data_19971 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19971 _Entry.Title ; CupS ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-05-13 _Entry.Accession_date 2014-05-13 _Entry.Last_release_date 2015-06-08 _Entry.Original_release_date 2015-06-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _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 Annika Korste . . . 19971 2 Hannes Wulfhorst . . . 19971 3 Takahisa Ikegami . . . 19971 4 Marc Nowaczyk . M. . 19971 5 Raphael Stoll . . . 19971 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' . 19971 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Plant Biochemistry, Ruhr-University Bochum' . 19971 2 . 'Biomolecular NMR, Ruhr-University Bochum' . 19971 3 . 'Laboratory of Advances Protein Characterization, IPR, Osaka University' . 19971 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19971 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 647 19971 '15N chemical shifts' 156 19971 '1H chemical shifts' 1063 19971 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 . . 2015-06-08 . original BMRB . 19971 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19971 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25982357 _Citation.Full_citation . _Citation.Title ; Solution structure of the NDH-1 complex subunit CupS from Thermosynechococcus elongatus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2015 _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 Annika Korste . . . 19971 1 2 Hannes Wulfhorst . . . 19971 1 3 Takahisa Ikegami . . . 19971 1 4 Marc Nowaczyk . M. . 19971 1 5 Raphael Stoll . . . 19971 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19971 _Assembly.ID 1 _Assembly.Name CupS _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 16969.4169 _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 CupS 1 $CupS A . yes native no no . . . 19971 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CupS _Entity.Sf_category entity _Entity.Sf_framecode CupS _Entity.Entry_ID 19971 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CupS _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 ; MATIVDIAVNTPGFSTLVTA VKVANLVEALQSPGPFTVFA PNDDAFAKLPDGTITSLVQN PPQLGRILKYHVVAGAYKAT DLKRMGIVTSLEGSTIPIHG DNPLEVKNATVLAADIEAEN GIIHVIDTVILMGLDPAHSF QETNIPYKVSAWSHPQFEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The sequence of CupS contains the amino acids 1-149 followed by a C-terminal two amino acid linker and an eight residue StrepTag. ; _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 159 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16969.4169 _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 PDB 2MXA . "Solution Structure Of The Ndh-1 Complex Subunit Cups From Thermosynechococcus Elongatus" . . . . . 100.00 159 100.00 100.00 5.97e-110 . . . . 19971 1 2 no DBJ BAC07773 . "tll0220 [Thermosynechococcus elongatus BP-1]" . . . . . 93.71 149 100.00 100.00 9.80e-101 . . . . 19971 1 3 no REF NP_681011 . "hypothetical protein tll0220 [Thermosynechococcus elongatus BP-1]" . . . . . 93.71 149 100.00 100.00 9.80e-101 . . . . 19971 1 4 no REF WP_011056075 . "hypothetical protein [Thermosynechococcus elongatus]" . . . . . 93.71 149 100.00 100.00 9.80e-101 . . . . 19971 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 . MET . 19971 1 2 . ALA . 19971 1 3 . THR . 19971 1 4 . ILE . 19971 1 5 . VAL . 19971 1 6 . ASP . 19971 1 7 . ILE . 19971 1 8 . ALA . 19971 1 9 . VAL . 19971 1 10 . ASN . 19971 1 11 . THR . 19971 1 12 . PRO . 19971 1 13 . GLY . 19971 1 14 . PHE . 19971 1 15 . SER . 19971 1 16 . THR . 19971 1 17 . LEU . 19971 1 18 . VAL . 19971 1 19 . THR . 19971 1 20 . ALA . 19971 1 21 . VAL . 19971 1 22 . LYS . 19971 1 23 . VAL . 19971 1 24 . ALA . 19971 1 25 . ASN . 19971 1 26 . LEU . 19971 1 27 . VAL . 19971 1 28 . GLU . 19971 1 29 . ALA . 19971 1 30 . LEU . 19971 1 31 . GLN . 19971 1 32 . SER . 19971 1 33 . PRO . 19971 1 34 . GLY . 19971 1 35 . PRO . 19971 1 36 . PHE . 19971 1 37 . THR . 19971 1 38 . VAL . 19971 1 39 . PHE . 19971 1 40 . ALA . 19971 1 41 . PRO . 19971 1 42 . ASN . 19971 1 43 . ASP . 19971 1 44 . ASP . 19971 1 45 . ALA . 19971 1 46 . PHE . 19971 1 47 . ALA . 19971 1 48 . LYS . 19971 1 49 . LEU . 19971 1 50 . PRO . 19971 1 51 . ASP . 19971 1 52 . GLY . 19971 1 53 . THR . 19971 1 54 . ILE . 19971 1 55 . THR . 19971 1 56 . SER . 19971 1 57 . LEU . 19971 1 58 . VAL . 19971 1 59 . GLN . 19971 1 60 . ASN . 19971 1 61 . PRO . 19971 1 62 . PRO . 19971 1 63 . GLN . 19971 1 64 . LEU . 19971 1 65 . GLY . 19971 1 66 . ARG . 19971 1 67 . ILE . 19971 1 68 . LEU . 19971 1 69 . LYS . 19971 1 70 . TYR . 19971 1 71 . HIS . 19971 1 72 . VAL . 19971 1 73 . VAL . 19971 1 74 . ALA . 19971 1 75 . GLY . 19971 1 76 . ALA . 19971 1 77 . TYR . 19971 1 78 . LYS . 19971 1 79 . ALA . 19971 1 80 . THR . 19971 1 81 . ASP . 19971 1 82 . LEU . 19971 1 83 . LYS . 19971 1 84 . ARG . 19971 1 85 . MET . 19971 1 86 . GLY . 19971 1 87 . ILE . 19971 1 88 . VAL . 