67 SER H . 17890 1 726 . 1 1 67 67 SER HA H 1 3.186 0.005 . 1 . . . A 67 SER HA . 17890 1 727 . 1 1 67 67 SER HB2 H 1 3.238 0.009 . 2 . . . A 67 SER HB2 . 17890 1 728 . 1 1 67 67 SER HB3 H 1 2.979 0.007 . 2 . . . A 67 SER HB3 . 17890 1 729 . 1 1 67 67 SER C C 13 174.508 0.100 . 1 . . . A 67 SER C . 17890 1 730 . 1 1 67 67 SER CA C 13 58.521 0.084 . 1 . . . A 67 SER CA . 17890 1 731 . 1 1 67 67 SER CB C 13 62.590 0.122 . 1 . . . A 67 SER CB . 17890 1 732 . 1 1 67 67 SER N N 15 119.709 0.029 . 1 . . . A 67 SER N . 17890 1 733 . 1 1 68 68 TYR H H 1 8.531 0.008 . 1 . . . A 68 TYR H . 17890 1 734 . 1 1 68 68 TYR HA H 1 4.448 0.008 . 1 . . . A 68 TYR HA . 17890 1 735 . 1 1 68 68 TYR HB2 H 1 2.627 0.003 . 2 . . . A 68 TYR HB2 . 17890 1 736 . 1 1 68 68 TYR HB3 H 1 2.561 0.006 . 2 . . . A 68 TYR HB3 . 17890 1 737 . 1 1 68 68 TYR HD1 H 1 6.958 0.007 . 3 . . . A 68 TYR HD1 . 17890 1 738 . 1 1 68 68 TYR HD2 H 1 6.958 0.007 . 3 . . . A 68 TYR HD2 . 17890 1 739 . 1 1 68 68 TYR HE1 H 1 6.704 0.005 . 3 . . . A 68 TYR HE1 . 17890 1 740 . 1 1 68 68 TYR HE2 H 1 6.704 0.005 . 3 . . . A 68 TYR HE2 . 17890 1 741 . 1 1 68 68 TYR C C 13 174.687 0.100 . 1 . . . A 68 TYR C . 17890 1 742 . 1 1 68 68 TYR CA C 13 59.765 0.073 . 1 . . . A 68 TYR CA . 17890 1 743 . 1 1 68 68 TYR CB C 13 38.988 0.159 . 1 . . . A 68 TYR CB . 17890 1 744 . 1 1 68 68 TYR CD2 C 13 133.237 0.035 . 3 . . . A 68 TYR CD2 . 17890 1 745 . 1 1 68 68 TYR CE2 C 13 118.255 0.002 . 3 . . . A 68 TYR CE2 . 17890 1 746 . 1 1 68 68 TYR N N 15 131.011 0.074 . 1 . . . A 68 TYR N . 17890 1 747 . 1 1 69 69 ASP H H 1 7.122 0.008 . 1 . . . A 69 ASP H . 17890 1 748 . 1 1 69 69 ASP HA H 1 4.625 0.004 . 1 . . . A 69 ASP HA . 17890 1 749 . 1 1 69 69 ASP HB2 H 1 2.802 0.005 . 2 . . . A 69 ASP HB2 . 17890 1 750 . 1 1 69 69 ASP HB3 H 1 2.379 0.009 . 2 . . . A 69 ASP HB3 . 17890 1 751 . 1 1 69 69 ASP C C 13 176.455 0.100 . 1 . . . A 69 ASP C . 17890 1 752 . 1 1 69 69 ASP CA C 13 53.091 0.043 . 1 . . . A 69 ASP CA . 17890 1 753 . 1 1 69 69 ASP CB C 13 42.147 0.058 . 1 . . . A 69 ASP CB . 17890 1 754 . 1 1 69 69 ASP N N 15 117.066 0.041 . 1 . . . A 69 ASP N . 17890 1 755 . 1 1 70 70 SER H H 1 8.757 0.004 . 1 . . . A 70 SER H . 17890 1 756 . 1 1 70 70 SER HA H 1 4.270 0.005 . 1 . . . A 70 SER HA . 17890 1 757 . 1 1 70 70 SER HB2 H 1 3.883 0.008 . 2 . . . A 70 SER HB2 . 17890 1 758 . 1 1 70 70 SER HB3 H 1 3.739 0.007 . 2 . . . A 70 SER HB3 . 17890 1 759 . 1 1 70 70 SER C C 13 177.010 0.100 . 1 . . . A 70 SER C . 17890 1 760 . 1 1 70 70 SER CA C 13 60.837 0.065 . 1 . . . A 70 SER CA . 17890 1 761 . 1 1 70 70 SER CB C 13 62.722 0.303 . 1 . . . A 70 SER CB . 17890 1 762 . 1 1 70 70 SER N N 15 122.869 0.065 . 1 . . . A 70 SER N . 17890 1 763 . 1 1 71 71 ASN H H 1 8.342 0.005 . 1 . . . A 71 ASN H . 17890 1 764 . 1 1 71 71 ASN HA H 1 4.571 0.015 . 1 . . . A 71 ASN HA . 17890 1 765 . 1 1 71 71 ASN HB2 H 1 2.948 0.005 . 2 . . . A 71 ASN HB2 . 17890 1 766 . 1 1 71 71 ASN HB3 H 1 2.818 0.006 . 2 . . . A 71 ASN HB3 . 17890 1 767 . 1 1 71 71 ASN HD21 H 1 6.921 0.005 . 2 . . . A 71 ASN HD21 . 17890 1 768 . 1 1 71 71 ASN HD22 H 1 7.788 0.003 . 2 . . . A 71 ASN HD22 . 17890 1 769 . 1 1 71 71 ASN C C 13 176.226 0.100 . 1 . . . A 71 ASN C . 17890 1 770 . 1 1 71 71 ASN CA C 13 55.714 0.009 . 1 . . . A 71 ASN CA . 17890 1 771 . 1 1 71 71 ASN CB C 13 38.641 0.057 . 1 . . . A 71 ASN CB . 17890 1 772 . 1 1 71 71 ASN CG C 13 176.872 0.100 . 1 . . . A 71 ASN CG . 17890 1 773 . 1 1 71 71 ASN N N 15 119.873 0.015 . 1 . . . A 71 ASN N . 17890 1 774 . 1 1 71 71 ASN ND2 N 15 114.354 0.016 . 1 . . . A 71 ASN ND2 . 17890 1 775 . 1 1 72 72 SER H H 1 7.560 0.007 . 1 . . . A 72 SER H . 17890 1 776 . 1 1 72 72 SER HA H 1 4.567 0.006 . 1 . . . A 72 SER HA . 17890 1 777 . 1 1 72 72 SER HB2 H 1 3.931 0.003 . 1 . . . A 72 SER HB2 . 17890 1 778 . 1 1 72 72 SER HB3 H 1 3.931 0.003 . 1 . . . A 72 SER HB3 . 17890 1 779 . 1 1 72 72 SER C C 13 173.789 0.100 . 1 . . . A 72 SER C . 17890 1 780 . 1 1 72 72 SER CA C 13 57.816 0.073 . 1 . . . A 72 SER CA . 17890 1 781 . 1 1 72 72 SER CB C 13 63.935 0.127 . 1 . . . A 72 SER CB . 17890 1 782 . 1 1 72 72 SER N N 15 112.202 0.051 . 1 . . . A 72 SER N . 17890 1 783 . 1 1 73 73 ASN H H 1 7.940 0.007 . 1 . . . A 73 ASN H . 17890 1 784 . 1 1 73 73 ASN HA H 1 4.534 0.004 . 1 . . . A 73 ASN HA . 17890 1 785 . 1 1 73 73 ASN HB2 H 1 3.532 0.004 . 2 . . . A 73 ASN HB2 . 17890 1 786 . 1 1 73 73 ASN HB3 H 1 2.805 0.006 . 2 . . . A 73 ASN HB3 . 17890 1 787 . 1 1 73 73 ASN HD21 H 1 6.935 0.007 . 2 . . . A 73 ASN HD21 . 17890 1 788 . 1 1 73 73 ASN HD22 H 1 7.759 0.001 . 2 . . . A 73 ASN HD22 . 17890 1 789 . 1 1 73 73 ASN C C 13 173.647 0.100 . 1 . . . A 73 ASN C . 17890 1 790 . 1 1 73 73 ASN CA C 13 54.523 0.116 . 1 . . . A 73 ASN CA . 17890 1 791 . 1 1 73 73 ASN CB C 13 37.213 0.050 . 1 . . . A 73 ASN CB . 17890 1 792 . 1 1 73 73 ASN CG C 13 179.157 0.100 . 1 . . . A 73 ASN CG . 17890 1 793 . 1 1 73 73 ASN N N 15 117.437 0.021 . 1 . . . A 73 ASN N . 17890 1 794 . 1 1 73 73 ASN ND2 N 15 113.291 0.015 . 1 . . . A 73 ASN ND2 . 17890 1 795 . 1 1 74 74 THR H H 1 7.737 0.004 . 1 . . . A 74 THR H . 17890 1 796 . 1 1 74 74 THR HA H 1 5.477 0.007 . 1 . . . A 74 THR HA . 17890 1 797 . 1 1 74 74 THR HB H 1 3.981 0.001 . 1 . . . A 74 THR HB . 17890 1 798 . 1 1 74 74 THR HG21 H 1 1.147 0.002 . 1 . . . A 74 THR HG21 . 17890 1 799 . 1 1 74 74 THR HG22 H 1 1.147 0.002 . 1 . . . A 74 THR HG22 . 17890 1 800 . 1 1 74 74 THR HG23 H 1 1.147 0.002 . 1 . . . A 74 THR HG23 . 17890 1 801 . 1 1 74 74 THR C C 13 176.824 0.100 . 1 . . . A 74 THR C . 17890 1 802 . 1 1 74 74 THR CA C 13 59.768 0.066 . 1 . . . A 74 THR CA . 17890 1 803 . 1 1 74 74 THR CB C 13 71.985 0.101 . 1 . . . A 74 THR CB . 17890 1 804 . 1 1 74 74 THR CG2 C 13 23.226 0.149 . 1 . . . A 74 THR CG2 . 17890 1 805 . 1 1 74 74 THR N N 15 104.227 0.058 . 1 . . . A 74 THR N . 17890 1 806 . 1 1 75 75 TRP H H 1 9.442 0.007 . 1 . . . A 75 TRP H . 17890 1 807 . 1 1 75 75 TRP HA H 1 5.207 0.012 . 1 . . . A 75 TRP HA . 17890 1 808 . 1 1 75 75 TRP HB2 H 1 3.346 0.010 . 2 . . . A 75 TRP HB2 . 17890 1 809 . 1 1 75 75 TRP HB3 H 1 2.526 0.007 . 2 . . . A 75 TRP HB3 . 17890 1 810 . 1 1 75 75 TRP HD1 H 1 7.201 0.006 . 1 . . . A 75 TRP HD1 . 17890 1 811 . 1 1 75 75 TRP HE1 H 1 10.083 0.009 . 1 . . . A 75 TRP HE1 . 17890 1 812 . 1 1 75 75 TRP HE3 H 1 7.205 0.002 . 1 . . . A 75 TRP HE3 . 17890 1 813 . 1 1 75 75 TRP HZ2 H 1 7.378 0.004 . 1 . . . A 75 TRP HZ2 . 17890 1 814 . 1 1 75 75 TRP HZ3 H 1 6.549 0.005 . 1 . . . A 75 TRP HZ3 . 17890 1 815 . 1 1 75 75 TRP HH2 H 1 6.843 0.005 . 1 . . . A 75 TRP HH2 . 17890 1 816 . 1 1 75 75 TRP C C 13 175.876 0.100 . 1 . . . A 75 TRP C . 17890 1 817 . 1 1 75 75 TRP CA C 13 57.606 0.035 . 1 . . . A 75 TRP CA . 17890 1 818 . 1 1 75 75 TRP CB C 13 33.516 0.067 . 1 . . . A 75 TRP CB . 17890 1 819 . 1 1 75 75 TRP CD1 C 13 127.528 0.050 . 1 . . . A 75 TRP CD1 . 17890 1 820 . 1 1 75 75 TRP CE3 C 13 120.276 0.005 . 1 . . . A 75 TRP CE3 . 17890 1 821 . 1 1 75 75 TRP CZ2 C 13 114.557 0.013 . 1 . . . A 75 TRP CZ2 . 17890 1 822 . 1 1 75 75 TRP CZ3 C 13 120.521 0.103 . 1 . . . A 75 TRP CZ3 . 17890 1 823 . 1 1 75 75 TRP CH2 C 13 124.069 0.008 . 1 . . . A 75 TRP CH2 . 17890 1 824 . 1 1 75 75 TRP N N 15 124.636 0.058 . 1 . . . A 75 TRP N . 17890 1 825 . 1 1 75 75 TRP NE1 N 15 128.659 0.031 . 1 . . . A 75 TRP NE1 . 17890 1 826 . 1 1 76 76 THR H H 1 9.415 0.007 . 1 . . . A 76 THR H . 17890 1 827 . 1 1 76 76 THR HA H 1 5.129 0.006 . 1 . . . A 76 THR HA . 17890 1 828 . 1 1 76 76 THR HB H 1 4.364 0.002 . 1 . . . A 76 THR HB . 17890 1 829 . 1 1 76 76 THR HG21 H 1 1.280 0.006 . 1 . . . A 76 THR HG21 . 17890 1 830 . 1 1 76 76 THR HG22 H 1 1.280 0.006 . 1 . . . A 76 THR HG22 . 17890 1 831 . 1 1 76 76 THR HG23 H 1 1.280 0.006 . 1 . . . A 76 THR HG23 . 17890 1 832 . 1 1 76 76 THR C C 13 174.506 0.100 . 1 . . . A 76 THR C . 17890 1 833 . 1 1 76 76 THR CA C 13 60.561 0.080 . 1 . . . A 76 THR CA . 17890 1 834 . 1 1 76 76 THR CB C 13 71.688 0.218 . 1 . . . A 76 THR CB . 17890 1 835 . 1 1 76 76 THR CG2 C 13 21.108 0.060 . 1 . . . A 76 THR CG2 . 17890 1 836 . 1 1 76 76 THR N N 15 110.544 0.017 . 1 . . . A 76 THR N . 17890 1 837 . 1 1 77 77 ILE H H 1 9.255 0.007 . 1 . . . A 77 ILE H . 17890 1 838 . 1 1 77 77 ILE HA H 1 5.139 0.005 . 1 . . . A 77 ILE HA . 17890 1 839 . 1 1 77 77 ILE HB H 1 1.547 0.013 . 1 . . . A 77 ILE HB . 17890 1 840 . 1 1 77 77 ILE HG12 H 1 1.598 0.007 . 2 . . . A 77 ILE HG12 . 17890 1 841 . 1 1 77 77 ILE HG13 H 1 0.742 0.010 . 2 . . . A 77 ILE HG13 . 17890 1 842 . 1 1 77 77 ILE HG21 H 1 0.633 0.004 . 1 . . . A 77 ILE HG21 . 17890 1 843 . 1 1 77 77 ILE HG22 H 1 0.633 0.004 . 1 . . . A 77 ILE HG22 . 17890 1 844 . 1 1 77 77 ILE HG23 H 1 0.633 0.004 . 1 . . . A 77 ILE HG23 . 17890 1 845 . 1 1 77 77 ILE HD11 H 1 0.145 0.004 . 1 . . . A 77 ILE HD11 . 17890 1 846 . 1 1 77 77 ILE HD12 H 1 0.145 0.004 . 1 . . . A 77 ILE HD12 . 17890 1 847 . 1 1 77 77 ILE HD13 H 1 0.145 0.004 . 1 . . . A 77 ILE HD13 . 17890 1 848 . 1 1 77 77 ILE C C 13 176.148 0.100 . 1 . . . A 77 ILE C . 17890 1 849 . 1 1 77 77 ILE CA C 13 61.708 0.121 . 1 . . . A 77 ILE CA . 17890 1 850 . 1 1 77 77 ILE CB C 13 40.987 0.091 . 1 . . . A 77 ILE CB . 17890 1 851 . 1 1 77 77 ILE CG1 C 13 26.145 0.067 . 1 . . . A 77 ILE CG1 . 17890 1 852 . 1 1 77 77 ILE CG2 C 13 18.213 0.067 . 1 . . . A 77 ILE CG2 . 17890 1 853 . 1 1 77 77 ILE CD1 C 13 12.608 0.101 . 1 . . . A 77 ILE CD1 . 17890 1 854 . 1 1 77 77 ILE N N 15 121.567 0.060 . 1 . . . A 77 ILE N . 17890 1 855 . 1 1 78 78 SER H H 1 9.226 0.010 . 1 . . . A 78 SER H . 17890 1 856 . 1 1 78 78 SER HA H 1 5.601 0.011 . 1 . . . A 78 SER HA . 17890 1 857 . 1 1 78 78 SER HB2 H 1 4.262 0.010 . 2 . . . A 78 SER HB2 . 17890 1 858 . 1 1 78 78 SER HB3 H 1 3.563 0.010 . 2 . . . A 78 SER HB3 . 17890 1 859 . 