19971 1 89 . THR . 19971 1 90 . SER . 19971 1 91 . LEU . 19971 1 92 . GLU . 19971 1 93 . GLY . 19971 1 94 . SER . 19971 1 95 . THR . 19971 1 96 . ILE . 19971 1 97 . PRO . 19971 1 98 . ILE . 19971 1 99 . HIS . 19971 1 100 . GLY . 19971 1 101 . ASP . 19971 1 102 . ASN . 19971 1 103 . PRO . 19971 1 104 . LEU . 19971 1 105 . GLU . 19971 1 106 . VAL . 19971 1 107 . LYS . 19971 1 108 . ASN . 19971 1 109 . ALA . 19971 1 110 . THR . 19971 1 111 . VAL . 19971 1 112 . LEU . 19971 1 113 . ALA . 19971 1 114 . ALA . 19971 1 115 . ASP . 19971 1 116 . ILE . 19971 1 117 . GLU . 19971 1 118 . ALA . 19971 1 119 . GLU . 19971 1 120 . ASN . 19971 1 121 . GLY . 19971 1 122 . ILE . 19971 1 123 . ILE . 19971 1 124 . HIS . 19971 1 125 . VAL . 19971 1 126 . ILE . 19971 1 127 . ASP . 19971 1 128 . THR . 19971 1 129 . VAL . 19971 1 130 . ILE . 19971 1 131 . LEU . 19971 1 132 . MET . 19971 1 133 . GLY . 19971 1 134 . LEU . 19971 1 135 . ASP . 19971 1 136 . PRO . 19971 1 137 . ALA . 19971 1 138 . HIS . 19971 1 139 . SER . 19971 1 140 . PHE . 19971 1 141 . GLN . 19971 1 142 . GLU . 19971 1 143 . THR . 19971 1 144 . ASN . 19971 1 145 . ILE . 19971 1 146 . PRO . 19971 1 147 . TYR . 19971 1 148 . LYS . 19971 1 149 . VAL . 19971 1 150 . SER . 19971 1 151 . ALA . 19971 1 152 . TRP . 19971 1 153 . SER . 19971 1 154 . HIS . 19971 1 155 . PRO . 19971 1 156 . GLN . 19971 1 157 . PHE . 19971 1 158 . GLU . 19971 1 159 . LYS . 19971 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 19971 1 . ALA 2 2 19971 1 . THR 3 3 19971 1 . ILE 4 4 19971 1 . VAL 5 5 19971 1 . ASP 6 6 19971 1 . ILE 7 7 19971 1 . ALA 8 8 19971 1 . VAL 9 9 19971 1 . ASN 10 10 19971 1 . THR 11 11 19971 1 . PRO 12 12 19971 1 . GLY 13 13 19971 1 . PHE 14 14 19971 1 . SER 15 15 19971 1 . THR 16 16 19971 1 . LEU 17 17 19971 1 . VAL 18 18 19971 1 . THR 19 19 19971 1 . ALA 20 20 19971 1 . VAL 21 21 19971 1 . LYS 22 22 19971 1 . VAL 23 23 19971 1 . ALA 24 24 19971 1 . ASN 25 25 19971 1 . LEU 26 26 19971 1 . VAL 27 27 19971 1 . GLU 28 28 19971 1 . ALA 29 29 19971 1 . LEU 30 30 19971 1 . GLN 31 31 19971 1 . SER 32 32 19971 1 . PRO 33 33 19971 1 . GLY 34 34 19971 1 . PRO 35 35 19971 1 . PHE 36 36 19971 1 . THR 37 37 19971 1 . VAL 38 38 19971 1 . PHE 39 39 19971 1 . ALA 40 40 19971 1 . PRO 41 41 19971 1 . ASN 42 42 19971 1 . ASP 43 43 19971 1 . ASP 44 44 19971 1 . ALA 45 45 19971 1 . PHE 46 46 19971 1 . ALA 47 47 19971 1 . LYS 48 48 19971 1 . LEU 49 49 19971 1 . PRO 50 50 19971 1 . ASP 51 51 19971 1 . GLY 52 52 19971 1 . THR 53 53 19971 1 . ILE 54 54 19971 1 . THR 55 55 19971 1 . SER 56 56 19971 1 . LEU 57 57 19971 1 . VAL 58 58 19971 1 . GLN 59 59 19971 1 . ASN 60 60 19971 1 . PRO 61 61 19971 1 . PRO 62 62 19971 1 . GLN 63 63 19971 1 . LEU 64 64 19971 1 . GLY 65 65 19971 1 . ARG 66 66 19971 1 . ILE 67 67 19971 1 . LEU 68 68 19971 1 . LYS 69 69 19971 1 . TYR 70 70 19971 1 . HIS 71 71 19971 1 . VAL 72 72 19971 1 . VAL 73 73 19971 1 . ALA 74 74 19971 1 . GLY 75 75 19971 1 . ALA 76 76 19971 1 . TYR 77 77 19971 1 . LYS 78 78 19971 1 . ALA 79 79 19971 1 . THR 80 80 19971 1 . ASP 81 81 19971 1 . LEU 82 82 19971 1 . LYS 83 83 19971 1 . ARG 84 84 19971 1 . MET 85 85 19971 1 . GLY 86 86 19971 1 . ILE 87 87 19971 1 . VAL 88 88 19971 1 . THR 89 89 19971 1 . SER 90 90 19971 1 . LEU 91 91 19971 1 . GLU 92 92 19971 1 . GLY 93 93 19971 1 . SER 94 94 19971 1 . THR 95 95 19971 1 . ILE 96 96 19971 1 . PRO 97 97 19971 1 . ILE 98 98 19971 1 . HIS 99 99 19971 1 . GLY 100 100 19971 1 . ASP 101 101 19971 1 . ASN 102 102 19971 1 . PRO 103 103 19971 1 . LEU 104 104 19971 1 . GLU 105 105 19971 1 . VAL 106 106 19971 1 . LYS 107 107 19971 1 . ASN 108 108 19971 1 . ALA 109 109 19971 1 . THR 110 110 19971 1 . VAL 111 111 19971 1 . LEU 112 112 19971 1 . ALA 113 113 19971 1 . ALA 114 114 19971 1 . ASP 115 115 19971 1 . ILE 116 116 19971 1 . GLU 117 117 19971 1 . ALA 118 118 19971 1 . GLU 119 119 19971 1 . ASN 120 120 19971 1 . GLY 121 121 19971 1 . ILE 122 122 19971 1 . ILE 123 123 19971 1 . HIS 124 124 19971 1 . VAL 125 125 19971 1 . ILE 126 126 19971 1 . ASP 127 127 19971 1 . THR 128 128 19971 1 . VAL 129 129 19971 1 . ILE 130 130 19971 1 . LEU 131 131 19971 1 . MET 132 132 19971 1 . GLY 133 133 19971 1 . LEU 134 134 19971 1 . ASP 135 135 19971 1 . PRO 136 136 19971 1 . ALA 137 137 19971 1 . HIS 138 138 19971 1 . SER 139 139 19971 1 . PHE 140 140 19971 1 . GLN 141 141 19971 1 . GLU 142 142 19971 1 . THR 143 143 19971 1 . ASN 144 144 19971 1 . ILE 145 145 19971 1 . PRO 146 146 19971 1 . TYR 147 147 19971 1 . LYS 148 148 19971 1 . VAL 149 149 19971 1 . SER 150 150 19971 1 . ALA 151 151 19971 1 . TRP 152 152 19971 1 . SER 153 153 19971 1 . HIS 154 154 19971 1 . PRO 155 155 19971 1 . GLN 156 156 19971 1 . PHE 157 157 19971 1 . GLU 158 158 19971 1 . LYS 159 159 19971 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 19971 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CupS . 146786 organism . 