1 1 78 78 SER CA C 13 55.835 0.047 . 1 . . . A 78 SER CA . 17890 1 860 . 1 1 78 78 SER CB C 13 65.858 0.040 . 1 . . . A 78 SER CB . 17890 1 861 . 1 1 78 78 SER N N 15 122.269 0.034 . 1 . . . A 78 SER N . 17890 1 862 . 1 1 79 79 PRO HA H 1 3.864 0.009 . 1 . . . A 79 PRO HA . 17890 1 863 . 1 1 79 79 PRO HB2 H 1 1.081 0.005 . 2 . . . A 79 PRO HB2 . 17890 1 864 . 1 1 79 79 PRO HB3 H 1 0.804 0.005 . 2 . . . A 79 PRO HB3 . 17890 1 865 . 1 1 79 79 PRO HG2 H 1 1.580 0.011 . 2 . . . A 79 PRO HG2 . 17890 1 866 . 1 1 79 79 PRO HG3 H 1 1.224 0.009 . 2 . . . A 79 PRO HG3 . 17890 1 867 . 1 1 79 79 PRO HD2 H 1 3.900 0.006 . 2 . . . A 79 PRO HD2 . 17890 1 868 . 1 1 79 79 PRO HD3 H 1 3.439 0.006 . 2 . . . A 79 PRO HD3 . 17890 1 869 . 1 1 79 79 PRO C C 13 178.175 0.100 . 1 . . . A 79 PRO C . 17890 1 870 . 1 1 79 79 PRO CA C 13 62.884 0.186 . 1 . . . A 79 PRO CA . 17890 1 871 . 1 1 79 79 PRO CB C 13 30.272 0.099 . 1 . . . A 79 PRO CB . 17890 1 872 . 1 1 79 79 PRO CG C 13 27.315 0.077 . 1 . . . A 79 PRO CG . 17890 1 873 . 1 1 79 79 PRO CD C 13 49.532 0.071 . 1 . . . A 79 PRO CD . 17890 1 874 . 1 1 80 80 VAL H H 1 7.328 0.006 . 1 . . . A 80 VAL H . 17890 1 875 . 1 1 80 80 VAL HA H 1 3.581 0.007 . 1 . . . A 80 VAL HA . 17890 1 876 . 1 1 80 80 VAL HB H 1 1.840 0.005 . 1 . . . A 80 VAL HB . 17890 1 877 . 1 1 80 80 VAL HG11 H 1 0.782 0.005 . 1 . . . A 80 VAL HG11 . 17890 1 878 . 1 1 80 80 VAL HG12 H 1 0.782 0.005 . 1 . . . A 80 VAL HG12 . 17890 1 879 . 1 1 80 80 VAL HG13 H 1 0.782 0.005 . 1 . . . A 80 VAL HG13 . 17890 1 880 . 1 1 80 80 VAL HG21 H 1 0.846 0.002 . 1 . . . A 80 VAL HG21 . 17890 1 881 . 1 1 80 80 VAL HG22 H 1 0.846 0.002 . 1 . . . A 80 VAL HG22 . 17890 1 882 . 1 1 80 80 VAL HG23 H 1 0.846 0.002 . 1 . . . A 80 VAL HG23 . 17890 1 883 . 1 1 80 80 VAL C C 13 177.751 0.100 . 1 . . . A 80 VAL C . 17890 1 884 . 1 1 80 80 VAL CA C 13 66.067 0.047 . 1 . . . A 80 VAL CA . 17890 1 885 . 1 1 80 80 VAL CB C 13 31.485 0.226 . 1 . . . A 80 VAL CB . 17890 1 886 . 1 1 80 80 VAL CG1 C 13 21.063 0.029 . 1 . . . A 80 VAL CG1 . 17890 1 887 . 1 1 80 80 VAL CG2 C 13 22.895 0.018 . 1 . . . A 80 VAL CG2 . 17890 1 888 . 1 1 80 80 VAL N N 15 121.906 0.028 . 1 . . . A 80 VAL N . 17890 1 889 . 1 1 81 81 GLY H H 1 8.949 0.005 . 1 . . . A 81 GLY H . 17890 1 890 . 1 1 81 81 GLY HA2 H 1 3.940 0.012 . 2 . . . A 81 GLY HA2 . 17890 1 891 . 1 1 81 81 GLY HA3 H 1 3.554 0.006 . 2 . . . A 81 GLY HA3 . 17890 1 892 . 1 1 81 81 GLY C C 13 174.979 0.100 . 1 . . . A 81 GLY C . 17890 1 893 . 1 1 81 81 GLY CA C 13 45.088 0.078 . 1 . . . A 81 GLY CA . 17890 1 894 . 1 1 81 81 GLY N N 15 104.643 0.018 . 1 . . . A 81 GLY N . 17890 1 895 . 1 1 82 82 SER H H 1 6.968 0.007 . 1 . . . A 82 SER H . 17890 1 896 . 1 1 82 82 SER HA H 1 4.646 0.005 . 1 . . . A 82 SER HA . 17890 1 897 . 1 1 82 82 SER HB2 H 1 3.578 0.010 . 2 . . . A 82 SER HB2 . 17890 1 898 . 1 1 82 82 SER HB3 H 1 3.481 0.011 . 2 . . . A 82 SER HB3 . 17890 1 899 . 1 1 82 82 SER CA C 13 55.441 0.102 . 1 . . . A 82 SER CA . 17890 1 900 . 1 1 82 82 SER CB C 13 62.277 0.070 . 1 . . . A 82 SER CB . 17890 1 901 . 1 1 82 82 SER N N 15 111.865 0.034 . 1 . . . A 82 SER N . 17890 1 902 . 1 1 83 83 PRO HA H 1 4.347 0.004 . 1 . . . A 83 PRO HA . 17890 1 903 . 1 1 83 83 PRO HB2 H 1 2.171 0.003 . 2 . . . A 83 PRO HB2 . 17890 1 904 . 1 1 83 83 PRO HB3 H 1 1.940 0.003 . 2 . . . A 83 PRO HB3 . 17890 1 905 . 1 1 83 83 PRO HG2 H 1 1.989 0.003 . 2 . . . A 83 PRO HG2 . 17890 1 906 . 1 1 83 83 PRO HG3 H 1 1.878 0.004 . 2 . . . A 83 PRO HG3 . 17890 1 907 . 1 1 83 83 PRO HD2 H 1 3.644 0.007 . 2 . . . A 83 PRO HD2 . 17890 1 908 . 1 1 83 83 PRO HD3 H 1 3.430 0.003 . 2 . . . A 83 PRO HD3 . 17890 1 909 . 1 1 83 83 PRO C C 13 176.660 0.100 . 1 . . . A 83 PRO C . 17890 1 910 . 1 1 83 83 PRO CA C 13 65.203 0.118 . 1 . . . A 83 PRO CA . 17890 1 911 . 1 1 83 83 PRO CB C 13 32.819 0.052 . 1 . . . A 83 PRO CB . 17890 1 912 . 1 1 83 83 PRO CG C 13 27.011 0.065 . 1 . . . A 83 PRO CG . 17890 1 913 . 1 1 83 83 PRO CD C 13 49.911 0.061 . 1 . . . A 83 PRO CD . 17890 1 914 . 1 1 84 84 ASN H H 1 8.502 0.007 . 1 . . . A 84 ASN H . 17890 1 915 . 1 1 84 84 ASN HA H 1 5.001 0.007 . 1 . . . A 84 ASN HA . 17890 1 916 . 1 1 84 84 ASN HB2 H 1 2.878 0.005 . 2 . . . A 84 ASN HB2 . 17890 1 917 . 1 1 84 84 ASN HB3 H 1 2.719 0.007 . 2 . . . A 84 ASN HB3 . 17890 1 918 . 1 1 84 84 ASN HD21 H 1 6.929 0.006 . 2 . . . A 84 ASN HD21 . 17890 1 919 . 1 1 84 84 ASN HD22 H 1 7.510 0.003 . 2 . . . A 84 ASN HD22 . 17890 1 920 . 1 1 84 84 ASN C C 13 175.825 0.100 . 1 . . . A 84 ASN C . 17890 1 921 . 1 1 84 84 ASN CA C 13 52.891 0.057 . 1 . . . A 84 ASN CA . 17890 1 922 . 1 1 84 84 ASN CB C 13 38.744 0.051 . 1 . . . A 84 ASN CB . 17890 1 923 . 1 1 84 84 ASN CG C 13 177.666 0.008 . 1 . . . A 84 ASN CG . 17890 1 924 . 1 1 84 84 ASN N N 15 116.542 0.034 . 1 . . . A 84 ASN N . 17890 1 925 . 1 1 84 84 ASN ND2 N 15 113.115 0.022 . 1 . . . A 84 ASN ND2 . 17890 1 926 . 1 1 85 85 SER H H 1 7.980 0.016 . 1 . . . A 85 SER H . 17890 1 927 . 1 1 85 85 SER HA H 1 4.624 0.006 . 1 . . . A 85 SER HA . 17890 1 928 . 1 1 85 85 SER HB2 H 1 3.926 0.005 . 2 . . . A 85 SER HB2 . 17890 1 929 . 1 1 85 85 SER HB3 H 1 3.753 0.002 . 2 . . . A 85 SER HB3 . 17890 1 930 . 1 1 85 85 SER C C 13 172.963 0.100 . 1 . . . A 85 SER C . 17890 1 931 . 1 1 85 85 SER CA C 13 59.210 0.097 . 1 . . . A 85 SER CA . 17890 1 932 . 1 1 85 85 SER CB C 13 64.697 0.074 . 1 . . . A 85 SER CB . 17890 1 933 . 1 1 85 85 SER N N 15 114.633 0.035 . 1 . . . A 85 SER N . 17890 1 934 . 1 1 86 86 GLN H H 1 9.399 0.009 . 1 . . . A 86 GLN H . 17890 1 935 . 1 1 86 86 GLN HA H 1 5.446 0.006 . 1 . . . A 86 GLN HA . 17890 1 936 . 1 1 86 86 GLN HB2 H 1 2.615 0.012 . 2 . . . A 86 GLN HB2 . 17890 1 937 . 1 1 86 86 GLN HB3 H 1 2.299 0.011 . 2 . . . A 86 GLN HB3 . 17890 1 938 . 1 1 86 86 GLN HG2 H 1 2.472 0.010 . 2 . . . A 86 GLN HG2 . 17890 1 939 . 1 1 86 86 GLN HE21 H 1 7.166 0.003 . 2 . . . A 86 GLN HE21 . 17890 1 940 . 1 1 86 86 GLN HE22 H 1 7.750 0.008 . 2 . . . A 86 GLN HE22 . 17890 1 941 . 1 1 86 86 GLN CA C 13 54.452 0.055 . 1 . . . A 86 GLN CA . 17890 1 942 . 1 1 86 86 GLN CB C 13 34.398 0.114 . 1 . . . A 86 GLN CB . 17890 1 943 . 1 1 86 86 GLN CG C 13 34.025 0.121 . 1 . . . A 86 GLN CG . 17890 1 944 . 1 1 86 86 GLN N N 15 119.016 0.028 . 1 . . . A 86 GLN N . 17890 1 945 . 1 1 86 86 GLN NE2 N 15 111.646 0.066 . 1 . . . A 86 GLN NE2 . 17890 1 946 . 1 1 87 87 ILE H H 1 8.970 0.008 . 1 . . . A 87 ILE H . 17890 1 947 . 1 1 87 87 ILE HA H 1 4.575 0.001 . 1 . . . A 87 ILE HA . 17890 1 948 . 1 1 87 87 ILE HB H 1 1.798 0.009 . 1 . . . A 87 ILE HB . 17890 1 949 . 1 1 87 87 ILE HG12 H 1 1.786 0.003 . 2 . . . A 87 ILE HG12 . 17890 1 950 . 1 1 87 87 ILE HG13 H 1 0.794 0.011 . 2 . . . A 87 ILE HG13 . 17890 1 951 . 1 1 87 87 ILE HG21 H 1 0.842 0.002 . 1 . . . A 87 ILE HG21 . 17890 1 952 . 1 1 87 87 ILE HG22 H 1 0.842 0.002 . 1 . . . A 87 ILE HG22 . 17890 1 953 . 1 1 87 87 ILE HG23 H 1 0.842 0.002 . 1 . . . A 87 ILE HG23 . 17890 1 954 . 1 1 87 87 ILE HD11 H 1 0.152 0.001 . 1 . . . A 87 ILE HD11 . 17890 1 955 . 1 1 87 87 ILE HD12 H 1 0.152 0.001 . 1 . . . A 87 ILE HD12 . 17890 1 956 . 1 1 87 87 ILE HD13 H 1 0.152 0.001 . 1 . . . A 87 ILE HD13 . 17890 1 957 . 1 1 87 87 ILE C C 13 176.505 0.361 . 1 . . . A 87 ILE C . 17890 1 958 . 1 1 87 87 ILE CA C 13 63.494 0.038 . 1 . . . A 87 ILE CA . 17890 1 959 . 1 1 87 87 ILE CB C 13 38.197 0.131 . 1 . . . A 87 ILE CB . 17890 1 960 . 1 1 87 87 ILE CG1 C 13 28.687 0.057 . 1 . . . A 87 ILE CG1 . 17890 1 961 . 1 1 87 87 ILE CG2 C 13 19.617 0.047 . 1 . . . A 87 ILE CG2 . 17890 1 962 . 1 1 87 87 ILE CD1 C 13 14.302 0.028 . 1 . . . A 87 ILE CD1 . 17890 1 963 . 1 1 87 87 ILE N N 15 119.691 0.027 . 1 . . . A 87 ILE N . 17890 1 964 . 1 1 88 88 GLY H H 1 9.752 0.016 . 1 . . . A 88 GLY H . 17890 1 965 . 1 1 88 88 GLY HA2 H 1 4.802 0.015 . 2 . . . A 88 GLY HA2 . 17890 1 966 . 1 1 88 88 GLY HA3 H 1 2.920 0.009 . 2 . . . A 88 GLY HA3 . 17890 1 967 . 1 1 88 88 GLY C C 13 171.397 0.100 . 1 . . . A 88 GLY C . 17890 1 968 . 1 1 88 88 GLY CA C 13 43.604 0.052 . 1 . . . A 88 GLY CA . 17890 1 969 . 1 1 88 88 GLY N N 15 118.378 0.020 . 1 . . . A 88 GLY N . 17890 1 970 . 1 1 89 89 TRP H H 1 8.215 0.010 . 1 . . . A 89 TRP H . 17890 1 971 . 1 1 89 89 TRP HA H 1 4.598 0.008 . 1 . . . A 89 TRP HA . 17890 1 972 . 1 1 89 89 TRP HB2 H 1 3.445 0.006 . 2 . . . A 89 TRP HB2 . 17890 1 973 . 1 1 89 89 TRP HB3 H 1 3.207 0.006 . 2 . . . A 89 TRP HB3 . 17890 1 974 . 1 1 89 89 TRP HD1 H 1 7.611 0.007 . 1 . . . A 89 TRP HD1 . 17890 1 975 . 1 1 89 89 TRP HE1 H 1 10.556 0.006 . 1 . . . A 89 TRP HE1 . 17890 1 976 . 1 1 89 89 TRP HE3 H 1 7.599 0.004 . 1 . . . A 89 TRP HE3 . 17890 1 977 . 1 1 89 89 TRP HZ2 H 1 7.458 0.008 . 1 . . . A 89 TRP HZ2 . 17890 1 978 . 1 1 89 89 TRP HZ3 H 1 7.096 0.004 . 1 . . . A 89 TRP HZ3 . 17890 1 979 . 1 1 89 89 TRP HH2 H 1 7.185 0.004 . 1 . . . A 89 TRP HH2 . 17890 1 980 . 1 1 89 89 TRP C C 13 175.924 0.100 . 1 . . . A 89 TRP C . 17890 1 981 . 1 1 89 89 TRP CA C 13 56.283 0.092 . 1 . . . A 89 TRP CA . 17890 1 982 . 1 1 89 89 TRP CB C 13 30.086 0.132 . 1 . . . A 89 TRP CB . 17890 1 983 . 1 1 89 89 TRP CD1 C 13 124.180 0.026 . 1 . . . A 89 TRP CD1 . 17890 1 984 . 1 1 89 89 TRP CE3 C 13 120.244 0.042 . 1 . . . A 89 TRP CE3 . 17890 1 985 . 1 1 89 89 TRP CZ2 C 13 114.360 0.002 . 1 . . . A 89 TRP CZ2 . 17890 1 986 . 1 1 89 89 TRP CZ3 C 13 122.215 0.004 . 1 . . . A 89 TRP CZ3 . 17890 1 987 . 1 1 89 89 TRP CH2 C 13 126.065 0.037 . 1 . . . A 89 TRP CH2 . 17890 1 988 . 1 1 89 89 TRP N N 15 122.749 0.032 . 1 . . . A 89 TRP N . 17890 1 989 . 1 1 89 89 TRP NE1 N 15 128.727 0.100 . 1 . . . A 89 TRP NE1 . 17890 1 990 . 1 1 90 90 GLY H H 1 8.922 0.006 . 1 . . . A 90 GLY H . 17890 1 991 . 1 1 90 90 GLY HA2 H 1 4.389 0.007 . 2 . . . A 90 GLY HA2 . 17890 1 992 . 1 1 90 90 GLY HA3 H 1 3.766 0.008 . 2 . . . A 90 GLY HA3 . 17890 1 993 . 1 1 90 90 GLY C C 13 173.725 0.100 . 1 . . . A 90 GLY C . 17890 1 994 . 1 1 90 90 GLY CA C 13 45.055 0.048 . 1 . . . A 90 GLY CA . 17890 1 995 . 1 1 90 90 GLY N N 15 116.305 0.037 . 1 . . . A 90 GLY N . 17890 1 996 . 1 1 91 91 ALA H H 1 8.367 0.005 . 1 . . . A 91 ALA H . 17890 1 997 . 1 1 91 91 ALA HA H 1 4.243 0.003 . 1 . . . A 91 ALA HA . 17890 1 998 . 1 1 91 91 ALA HB1 H 1 1.418 0.004 . 1 . . . A 91 ALA HB1 . 17890 1 999 . 1 1 91 91 ALA HB2 H 1 1.418 0.004 . 1 . . . A 91 ALA HB2 . 17890 1 1000 . 1 1 91 91 ALA HB3 H 1 1.418 0.004 . 1 . . . A 91 ALA HB3 . 17890 1 1001 . 1 1 91 91 ALA C C 13 178.510 0.100 . 1 . . . A 91 ALA C . 17890 1 1002 . 1 1 91 91 ALA CA C 13 53.490 0.064 . 1 . . . A 91 ALA CA . 17890 1 1003 . 1 1 91 91 ALA CB C 13 18.409 0.048 . 1 . . . A 91 ALA CB . 17890 1 1004 . 1 1 91 91 ALA N N 15 123.795 0.010 . 1 . . . A 91 ALA N . 17890 1 1005 . 1 1 92 92 GLY H H 1 8.776 0.007 . 1 . . . A 92 GLY H . 17890 1 1006 . 1 1 92 92 GLY HA2 H 1 4.080 0.007 . 2 . . . A 92 GLY HA2 . 17890 1 1007 . 1 1 92 92 GLY HA3 H 1 3.845 0.005 . 2 . . . A 92 GLY HA3 . 17890 1 1008 . 1 1 92 92 GLY C C 13 174.528 0.100 . 1 . . . A 92 GLY C . 17890 1 1009 . 1 1 92 92 GLY CA C 13 45.258 0.037 . 1 . . . A 92 GLY CA . 17890 1 1010 . 1 1 92 92 GLY N N 15 108.871 0.025 . 1 . . . A 92 GLY N . 17890 1 1011 . 1 1 93 93 ASN H H 1 8.647 0.006 . 1 . . . A 93 ASN H . 17890 1 1012 . 1 1 93 93 ASN HA H 1 4.449 0.005 . 1 . . . A 93 ASN HA . 17890 1 1013 . 1 1 93 93 ASN HB2 H 1 3.519 0.004 . 2 . . . A 93 ASN HB2 . 17890 1 1014 . 1 1 93 93 ASN HB3 H 1 3.356 0.012 . 2 . . . A 93 ASN HB3 . 17890 1 1015 . 1 1 93 93 ASN HD21 H 1 7.144 0.005 . 2 . . . A 93 ASN HD21 . 17890 1 1016 . 1 1 93 93 ASN HD22 H 1 7.799 0.013 . 2 . . . A 93 ASN HD22 . 17890 1 1017 . 1 1 93 93 ASN C C 13 172.774 0.100 . 1 . . . A 93 ASN C . 17890 1 1018 . 1 1 93 93 ASN CA C 13 54.973 0.142 . 1 . . . A 93 ASN CA . 17890 1 1019 . 1 1 93 93 ASN CB C 13 36.329 0.065 . 1 . . . A 93 ASN CB . 17890 1 1020 . 1 1 93 93 ASN N N 15 114.921 0.033 . 1 . . . A 93 ASN N . 17890 1 1021 . 1 1 93 93 ASN ND2 N 15 115.200 0.037 . 1 . . . A 93 ASN ND2 . 17890 1 1022 . 1 1 94 94 VAL H H 1 6.989 0.008 . 1 . . . A 94 VAL H . 17890 1 1023 . 1 1 94 94 VAL HA H 1 5.065 0.010 . 1 . . . A 94 VAL HA . 17890 1 1024 . 1 1 94 94 VAL HB H 1 2.054 0.008 . 1 . . . A 94 VAL HB . 17890 1 1025 . 1 1 94 94 VAL HG11 H 1 0.741 0.004 . 1 . . . A 94 VAL HG11 . 17890 1 1026 . 1 1 94 94 VAL HG12 H 1 0.741 0.004 . 1 . . . A 94 VAL HG12 . 17890 1 1027 . 1 1 94 94 VAL HG13 H 1 0.741 0.004 . 1 . . . A 94 VAL HG13 . 17890 1 1028 . 1 1 94 94 VAL HG21 H 1 0.987 0.005 . 1 . . . A 94 VAL HG21 . 17890 1 1029 . 1 1 94 94 VAL HG22 H 1 0.987 0.005 . 1 . . . A 94 VAL HG22 . 17890 1 1030 . 1 1 94 94 VAL HG23 H 1 0.987 0.005 . 1 . . . A 94 VAL HG23 . 17890 1 1031 . 1 1 94 94 VAL CA C 13 56.915 0.058 . 1 . . . A 94 VAL CA . 17890 1 1032 . 1 1 94 94 VAL CB C 13 34.155 0.056 . 1 . . . A 94 VAL CB . 17890 1 1033 . 1 1 94 94 VAL CG1 C 13 18.485 0.018 . 2 . . . A 94 VAL CG1 . 17890 1 1034 . 1 1 94 94 VAL CG2 C 13 21.399 0.046 . 2 . . . A 94 VAL CG2 . 17890 1 1035 . 1 1 94 94 VAL N N 15 112.437 0.027 . 1 . . . A 94 VAL N . 17890 1 1036 . 1 1 95 95 PRO HA H 1 4.928 0.008 . 1 . . . A 95 PRO HA . 17890 1 1037 . 1 1 95 95 PRO HB2 H 1 1.211 0.011 . 2 . . . A 95 PRO HB2 . 17890 1 1038 . 1 1 95 95 PRO HB3 H 1 0.962 0.013 . 2 . . . A 95 PRO HB3 . 17890 1 1039 . 1 1 95 95 PRO HG2 H 1 -0.029 0.006 . 2 . . . A 95 PRO HG2 . 17890 1 1040 . 1 1 95 95 PRO HG3 H 1 0.492 0.015 . 2 . . . A 95 PRO HG3 . 17890 1 1041 . 1 1 95 95 PRO HD2 H 1 3.396 0.010 . 2 . . . A 95 PRO HD2 . 17890 1 1042 . 1 1 95 95 PRO HD3 H 1 3.241 0.008 . 2 . . . A 95 PRO HD3 . 17890 1 1043 . 1 1 95 95 PRO C C 13 176.041 0.100 . 1 . . . A 95 PRO C . 17890 1 1044 . 1 1 95 95 PRO CA C 13 61.201 0.145 . 1 . . . A 95 PRO CA . 17890 1 1045 . 1 1 95 95 PRO CB C 13 30.725 0.107 . 1 . . . A 95 PRO CB . 17890 1 1046 . 1 1 95 95 PRO CG C 13 25.766 0.075 . 1 . . . A 95 PRO CG . 17890 1 1047 . 1 1 95 95 PRO CD C 13 50.513 0.045 . 1 . . . A 95 PRO CD . 17890 1 1048 . 1 1 96 96 VAL H H 1 8.199 0.005 . 1 . . . A 96 VAL H . 17890 1 1049 . 1 1 96 96 VAL HA H 1 4.735 0.011 . 1 . . . A 96 VAL HA . 17890 1 1050 . 1 1 96 96 VAL HB H 1 1.668 0.004 . 1 . . . A 96 VAL HB . 17890 1 1051 . 1 1 96 96 VAL HG11 H 1 0.700 0.005 . 1 . . . A 96 VAL HG11 . 17890 1 1052 . 1 1 96 96 VAL HG12 H 1 0.700 0.005 . 1 . . . A 96 VAL HG12 . 17890 1 1053 . 1 1 96 96 VAL HG13 H 1 0.700 0.005 . 1 . . . A 96 VAL HG13 . 17890 1 1054 . 1 1 96 96 VAL HG21 H 1 0.703 0.010 . 1 . . . A 96 VAL HG21 . 17890 1 1055 . 1 1 96 96 VAL HG22 H 1 0.703 0.010 . 1 . . . A 96 VAL HG22 . 17890 1 1056 . 1 1 96 96 VAL HG23 H 1 0.703 0.010 . 1 . . . A 96 VAL HG23 . 17890 1 1057 . 1 1 96 96 VAL C C 13 173.656 0.100 . 1 . . . A 96 VAL C . 17890 1 1058 . 1 1 96 96 VAL CA C 13 58.853 0.024 . 1 . . . A 96 VAL CA . 17890 1 1059 . 1 1 96 96 VAL CB C 13 37.153 0.065 . 1 . . . A 96 VAL CB . 17890 1 1060 . 1 1 96 96 VAL CG1 C 13 21.361 0.029 . 2 . . . A 96 VAL CG1 . 17890 1 1061 . 1 1 96 96 VAL CG2 C 13 17.529 0.040 . 2 . . . A 96 VAL CG2 . 17890 1 1062 . 1 1 96 96 VAL N N 15 113.564 0.035 . 1 . . . A 96 VAL N . 17890 1 1063 . 1 1 97 97 VAL H H 1 8.957 0.011 . 1 . . . A 97 VAL H . 17890 1 1064 . 1 1 97 97 VAL HA H 1 4.631 0.005 . 1 . . . A 97 VAL HA . 17890 1 1065 . 1 1 97 97 VAL HB H 1 2.444 0.002 . 1 . . . A 97 VAL HB . 17890 1 1066 . 1 1 97 97 VAL HG11 H 1 1.097 0.002 . 1 . . . A 97 VAL HG11 . 17890 1 1067 . 1 1 97 97 VAL HG12 H 1 1.097 0.002 . 1 . . . A 97 VAL HG12 . 17890 1 1068 . 1 1 97 97 VAL HG13 H 1 1.097 0.002 . 1 . . . A 97 VAL HG13 . 17890 1 1069 . 1 1 97 97 VAL HG21 H 1 1.275 0.003 . 1 . . . A 97 VAL HG21 . 17890 1 1070 . 1 1 97 97 VAL HG22 H 1 1.275 0.003 . 1 . . . A 97 VAL HG22 . 17890 1 1071 . 1 1 97 97 VAL HG23 H 1 1.275 0.003 . 1 . . . A 97 VAL HG23 . 17890 1 1072 . 1 1 97 97 VAL C C 13 174.776 0.100 . 1 . . . A 97 VAL C . 17890 1 1073 . 1 1 97 97 VAL CA C 13 63.657 0.049 . 1 . . . A 97 VAL CA . 17890 1 1074 . 1 1 97 97 VAL CB C 13 31.128 0.058 . 1 . . . A 97 VAL CB . 17890 1 1075 . 1 1 97 97 VAL CG1 C 13 23.713 0.035 . 1 . . . A 97 VAL CG1 . 17890 1 1076 . 1 1 97 97 VAL CG2 C 13 23.289 0.022 . 1 . . . A 97 VAL CG2 . 17890 1 1077 . 1 1 97 97 VAL N N 15 122.328 0.166 . 1 . . . A 97 VAL N . 17890 1 1078 . 1 1 98 98 LEU H H 1 9.245 0.005 . 1 . . . A 98 LEU H . 17890 1 1079 . 1 1 98 98 LEU HA H 1 5.050 0.007 . 1 . . . A 98 LEU HA . 17890 1 1080 . 1 1 98 98 LEU HB2 H 1 1.864 0.002 . 2 . . . A 98 LEU HB2 . 17890 1 1081 . 1 1 98 98 LEU HB3 H 1 1.659 0.004 . 2 . . . A 98 LEU HB3 . 17890 1 1082 . 1 1 98 98 LEU HG H 1 1.482 0.001 . 1 . . . A 98 LEU HG . 17890 1 1083 . 1 1 98 98 LEU HD11 H 1 0.560 0.004 . 1 . . . A 98 LEU HD11 . 17890 1 1084 . 1 1 98 98 LEU HD12 H 1 0.560 0.004 . 1 . . . A 98 LEU HD12 . 17890 1 1085 . 1 1 98 98 LEU HD13 H 1 0.560 0.004 . 1 . . . A 98 LEU HD13 . 17890 1 1086 . 1 1 98 98 LEU HD21 H 1 1.026 0.003 . 1 . . . A 98 LEU HD21 . 17890 1 1087 . 1 1 98 98 LEU HD22 H 1 1.026 0.003 . 1 . . . A 98 LEU HD22 . 17890 1 1088 . 1 1 98 98 LEU HD23 H 1 1.026 0.003 . 1 . . . A 98 LEU HD23 . 17890 1 1089 . 1 1 98 98 LEU CA C 13 52.823 0.074 . 1 . . . A 98 LEU CA . 17890 1 1090 . 1 1 98 98 LEU CB C 13 46.118 0.049 . 1 . . . A 98 LEU CB . 17890 1 1091 . 1 1 98 98 LEU CG C 13 26.899 0.094 . 1 . . . A 98 LEU CG . 17890 1 1092 . 1 1 98 98 LEU CD1 C 13 25.012 0.026 . 1 . . . A 98 LEU CD1 . 17890 1 1093 . 1 1 98 98 LEU CD2 C 13 23.380 0.015 . 1 . . . A 98 LEU CD2 . 17890 1 1094 . 1 1 98 98 LEU N N 15 130.258 0.039 . 1 . . . A 98 LEU N . 17890 1 1095 . 1 1 99 99 PRO HA H 1 4.779 0.008 . 1 . . . A 99 PRO HA . 17890 1 1096 . 1 1 99 99 PRO HB2 H 1 2.562 0.004 . 2 . . . A 99 PRO HB2 . 17890 1 1097 . 1 1 99 99 PRO HB3 H 1 1.847 0.006 . 2 . . . A 99 PRO HB3 . 17890 1 1098 . 1 1 99 99 PRO HG2 H 1 2.196 0.003 . 2 . . . A 99 PRO HG2 . 17890 1 1099 . 1 1 99 99 PRO HD2 H 1 3.761 0.009 . 2 . . . A 99 PRO HD2 . 17890 1 1100 . 1 1 99 99 PRO HD3 H 1 3.714 0.013 . 2 . . . A 99 PRO HD3 . 17890 1 1101 . 1 1 99 99 PRO CA C 13 61.489 0.095 . 1 . . . A 99 PRO CA . 17890 1 1102 . 1 1 99 99 PRO CB C 13 30.454 0.074 . 1 . . . A 99 PRO CB . 17890 1 1103 . 1 1 99 99 PRO CG C 13 28.245 0.080 . 1 . . . A 99 PRO CG . 17890 1 1104 . 1 1 99 99 PRO CD C 13 50.595 0.070 . 1 . . . A 99 PRO CD . 17890 1 1105 . 1 1 100 100 PRO HA H 1 3.985 0.010 . 1 . . . A 100 PRO HA . 17890 1 1106 . 1 1 100 100 PRO HB2 H 1 2.308 0.003 . 2 . . . A 100 PRO HB2 . 17890 1 1107 . 1 1 100 100 PRO HB3 H 1 2.067 0.005 . 2 . . . A 100 PRO HB3 . 17890 1 1108 . 1 1 100 100 PRO HG2 H 1 2.143 0.010 . 2 . . . A 100 PRO HG2 . 17890 1 1109 . 1 1 100 100 PRO HG3 H 1 1.990 0.003 . 2 . . . A 100 PRO HG3 . 17890 1 1110 . 1 1 100 100 PRO HD2 H 1 3.806 0.007 . 2 . . . A 100 PRO HD2 . 17890 1 1111 . 1 1 100 100 PRO HD3 H 1 3.637 0.003 . 2 . . . A 100 PRO HD3 . 17890 1 1112 . 1 1 100 100 PRO C C 13 177.309 0.100 . 1 . . . A 100 PRO C . 17890 1 1113 . 1 1 100 100 PRO CA C 13 63.824 0.072 . 1 . . . A 100 PRO CA . 17890 1 1114 . 1 1 100 100 PRO CB C 13 32.105 0.151 . 1 . . . A 100 PRO CB . 17890 1 1115 . 1 1 100 100 PRO CG C 13 28.305 0.052 . 1 . . . A 100 PRO CG . 17890 1 1116 . 1 1 100 100 PRO CD C 13 50.119 0.051 . 1 . . . A 100 PRO CD . 17890 1 1117 . 1 1 101 101 ASN H H 1 7.273 0.012 . 1 . . . A 101 ASN H . 17890 1 1118 . 1 1 101 101 ASN HA H 1 4.542 0.011 . 1 . . . A 101 ASN HA . 17890 1 1119 . 1 1 101 101 ASN HB2 H 1 2.442 0.004 . 2 . . . A 101 ASN HB2 . 17890 1 1120 . 1 1 101 101 ASN HB3 H 1 2.170 0.008 . 2 . . . A 101 ASN HB3 . 17890 1 1121 . 1 1 101 101 ASN HD21 H 1 6.679 0.005 . 2 . . . A 101 ASN HD21 . 17890 1 1122 . 1 1 101 101 ASN HD22 H 1 6.802 0.007 . 2 . . . A 101 ASN HD22 . 17890 1 1123 . 1 1 101 101 ASN C C 13 171.920 0.100 . 