'Thermosynechococcus elongatus' 'Thermosynechococcus elongatus' . . Bacteria . Thermosynechococcus elongatus . . . . . . . . . . . . . 19971 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 19971 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CupS . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pRSET6a . . . 19971 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CupS_1 _Sample.Sf_category sample _Sample.Sf_framecode CupS_1 _Sample.Entry_ID 19971 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Buffer: 50 mM Tris (pH 8.0), 50 mM NaCl, 10 mM deuterated DTT' _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 CupS '[U-99% 13C; U-99% 15N]' . . 1 $CupS . . 0.5 . . mM . . . . 19971 1 2 Tris 'natural abundance' . . . . . . 50 . . mM . . . . 19971 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19971 1 4 DTT [U-2H] . . . . . . 10 . . mM . . . . 19971 1 stop_ save_ ####################### # Sample conditions # ####################### save_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 1 _Sample_condition_list.Entry_ID 19971 _Sample_condition_list.ID 1 _Sample_condition_list.Details '298 K, pH 8.0' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 8.0 . pH 19971 1 pressure 1 . atm 19971 1 temperature 298 . K 19971 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 19971 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.2 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 19971 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum analysis' 19971 1 stop_ save_ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 19971 _Software.ID 2 _Software.Name nmrDraw _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19971 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum display' 19971 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 19971 _Software.ID 3 _Software.Name nmrPipe _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19971 3 "Linge, O'Donoghue and Nilges" . . 19971 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 19971 3 'structure solution' 19971 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19971 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19971 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19971 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19971 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19971 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19971 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_BrukerBioSpin_Avance-III_950 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode BrukerBioSpin_Avance-III_950 _NMR_spectrometer.Entry_ID 19971 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'z-axis gradient, triple resonance cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_Bruker_DRX-500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_DRX-500 _NMR_spectrometer.Entry_ID 19971 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'xyz-axis gradient, triple resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_Bruker_DRX-600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_DRX-600 _NMR_spectrometer.Entry_ID 19971 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'xyz-axis gradient, triple resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_BrukerBioSpin_Avance-I_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode BrukerBioSpin_Avance-I_800 _NMR_spectrometer.Entry_ID 19971 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'z-axis gradient, triple resonance cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19971 _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 BrukerBioSpin_Avance-III_950 Bruker Avance . 950 'z-axis gradient, triple resonance cryogenic probe' . . 19971 1 2 Bruker_DRX-500 Bruker DRX . 500 'xyz-axis gradient, triple resonance probe' . . 19971 1 3 Bruker_DRX-600 Bruker DRX . 600 'xyz-axis gradient, triple resonance probe' . . 19971 1 4 BrukerBioSpin_Avance-I_800 Bruker Avance . 800 'z-axis gradient, triple resonance cryogenic probe' . . 19971 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 19971 _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/HMQC' no . . . . . . . . . . 1 $CupS_1 isotropic . . 1 $1 . . . 1 $BrukerBioSpin_Avance-III_950 . . . . . . . . . . . . . . . . 19971 1 2 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . 1 $CupS_1 isotropic . . 1 $1 . . . 1 $BrukerBioSpin_Avance-III_950 . . . . . . . . . . . . . . . . 19971 1 3 '3D HNCACB' no . . . . . . . . . . 1 $CupS_1 isotropic . . 1 $1 . . . 1 $BrukerBioSpin_Avance-III_950 . . . . . . . . . . . . . . . . 19971 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $CupS_1 isotropic . . 1 $1 . . . 1 $BrukerBioSpin_Avance-III_950 . . . . . . . . . . . . . . . . 19971 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $CupS_1 isotropic . . 1 $1 . . . 1 $BrukerBioSpin_Avance-III_950 . . . . . . . . . . . . . . . . 19971 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $CupS_1 isotropic . . 1 $1 . . . 2 $Bruker_DRX-500 . . . . . . . . . . . . . . . . 19971 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $CupS_1 isotropic . . 1 $1 . . . 2 $Bruker_DRX-500 . . . . . . . . . . . . . . . . 19971 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $CupS_1 isotropic . . 1 $1 . . . 2 $Bruker_DRX-500 . . . . . . . . . . . . . . . . 19971 1 9 '3D HNCO' no . . . . . . . . . . 1 $CupS_1 isotropic . . 1 $1 . . . 3 $Bruker_DRX-600 . . . . . . . . . . . . . . . . 19971 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $CupS_1 isotropic . . 1 $1 . . . 1 $BrukerBioSpin_Avance-III_950 . . . . . . . . . . . . . . . . 19971 1 11 '3D HCCH-COSY' no . . . . . . . . . . 1 $CupS_1 isotropic . . 1 $1 . . . 1 $BrukerBioSpin_Avance-III_950 . . . . . . . . . . . . . . . . 19971 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $CupS_1 isotropic . . 1 $1 . . . 4 $BrukerBioSpin_Avance-I_800 . . . . . . . . . . . . . . . . 19971 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $CupS_1 isotropic . . 1 $1 . . . 1 $BrukerBioSpin_Avance-III_950 . . . . . . . . . . . . . . . . 19971 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 19971 _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 water protons . . . . ppm 4.77 internal indirect 0.25146844 . . . . . . . . . 19971 1 H 1 water protons . . . . ppm 4.77 internal direct 1.00000000 . . . . . . . . . 19971 1 N 15 water protons . . . . ppm 4.77 internal indirect 0.10134016 . . . . . . . . . 19971 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19971 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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/HMQC' 1 $CupS_1 isotropic 19971 1 2 '2D 1H-13C HSQC/HMQC' 1 $CupS_1 isotropic 19971 1 3 '3D HNCACB' 1 $CupS_1 isotropic 19971 1 4 '3D CBCA(CO)NH' 1 $CupS_1 isotropic 19971 1 5 '3D 1H-15N NOESY' 1 $CupS_1 isotropic 19971 1 6 '3D HBHA(CO)NH' 1 $CupS_1 isotropic 19971 1 7 '3D H(CCO)NH' 1 $CupS_1 isotropic 19971 1 8 '3D C(CO)NH' 1 $CupS_1 isotropic 19971 1 9 '3D HNCO' 1 $CupS_1 isotropic 19971 1 10 '3D HCCH-TOCSY' 1 $CupS_1 isotropic 19971 1 11 '3D HCCH-COSY' 1 $CupS_1 isotropic 19971 1 12 '3D 1H-13C NOESY aliphatic' 1 $CupS_1 isotropic 19971 1 13 '3D 1H-13C NOESY aromatic' 1 $CupS_1 isotropic 19971 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 19971 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.302 0.004 . 1 . 616 . . 2 ALA HA . 19971 1 2 . 1 1 2 2 ALA HB1 H 1 1.533 0.006 . 1 . 615 . . 2 ALA HB1 . 19971 1 3 . 1 1 2 2 ALA HB2 H 1 1.533 0.006 . 1 . 615 . . 2 ALA HB2 . 19971 1 4 . 1 1 2 2 ALA HB3 H 1 1.533 0.006 . 1 . 615 . . 2 ALA HB3 . 19971 1 5 . 1 1 2 2 ALA C C 13 174.953 0.0 . 1 . 957 . . 2 ALA C . 19971 1 6 . 1 1 2 2 ALA CA C 13 51.513 0.029 . 1 . 535 . . 2 ALA CA . 19971 1 7 . 1 1 2 2 ALA CB C 13 19.691 0.045 . 1 . 536 . . 2 ALA CB . 19971 1 8 . 1 1 3 3 THR H H 1 9.684 0.02 . 1 . 126 . . 3 THR H . 19971 1 9 . 1 1 3 3 THR HA H 1 4.411 0.01 . 1 . 618 . . 3 THR HA . 19971 1 10 . 1 1 3 3 THR HB H 1 4.637 0.02 . 1 . 617 . . 3 THR HB . 19971 1 11 . 1 1 3 3 THR HG21 H 1 1.291 0.006 . 1 . 1282 . . 3 THR HG21 . 19971 1 12 . 1 1 3 3 THR HG22 H 1 1.291 0.006 . 1 . 1282 . . 3 THR HG22 . 19971 1 13 . 1 1 3 3 THR HG23 H 1 1.291 0.006 . 1 . 1282 . . 3 THR HG23 . 19971 1 14 . 1 1 3 3 THR C C 13 174.820 0.0 . 1 . 1090 . . 3 THR C . 19971 1 15 . 1 1 3 3 THR CA C 13 61.745 0.069 . 1 . 340 . . 3 THR CA . 19971 1 16 . 1 1 3 3 THR CB C 13 73.077 0.068 . 1 . 339 . . 3 THR CB . 19971 1 17 . 1 1 3 3 THR N N 15 115.678 0.028 . 1 . 127 . . 3 THR N . 19971 1 18 . 1 1 4 4 ILE H H 1 9.158 0.004 . 1 . 29 . . 4 ILE H . 19971 1 19 . 1 1 4 4 ILE HA H 1 3.376 0.006 . 1 . 1564 . . 4 ILE HA . 19971 1 20 . 1 1 4 4 ILE HB H 1 1.850 0.002 . 1 . 1565 . . 4 ILE HB . 19971 1 21 . 1 1 4 4 ILE HG12 H 1 0.791 0.006 . 2 . 1568 . . 4 ILE HG12 . 19971 1 22 . 1 1 4 4 ILE HG13 H 1 1.646 0.002 . 2 . 1570 . . 4 ILE HG13 . 19971 1 23 . 1 1 4 4 ILE HG21 H 1 0.707 0.006 . 1 . 1566 . . 4 ILE HG21 . 19971 1 24 . 1 1 4 4 ILE HG22 H 1 0.707 0.006 . 1 . 1566 . . 4 ILE HG22 . 19971 1 25 . 1 1 4 4 ILE HG23 H 1 0.707 0.006 . 1 . 1566 . . 4 ILE HG23 . 19971 1 26 . 1 1 4 4 ILE HD11 H 1 0.846 0.003 . 1 . 1563 . . 4 ILE HD11 . 19971 1 27 . 1 1 4 4 ILE HD12 H 1 0.846 0.003 . 1 . 1563 . . 4 ILE HD12 . 19971 1 28 . 1 1 4 4 ILE HD13 H 1 0.846 0.003 . 1 . 1563 . . 4 ILE HD13 . 19971 1 29 . 1 1 4 4 ILE CA C 13 65.934 0.087 . 1 . 537 . . 4 ILE CA . 19971 1 30 . 1 1 4 4 ILE CB C 13 39.339 0.06 . 1 . 458 . . 4 ILE CB . 19971 1 31 . 1 1 4 4 ILE CG1 C 13 29.684 0.046 . 1 . 1569 . . 4 ILE CG1 . 19971 1 32 . 1 1 4 4 ILE CG2 C 13 16.643 0.057 . 1 . 1567 . . 4 ILE CG2 . 19971 1 33 . 1 1 4 4 ILE CD1 C 13 14.624 0.064 . 1 . 1562 . . 4 ILE CD1 . 19971 1 34 . 1 1 4 4 ILE N N 15 119.275 0.058 . 1 . 30 . . 4 ILE N . 19971 1 35 . 1 1 5 5 VAL H H 1 6.624 0.003 . 1 . 98 . . 5 VAL H . 19971 1 36 . 1 1 5 5 VAL HA H 1 3.280 0.019 . 1 . 619 . . 5 VAL HA . 19971 1 37 . 1 1 5 5 VAL HB H 1 1.703 0.014 . 1 . 620 . . 5 VAL HB . 19971 1 38 . 1 1 5 5 VAL HG11 H 1 0.823 0.013 . 