1 . . . A 101 ASN C . 17890 1 1124 . 1 1 101 101 ASN CA C 13 53.200 0.085 . 1 . . . A 101 ASN CA . 17890 1 1125 . 1 1 101 101 ASN CB C 13 37.625 0.058 . 1 . . . A 101 ASN CB . 17890 1 1126 . 1 1 101 101 ASN N N 15 119.284 0.042 . 1 . . . A 101 ASN N . 17890 1 1127 . 1 1 101 101 ASN ND2 N 15 109.354 0.070 . 1 . . . A 101 ASN ND2 . 17890 1 1128 . 1 1 102 102 ASN H H 1 8.197 0.006 . 1 . . . A 102 ASN H . 17890 1 1129 . 1 1 102 102 ASN HA H 1 3.918 0.006 . 1 . . . A 102 ASN HA . 17890 1 1130 . 1 1 102 102 ASN HB2 H 1 2.733 0.009 . 2 . . . A 102 ASN HB2 . 17890 1 1131 . 1 1 102 102 ASN HB3 H 1 2.519 0.007 . 2 . . . A 102 ASN HB3 . 17890 1 1132 . 1 1 102 102 ASN HD21 H 1 6.703 0.004 . 2 . . . A 102 ASN HD21 . 17890 1 1133 . 1 1 102 102 ASN HD22 H 1 7.429 0.004 . 2 . . . A 102 ASN HD22 . 17890 1 1134 . 1 1 102 102 ASN C C 13 173.264 0.100 . 1 . . . A 102 ASN C . 17890 1 1135 . 1 1 102 102 ASN CA C 13 54.039 0.072 . 1 . . . A 102 ASN CA . 17890 1 1136 . 1 1 102 102 ASN CB C 13 36.982 0.082 . 1 . . . A 102 ASN CB . 17890 1 1137 . 1 1 102 102 ASN N N 15 115.674 0.013 . 1 . . . A 102 ASN N . 17890 1 1138 . 1 1 102 102 ASN ND2 N 15 114.436 0.029 . 1 . . . A 102 ASN ND2 . 17890 1 1139 . 1 1 103 103 TYR H H 1 7.745 0.005 . 1 . . . A 103 TYR H . 17890 1 1140 . 1 1 103 103 TYR HA H 1 4.485 0.001 . 1 . . . A 103 TYR HA . 17890 1 1141 . 1 1 103 103 TYR HB2 H 1 3.187 0.012 . 2 . . . A 103 TYR HB2 . 17890 1 1142 . 1 1 103 103 TYR HB3 H 1 2.927 0.008 . 2 . . . A 103 TYR HB3 . 17890 1 1143 . 1 1 103 103 TYR HD1 H 1 7.312 0.010 . 3 . . . A 103 TYR HD1 . 17890 1 1144 . 1 1 103 103 TYR HD2 H 1 7.312 0.010 . 3 . . . A 103 TYR HD2 . 17890 1 1145 . 1 1 103 103 TYR HE1 H 1 7.040 0.010 . 3 . . . A 103 TYR HE1 . 17890 1 1146 . 1 1 103 103 TYR HE2 H 1 7.040 0.010 . 3 . . . A 103 TYR HE2 . 17890 1 1147 . 1 1 103 103 TYR C C 13 175.248 0.100 . 1 . . . A 103 TYR C . 17890 1 1148 . 1 1 103 103 TYR CA C 13 57.490 0.121 . 1 . . . A 103 TYR CA . 17890 1 1149 . 1 1 103 103 TYR CB C 13 37.532 0.098 . 1 . . . A 103 TYR CB . 17890 1 1150 . 1 1 103 103 TYR CD2 C 13 132.932 0.019 . 3 . . . A 103 TYR CD2 . 17890 1 1151 . 1 1 103 103 TYR CE2 C 13 119.213 0.100 . 3 . . . A 103 TYR CE2 . 17890 1 1152 . 1 1 103 103 TYR N N 15 118.775 0.016 . 1 . . . A 103 TYR N . 17890 1 1153 . 1 1 104 104 VAL H H 1 7.498 0.008 . 1 . . . A 104 VAL H . 17890 1 1154 . 1 1 104 104 VAL HA H 1 4.977 0.005 . 1 . . . A 104 VAL HA . 17890 1 1155 . 1 1 104 104 VAL HB H 1 1.706 0.005 . 1 . . . A 104 VAL HB . 17890 1 1156 . 1 1 104 104 VAL HG11 H 1 0.440 0.003 . 1 . . . A 104 VAL HG11 . 17890 1 1157 . 1 1 104 104 VAL HG12 H 1 0.440 0.003 . 1 . . . A 104 VAL HG12 . 17890 1 1158 . 1 1 104 104 VAL HG13 H 1 0.440 0.003 . 1 . . . A 104 VAL HG13 . 17890 1 1159 . 1 1 104 104 VAL HG21 H 1 -0.022 0.004 . 1 . . . A 104 VAL HG21 . 17890 1 1160 . 1 1 104 104 VAL HG22 H 1 -0.022 0.004 . 1 . . . A 104 VAL HG22 . 17890 1 1161 . 1 1 104 104 VAL HG23 H 1 -0.022 0.004 . 1 . . . A 104 VAL HG23 . 17890 1 1162 . 1 1 104 104 VAL C C 13 174.361 0.100 . 1 . . . A 104 VAL C . 17890 1 1163 . 1 1 104 104 VAL CA C 13 58.251 0.098 . 1 . . . A 104 VAL CA . 17890 1 1164 . 1 1 104 104 VAL CB C 13 35.543 0.089 . 1 . . . A 104 VAL CB . 17890 1 1165 . 1 1 104 104 VAL CG1 C 13 17.680 0.035 . 1 . . . A 104 VAL CG1 . 17890 1 1166 . 1 1 104 104 VAL CG2 C 13 20.133 0.017 . 1 . . . A 104 VAL CG2 . 17890 1 1167 . 1 1 104 104 VAL N N 15 116.205 0.027 . 1 . . . A 104 VAL N . 17890 1 1168 . 1 1 105 105 TRP H H 1 8.926 0.009 . 1 . . . A 105 TRP H . 17890 1 1169 . 1 1 105 105 TRP HA H 1 4.875 0.005 . 1 . . . A 105 TRP HA . 17890 1 1170 . 1 1 105 105 TRP HB2 H 1 3.082 0.005 . 2 . . . A 105 TRP HB2 . 17890 1 1171 . 1 1 105 105 TRP HB3 H 1 2.194 0.008 . 2 . . . A 105 TRP HB3 . 17890 1 1172 . 1 1 105 105 TRP HD1 H 1 7.248 0.003 . 1 . . . A 105 TRP HD1 . 17890 1 1173 . 1 1 105 105 TRP HE1 H 1 9.828 0.005 . 1 . . . A 105 TRP HE1 . 17890 1 1174 . 1 1 105 105 TRP HE3 H 1 7.676 0.005 . 1 . . . A 105 TRP HE3 . 17890 1 1175 . 1 1 105 105 TRP HZ2 H 1 7.023 0.004 . 1 . . . A 105 TRP HZ2 . 17890 1 1176 . 1 1 105 105 TRP HZ3 H 1 6.631 0.005 . 1 . . . A 105 TRP HZ3 . 17890 1 1177 . 1 1 105 105 TRP HH2 H 1 6.698 0.008 . 1 . . . A 105 TRP HH2 . 17890 1 1178 . 1 1 105 105 TRP C C 13 175.526 0.100 . 1 . . . A 105 TRP C . 17890 1 1179 . 1 1 105 105 TRP CA C 13 54.884 0.040 . 1 . . . A 105 TRP CA . 17890 1 1180 . 1 1 105 105 TRP CB C 13 32.539 0.034 . 1 . . . A 105 TRP CB . 17890 1 1181 . 1 1 105 105 TRP CD1 C 13 129.459 0.037 . 1 . . . A 105 TRP CD1 . 17890 1 1182 . 1 1 105 105 TRP CE3 C 13 123.584 0.086 . 1 . . . A 105 TRP CE3 . 17890 1 1183 . 1 1 105 105 TRP CZ2 C 13 113.415 0.067 . 1 . . . A 105 TRP CZ2 . 17890 1 1184 . 1 1 105 105 TRP CZ3 C 13 118.120 0.005 . 1 . . . A 105 TRP CZ3 . 17890 1 1185 . 1 1 105 105 TRP CH2 C 13 122.818 0.013 . 1 . . . A 105 TRP CH2 . 17890 1 1186 . 1 1 105 105 TRP N N 15 119.557 0.016 . 1 . . . A 105 TRP N . 17890 1 1187 . 1 1 105 105 TRP NE1 N 15 128.494 0.023 . 1 . . . A 105 TRP NE1 . 17890 1 1188 . 1 1 106 106 THR H H 1 9.525 0.010 . 1 . . . A 106 THR H . 17890 1 1189 . 1 1 106 106 THR HA H 1 4.966 0.007 . 1 . . . A 106 THR HA . 17890 1 1190 . 1 1 106 106 THR HB H 1 3.999 0.004 . 1 . . . A 106 THR HB . 17890 1 1191 . 1 1 106 106 THR HG21 H 1 1.302 0.005 . 1 . . . A 106 THR HG21 . 17890 1 1192 . 1 1 106 106 THR HG22 H 1 1.302 0.005 . 1 . . . A 106 THR HG22 . 17890 1 1193 . 1 1 106 106 THR HG23 H 1 1.302 0.005 . 1 . . . A 106 THR HG23 . 17890 1 1194 . 1 1 106 106 THR C C 13 174.177 0.100 . 1 . . . A 106 THR C . 17890 1 1195 . 1 1 106 106 THR CA C 13 62.091 0.047 . 1 . . . A 106 THR CA . 17890 1 1196 . 1 1 106 106 THR CB C 13 69.649 0.272 . 1 . . . A 106 THR CB . 17890 1 1197 . 1 1 106 106 THR CG2 C 13 22.515 0.074 . 1 . . . A 106 THR CG2 . 17890 1 1198 . 1 1 106 106 THR N N 15 120.480 0.037 . 1 . . . A 106 THR N . 17890 1 1199 . 1 1 107 107 LEU H H 1 7.591 0.008 . 1 . . . A 107 LEU H . 17890 1 1200 . 1 1 107 107 LEU HA H 1 4.827 0.010 . 1 . . . A 107 LEU HA . 17890 1 1201 . 1 1 107 107 LEU HB2 H 1 1.364 0.007 . 2 . . . A 107 LEU HB2 . 17890 1 1202 . 1 1 107 107 LEU HB3 H 1 0.785 0.008 . 2 . . . A 107 LEU HB3 . 17890 1 1203 . 1 1 107 107 LEU HG H 1 1.126 0.004 . 1 . . . A 107 LEU HG . 17890 1 1204 . 1 1 107 107 LEU HD11 H 1 -0.129 0.002 . 1 . . . A 107 LEU HD11 . 17890 1 1205 . 1 1 107 107 LEU HD12 H 1 -0.129 0.002 . 1 . . . A 107 LEU HD12 . 17890 1 1206 . 1 1 107 107 LEU HD13 H 1 -0.129 0.002 . 1 . . . A 107 LEU HD13 . 17890 1 1207 . 1 1 107 107 LEU HD21 H 1 -0.026 0.003 . 1 . . . A 107 LEU HD21 . 17890 1 1208 . 1 1 107 107 LEU HD22 H 1 -0.026 0.003 . 1 . . . A 107 LEU HD22 . 17890 1 1209 . 1 1 107 107 LEU HD23 H 1 -0.026 0.003 . 1 . . . A 107 LEU HD23 . 17890 1 1210 . 1 1 107 107 LEU CA C 13 53.709 0.017 . 1 . . . A 107 LEU CA . 17890 1 1211 . 1 1 107 107 LEU CB C 13 41.523 0.067 . 1 . . . A 107 LEU CB . 17890 1 1212 . 1 1 107 107 LEU CG C 13 27.736 0.067 . 1 . . . A 107 LEU CG . 17890 1 1213 . 1 1 107 107 LEU CD1 C 13 24.478 0.047 . 1 . . . A 107 LEU CD1 . 17890 1 1214 . 1 1 107 107 LEU CD2 C 13 25.476 0.052 . 1 . . . A 107 LEU CD2 . 17890 1 1215 . 1 1 107 107 LEU N N 15 127.146 0.062 . 1 . . . A 107 LEU N . 17890 1 1216 . 1 1 108 108 THR H H 1 8.141 0.010 . 1 . . . A 108 THR H . 17890 1 1217 . 1 1 108 108 THR HA H 1 4.411 0.007 . 1 . . . A 108 THR HA . 17890 1 1218 . 1 1 108 108 THR HB H 1 4.084 0.001 . 1 . . . A 108 THR HB . 17890 1 1219 . 1 1 108 108 THR HG21 H 1 1.135 0.003 . 1 . . . A 108 THR HG21 . 17890 1 1220 . 1 1 108 108 THR HG22 H 1 1.135 0.003 . 1 . . . A 108 THR HG22 . 17890 1 1221 . 1 1 108 108 THR HG23 H 1 1.135 0.003 . 1 . . . A 108 THR HG23 . 17890 1 1222 . 1 1 108 108 THR C C 13 173.319 0.100 . 1 . . . A 108 THR C . 17890 1 1223 . 1 1 108 108 THR CA C 13 62.243 0.076 . 1 . . . A 108 THR CA . 17890 1 1224 . 1 1 108 108 THR CB C 13 70.138 0.226 . 1 . . . A 108 THR CB . 17890 1 1225 . 1 1 108 108 THR CG2 C 13 21.680 0.092 . 1 . . . A 108 THR CG2 . 17890 1 1226 . 1 1 108 108 THR N N 15 119.928 0.094 . 1 . . . A 108 THR N . 17890 1 1227 . 1 1 109 109 LEU H H 1 8.924 0.008 . 1 . . . A 109 LEU H . 17890 1 1228 . 1 1 109 109 LEU HA H 1 3.545 0.008 . 1 . . . A 109 LEU HA . 17890 1 1229 . 1 1 109 109 LEU HB2 H 1 1.686 0.007 . 2 . . . A 109 LEU HB2 . 17890 1 1230 . 1 1 109 109 LEU HB3 H 1 0.896 0.009 . 2 . . . A 109 LEU HB3 . 17890 1 1231 . 1 1 109 109 LEU HG H 1 1.139 0.004 . 1 . . . A 109 LEU HG . 17890 1 1232 . 1 1 109 109 LEU HD11 H 1 0.751 0.004 . 1 . . . A 109 LEU HD11 . 17890 1 1233 . 1 1 109 109 LEU HD12 H 1 0.751 0.004 . 1 . . . A 109 LEU HD12 . 17890 1 1234 . 1 1 109 109 LEU HD13 H 1 0.751 0.004 . 1 . . . A 109 LEU HD13 . 17890 1 1235 . 1 1 109 109 LEU HD21 H 1 0.205 0.006 . 1 . . . A 109 LEU HD21 . 17890 1 1236 . 1 1 109 109 LEU HD22 H 1 0.205 0.006 . 1 . . . A 109 LEU HD22 . 17890 1 1237 . 1 1 109 109 LEU HD23 H 1 0.205 0.006 . 1 . . . A 109 LEU HD23 . 17890 1 1238 . 1 1 109 109 LEU C C 13 175.217 0.100 . 1 . . . A 109 LEU C . 17890 1 1239 . 1 1 109 109 LEU CA C 13 55.286 0.056 . 1 . . . A 109 LEU CA . 17890 1 1240 . 1 1 109 109 LEU CB C 13 40.606 0.078 . 1 . . . A 109 LEU CB . 17890 1 1241 . 1 1 109 109 LEU CG C 13 26.245 0.040 . 1 . . . A 109 LEU CG . 17890 1 1242 . 1 1 109 109 LEU CD1 C 13 25.943 0.058 . 2 . . . A 109 LEU CD1 . 17890 1 1243 . 1 1 109 109 LEU CD2 C 13 21.353 0.022 . 2 . . . A 109 LEU CD2 . 17890 1 1244 . 1 1 109 109 LEU N N 15 130.557 0.073 . 1 . . . A 109 LEU N . 17890 1 1245 . 1 1 110 110 THR H H 1 7.677 0.007 . 1 . . . A 110 THR H . 17890 1 1246 . 1 1 110 110 THR HA H 1 4.911 0.001 . 1 . . . A 110 THR HA . 17890 1 1247 . 1 1 110 110 THR HB H 1 4.584 0.006 . 1 . . . A 110 THR HB . 17890 1 1248 . 1 1 110 110 THR HG21 H 1 1.205 0.001 . 1 . . . A 110 THR HG21 . 17890 1 1249 . 1 1 110 110 THR HG22 H 1 1.205 0.001 . 