2 . 905 . . 5 VAL HG11 . 19971 1 39 . 1 1 5 5 VAL HG12 H 1 0.823 0.013 . 2 . 905 . . 5 VAL HG12 . 19971 1 40 . 1 1 5 5 VAL HG13 H 1 0.823 0.013 . 2 . 905 . . 5 VAL HG13 . 19971 1 41 . 1 1 5 5 VAL HG21 H 1 0.789 0.011 . 2 . 904 . . 5 VAL HG21 . 19971 1 42 . 1 1 5 5 VAL HG22 H 1 0.789 0.011 . 2 . 904 . . 5 VAL HG22 . 19971 1 43 . 1 1 5 5 VAL HG23 H 1 0.789 0.011 . 2 . 904 . . 5 VAL HG23 . 19971 1 44 . 1 1 5 5 VAL C C 13 175.827 0.0 . 1 . 1091 . . 5 VAL C . 19971 1 45 . 1 1 5 5 VAL CA C 13 66.720 0.013 . 1 . 538 . . 5 VAL CA . 19971 1 46 . 1 1 5 5 VAL CB C 13 31.986 0.048 . 1 . 539 . . 5 VAL CB . 19971 1 47 . 1 1 5 5 VAL CG1 C 13 24.207 0.025 . 2 . 958 . . 5 VAL CG1 . 19971 1 48 . 1 1 5 5 VAL CG2 C 13 21.115 0.034 . 2 . 959 . . 5 VAL CG2 . 19971 1 49 . 1 1 5 5 VAL N N 15 114.233 0.027 . 1 . 99 . . 5 VAL N . 19971 1 50 . 1 1 6 6 ASP H H 1 7.142 0.006 . 1 . 232 . . 6 ASP H . 19971 1 51 . 1 1 6 6 ASP HA H 1 4.202 0.011 . 1 . 622 . . 6 ASP HA . 19971 1 52 . 1 1 6 6 ASP HB2 H 1 2.720 0.06 . 2 . 621 . . 6 ASP HB2 . 19971 1 53 . 1 1 6 6 ASP HB3 H 1 2.859 0.066 . 2 . 1224 . . 6 ASP HB3 . 19971 1 54 . 1 1 6 6 ASP C C 13 178.827 0.0 . 1 . 1092 . . 6 ASP C . 19971 1 55 . 1 1 6 6 ASP CA C 13 57.641 0.041 . 1 . 440 . . 6 ASP CA . 19971 1 56 . 1 1 6 6 ASP CB C 13 40.980 0.043 . 1 . 441 . . 6 ASP CB . 19971 1 57 . 1 1 6 6 ASP N N 15 119.044 0.033 . 1 . 233 . . 6 ASP N . 19971 1 58 . 1 1 7 7 ILE H H 1 8.074 0.007 . 1 . 212 . . 7 ILE H . 19971 1 59 . 1 1 7 7 ILE HA H 1 3.602 0.008 . 1 . 623 . . 7 ILE HA . 19971 1 60 . 1 1 7 7 ILE HB H 1 1.609 0.011 . 1 . 1292 . . 7 ILE HB . 19971 1 61 . 1 1 7 7 ILE HG12 H 1 1.550 0.004 . 2 . 1297 . . 7 ILE HG12 . 19971 1 62 . 1 1 7 7 ILE HG13 H 1 1.029 0.02 . 2 . 1298 . . 7 ILE HG13 . 19971 1 63 . 1 1 7 7 ILE HG21 H 1 0.619 0.014 . 1 . 1293 . . 7 ILE HG21 . 19971 1 64 . 1 1 7 7 ILE HG22 H 1 0.619 0.014 . 1 . 1293 . . 7 ILE HG22 . 19971 1 65 . 1 1 7 7 ILE HG23 H 1 0.619 0.014 . 1 . 1293 . . 7 ILE HG23 . 19971 1 66 . 1 1 7 7 ILE HD11 H 1 0.688 0.007 . 1 . 1295 . . 7 ILE HD11 . 19971 1 67 . 1 1 7 7 ILE HD12 H 1 0.688 0.007 . 1 . 1295 . . 7 ILE HD12 . 19971 1 68 . 1 1 7 7 ILE HD13 H 1 0.688 0.007 . 1 . 1295 . . 7 ILE HD13 . 19971 1 69 . 1 1 7 7 ILE C C 13 178.718 0.0 . 1 . 1093 . . 7 ILE C . 19971 1 70 . 1 1 7 7 ILE CA C 13 64.982 0.026 . 1 . 465 . . 7 ILE CA . 19971 1 71 . 1 1 7 7 ILE CB C 13 37.555 0.083 . 1 . 466 . . 7 ILE CB . 19971 1 72 . 1 1 7 7 ILE CG1 C 13 28.877 0.069 . 1 . 1299 . . 7 ILE CG1 . 19971 1 73 . 1 1 7 7 ILE CG2 C 13 16.754 0.013 . 1 . 1294 . . 7 ILE CG2 . 19971 1 74 . 1 1 7 7 ILE CD1 C 13 13.127 0.05 . 1 . 1296 . . 7 ILE CD1 . 19971 1 75 . 1 1 7 7 ILE N N 15 118.932 0.053 . 1 . 213 . . 7 ILE N . 19971 1 76 . 1 1 8 8 ALA H H 1 7.829 0.01 . 1 . 463 . . 8 ALA H . 19971 1 77 . 1 1 8 8 ALA HA H 1 3.779 0.011 . 1 . 1071 . . 8 ALA HA . 19971 1 78 . 1 1 8 8 ALA HB1 H 1 1.142 0.02 . 1 . 1070 . . 8 ALA HB1 . 19971 1 79 . 1 1 8 8 ALA HB2 H 1 1.142 0.02 . 1 . 1070 . . 8 ALA HB2 . 19971 1 80 . 1 1 8 8 ALA HB3 H 1 1.142 0.02 . 1 . 1070 . . 8 ALA HB3 . 19971 1 81 . 1 1 8 8 ALA CA C 13 55.389 0.02 . 1 . 541 . . 8 ALA CA . 19971 1 82 . 1 1 8 8 ALA CB C 13 16.851 0.04 . 1 . 540 . . 8 ALA CB . 19971 1 83 . 1 1 8 8 ALA N N 15 123.380 0.045 . 1 . 464 . . 8 ALA N . 19971 1 84 . 1 1 9 9 VAL H H 1 8.359 0.009 . 1 . 533 . . 9 VAL H . 19971 1 85 . 1 1 9 9 VAL HA H 1 3.672 0.004 . 1 . 1595 . . 9 VAL HA . 19971 1 86 . 1 1 9 9 VAL HB H 1 2.091 0.011 . 1 . 1594 . . 9 VAL HB . 19971 1 87 . 1 1 9 9 VAL HG11 H 1 0.891 0.007 . 2 . 1597 . . 9 VAL HG11 . 19971 1 88 . 1 1 9 9 VAL HG12 H 1 0.891 0.007 . 2 . 1597 . . 9 VAL HG12 . 19971 1 89 . 1 1 9 9 VAL HG13 H 1 0.891 0.007 . 2 . 1597 . . 9 VAL HG13 . 19971 1 90 . 1 1 9 9 VAL HG21 H 1 1.015 0.006 . 2 . 1596 . . 9 VAL HG21 . 19971 1 91 . 1 1 9 9 VAL HG22 H 1 1.015 0.006 . 2 . 1596 . . 9 VAL HG22 . 19971 1 92 . 1 1 9 9 VAL HG23 H 1 1.015 0.006 . 2 . 1596 . . 9 VAL HG23 . 19971 1 93 . 1 1 9 9 VAL C C 13 177.497 0.0 . 1 . 1094 . . 9 VAL C . 19971 1 94 . 1 1 9 9 VAL CA C 13 65.444 0.031 . 1 . 1598 . . 9 VAL CA . 19971 1 95 . 1 1 9 9 VAL CB C 13 31.968 0.097 . 1 . 1593 . . 9 VAL CB . 19971 1 96 . 1 1 9 9 VAL CG1 C 13 20.747 0.001 . 2 . 1599 . . 9 VAL CG1 . 19971 1 97 . 1 1 9 9 VAL CG2 C 13 23.245 0.05 . 2 . 1600 . . 9 VAL CG2 . 19971 1 98 . 1 1 9 9 VAL N N 15 114.060 0.076 . 1 . 534 . . 9 VAL N . 19971 1 99 . 1 1 10 10 ASN H H 1 7.629 0.011 . 1 . 31 . . 10 ASN H . 19971 1 100 . 1 1 10 10 ASN HA H 1 4.723 0.013 . 1 . 847 . . 10 ASN HA . 19971 1 101 . 1 1 10 10 ASN HB2 H 1 2.921 0.013 . 2 . 848 . . 10 ASN HB2 . 19971 1 102 . 1 1 10 10 ASN HB3 H 1 2.698 0.007 . 2 . 849 . . 10 ASN HB3 . 19971 1 103 . 1 1 10 10 ASN HD21 H 1 7.011 0.004 . 1 . 266 . . 10 ASN HD21 . 19971 1 104 . 1 1 10 10 ASN HD22 H 1 7.775 0.005 . 1 . 169 . . 10 ASN HD22 . 19971 1 105 . 1 1 10 10 ASN C C 13 174.650 0.0 . 1 . 1095 . . 10 ASN C . 19971 1 106 . 1 1 10 10 ASN CA C 13 54.068 0.038 . 1 . 467 . . 10 ASN CA . 19971 1 107 . 