1 . . . A 110 THR HG22 . 17890 1 1250 . 1 1 110 110 THR HG23 H 1 1.205 0.001 . 1 . . . A 110 THR HG23 . 17890 1 1251 . 1 1 110 110 THR CA C 13 60.141 0.100 . 1 . . . A 110 THR CA . 17890 1 1252 . 1 1 110 110 THR CB C 13 72.785 0.104 . 1 . . . A 110 THR CB . 17890 1 1253 . 1 1 110 110 THR CG2 C 13 21.530 0.020 . 1 . . . A 110 THR CG2 . 17890 1 1254 . 1 1 110 110 THR N N 15 120.160 0.035 . 1 . . . A 110 THR N . 17890 1 1255 . 1 1 111 111 SER HA H 1 4.204 0.005 . 1 . . . A 111 SER HA . 17890 1 1256 . 1 1 111 111 SER HB2 H 1 3.983 0.007 . 2 . . . A 111 SER HB2 . 17890 1 1257 . 1 1 111 111 SER HB3 H 1 3.954 0.015 . 2 . . . A 111 SER HB3 . 17890 1 1258 . 1 1 111 111 SER C C 13 174.755 0.100 . 1 . . . A 111 SER C . 17890 1 1259 . 1 1 111 111 SER CA C 13 60.710 0.056 . 1 . . . A 111 SER CA . 17890 1 1260 . 1 1 111 111 SER CB C 13 62.660 0.090 . 1 . . . A 111 SER CB . 17890 1 1261 . 1 1 112 112 GLY H H 1 8.249 0.006 . 1 . . . A 112 GLY H . 17890 1 1262 . 1 1 112 112 GLY HA2 H 1 4.394 0.007 . 2 . . . A 112 GLY HA2 . 17890 1 1263 . 1 1 112 112 GLY HA3 H 1 3.698 0.007 . 2 . . . A 112 GLY HA3 . 17890 1 1264 . 1 1 112 112 GLY C C 13 173.023 0.100 . 1 . . . A 112 GLY C . 17890 1 1265 . 1 1 112 112 GLY CA C 13 44.150 0.084 . 1 . . . A 112 GLY CA . 17890 1 1266 . 1 1 112 112 GLY N N 15 107.313 0.018 . 1 . . . A 112 GLY N . 17890 1 1267 . 1 1 113 113 GLY H H 1 7.444 0.006 . 1 . . . A 113 GLY H . 17890 1 1268 . 1 1 113 113 GLY HA2 H 1 3.914 0.007 . 2 . . . A 113 GLY HA2 . 17890 1 1269 . 1 1 113 113 GLY HA3 H 1 4.693 0.010 . 2 . . . A 113 GLY HA3 . 17890 1 1270 . 1 1 113 113 GLY C C 13 175.844 0.100 . 1 . . . A 113 GLY C . 17890 1 1271 . 1 1 113 113 GLY CA C 13 42.759 0.073 . 1 . . . A 113 GLY CA . 17890 1 1272 . 1 1 113 113 GLY N N 15 105.618 0.026 . 1 . . . A 113 GLY N . 17890 1 1273 . 1 1 114 114 TYR H H 1 9.677 0.004 . 1 . . . A 114 TYR H . 17890 1 1274 . 1 1 114 114 TYR HA H 1 4.852 0.012 . 1 . . . A 114 TYR HA . 17890 1 1275 . 1 1 114 114 TYR HB2 H 1 2.787 0.017 . 2 . . . A 114 TYR HB2 . 17890 1 1276 . 1 1 114 114 TYR HB3 H 1 2.200 0.007 . 2 . . . A 114 TYR HB3 . 17890 1 1277 . 1 1 114 114 TYR HD1 H 1 6.712 0.009 . 3 . . . A 114 TYR HD1 . 17890 1 1278 . 1 1 114 114 TYR HD2 H 1 6.712 0.009 . 3 . . . A 114 TYR HD2 . 17890 1 1279 . 1 1 114 114 TYR HE1 H 1 6.676 0.010 . 3 . . . A 114 TYR HE1 . 17890 1 1280 . 1 1 114 114 TYR HE2 H 1 6.676 0.010 . 3 . . . A 114 TYR HE2 . 17890 1 1281 . 1 1 114 114 TYR C C 13 175.605 0.100 . 1 . . . A 114 TYR C . 17890 1 1282 . 1 1 114 114 TYR CA C 13 61.263 0.116 . 1 . . . A 114 TYR CA . 17890 1 1283 . 1 1 114 114 TYR CB C 13 38.933 0.183 . 1 . . . A 114 TYR CB . 17890 1 1284 . 1 1 114 114 TYR CD2 C 13 132.133 0.029 . 3 . . . A 114 TYR CD2 . 17890 1 1285 . 1 1 114 114 TYR CE2 C 13 118.663 0.100 . 3 . . . A 114 TYR CE2 . 17890 1 1286 . 1 1 114 114 TYR N N 15 121.548 0.040 . 1 . . . A 114 TYR N . 17890 1 1287 . 1 1 115 115 ASN H H 1 9.350 0.008 . 1 . . . A 115 ASN H . 17890 1 1288 . 1 1 115 115 ASN HA H 1 5.098 0.007 . 1 . . . A 115 ASN HA . 17890 1 1289 . 1 1 115 115 ASN HB2 H 1 2.994 0.012 . 2 . . . A 115 ASN HB2 . 17890 1 1290 . 1 1 115 115 ASN HB3 H 1 2.269 0.016 . 2 . . . A 115 ASN HB3 . 17890 1 1291 . 1 1 115 115 ASN HD21 H 1 6.605 0.002 . 2 . . . A 115 ASN HD21 . 17890 1 1292 . 1 1 115 115 ASN HD22 H 1 7.250 0.001 . 2 . . . A 115 ASN HD22 . 17890 1 1293 . 1 1 115 115 ASN C C 13 174.355 0.100 . 1 . . . A 115 ASN C . 17890 1 1294 . 1 1 115 115 ASN CA C 13 51.046 0.038 . 1 . . . A 115 ASN CA . 17890 1 1295 . 1 1 115 115 ASN CB C 13 40.349 0.231 . 1 . . . A 115 ASN CB . 17890 1 1296 . 1 1 115 115 ASN N N 15 123.274 0.037 . 1 . . . A 115 ASN N . 17890 1 1297 . 1 1 115 115 ASN ND2 N 15 107.865 0.024 . 1 . . . A 115 ASN ND2 . 17890 1 1298 . 1 1 116 116 ILE H H 1 9.473 0.014 . 1 . . . A 116 ILE H . 17890 1 1299 . 1 1 116 116 ILE HA H 1 4.239 0.004 . 1 . . . A 116 ILE HA . 17890 1 1300 . 1 1 116 116 ILE HB H 1 0.467 0.006 . 1 . . . A 116 ILE HB . 17890 1 1301 . 1 1 116 116 ILE HG12 H 1 0.954 0.007 . 2 . . . A 116 ILE HG12 . 17890 1 1302 . 1 1 116 116 ILE HG13 H 1 -0.026 0.010 . 2 . . . A 116 ILE HG13 . 17890 1 1303 . 1 1 116 116 ILE HG21 H 1 -1.447 0.006 . 1 . . . A 116 ILE HG21 . 17890 1 1304 . 1 1 116 116 ILE HG22 H 1 -1.447 0.006 . 1 . . . A 116 ILE HG22 . 17890 1 1305 . 1 1 116 116 ILE HG23 H 1 -1.447 0.006 . 1 . . . A 116 ILE HG23 . 17890 1 1306 . 1 1 116 116 ILE HD11 H 1 -0.866 0.006 . 1 . . . A 116 ILE HD11 . 17890 1 1307 . 1 1 116 116 ILE HD12 H 1 -0.866 0.006 . 1 . . . A 116 ILE HD12 . 17890 1 1308 . 1 1 116 116 ILE HD13 H 1 -0.866 0.006 . 1 . . . A 116 ILE HD13 . 17890 1 1309 . 1 1 116 116 ILE C C 13 173.998 0.100 . 1 . . . A 116 ILE C . 17890 1 1310 . 1 1 116 116 ILE CA C 13 62.199 0.064 . 1 . . . A 116 ILE CA . 17890 1 1311 . 1 1 116 116 ILE CB C 13 37.100 0.192 . 1 . . . A 116 ILE CB . 17890 1 1312 . 1 1 116 116 ILE CG1 C 13 26.048 0.042 . 1 . . . A 116 ILE CG1 . 17890 1 1313 . 1 1 116 116 ILE CG2 C 13 13.041 0.006 . 1 . . . A 116 ILE CG2 . 17890 1 1314 . 1 1 116 116 ILE CD1 C 13 11.665 0.031 . 1 . . . A 116 ILE CD1 . 17890 1 1315 . 1 1 116 116 ILE N N 15 130.611 0.022 . 1 . . . A 116 ILE N . 17890 1 1316 . 1 1 117 117 GLN H H 1 8.781 0.020 . 1 . . . A 117 GLN H . 17890 1 1317 . 1 1 117 117 GLN HA H 1 5.935 0.009 . 1 . . . A 117 GLN HA . 17890 1 1318 . 1 1 117 117 GLN HB2 H 1 2.064 0.010 . 2 . . . A 117 GLN HB2 . 17890 1 1319 . 1 1 117 117 GLN HB3 H 1 2.551 0.007 . 2 . . . A 117 GLN HB3 . 17890 1 1320 . 1 1 117 117 GLN HG2 H 1 2.628 0.007 . 2 . . . A 117 GLN HG2 . 17890 1 1321 . 1 1 117 117 GLN HG3 H 1 1.843 0.005 . 2 . . . A 117 GLN HG3 . 17890 1 1322 . 1 1 117 117 GLN HE21 H 1 6.720 0.002 . 2 . . . A 117 GLN HE21 . 17890 1 1323 . 1 1 117 117 GLN HE22 H 1 6.959 0.011 . 2 . . . A 117 GLN HE22 . 17890 1 1324 . 1 1 117 117 GLN C C 13 177.902 0.100 . 1 . . . A 117 GLN C . 17890 1 1325 . 1 1 117 117 GLN CA C 13 53.320 0.036 . 1 . . . A 117 GLN CA . 17890 1 1326 . 1 1 117 117 GLN CB C 13 37.457 0.075 . 1 . . . A 117 GLN CB . 17890 1 1327 . 1 1 117 117 GLN CG C 13 35.539 0.052 . 1 . . . A 117 GLN CG . 17890 1 1328 . 1 1 117 117 GLN N N 15 121.633 0.017 . 1 . . . A 117 GLN N . 17890 1 1329 . 1 1 117 117 GLN NE2 N 15 111.394 0.045 . 1 . . . A 117 GLN NE2 . 17890 1 1330 . 1 1 118 118 ASP H H 1 9.330 0.006 . 1 . . . A 118 ASP H . 17890 1 1331 . 1 1 118 118 ASP HA H 1 4.783 0.008 . 1 . . . A 118 ASP HA . 17890 1 1332 . 1 1 118 118 ASP HB2 H 1 3.078 0.007 . 2 . . . A 118 ASP HB2 . 17890 1 1333 . 1 1 118 118 ASP HB3 H 1 2.691 0.001 . 2 . . . A 118 ASP HB3 . 17890 1 1334 . 1 1 118 118 ASP C C 13 178.084 0.100 . 1 . . . A 118 ASP C . 17890 1 1335 . 1 1 118 118 ASP CA C 13 54.770 0.043 . 1 . . . A 118 ASP CA . 17890 1 1336 . 1 1 118 118 ASP CB C 13 40.368 0.028 . 1 . . . A 118 ASP CB . 17890 1 1337 . 1 1 118 118 ASP N N 15 116.836 0.019 . 1 . . . A 118 ASP N . 17890 1 1338 . 1 1 119 119 GLY H H 1 8.986 0.004 . 1 . . . A 119 GLY H . 17890 1 1339 . 1 1 119 119 GLY HA2 H 1 3.800 0.006 . 2 . . . A 119 GLY HA2 . 17890 1 1340 . 1 1 119 119 GLY HA3 H 1 3.627 0.013 . 2 . . . A 119 GLY HA3 . 17890 1 1341 . 1 1 119 119 GLY C C 13 174.196 0.100 . 1 . . . A 119 GLY C . 17890 1 1342 . 1 1 119 119 GLY CA C 13 46.976 0.097 . 1 . . . A 119 GLY CA . 17890 1 1343 . 1 1 119 119 GLY N N 15 111.037 0.051 . 1 . . . A 119 GLY N . 17890 1 1344 . 1 1 120 120 LYS H H 1 7.045 0.008 . 1 . . . A 120 LYS H . 17890 1 1345 . 1 1 120 120 LYS HA H 1 4.349 0.006 . 1 . . . A 120 LYS HA . 17890 1 1346 . 1 1 120 120 LYS HB2 H 1 2.035 0.008 . 2 . . . A 120 LYS HB2 . 17890 1 1347 . 1 1 120 120 LYS HB3 H 1 1.832 0.004 . 2 . . . A 120 LYS HB3 . 17890 1 1348 . 1 1 120 120 LYS HG2 H 1 1.526 0.005 . 2 . . . A 120 LYS HG2 . 17890 1 1349 . 1 1 120 120 LYS HG3 H 1 1.393 0.009 . 2 . . . A 120 LYS HG3 . 17890 1 1350 . 1 1 120 120 LYS HD2 H 1 1.683 0.003 . 2 . . . A 120 LYS HD2 . 17890 1 1351 . 1 1 120 120 LYS HD3 H 1 1.683 0.003 . 2 . . . A 120 LYS HD3 . 17890 1 1352 . 1 1 120 120 LYS HE2 H 1 2.991 0.007 . 2 . . . A 120 LYS HE2 . 17890 1 1353 . 1 1 120 120 LYS HE3 H 1 2.991 0.007 . 2 . . . A 120 LYS HE3 . 17890 1 1354 . 1 1 120 120 LYS C C 13 175.174 0.100 . 1 . . . A 120 LYS C . 17890 1 1355 . 1 1 120 120 LYS CA C 13 55.933 0.100 . 1 . . . A 120 LYS CA . 17890 1 1356 . 1 1 120 120 LYS CB C 13 32.476 0.056 . 1 . . . A 120 LYS CB . 17890 1 1357 . 1 1 120 120 LYS CG C 13 25.438 0.075 . 1 . . . A 120 LYS CG . 17890 1 1358 . 1 1 120 120 LYS CD C 13 28.962 0.113 . 1 . . . A 120 LYS CD . 17890 1 1359 . 1 1 120 120 LYS CE C 13 42.191 0.052 . 1 . . . A 120 LYS CE . 17890 1 1360 . 1 1 120 120 LYS N N 15 114.809 0.024 . 1 . . . A 120 LYS N . 17890 1 1361 . 1 1 121 121 ARG H H 1 7.683 0.009 . 1 . . . A 121 ARG H . 17890 1 1362 . 1 1 121 121 ARG HA H 1 3.586 0.007 . 1 . . . A 121 ARG HA . 17890 1 1363 . 1 1 121 121 ARG HB2 H 1 2.130 0.008 . 2 . . . A 121 ARG HB2 . 17890 1 1364 . 1 1 121 121 ARG HB3 H 1 1.819 0.005 . 2 . . . A 121 ARG HB3 . 17890 1 1365 . 1 1 121 121 ARG HG2 H 1 1.583 0.006 . 2 . . . A 121 ARG HG2 . 17890 1 1366 . 1 1 121 121 ARG HG3 H 1 1.344 0.006 . 2 . . . A 121 ARG HG3 . 17890 1 1367 . 1 1 121 121 ARG HD2 H 1 3.257 0.006 . 1 . . . A 121 ARG HD2 . 17890 1 1368 . 1 1 121 121 ARG HD3 H 1 3.257 0.006 . 1 . . . A 121 ARG HD3 . 17890 1 1369 . 1 1 121 121 ARG HE H 1 7.200 0.002 . 1 . . . A 121 ARG HE . 17890 1 1370 . 1 1 121 121 ARG C C 13 175.097 0.100 . 1 . . . A 121 ARG C . 17890 1 1371 . 1 1 121 121 ARG CA C 13 58.069 0.066 . 1 . . . A 121 ARG CA . 17890 1 1372 . 1 1 121 121 ARG CB C 13 26.623 0.070 . 1 . . . A 121 ARG CB . 17890 1 1373 . 1 1 121 121 ARG CG C 13 27.296 0.046 . 1 . . . A 121 ARG CG . 17890 1 1374 . 1 1 121 121 ARG CD C 13 43.946 0.127 . 1 . . . A 121 ARG CD . 17890 1 1375 . 1 1 121 121 ARG N N 15 116.291 0.021 . 1 . . . A 121 ARG N . 17890 1 1376 . 1 1 121 121 ARG NE N 15 85.174 0.012 . 1 . . . A 121 ARG NE . 17890 1 1377 . 1 1 122 122 THR H H 1 11.059 0.007 . 1 . . . A 122 THR H . 17890 1 1378 . 1 1 122 122 THR HA H 1 4.540 0.005 . 1 . . . A 122 THR HA . 17890 1 1379 . 1 1 122 122 THR HB H 1 4.219 0.002 . 1 . . . A 122 THR HB . 17890 1 1380 . 1 1 122 122 THR HG21 H 1 1.192 0.005 . 1 . . . A 122 THR HG21 . 17890 1 1381 . 1 1 122 122 THR HG22 H 1 1.192 0.005 . 1 . . . A 122 THR HG22 . 17890 1 1382 . 1 1 122 122 THR HG23 H 1 1.192 0.005 . 1 . . . A 122 THR HG23 . 17890 1 1383 . 1 1 122 122 THR C C 13 175.302 0.100 . 1 . . . A 122 THR C . 17890 1 1384 . 1 1 122 122 THR CA C 13 62.871 0.087 . 1 . . . A 122 THR CA . 17890 1 1385 . 1 1 122 122 THR CB C 13 71.552 0.053 . 1 . . . A 122 THR CB . 17890 1 1386 . 1 1 122 122 THR CG2 C 13 22.413 0.115 . 1 . . . A 122 THR CG2 . 17890 1 1387 . 1 1 122 122 THR N N 15 113.730 0.023 . 1 . . . A 122 THR N . 17890 1 1388 . 1 1 123 123 VAL H H 1 8.181 0.007 . 1 . . . A 123 VAL H . 17890 1 1389 . 1 1 123 123 VAL HA H 1 4.810 0.008 . 1 . . . A 123 VAL HA . 17890 1 1390 . 1 1 123 123 VAL HB H 1 2.077 0.004 . 1 . . . A 123 VAL HB . 17890 1 1391 . 1 1 123 123 VAL HG11 H 1 1.009 0.005 . 1 . . . A 123 VAL HG11 . 17890 1 1392 . 1 1 123 123 VAL HG12 H 1 1.009 0.005 . 1 . . . A 123 VAL HG12 . 17890 1 1393 . 1 1 123 123 VAL HG13 H 1 1.009 0.005 . 1 . . . A 123 VAL HG13 . 17890 1 1394 . 1 1 123 123 VAL HG21 H 1 0.557 0.006 . 1 . . . A 123 VAL HG21 . 17890 1 1395 . 1 1 123 123 VAL HG22 H 1 0.557 0.006 . 1 . . . A 123 VAL HG22 . 17890 1 1396 . 1 1 123 123 VAL HG23 H 1 0.557 0.006 . 1 . . . A 123 VAL HG23 . 17890 1 1397 . 1 1 123 123 VAL C C 13 174.730 0.100 . 1 . . . A 123 VAL C . 17890 1 1398 . 1 1 123 123 VAL CA C 13 60.311 0.087 . 1 . . . A 123 VAL CA . 17890 1 1399 . 1 1 123 123 VAL CB C 13 37.082 0.125 . 1 . . . A 123 VAL CB . 17890 1 1400 . 1 1 123 123 VAL CG1 C 13 22.465 0.045 . 1 . . . A 123 VAL CG1 . 17890 1 1401 . 1 1 123 123 VAL CG2 C 13 18.583 0.024 . 1 . . . A 123 VAL CG2 . 17890 1 1402 . 1 1 123 123 VAL N N 15 118.350 0.034 . 1 . . . A 123 VAL N . 17890 1 1403 . 1 1 124 124 SER H H 1 9.138 0.005 . 1 . . . A 124 SER H . 17890 1 1404 . 1 1 124 124 SER HA H 1 5.820 0.008 . 1 . . . A 124 SER HA . 17890 1 1405 . 1 1 124 124 SER HB2 H 1 4.181 0.008 . 2 . . . A 124 SER HB2 . 17890 1 1406 . 1 1 124 124 SER HB3 H 1 3.363 0.010 . 2 . . . A 124 SER HB3 . 17890 1 1407 . 1 1 124 124 SER C C 13 175.521 0.100 . 1 . . . A 124 SER C . 17890 1 1408 . 1 1 124 124 SER CA C 13 58.087 0.037 . 1 . . . A 124 SER CA . 17890 1 1409 . 1 1 124 124 SER CB C 13 67.405 0.183 . 1 . . . A 124 SER CB . 17890 1 1410 . 1 1 124 124 SER N N 15 113.053 0.019 . 1 . . . A 124 SER N . 17890 1 1411 . 1 1 125 125 TRP H H 1 8.843 0.011 . 1 . . . A 125 TRP H . 17890 1 1412 . 1 1 125 125 TRP HA H 1 5.610 0.005 . 1 . . . A 125 TRP HA . 17890 1 1413 . 1 1 125 125 TRP HB2 H 1 2.906 0.010 . 1 . . . A 125 TRP HB2 . 17890 1 1414 . 1 1 125 125 TRP HB3 H 1 2.906 0.010 . 1 . . . A 125 TRP HB3 . 17890 1 1415 . 1 1 125 125 TRP HD1 H 1 6.231 0.006 . 1 . . . A 125 TRP HD1 . 17890 1 1416 . 1 1 125 125 TRP HE1 H 1 6.074 0.012 . 1 . . . A 125 TRP HE1 . 17890 1 1417 . 1 1 125 125 TRP HE3 H 1 5.733 0.003 . 1 . . . A 125 TRP HE3 . 17890 1 1418 . 1 1 125 125 TRP HZ2 H 1 4.766 0.003 . 1 . . . A 125 TRP HZ2 . 17890 1 1419 . 1 1 125 125 TRP HZ3 H 1 5.791 0.004 . 1 . . . A 125 TRP HZ3 . 17890 1 1420 . 1 1 125 125 TRP HH2 H 1 5.868 0.002 . 1 . . . A 125 TRP HH2 . 17890 1 1421 . 1 1 125 125 TRP C C 13 178.114 0.100 . 1 . . . A 125 TRP C . 17890 1 1422 . 1 1 125 125 TRP CA C 13 55.474 0.034 . 1 . . . A 125 TRP CA . 17890 1 1423 . 1 1 125 125 TRP CB C 13 30.023 0.182 . 1 . . . A 125 TRP CB . 17890 1 1424 . 1 1 125 125 TRP CD1 C 13 120.897 0.018 . 1 . . . A 125 TRP CD1 . 17890 1 1425 . 1 1 125 125 TRP CE3 C 13 118.965 0.084 . 1 . . . A 125 TRP CE3 . 17890 1 1426 . 1 1 125 125 TRP CZ2 C 13 111.689 0.100 . 1 . . . A 125 TRP CZ2 . 17890 1 1427 . 1 1 125 125 TRP CZ3 C 13 120.449 0.025 . 1 . . . A 125 TRP CZ3 . 17890 1 1428 . 1 1 125 125 TRP CH2 C 13 122.898 0.013 . 1 . . . A 125 TRP CH2 . 17890 1 1429 . 1 1 125 125 TRP N N 15 124.900 0.054 . 1 . . . A 125 TRP N . 17890 1 1430 . 1 1 125 125 TRP NE1 N 15 123.911 0.021 . 1 . . . A 125 TRP NE1 . 17890 1 1431 . 1 1 126 126 SER H H 1 9.835 0.008 . 1 . . . A 126 SER H . 17890 1 1432 . 1 1 126 126 SER HA H 1 5.443 0.006 . 1 . . . A 126 SER HA . 17890 1 1433 . 1 1 126 126 SER HB2 H 1 3.865 0.009 . 2 . . . A 126 SER HB2 . 17890 1 1434 . 1 1 126 126 SER HB3 H 1 3.705 0.012 . 2 . . . A 126 SER HB3 . 17890 1 1435 . 1 1 126 126 SER C C 13 171.668 0.100 . 1 . . . A 126 SER C . 17890 1 1436 . 1 1 126 126 SER CA C 13 58.696 0.044 . 1 . . . A 126 SER CA . 17890 1 1437 . 1 1 126 126 SER CB C 13 66.176 0.169 . 1 . . . A 126 SER CB . 17890 1 1438 . 1 1 126 126 SER N N 15 119.243 0.042 . 1 . . . A 126 SER N . 17890 1 1439 . 1 1 127 127 LEU H H 1 6.559 0.011 . 1 . . . A 127 LEU H . 17890 1 1440 . 1 1 127 127 LEU HA H 1 5.155 0.008 . 1 . . . A 127 LEU HA . 17890 1 1441 . 1 1 127 127 LEU HB2 H 1 1.838 0.005 . 2 . . . A 127 LEU HB2 . 17890 1 1442 . 1 1 127 127 LEU HB3 H 1 1.239 0.006 . 2 . . . A 127 LEU HB3 . 17890 1 1443 . 1 1 127 127 LEU HG H 1 1.607 0.003 . 1 . . . A 127 LEU HG . 17890 1 1444 . 1 1 127 127 LEU HD11 H 1 1.048 0.009 . 1 . . . A 127 LEU HD11 . 17890 1 1445 . 1 1 127 127 LEU HD12 H 1 1.048 0.009 . 1 . . . A 127 LEU HD12 . 17890 1 1446 . 1 1 127 127 LEU HD13 H 1 1.048 0.009 . 1 . . . A 127 LEU HD13 . 17890 1 1447 . 1 1 127 127 LEU HD21 H 1 0.701 0.006 . 1 . . . A 127 LEU HD21 . 17890 1 1448 . 1 1 127 127 LEU HD22 H 1 0.701 0.006 . 1 . . . A 127 LEU HD22 . 17890 1 1449 . 1 1 127 127 LEU HD23 H 1 0.701 0.006 . 1 . . . A 127 LEU HD23 . 17890 1 1450 . 1 1 127 127 LEU C C 13 176.563 0.100 . 1 . . . A 127 LEU C . 17890 1 1451 . 1 1 127 127 LEU CA C 13 52.645 0.066 . 1 . . . A 127 LEU CA . 17890 1 1452 . 1 1 127 127 LEU CB C 13 43.696 0.127 . 1 . . . A 127 LEU CB . 17890 1 1453 . 1 1 127 127 LEU CG C 13 27.082 0.050 . 1 . . . A 127 LEU CG . 17890 1 1454 . 1 1 127 127 LEU CD1 C 13 23.346 0.053 . 1 . . . A 127 LEU CD1 . 17890 1 1455 . 1 1 127 127 LEU CD2 C 13 26.826 0.062 . 1 . . . A 127 LEU CD2 . 17890 1 1456 . 1 1 127 127 LEU N N 15 113.708 0.069 . 1 . . . A 127 LEU N . 17890 1 1457 . 1 1 128 128 ASN H H 1 8.662 0.007 . 1 . . . A 128 ASN H . 17890 1 1458 . 1 1 128 128 ASN HA H 1 4.689 0.003 . 1 . . . A 128 ASN HA . 17890 1 1459 . 1 1 128 128 ASN HB2 H 1 2.872 0.008 . 2 . . . A 128 ASN HB2 . 17890 1 1460 . 1 1 128 128 ASN HB3 H 1 2.761 0.006 . 2 . . . A 128 ASN HB3 . 17890 1 1461 . 1 1 128 128 ASN HD21 H 1 6.812 0.016 . 2 . . . A 128 ASN HD21 . 17890 1 1462 . 1 1 128 128 ASN HD22 H 1 7.632 0.008 . 2 . . . A 128 ASN HD22 . 17890 1 1463 . 1 1 128 128 ASN C C 13 175.452 0.100 . 1 . . . A 128 ASN C . 17890 1 1464 . 1 1 128 128 ASN CA C 13 56.007 0.048 . 1 . . . A 128 ASN CA . 17890 1 1465 . 1 1 128 128 ASN CB C 13 39.291 0.089 . 1 . . . A 128 ASN CB . 17890 1 1466 . 1 1 128 128 ASN CG C 13 176.370 0.002 . 1 . . . A 128 ASN CG . 17890 1 1467 . 1 1 128 128 ASN N N 15 121.739 0.024 . 1 . . . A 128 ASN N . 17890 1 1468 . 1 1 128 128 ASN ND2 N 15 113.407 0.013 . 1 . . . A 128 ASN ND2 . 17890 1 1469 . 1 1 129 129 ASN H H 1 10.962 0.009 . 1 . . . A 129 ASN H . 17890 1 1470 . 1 1 129 129 ASN HA H 1 4.997 0.007 . 1 . . . A 129 ASN HA . 17890 1 1471 . 1 1 129 129 ASN HB2 H 1 2.686 0.006 . 2 . . . A 129 ASN HB2 . 17890 1 1472 . 1 1 129 129 ASN HB3 H 1 2.589 0.007 . 2 . . . A 129 ASN HB3 . 17890 1 1473 . 1 1 129 129 ASN HD21 H 1 6.892 0.006 . 2 . . . A 129 ASN HD21 . 17890 1 1474 . 1 1 129 129 ASN HD22 H 1 7.496 0.006 . 2 . . . A 129 ASN HD22 . 17890 1 1475 . 1 1 129 129 ASN C C 13 175.900 0.100 . 1 . . . A 129 ASN C . 17890 1 1476 . 1 1 129 129 ASN CA C 13 54.233 0.069 . 1 . . . A 129 ASN CA . 17890 1 1477 . 1 1 129 129 ASN CB C 13 41.256 0.048 . 1 . . . A 129 ASN CB . 17890 1 1478 . 1 1 129 129 ASN N N 15 119.586 0.029 . 1 . . . A 129 ASN N . 17890 1 1479 . 1 1 129 129 ASN ND2 N 15 114.327 0.045 . 1 . . . A 129 ASN ND2 . 17890 1 1480 . 1 1 130 130 ALA H H 1 10.629 0.006 . 1 . . . A 130 ALA H . 17890 1 1481 . 1 1 130 130 ALA HA H 1 3.570 0.006 . 1 . . . A 130 ALA HA . 17890 1 1482 . 1 1 130 130 ALA HB1 H 1 0.716 0.010 . 1 . . . A 130 ALA HB1 . 17890 1 1483 . 1 1 130 130 ALA HB2 H 1 0.716 0.010 . 1 . . . A 130 ALA HB2 . 17890 1 1484 . 1 1 130 130 ALA HB3 H 1 0.716 0.010 . 1 . . . A 130 ALA HB3 . 17890 1 1485 . 1 1 130 130 ALA C C 13 172.620 0.100 . 1 . . . A 130 ALA C . 17890 1 1486 . 1 1 130 130 ALA CA C 13 52.639 0.048 . 1 . . . A 130 ALA CA . 17890 1 1487 . 1 1 130 130 ALA CB C 13 16.100 0.062 . 1 . . . A 130 ALA CB . 17890 1 1488 . 1 1 130 130 ALA N N 15 128.292 0.035 . 1 . . . A 130 ALA N . 17890 1 1489 . 1 1 131 131 THR H H 1 7.092 0.006 . 1 . . . A 131 THR H . 17890 1 1490 . 1 1 131 131 THR HA H 1 4.462 0.005 . 1 . . . A 131 THR HA . 17890 1 1491 . 1 1 131 131 THR HB H 1 4.193 0.004 . 1 . . . A 131 THR HB . 17890 1 1492 . 1 1 131 131 THR HG21 H 1 0.972 0.007 . 1 . . . A 131 THR HG21 . 17890 1 1493 . 1 1 131 131 THR HG22 H 1 0.972 0.007 . 1 . . . A 131 THR HG22 . 17890 1 1494 . 1 1 131 131 THR HG23 H 1 0.972 0.007 . 1 . . . A 131 THR HG23 . 17890 1 1495 . 1 1 131 131 THR C C 13 173.552 0.100 . 1 . . . A 131 THR C . 17890 1 1496 . 1 1 131 131 THR CA C 13 58.338 0.034 . 1 . . . A 131 THR CA . 17890 1 1497 . 1 1 131 131 THR CB C 13 71.569 0.078 . 1 . . . A 131 THR CB . 17890 1 1498 . 1 1 131 131 THR CG2 C 13 22.163 0.016 . 1 . . . A 131 THR CG2 . 17890 1 1499 . 1 1 131 131 THR N N 15 105.584 0.021 . 1 . . . A 131 THR N . 17890 1 1500 . 1 1 132 132 ALA H H 1 8.952 0.006 . 1 . . . A 132 ALA H . 17890 1 1501 . 1 1 132 132 ALA HA H 1 3.749 0.007 . 1 . . . A 132 ALA HA . 17890 1 1502 . 1 1 132 132 ALA HB1 H 1 1.419 0.007 . 1 . . . A 132 ALA HB1 . 