1 1 10 10 ASN CB C 13 40.075 0.067 . 1 . 468 . . 10 ASN CB . 19971 1 108 . 1 1 10 10 ASN CG C 13 177.597 0.019 . 1 . 1546 . . 10 ASN CG . 19971 1 109 . 1 1 10 10 ASN N N 15 114.745 0.035 . 1 . 32 . . 10 ASN N . 19971 1 110 . 1 1 10 10 ASN ND2 N 15 114.759 0.033 . 1 . 267 . . 10 ASN ND2 . 19971 1 111 . 1 1 11 11 THR H H 1 7.498 0.005 . 1 . 228 . . 11 THR H . 19971 1 112 . 1 1 11 11 THR HA H 1 4.754 0.019 . 1 . 1225 . . 11 THR HA . 19971 1 113 . 1 1 11 11 THR HB H 1 4.133 0.012 . 1 . 1226 . . 11 THR HB . 19971 1 114 . 1 1 11 11 THR HG1 H 1 5.953 0.021 . 1 . 1517 . . 11 THR HG1 . 19971 1 115 . 1 1 11 11 THR HG21 H 1 1.333 0.014 . 1 . 1227 . . 11 THR HG21 . 19971 1 116 . 1 1 11 11 THR HG22 H 1 1.333 0.014 . 1 . 1227 . . 11 THR HG22 . 19971 1 117 . 1 1 11 11 THR HG23 H 1 1.333 0.014 . 1 . 1227 . . 11 THR HG23 . 19971 1 118 . 1 1 11 11 THR CA C 13 60.727 0.03 . 1 . 542 . . 11 THR CA . 19971 1 119 . 1 1 11 11 THR CB C 13 70.662 0.038 . 1 . 543 . . 11 THR CB . 19971 1 120 . 1 1 11 11 THR CG2 C 13 20.652 0.043 . 1 . 1300 . . 11 THR CG2 . 19971 1 121 . 1 1 11 11 THR N N 15 119.478 0.077 . 1 . 229 . . 11 THR N . 19971 1 122 . 1 1 12 12 PRO HA H 1 4.360 0.018 . 1 . 626 . . 12 PRO HA . 19971 1 123 . 1 1 12 12 PRO HB2 H 1 2.375 0.01 . 2 . 627 . . 12 PRO HB2 . 19971 1 124 . 1 1 12 12 PRO HB3 H 1 1.903 0.005 . 2 . 628 . . 12 PRO HB3 . 19971 1 125 . 1 1 12 12 PRO HG2 H 1 2.141 0.007 . 2 . 1301 . . 12 PRO HG2 . 19971 1 126 . 1 1 12 12 PRO HG3 H 1 2.011 0.002 . 2 . 1302 . . 12 PRO HG3 . 19971 1 127 . 1 1 12 12 PRO HD2 H 1 4.056 0.009 . 2 . 1304 . . 12 PRO HD2 . 19971 1 128 . 1 1 12 12 PRO HD3 H 1 3.812 0.005 . 2 . 1306 . . 12 PRO HD3 . 19971 1 129 . 1 1 12 12 PRO C C 13 177.008 0.0 . 1 . 1096 . . 12 PRO C . 19971 1 130 . 1 1 12 12 PRO CA C 13 63.935 0.067 . 1 . 545 . . 12 PRO CA . 19971 1 131 . 1 1 12 12 PRO CB C 13 32.159 0.035 . 1 . 544 . . 12 PRO CB . 19971 1 132 . 1 1 12 12 PRO CG C 13 27.649 0.121 . 1 . 1303 . . 12 PRO CG . 19971 1 133 . 1 1 12 12 PRO CD C 13 51.306 0.042 . 1 . 1305 . . 12 PRO CD . 19971 1 134 . 1 1 13 13 GLY H H 1 8.829 0.02 . 1 . 61 . . 13 GLY H . 19971 1 135 . 1 1 13 13 GLY HA2 H 1 4.078 0.008 . 2 . 857 . . 13 GLY HA2 . 19971 1 136 . 1 1 13 13 GLY HA3 H 1 3.704 0.007 . 2 . 858 . . 13 GLY HA3 . 19971 1 137 . 1 1 13 13 GLY C C 13 173.275 0.0 . 1 . 1097 . . 13 GLY C . 19971 1 138 . 1 1 13 13 GLY CA C 13 45.117 0.035 . 1 . 414 . . 13 GLY CA . 19971 1 139 . 1 1 13 13 GLY N N 15 108.543 0.028 . 1 . 62 . . 13 GLY N . 19971 1 140 . 1 1 14 14 PHE H H 1 7.548 0.007 . 1 . 136 . . 14 PHE H . 19971 1 141 . 1 1 14 14 PHE HA H 1 5.691 0.008 . 1 . 1307 . . 14 PHE HA . 19971 1 142 . 1 1 14 14 PHE HB2 H 1 3.559 0.013 . 2 . 1308 . . 14 PHE HB2 . 19971 1 143 . 1 1 14 14 PHE HB3 H 1 3.703 0.017 . 2 . 1309 . . 14 PHE HB3 . 19971 1 144 . 1 1 14 14 PHE C C 13 175.867 0.0 . 1 . 1098 . . 14 PHE C . 19971 1 145 . 1 1 14 14 PHE CA C 13 56.713 0.069 . 1 . 485 . . 14 PHE CA . 19971 1 146 . 1 1 14 14 PHE CB C 13 38.888 0.052 . 1 . 486 . . 14 PHE CB . 19971 1 147 . 1 1 14 14 PHE N N 15 117.688 0.194 . 1 . 137 . . 14 PHE N . 19971 1 148 . 1 1 15 15 SER H H 1 8.463 0.004 . 1 . 13 . . 15 SER H . 19971 1 149 . 1 1 15 15 SER HA H 1 4.794 0.01 . 1 . 1312 . . 15 SER HA . 19971 1 150 . 1 1 15 15 SER HB2 H 1 3.926 0.008 . 2 . 836 . . 15 SER HB2 . 19971 1 151 . 1 1 15 15 SER HB3 H 1 4.071 0.015 . 2 . 1311 . . 15 SER HB3 . 19971 1 152 . 1 1 15 15 SER C C 13 177.774 0.0 . 1 . 1099 . . 15 SER C . 19971 1 153 . 1 1 15 15 SER CA C 13 63.012 0.051 . 1 . 409 . . 15 SER CA . 19971 1 154 . 1 1 15 15 SER CB C 13 63.078 0.005 . 1 . 1310 . . 15 SER CB . 19971 1 155 . 1 1 15 15 SER N N 15 118.567 0.045 . 1 . 14 . . 15 SER N . 19971 1 156 . 1 1 16 16 THR H H 1 10.558 0.007 . 1 . 114 . . 16 THR H . 19971 1 157 . 1 1 16 16 THR HA H 1 3.693 0.007 . 1 . 1315 . . 16 THR HA . 19971 1 158 . 1 1 16 16 THR HB H 1 3.599 0.015 . 1 . 1314 . . 16 THR HB . 19971 1 159 . 1 1 16 16 THR HG21 H 1 0.160 0.012 . 1 . 1316 . . 16 THR HG21 . 19971 1 160 . 1 1 16 16 THR HG22 H 1 0.160 0.012 . 1 . 1316 . . 16 THR HG22 . 19971 1 161 . 1 1 16 16 THR HG23 H 1 0.160 0.012 . 1 . 1316 . . 16 THR HG23 . 19971 1 162 . 1 1 16 16 THR CA C 13 66.846 0.073 . 1 . 546 . . 16 THR CA . 19971 1 163 . 1 1 16 16 THR CB C 13 66.826 0.096 . 1 . 1313 . . 16 THR CB . 19971 1 164 . 1 1 16 16 THR N N 15 124.858 0.059 . 1 . 115 . . 16 THR N . 19971 1 165 . 1 1 17 17 LEU C C 13 177.788 0.0 . 1 . 1100 . . 17 LEU C . 19971 1 166 . 1 1 17 17 LEU CA C 13 58.385 0.018 . 1 . 548 . . 17 LEU CA . 19971 1 167 . 1 1 17 17 LEU CB C 13 41.639 0.034 . 1 . 547 . . 17 LEU CB . 19971 1 168 . 1 1 18 18 VAL H H 1 8.385 0.008 . 1 . 180 . . 18 VAL H . 19971 1 169 . 1 1 18 18 VAL HA H 1 3.281 0.014 . 1 . 630 . . 18 VAL HA . 19971 1 170 . 1 1 18 18 VAL HB H 1 2.123 0.018 . 1 . 629 . . 18 VAL HB . 19971 1 171 . 1 1 18 18 VAL HG11 H 1 0.939 0.013 . 2 . 960 . . 18 VAL HG11 . 19971 1 172 . 1 1 18 18 VAL HG12 H 1 0.939 0.013 . 2 . 960 . . 18 VAL HG12 . 19971 1 173 . 