17890 1 1503 . 1 1 132 132 ALA HB2 H 1 1.419 0.007 . 1 . . . A 132 ALA HB2 . 17890 1 1504 . 1 1 132 132 ALA HB3 H 1 1.419 0.007 . 1 . . . A 132 ALA HB3 . 17890 1 1505 . 1 1 132 132 ALA C C 13 178.819 0.100 . 1 . . . A 132 ALA C . 17890 1 1506 . 1 1 132 132 ALA CA C 13 54.284 0.067 . 1 . . . A 132 ALA CA . 17890 1 1507 . 1 1 132 132 ALA CB C 13 18.227 0.090 . 1 . . . A 132 ALA CB . 17890 1 1508 . 1 1 132 132 ALA N N 15 121.773 0.042 . 1 . . . A 132 ALA N . 17890 1 1509 . 1 1 133 133 GLY H H 1 9.016 0.005 . 1 . . . A 133 GLY H . 17890 1 1510 . 1 1 133 133 GLY HA2 H 1 4.268 0.006 . 2 . . . A 133 GLY HA2 . 17890 1 1511 . 1 1 133 133 GLY HA3 H 1 3.848 0.004 . 2 . . . A 133 GLY HA3 . 17890 1 1512 . 1 1 133 133 GLY C C 13 173.453 0.100 . 1 . . . A 133 GLY C . 17890 1 1513 . 1 1 133 133 GLY CA C 13 45.166 0.057 . 1 . . . A 133 GLY CA . 17890 1 1514 . 1 1 133 133 GLY N N 15 113.965 0.025 . 1 . . . A 133 GLY N . 17890 1 1515 . 1 1 134 134 GLU H H 1 7.598 0.006 . 1 . . . A 134 GLU H . 17890 1 1516 . 1 1 134 134 GLU HA H 1 3.958 0.007 . 1 . . . A 134 GLU HA . 17890 1 1517 . 1 1 134 134 GLU HB2 H 1 2.113 0.001 . 2 . . . A 134 GLU HB2 . 17890 1 1518 . 1 1 134 134 GLU HB3 H 1 2.153 0.008 . 2 . . . A 134 GLU HB3 . 17890 1 1519 . 1 1 134 134 GLU HG2 H 1 2.805 0.006 . 2 . . . A 134 GLU HG2 . 17890 1 1520 . 1 1 134 134 GLU HG3 H 1 2.323 0.004 . 2 . . . A 134 GLU HG3 . 17890 1 1521 . 1 1 134 134 GLU C C 13 176.120 0.100 . 1 . . . A 134 GLU C . 17890 1 1522 . 1 1 134 134 GLU CA C 13 57.399 0.053 . 1 . . . A 134 GLU CA . 17890 1 1523 . 1 1 134 134 GLU CB C 13 31.385 0.125 . 1 . . . A 134 GLU CB . 17890 1 1524 . 1 1 134 134 GLU CG C 13 36.444 0.051 . 1 . . . A 134 GLU CG . 17890 1 1525 . 1 1 134 134 GLU N N 15 123.460 0.014 . 1 . . . A 134 GLU N . 17890 1 1526 . 1 1 135 135 GLU H H 1 8.258 0.009 . 1 . . . A 135 GLU H . 17890 1 1527 . 1 1 135 135 GLU HA H 1 4.311 0.008 . 1 . . . A 135 GLU HA . 17890 1 1528 . 1 1 135 135 GLU HB2 H 1 1.904 0.004 . 2 . . . A 135 GLU HB2 . 17890 1 1529 . 1 1 135 135 GLU HB3 H 1 1.864 0.006 . 2 . . . A 135 GLU HB3 . 17890 1 1530 . 1 1 135 135 GLU HG2 H 1 2.437 0.010 . 2 . . . A 135 GLU HG2 . 17890 1 1531 . 1 1 135 135 GLU HG3 H 1 2.102 0.003 . 2 . . . A 135 GLU HG3 . 17890 1 1532 . 1 1 135 135 GLU C C 13 176.014 0.100 . 1 . . . A 135 GLU C . 17890 1 1533 . 1 1 135 135 GLU CA C 13 56.182 0.062 . 1 . . . A 135 GLU CA . 17890 1 1534 . 1 1 135 135 GLU CB C 13 29.453 0.085 . 1 . . . A 135 GLU CB . 17890 1 1535 . 1 1 135 135 GLU CG C 13 36.241 0.055 . 1 . . . A 135 GLU CG . 17890 1 1536 . 1 1 135 135 GLU N N 15 122.633 0.033 . 1 . . . A 135 GLU N . 17890 1 1537 . 1 1 136 136 VAL H H 1 7.267 0.010 . 1 . . . A 136 VAL H . 17890 1 1538 . 1 1 136 136 VAL HA H 1 3.692 0.005 . 1 . . . A 136 VAL HA . 17890 1 1539 . 1 1 136 136 VAL HB H 1 1.064 0.006 . 1 . . . A 136 VAL HB . 17890 1 1540 . 1 1 136 136 VAL HG11 H 1 0.687 0.004 . 1 . . . A 136 VAL HG11 . 17890 1 1541 . 1 1 136 136 VAL HG12 H 1 0.687 0.004 . 1 . . . A 136 VAL HG12 . 17890 1 1542 . 1 1 136 136 VAL HG13 H 1 0.687 0.004 . 1 . . . A 136 VAL HG13 . 17890 1 1543 . 1 1 136 136 VAL HG21 H 1 0.427 0.003 . 1 . . . A 136 VAL HG21 . 17890 1 1544 . 1 1 136 136 VAL HG22 H 1 0.427 0.003 . 1 . . . A 136 VAL HG22 . 17890 1 1545 . 1 1 136 136 VAL HG23 H 1 0.427 0.003 . 1 . . . A 136 VAL HG23 . 17890 1 1546 . 1 1 136 136 VAL C C 13 173.932 0.100 . 1 . . . A 136 VAL C . 17890 1 1547 . 1 1 136 136 VAL CA C 13 63.832 0.219 . 1 . . . A 136 VAL CA . 17890 1 1548 . 1 1 136 136 VAL CB C 13 31.864 0.065 . 1 . . . A 136 VAL CB . 17890 1 1549 . 1 1 136 136 VAL CG1 C 13 22.879 0.017 . 1 . . . A 136 VAL CG1 . 17890 1 1550 . 1 1 136 136 VAL CG2 C 13 21.387 0.017 . 1 . . . A 136 VAL CG2 . 17890 1 1551 . 1 1 136 136 VAL N N 15 123.635 0.022 . 1 . . . A 136 VAL N . 17890 1 1552 . 1 1 137 137 SER H H 1 8.454 0.008 . 1 . . . A 137 SER H . 17890 1 1553 . 1 1 137 137 SER HA H 1 4.887 0.006 . 1 . . . A 137 SER HA . 17890 1 1554 . 1 1 137 137 SER HB2 H 1 3.749 0.003 . 2 . . . A 137 SER HB2 . 17890 1 1555 . 1 1 137 137 SER HB3 H 1 3.688 0.002 . 2 . . . A 137 SER HB3 . 17890 1 1556 . 1 1 137 137 SER C C 13 173.780 0.100 . 1 . . . A 137 SER C . 17890 1 1557 . 1 1 137 137 SER CA C 13 57.895 0.026 . 1 . . . A 137 SER CA . 17890 1 1558 . 1 1 137 137 SER CB C 13 65.027 0.177 . 1 . . . A 137 SER CB . 17890 1 1559 . 1 1 137 137 SER N N 15 118.950 0.030 . 1 . . . A 137 SER N . 17890 1 1560 . 1 1 138 138 ILE H H 1 7.915 0.010 . 1 . . . A 138 ILE H . 17890 1 1561 . 1 1 138 138 ILE HA H 1 4.248 0.012 . 1 . . . A 138 ILE HA . 17890 1 1562 . 1 1 138 138 ILE HB H 1 0.976 0.004 . 1 . . . A 138 ILE HB . 17890 1 1563 . 1 1 138 138 ILE HG12 H 1 0.835 0.008 . 2 . . . A 138 ILE HG12 . 17890 1 1564 . 1 1 138 138 ILE HG13 H 1 0.067 0.001 . 2 . . . A 138 ILE HG13 . 17890 1 1565 . 1 1 138 138 ILE HG21 H 1 0.024 0.010 . 1 . . . A 138 ILE HG21 . 17890 1 1566 . 1 1 138 138 ILE HG22 H 1 0.024 0.010 . 1 . . . A 138 ILE HG22 . 17890 1 1567 . 1 1 138 138 ILE HG23 H 1 0.024 0.010 . 1 . . . A 138 ILE HG23 . 17890 1 1568 . 1 1 138 138 ILE HD11 H 1 -0.049 0.006 . 1 . . . A 138 ILE HD11 . 17890 1 1569 . 1 1 138 138 ILE HD12 H 1 -0.049 0.006 . 1 . . . A 138 ILE HD12 . 17890 1 1570 . 1 1 138 138 ILE HD13 H 1 -0.049 0.006 . 1 . . . A 138 ILE HD13 . 17890 1 1571 . 1 1 138 138 ILE C C 13 176.142 0.100 . 1 . . . A 138 ILE C . 17890 1 1572 . 1 1 138 138 ILE CA C 13 60.850 0.062 . 1 . . . A 138 ILE CA . 17890 1 1573 . 1 1 138 138 ILE CB C 13 38.595 0.120 . 1 . . . A 138 ILE CB . 17890 1 1574 . 1 1 138 138 ILE CG1 C 13 26.772 0.060 . 1 . . . A 138 ILE CG1 . 17890 1 1575 . 1 1 138 138 ILE CG2 C 13 18.023 0.055 . 1 . . . A 138 ILE CG2 . 17890 1 1576 . 1 1 138 138 ILE CD1 C 13 14.037 0.036 . 1 . . . A 138 ILE CD1 . 17890 1 1577 . 1 1 138 138 ILE N N 15 123.511 0.057 . 1 . . . A 138 ILE N . 17890 1 1578 . 1 1 139 139 GLY H H 1 8.490 0.009 . 1 . . . A 139 GLY H . 17890 1 1579 . 1 1 139 139 GLY HA2 H 1 4.155 0.005 . 2 . . . A 139 GLY HA2 . 17890 1 1580 . 1 1 139 139 GLY HA3 H 1 3.955 0.006 . 2 . . . A 139 GLY HA3 . 17890 1 1581 . 1 1 139 139 GLY C C 13 171.947 0.100 . 1 . . . A 139 GLY C . 17890 1 1582 . 1 1 139 139 GLY CA C 13 47.086 0.061 . 1 . . . A 139 GLY CA . 17890 1 1583 . 1 1 139 139 GLY N N 15 115.638 0.022 . 1 . . . A 139 GLY N . 17890 1 1584 . 1 1 140 140 ALA H H 1 8.531 0.008 . 1 . . . A 140 ALA H . 17890 1 1585 . 1 1 140 140 ALA HA H 1 4.396 0.005 . 1 . . . A 140 ALA HA . 17890 1 1586 . 1 1 140 140 ALA HB1 H 1 1.448 0.006 . 1 . . . A 140 ALA HB1 . 17890 1 1587 . 1 1 140 140 ALA HB2 H 1 1.448 0.006 . 1 . . . A 140 ALA HB2 . 17890 1 1588 . 1 1 140 140 ALA HB3 H 1 1.448 0.006 . 1 . . . A 140 ALA HB3 . 17890 1 1589 . 1 1 140 140 ALA C C 13 177.956 0.100 . 1 . . . A 140 ALA C . 17890 1 1590 . 1 1 140 140 ALA CA C 13 52.646 0.043 . 1 . . . A 140 ALA CA . 17890 1 1591 . 1 1 140 140 ALA CB C 13 19.204 0.067 . 1 . . . A 140 ALA CB . 17890 1 1592 . 1 1 140 140 ALA N N 15 128.563 0.028 . 1 . . . A 140 ALA N . 17890 1 1593 . 1 1 141 141 ASP H H 1 8.507 0.006 . 1 . . . A 141 ASP H . 17890 1 1594 . 1 1 141 141 ASP HA H 1 4.598 0.001 . 1 . . . A 141 ASP HA . 17890 1 1595 . 1 1 141 141 ASP HB2 H 1 2.626 0.009 . 2 . . . A 141 ASP HB2 . 17890 1 1596 . 1 1 141 141 ASP HB3 H 1 2.626 0.009 . 2 . . . A 141 ASP HB3 . 17890 1 1597 . 1 1 141 141 ASP C C 13 175.411 0.100 . 1 . . . A 141 ASP C . 17890 1 1598 . 1 1 141 141 ASP CA C 13 53.916 0.110 . 1 . . . A 141 ASP CA . 17890 1 1599 . 1 1 141 141 ASP CB C 13 40.692 0.098 . 1 . . . A 141 ASP CB . 17890 1 1600 . 1 1 141 141 ASP N N 15 120.886 0.041 . 1 . . . A 141 ASP N . 17890 1 1601 . 1 1 142 142 ALA H H 1 7.894 0.006 . 1 . . . A 142 ALA H . 17890 1 1602 . 1 1 142 142 ALA HA H 1 4.517 0.013 . 1 . . . A 142 ALA HA . 17890 1 1603 . 1 1 142 142 ALA HB1 H 1 1.362 0.004 . 1 . . . A 142 ALA HB1 . 17890 1 1604 . 1 1 142 142 ALA HB2 H 1 1.362 0.004 . 1 . . . A 142 ALA HB2 . 17890 1 1605 . 1 1 142 142 ALA HB3 H 1 1.362 0.004 . 1 . . . A 142 ALA HB3 . 17890 1 1606 . 1 1 142 142 ALA C C 13 177.671 0.100 . 1 . . . A 142 ALA C . 17890 1 1607 . 1 1 142 142 ALA CA C 13 51.993 0.092 . 1 . . . A 142 ALA CA . 17890 1 1608 . 1 1 142 142 ALA CB C 13 21.535 0.081 . 1 . . . A 142 ALA CB . 17890 1 1609 . 1 1 142 142 ALA N N 15 125.604 0.017 . 1 . . . A 142 ALA N . 17890 1 1610 . 1 1 143 143 THR H H 1 8.268 0.007 . 1 . . . A 143 THR H . 17890 1 1611 . 1 1 143 143 THR HA H 1 3.744 0.005 . 1 . . . A 143 THR HA . 17890 1 1612 . 1 1 143 143 THR HB H 1 3.852 0.008 . 1 . . . A 143 THR HB . 17890 1 1613 . 1 1 143 143 THR HG21 H 1 0.660 0.009 . 1 . . . A 143 THR HG21 . 17890 1 1614 . 1 1 143 143 THR HG22 H 1 0.660 0.009 . 1 . . . A 143 THR HG22 . 17890 1 1615 . 1 1 143 143 THR HG23 H 1 0.660 0.009 . 1 . . . A 143 THR HG23 . 17890 1 1616 . 1 1 143 143 THR C C 13 175.464 0.100 . 1 . . . A 143 THR C . 17890 1 1617 . 1 1 143 143 THR CA C 13 64.548 0.078 . 1 . . . A 143 THR CA . 17890 1 1618 . 1 1 143 143 THR CB C 13 69.305 0.177 . 1 . . . A 143 THR CB . 17890 1 1619 . 1 1 143 143 THR CG2 C 13 21.195 0.072 . 1 . . . A 143 THR CG2 . 17890 1 1620 . 1 1 143 143 THR N N 15 118.085 0.050 . 1 . . . A 143 THR N . 17890 1 1621 . 1 1 144 144 PHE H H 1 8.719 0.005 . 1 . . . A 144 PHE H . 17890 1 1622 . 1 1 144 144 PHE HA H 1 4.346 0.006 . 1 . . . A 144 PHE HA . 17890 1 1623 . 1 1 144 144 PHE HB2 H 1 3.154 0.008 . 2 . . . A 144 PHE HB2 . 17890 1 1624 . 1 1 144 144 PHE HB3 H 1 2.734 0.006 . 2 . . . A 144 PHE HB3 . 17890 1 1625 . 1 1 144 144 PHE HD1 H 1 7.193 0.004 . 3 . . . A 144 PHE HD1 . 17890 1 1626 . 1 1 144 144 PHE HD2 H 1 7.193 0.004 . 3 . . . A 144 PHE HD2 . 17890 1 1627 . 1 1 144 144 PHE HE1 H 1 7.404 0.007 . 3 . . . A 144 PHE HE1 . 17890 1 1628 . 1 1 144 144 PHE HE2 H 1 7.404 0.007 . 3 . . . A 144 PHE HE2 . 17890 1 1629 . 1 1 144 144 PHE HZ H 1 7.276 0.007 . 1 . . . A 144 PHE HZ . 