1 1 18 18 VAL HG13 H 1 0.939 0.013 . 2 . 960 . . 18 VAL HG13 . 19971 1 174 . 1 1 18 18 VAL HG21 H 1 0.852 0.016 . 2 . 961 . . 18 VAL HG21 . 19971 1 175 . 1 1 18 18 VAL HG22 H 1 0.852 0.016 . 2 . 961 . . 18 VAL HG22 . 19971 1 176 . 1 1 18 18 VAL HG23 H 1 0.852 0.016 . 2 . 961 . . 18 VAL HG23 . 19971 1 177 . 1 1 18 18 VAL C C 13 177.554 0.0 . 1 . 1101 . . 18 VAL C . 19971 1 178 . 1 1 18 18 VAL CA C 13 67.725 0.042 . 1 . 299 . . 18 VAL CA . 19971 1 179 . 1 1 18 18 VAL CB C 13 31.376 0.022 . 1 . 300 . . 18 VAL CB . 19971 1 180 . 1 1 18 18 VAL CG1 C 13 24.563 0.039 . 2 . 963 . . 18 VAL CG1 . 19971 1 181 . 1 1 18 18 VAL CG2 C 13 21.542 0.204 . 2 . 962 . . 18 VAL CG2 . 19971 1 182 . 1 1 18 18 VAL N N 15 117.053 0.137 . 1 . 181 . . 18 VAL N . 19971 1 183 . 1 1 19 19 THR H H 1 7.748 0.003 . 1 . 132 . . 19 THR H . 19971 1 184 . 1 1 19 19 THR HA H 1 3.732 0.014 . 1 . 631 . . 19 THR HA . 19971 1 185 . 1 1 19 19 THR HB H 1 4.248 0.01 . 1 . 632 . . 19 THR HB . 19971 1 186 . 1 1 19 19 THR HG21 H 1 1.085 0.013 . 1 . 906 . . 19 THR HG21 . 19971 1 187 . 1 1 19 19 THR HG22 H 1 1.085 0.013 . 1 . 906 . . 19 THR HG22 . 19971 1 188 . 1 1 19 19 THR HG23 H 1 1.085 0.013 . 1 . 906 . . 19 THR HG23 . 19971 1 189 . 1 1 19 19 THR C C 13 175.673 0.0 . 1 . 1102 . . 19 THR C . 19971 1 190 . 1 1 19 19 THR CA C 13 67.132 0.037 . 1 . 298 . . 19 THR CA . 19971 1 191 . 1 1 19 19 THR CB C 13 68.632 0.027 . 1 . 297 . . 19 THR CB . 19971 1 192 . 1 1 19 19 THR CG2 C 13 21.230 0.056 . 1 . 870 . . 19 THR CG2 . 19971 1 193 . 1 1 19 19 THR N N 15 117.047 0.083 . 1 . 133 . . 19 THR N . 19971 1 194 . 1 1 20 20 ALA H H 1 8.581 0.003 . 1 . 196 . . 20 ALA H . 19971 1 195 . 1 1 20 20 ALA HA H 1 3.796 0.029 . 1 . 633 . . 20 ALA HA . 19971 1 196 . 1 1 20 20 ALA HB1 H 1 1.343 0.008 . 1 . 634 . . 20 ALA HB1 . 19971 1 197 . 1 1 20 20 ALA HB2 H 1 1.343 0.008 . 1 . 634 . . 20 ALA HB2 . 19971 1 198 . 1 1 20 20 ALA HB3 H 1 1.343 0.008 . 1 . 634 . . 20 ALA HB3 . 19971 1 199 . 1 1 20 20 ALA C C 13 178.207 0.0 . 1 . 1103 . . 20 ALA C . 19971 1 200 . 1 1 20 20 ALA CA C 13 55.331 0.022 . 1 . 296 . . 20 ALA CA . 19971 1 201 . 1 1 20 20 ALA CB C 13 18.071 0.036 . 1 . 295 . . 20 ALA CB . 19971 1 202 . 1 1 20 20 ALA N N 15 122.751 0.032 . 1 . 197 . . 20 ALA N . 19971 1 203 . 1 1 21 21 VAL H H 1 8.737 0.018 . 1 . 23 . . 21 VAL H . 19971 1 204 . 1 1 21 21 VAL HA H 1 3.356 0.016 . 1 . 1228 . . 21 VAL HA . 19971 1 205 . 1 1 21 21 VAL HB H 1 2.071 0.011 . 1 . 1229 . . 21 VAL HB . 19971 1 206 . 1 1 21 21 VAL HG11 H 1 0.893 0.007 . 2 . 1230 . . 21 VAL HG11 . 19971 1 207 . 1 1 21 21 VAL HG12 H 1 0.893 0.007 . 2 . 1230 . . 21 VAL HG12 . 19971 1 208 . 1 1 21 21 VAL HG13 H 1 0.893 0.007 . 2 . 1230 . . 21 VAL HG13 . 19971 1 209 . 1 1 21 21 VAL HG21 H 1 0.712 0.009 . 2 . 1231 . . 21 VAL HG21 . 19971 1 210 . 1 1 21 21 VAL HG22 H 1 0.712 0.009 . 2 . 1231 . . 21 VAL HG22 . 19971 1 211 . 1 1 21 21 VAL HG23 H 1 0.712 0.009 . 2 . 1231 . . 21 VAL HG23 . 19971 1 212 . 1 1 21 21 VAL C C 13 177.637 0.0 . 1 . 1104 . . 21 VAL C . 19971 1 213 . 1 1 21 21 VAL CA C 13 66.330 0.098 . 1 . 294 . . 21 VAL CA . 19971 1 214 . 1 1 21 21 VAL CB C 13 31.718 0.155 . 1 . 293 . . 21 VAL CB . 19971 1 215 . 1 1 21 21 VAL CG1 C 13 22.856 0.07 . 2 . 1233 . . 21 VAL CG1 . 19971 1 216 . 1 1 21 21 VAL CG2 C 13 21.809 0.058 . 2 . 1232 . . 21 VAL CG2 . 19971 1 217 . 1 1 21 21 VAL N N 15 116.529 0.051 . 1 . 24 . . 21 VAL N . 19971 1 218 . 1 1 22 22 LYS H H 1 7.765 0.009 . 1 . 69 . . 22 LYS H . 19971 1 219 . 1 1 22 22 LYS HA H 1 4.054 0.009 . 1 . 635 . . 22 LYS HA . 19971 1 220 . 1 1 22 22 LYS HB2 H 1 1.991 0.008 . 2 . 1317 . . 22 LYS HB2 . 19971 1 221 . 1 1 22 22 LYS HB3 H 1 1.927 0.012 . 2 . 1318 . . 22 LYS HB3 . 19971 1 222 . 1 1 22 22 LYS HG2 H 1 1.292 0.009 . 2 . 1322 . . 22 LYS HG2 . 19971 1 223 . 1 1 22 22 LYS HG3 H 1 1.596 0.01 . 2 . 1327 . . 22 LYS HG3 . 19971 1 224 . 1 1 22 22 LYS HD2 H 1 1.608 0.009 . 2 . 1319 . . 22 LYS HD2 . 19971 1 225 . 1 1 22 22 LYS HD3 H 1 1.609 0.01 . 2 . 1321 . . 22 LYS HD3 . 19971 1 226 . 1 1 22 22 LYS HE2 H 1 2.861 0.002 . 2 . 1324 . . 22 LYS HE2 . 19971 1 227 . 1 1 22 22 LYS HE3 H 1 2.780 0.008 . 2 . 1325 . . 22 LYS HE3 . 19971 1 228 . 1 1 22 22 LYS C C 13 180.772 0.0 . 1 . 1105 . . 22 LYS C . 19971 1 229 . 1 1 22 22 LYS CA C 13 60.116 0.082 . 1 . 292 . . 22 LYS CA . 19971 1 230 . 1 1 22 22 LYS CB C 13 32.274 0.073 . 1 . 291 . . 22 LYS CB . 19971 1 231 . 1 1 22 22 LYS CG C 13 25.836 0.061 . 1 . 1320 . . 22 LYS CG . 19971 1 232 . 1 1 22 22 LYS CD C 13 29.767 0.049 . 1 . 1323 . . 22 LYS CD . 19971 1 233 . 1 1 22 22 LYS CE C 13 41.864 0.058 . 1 . 1326 . . 22 LYS CE . 19971 1 234 . 1 1 22 22 LYS N N 15 119.960 0.297 . 1 . 70 . . 22 LYS N . 19971 1 235 . 1 1 23 23 VAL H H 1 8.517 0.007 . 1 . 21 . . 23 VAL H . 19971 1 236 . 1 1 23 23 VAL HA H 1 3.663 0.011 . 1 . 609 . . 23 VAL HA . 19971 1 237 . 1 1 23 23 VAL HB H 1 2.047 0.013 . 1 . 608 . . 23 VAL HB . 19971 1 238 . 1 1 23 23 VAL HG11 H 1 1.082 0.013 . 2 . 907 . . 23 VAL HG11 . 