17890 1 1630 . 1 1 144 144 PHE C C 13 176.209 0.100 . 1 . . . A 144 PHE C . 17890 1 1631 . 1 1 144 144 PHE CA C 13 61.462 0.177 . 1 . . . A 144 PHE CA . 17890 1 1632 . 1 1 144 144 PHE CB C 13 39.604 0.041 . 1 . . . A 144 PHE CB . 17890 1 1633 . 1 1 144 144 PHE CD1 C 13 131.478 0.128 . 3 . . . A 144 PHE CD1 . 17890 1 1634 . 1 1 144 144 PHE CE1 C 13 131.641 0.073 . 3 . . . A 144 PHE CE1 . 17890 1 1635 . 1 1 144 144 PHE CZ C 13 130.478 0.124 . 1 . . . A 144 PHE CZ . 17890 1 1636 . 1 1 144 144 PHE N N 15 118.635 0.043 . 1 . . . A 144 PHE N . 17890 1 1637 . 1 1 145 145 SER H H 1 8.657 0.008 . 1 . . . A 145 SER H . 17890 1 1638 . 1 1 145 145 SER HA H 1 4.866 0.005 . 1 . . . A 145 SER HA . 17890 1 1639 . 1 1 145 145 SER HB3 H 1 3.250 0.005 . 2 . . . A 145 SER HB3 . 17890 1 1640 . 1 1 145 145 SER C C 13 176.605 0.100 . 1 . . . A 145 SER C . 17890 1 1641 . 1 1 145 145 SER CA C 13 59.432 0.032 . 1 . . . A 145 SER CA . 17890 1 1642 . 1 1 145 145 SER CB C 13 62.167 0.095 . 1 . . . A 145 SER CB . 17890 1 1643 . 1 1 145 145 SER N N 15 113.446 0.087 . 1 . . . A 145 SER N . 17890 1 1644 . 1 1 146 146 GLY H H 1 7.467 0.012 . 1 . . . A 146 GLY H . 17890 1 1645 . 1 1 146 146 GLY HA2 H 1 5.149 0.011 . 2 . . . A 146 GLY HA2 . 17890 1 1646 . 1 1 146 146 GLY HA3 H 1 4.016 0.010 . 2 . . . A 146 GLY HA3 . 17890 1 1647 . 1 1 146 146 GLY C C 13 174.293 0.100 . 1 . . . A 146 GLY C . 17890 1 1648 . 1 1 146 146 GLY CA C 13 44.940 0.074 . 1 . . . A 146 GLY CA . 17890 1 1649 . 1 1 146 146 GLY N N 15 109.277 0.021 . 1 . . . A 146 GLY N . 17890 1 1650 . 1 1 147 147 ARG H H 1 7.556 0.005 . 1 . . . A 147 ARG H . 17890 1 1651 . 1 1 147 147 ARG HA H 1 5.441 0.007 . 1 . . . A 147 ARG HA . 17890 1 1652 . 1 1 147 147 ARG HB3 H 1 1.518 0.016 . 2 . . . A 147 ARG HB3 . 17890 1 1653 . 1 1 147 147 ARG HD2 H 1 2.983 0.010 . 2 . . . A 147 ARG HD2 . 17890 1 1654 . 1 1 147 147 ARG HE H 1 6.781 0.004 . 1 . . . A 147 ARG HE . 17890 1 1655 . 1 1 147 147 ARG C C 13 173.849 0.100 . 1 . . . A 147 ARG C . 17890 1 1656 . 1 1 147 147 ARG CA C 13 52.227 0.039 . 1 . . . A 147 ARG CA . 17890 1 1657 . 1 1 147 147 ARG CB C 13 32.597 0.065 . 1 . . . A 147 ARG CB . 17890 1 1658 . 1 1 147 147 ARG CD C 13 43.328 0.100 . 1 . . . A 147 ARG CD . 17890 1 1659 . 1 1 147 147 ARG N N 15 122.863 0.025 . 1 . . . A 147 ARG N . 17890 1 1660 . 1 1 147 147 ARG NE N 15 82.797 0.001 . 1 . . . A 147 ARG NE . 17890 1 1661 . 1 1 148 148 TRP H H 1 8.709 0.010 . 1 . . . A 148 TRP H . 17890 1 1662 . 1 1 148 148 TRP HA H 1 4.846 0.009 . 1 . . . A 148 TRP HA . 17890 1 1663 . 1 1 148 148 TRP HB2 H 1 2.951 0.011 . 2 . . . A 148 TRP HB2 . 17890 1 1664 . 1 1 148 148 TRP HB3 H 1 2.405 0.009 . 2 . . . A 148 TRP HB3 . 17890 1 1665 . 1 1 148 148 TRP HD1 H 1 7.473 0.008 . 1 . . . A 148 TRP HD1 . 17890 1 1666 . 1 1 148 148 TRP HE1 H 1 9.418 0.010 . 1 . . . A 148 TRP HE1 . 17890 1 1667 . 1 1 148 148 TRP HE3 H 1 7.199 0.003 . 1 . . . A 148 TRP HE3 . 17890 1 1668 . 1 1 148 148 TRP HZ2 H 1 6.889 0.009 . 1 . . . A 148 TRP HZ2 . 17890 1 1669 . 1 1 148 148 TRP HZ3 H 1 6.850 0.003 . 1 . . . A 148 TRP HZ3 . 17890 1 1670 . 1 1 148 148 TRP HH2 H 1 6.833 0.001 . 1 . . . A 148 TRP HH2 . 17890 1 1671 . 1 1 148 148 TRP C C 13 174.353 0.100 . 1 . . . A 148 TRP C . 17890 1 1672 . 1 1 148 148 TRP CA C 13 55.662 0.059 . 1 . . . A 148 TRP CA . 17890 1 1673 . 1 1 148 148 TRP CB C 13 31.999 0.082 . 1 . . . A 148 TRP CB . 17890 1 1674 . 1 1 148 148 TRP CD1 C 13 129.672 0.073 . 1 . . . A 148 TRP CD1 . 17890 1 1675 . 1 1 148 148 TRP CE3 C 13 121.338 0.057 . 1 . . . A 148 TRP CE3 . 17890 1 1676 . 1 1 148 148 TRP CZ2 C 13 112.737 0.040 . 1 . . . A 148 TRP CZ2 . 17890 1 1677 . 1 1 148 148 TRP CZ3 C 13 119.459 0.068 . 1 . . . A 148 TRP CZ3 . 17890 1 1678 . 1 1 148 148 TRP CH2 C 13 122.596 0.018 . 1 . . . A 148 TRP CH2 . 17890 1 1679 . 1 1 148 148 TRP N N 15 118.465 0.060 . 1 . . . A 148 TRP N . 17890 1 1680 . 1 1 148 148 TRP NE1 N 15 129.589 0.021 . 1 . . . A 148 TRP NE1 . 17890 1 1681 . 1 1 149 149 VAL H H 1 9.700 0.007 . 1 . . . A 149 VAL H . 17890 1 1682 . 1 1 149 149 VAL HA H 1 4.143 0.007 . 1 . . . A 149 VAL HA . 17890 1 1683 . 1 1 149 149 VAL HB H 1 0.440 0.003 . 1 . . . A 149 VAL HB . 17890 1 1684 . 1 1 149 149 VAL HG11 H 1 0.632 0.002 . 1 . . . A 149 VAL HG11 . 17890 1 1685 . 1 1 149 149 VAL HG12 H 1 0.632 0.002 . 1 . . . A 149 VAL HG12 . 17890 1 1686 . 1 1 149 149 VAL HG13 H 1 0.632 0.002 . 1 . . . A 149 VAL HG13 . 17890 1 1687 . 1 1 149 149 VAL HG21 H 1 0.437 0.004 . 1 . . . A 149 VAL HG21 . 17890 1 1688 . 1 1 149 149 VAL HG22 H 1 0.437 0.004 . 1 . . . A 149 VAL HG22 . 17890 1 1689 . 1 1 149 149 VAL HG23 H 1 0.437 0.004 . 1 . . . A 149 VAL HG23 . 17890 1 1690 . 1 1 149 149 VAL C C 13 173.613 0.100 . 1 . . . A 149 VAL C . 17890 1 1691 . 1 1 149 149 VAL CA C 13 61.740 0.054 . 1 . . . A 149 VAL CA . 17890 1 1692 . 1 1 149 149 VAL CB C 13 32.383 0.154 . 1 . . . A 149 VAL CB . 17890 1 1693 . 1 1 149 149 VAL CG1 C 13 21.796 0.034 . 1 . . . A 149 VAL CG1 . 17890 1 1694 . 1 1 149 149 VAL CG2 C 13 19.365 0.046 . 1 . . . A 149 VAL CG2 . 17890 1 1695 . 1 1 149 149 VAL N N 15 125.852 0.033 . 1 . . . A 149 VAL N . 17890 1 1696 . 1 1 150 150 ILE H H 1 7.747 0.005 . 1 . . . A 150 ILE H . 17890 1 1697 . 1 1 150 150 ILE HA H 1 4.862 0.006 . 1 . . . A 150 ILE HA . 17890 1 1698 . 1 1 150 150 ILE HB H 1 1.058 0.001 . 1 . . . A 150 ILE HB . 17890 1 1699 . 1 1 150 150 ILE HG12 H 1 0.984 0.013 . 2 . . . A 150 ILE HG12 . 17890 1 1700 . 1 1 150 150 ILE HG13 H 1 0.508 0.001 . 2 . . . A 150 ILE HG13 . 17890 1 1701 . 1 1 150 150 ILE HG21 H 1 0.127 0.004 . 1 . . . A 150 ILE HG21 . 17890 1 1702 . 1 1 150 150 ILE HG22 H 1 0.127 0.004 . 1 . . . A 150 ILE HG22 . 17890 1 1703 . 1 1 150 150 ILE HG23 H 1 0.127 0.004 . 1 . . . A 150 ILE HG23 . 17890 1 1704 . 1 1 150 150 ILE HD11 H 1 -0.546 0.003 . 1 . . . A 150 ILE HD11 . 17890 1 1705 . 1 1 150 150 ILE HD12 H 1 -0.546 0.003 . 1 . . . A 150 ILE HD12 . 17890 1 1706 . 1 1 150 150 ILE HD13 H 1 -0.546 0.003 . 1 . . . A 150 ILE HD13 . 17890 1 1707 . 1 1 150 150 ILE C C 13 175.661 0.100 . 1 . . . A 150 ILE C . 17890 1 1708 . 1 1 150 150 ILE CA C 13 60.821 0.044 . 1 . . . A 150 ILE CA . 17890 1 1709 . 1 1 150 150 ILE CB C 13 38.820 0.102 . 1 . . . A 150 ILE CB . 17890 1 1710 . 1 1 150 150 ILE CG1 C 13 26.811 0.064 . 1 . . . A 150 ILE CG1 . 17890 1 1711 . 1 1 150 150 ILE CG2 C 13 16.938 0.018 . 1 . . . A 150 ILE CG2 . 17890 1 1712 . 1 1 150 150 ILE CD1 C 13 11.747 0.050 . 1 . . . A 150 ILE CD1 . 17890 1 1713 . 1 1 150 150 ILE N N 15 125.140 0.061 . 1 . . . A 150 ILE N . 17890 1 1714 . 1 1 151 151 GLU H H 1 8.892 0.007 . 1 . . . A 151 GLU H . 17890 1 1715 . 1 1 151 151 GLU HA H 1 4.880 0.006 . 1 . . . A 151 GLU HA . 17890 1 1716 . 1 1 151 151 GLU HB2 H 1 2.120 0.003 . 2 . . . A 151 GLU HB2 . 17890 1 1717 . 1 1 151 151 GLU HB3 H 1 1.953 0.003 . 2 . . . A 151 GLU HB3 . 17890 1 1718 . 1 1 151 151 GLU HG2 H 1 2.312 0.002 . 2 . . . A 151 GLU HG2 . 17890 1 1719 . 1 1 151 151 GLU HG3 H 1 2.246 0.006 . 2 . . . A 151 GLU HG3 . 17890 1 1720 . 1 1 151 151 GLU C C 13 174.424 0.100 . 1 . . . A 151 GLU C . 17890 1 1721 . 1 1 151 151 GLU CA C 13 54.796 0.063 . 1 . . . A 151 GLU CA . 17890 1 1722 . 1 1 151 151 GLU CB C 13 34.251 0.048 . 1 . . . A 151 GLU CB . 17890 1 1723 . 1 1 151 151 GLU CG C 13 36.831 0.042 . 1 . . . A 151 GLU CG . 17890 1 1724 . 1 1 151 151 GLU N N 15 126.762 0.013 . 1 . . . A 151 GLU N . 17890 1 1725 . 1 1 152 152 LYS H H 1 8.640 0.006 . 1 . . . A 152 LYS H . 17890 1 1726 . 1 1 152 152 LYS HA H 1 3.861 0.007 . 1 . . . A 152 LYS HA . 17890 1 1727 . 1 1 152 152 LYS HB2 H 1 1.734 0.002 . 2 . . . A 152 LYS HB2 . 17890 1 1728 . 1 1 152 152 LYS HB3 H 1 1.607 0.006 . 2 . . . A 152 LYS HB3 . 17890 1 1729 . 1 1 152 152 LYS HG2 H 1 1.334 0.003 . 2 . . . A 152 LYS HG2 . 17890 1 1730 . 1 1 152 152 LYS HG3 H 1 1.223 0.002 . 2 . . . A 152 LYS HG3 . 17890 1 1731 . 1 1 152 152 LYS HD2 H 1 1.588 0.004 . 1 . . . A 152 LYS HD2 . 17890 1 1732 . 1 1 152 152 LYS HD3 H 1 1.588 0.004 . 1 . . . A 152 LYS HD3 . 17890 1 1733 . 1 1 152 152 LYS HE2 H 1 2.982 0.009 . 1 . . . A 152 LYS HE2 . 17890 1 1734 . 1 1 152 152 LYS HE3 H 1 2.982 0.009 . 1 . . . A 152 LYS HE3 . 17890 1 1735 . 1 1 152 152 LYS C C 13 176.282 0.100 . 1 . . . A 152 LYS C . 17890 1 1736 . 1 1 152 152 LYS CA C 13 57.505 0.130 . 1 . . . A 152 LYS CA . 17890 1 1737 . 1 1 152 152 LYS CB C 13 33.336 0.085 . 1 . . . A 152 LYS CB . 17890 1 1738 . 1 1 152 152 LYS CG C 13 25.160 0.044 . 1 . . . A 152 LYS CG . 17890 1 1739 . 1 1 152 152 LYS CD C 13 29.314 0.048 . 1 . . . A 152 LYS CD . 17890 1 1740 . 1 1 152 152 LYS CE C 13 42.415 0.067 . 1 . . . A 152 LYS CE . 17890 1 1741 . 1 1 152 152 LYS N N 15 126.299 0.011 . 1 . . . A 152 LYS N . 17890 1 1742 . 1 1 153 153 VAL H H 1 7.869 0.005 . 1 . . . A 153 VAL H . 17890 1 1743 . 1 1 153 153 VAL HA H 1 4.034 0.009 . 1 . . . A 153 VAL HA . 17890 1 1744 . 1 1 153 153 VAL HB H 1 1.949 0.002 . 1 . . . A 153 VAL HB . 17890 1 1745 . 1 1 153 153 VAL HG11 H 1 0.859 0.001 . 1 . . . A 153 VAL HG11 . 17890 1 1746 . 1 1 153 153 VAL HG12 H 1 0.859 0.001 . 1 . . . A 153 VAL HG12 . 17890 1 1747 . 1 1 153 153 VAL HG13 H 1 0.859 0.001 . 1 . . . A 153 VAL HG13 . 17890 1 1748 . 1 1 153 153 VAL HG21 H 1 0.795 0.001 . 1 . . . A 153 VAL HG21 . 17890 1 1749 . 1 1 153 153 VAL HG22 H 1 0.795 0.001 . 1 . . . A 153 VAL HG22 . 17890 1 1750 . 1 1 153 153 VAL HG23 H 1 0.795 0.001 . 1 . . . A 153 VAL HG23 . 17890 1 1751 . 1 1 153 153 VAL CA C 13 63.682 0.060 . 1 . . . A 153 VAL CA . 17890 1 1752 . 1 1 153 153 VAL CB C 13 33.419 0.033 . 1 . . . A 153 VAL CB . 17890 1 1753 . 1 1 153 153 VAL CG1 C 13 21.709 0.024 . 1 . . . A 153 VAL CG1 . 17890 1 1754 . 1 1 153 153 VAL CG2 C 13 20.752 0.025 . 1 . . . A 153 VAL CG2 . 17890 1 1755 . 1 1 153 153 VAL N N 15 127.796 0.025 . 1 . . . A 153 VAL N . 17890 1 stop_ save_