19971 1 239 . 1 1 23 23 VAL HG12 H 1 1.082 0.013 . 2 . 907 . . 23 VAL HG12 . 19971 1 240 . 1 1 23 23 VAL HG13 H 1 1.082 0.013 . 2 . 907 . . 23 VAL HG13 . 19971 1 241 . 1 1 23 23 VAL HG21 H 1 1.018 0.017 . 2 . 908 . . 23 VAL HG21 . 19971 1 242 . 1 1 23 23 VAL HG22 H 1 1.018 0.017 . 2 . 908 . . 23 VAL HG22 . 19971 1 243 . 1 1 23 23 VAL HG23 H 1 1.018 0.017 . 2 . 908 . . 23 VAL HG23 . 19971 1 244 . 1 1 23 23 VAL C C 13 177.177 0.0 . 1 . 1106 . . 23 VAL C . 19971 1 245 . 1 1 23 23 VAL CA C 13 66.129 0.048 . 1 . 290 . . 23 VAL CA . 19971 1 246 . 1 1 23 23 VAL CB C 13 31.590 0.11 . 1 . 289 . . 23 VAL CB . 19971 1 247 . 1 1 23 23 VAL CG1 C 13 22.921 0.066 . 2 . 964 . . 23 VAL CG1 . 19971 1 248 . 1 1 23 23 VAL CG2 C 13 22.111 0.03 . 2 . 965 . . 23 VAL CG2 . 19971 1 249 . 1 1 23 23 VAL N N 15 122.478 0.044 . 1 . 22 . . 23 VAL N . 19971 1 250 . 1 1 24 24 ALA H H 1 8.172 0.006 . 1 . 7 . . 24 ALA H . 19971 1 251 . 1 1 24 24 ALA HA H 1 4.171 0.017 . 1 . 636 . . 24 ALA HA . 19971 1 252 . 1 1 24 24 ALA HB1 H 1 1.280 0.011 . 1 . 637 . . 24 ALA HB1 . 19971 1 253 . 1 1 24 24 ALA HB2 H 1 1.280 0.011 . 1 . 637 . . 24 ALA HB2 . 19971 1 254 . 1 1 24 24 ALA HB3 H 1 1.280 0.011 . 1 . 637 . . 24 ALA HB3 . 19971 1 255 . 1 1 24 24 ALA C C 13 175.555 0.0 . 1 . 1107 . . 24 ALA C . 19971 1 256 . 1 1 24 24 ALA CA C 13 51.892 0.047 . 1 . 288 . . 24 ALA CA . 19971 1 257 . 1 1 24 24 ALA CB C 13 19.164 0.128 . 1 . 287 . . 24 ALA CB . 19971 1 258 . 1 1 24 24 ALA N N 15 117.344 0.159 . 1 . 8 . . 24 ALA N . 19971 1 259 . 1 1 25 25 ASN H H 1 7.901 0.014 . 1 . 210 . . 25 ASN H . 19971 1 260 . 1 1 25 25 ASN HA H 1 4.633 0.007 . 1 . 1234 . . 25 ASN HA . 19971 1 261 . 1 1 25 25 ASN HB2 H 1 3.230 0.01 . 2 . 1235 . . 25 ASN HB2 . 19971 1 262 . 1 1 25 25 ASN HB3 H 1 2.762 0.01 . 2 . 1236 . . 25 ASN HB3 . 19971 1 263 . 1 1 25 25 ASN HD21 H 1 6.845 0.005 . 1 . 1514 . . 25 ASN HD21 . 19971 1 264 . 1 1 25 25 ASN HD22 H 1 7.503 0.015 . 1 . 1516 . . 25 ASN HD22 . 19971 1 265 . 1 1 25 25 ASN C C 13 179.371 0.0 . 1 . 1108 . . 25 ASN C . 19971 1 266 . 1 1 25 25 ASN CA C 13 54.223 0.079 . 1 . 522 . . 25 ASN CA . 19971 1 267 . 1 1 25 25 ASN CB C 13 36.851 0.05 . 1 . 286 . . 25 ASN CB . 19971 1 268 . 1 1 25 25 ASN CG C 13 178.372 0.022 . 1 . 1542 . . 25 ASN CG . 19971 1 269 . 1 1 25 25 ASN N N 15 114.378 0.073 . 1 . 211 . . 25 ASN N . 19971 1 270 . 1 1 25 25 ASN ND2 N 15 112.392 0.091 . 1 . 1515 . . 25 ASN ND2 . 19971 1 271 . 1 1 26 26 LEU H H 1 8.375 0.012 . 1 . 495 . . 26 LEU H . 19971 1 272 . 1 1 26 26 LEU HA H 1 4.659 0.02 . 1 . 638 . . 26 LEU HA . 19971 1 273 . 1 1 26 26 LEU HB2 H 1 1.349 0.102 . 2 . 639 . . 26 LEU HB2 . 19971 1 274 . 1 1 26 26 LEU HB3 H 1 1.658 0.123 . 2 . 1237 . . 26 LEU HB3 . 19971 1 275 . 1 1 26 26 LEU HG H 1 1.592 0.017 . 1 . 1238 . . 26 LEU HG . 19971 1 276 . 1 1 26 26 LEU HD11 H 1 0.801 0.009 . 2 . 1239 . . 26 LEU HD11 . 19971 1 277 . 1 1 26 26 LEU HD12 H 1 0.801 0.009 . 2 . 1239 . . 26 LEU HD12 . 19971 1 278 . 1 1 26 26 LEU HD13 H 1 0.801 0.009 . 2 . 1239 . . 26 LEU HD13 . 19971 1 279 . 1 1 26 26 LEU HD21 H 1 0.767 0.019 . 2 . 1240 . . 26 LEU HD21 . 19971 1 280 . 1 1 26 26 LEU HD22 H 1 0.767 0.019 . 2 . 1240 . . 26 LEU HD22 . 19971 1 281 . 1 1 26 26 LEU HD23 H 1 0.767 0.019 . 2 . 1240 . . 26 LEU HD23 . 19971 1 282 . 1 1 26 26 LEU C C 13 175.928 0.0 . 1 . 1109 . . 26 LEU C . 19971 1 283 . 1 1 26 26 LEU CA C 13 54.172 0.042 . 1 . 523 . . 26 LEU CA . 19971 1 284 . 1 1 26 26 LEU CB C 13 44.539 0.052 . 1 . 524 . . 26 LEU CB . 19971 1 285 . 1 1 26 26 LEU CG C 13 26.527 0.216 . 1 . 1329 . . 26 LEU CG . 19971 1 286 . 1 1 26 26 LEU CD1 C 13 26.366 0.105 . 2 . 1241 . . 26 LEU CD1 . 19971 1 287 . 1 1 26 26 LEU CD2 C 13 23.260 0.105 . 2 . 1242 . . 26 LEU CD2 . 19971 1 288 . 1 1 26 26 LEU N N 15 116.936 0.161 . 1 . 496 . . 26 LEU N . 19971 1 289 . 1 1 27 27 VAL H H 1 7.516 0.009 . 1 . 276 . . 27 VAL H . 19971 1 290 . 1 1 27 27 VAL HA H 1 3.057 0.011 . 1 . 640 . . 27 VAL HA . 19971 1 291 . 1 1 27 27 VAL HB H 1 1.947 0.006 . 1 . 641 . . 27 VAL HB . 19971 1 292 . 1 1 27 27 VAL HG11 H 1 0.791 0.009 . 2 . 909 . . 27 VAL HG11 . 19971 1 293 . 1 1 27 27 VAL HG12 H 1 0.791 0.009 . 2 . 909 . . 27 VAL HG12 . 19971 1 294 . 1 1 27 27 VAL HG13 H 1 0.791 0.009 . 2 . 909 . . 27 VAL HG13 . 19971 1 295 . 1 1 27 27 VAL HG21 H 1 0.894 0.006 . 2 . 966 . . 27 VAL HG21 . 19971 1 296 . 1 1 27 27 VAL HG22 H 1 0.894 0.006 . 2 . 966 . . 27 VAL HG22 . 19971 1 297 . 1 1 27 27 VAL HG23 H 1 0.894 0.006 . 2 . 966 . . 27 VAL HG23 . 19971 1 298 . 1 1 27 27 VAL C C 13 176.745 0.0 . 1 . 1110 . . 27 VAL C . 19971 1 299 . 1 1 27 27 VAL CA C 13 67.197 0.054 . 1 . 422 . . 27 VAL CA . 19971 1 300 . 1 1 27 27 VAL CB C 13 31.660 0.048 . 1 . 423 . . 27 VAL CB . 19971 1 301 . 1 1 27 27 VAL CG1 C 13 21.131 0.048 . 2 . 968 . . 27 VAL CG1 . 19971 1 302 . 1 1 27 27 VAL CG2 C 13 23.554 0.079 . 2 . 967 . . 27 VAL CG2 . 19971 1 303 . 1 1 27 27 VAL N N 15 121.048 0.116 . 1 . 277 . . 27 VAL N . 19971 1 304 . 1 1 28 28 GLU H H 1 8.158 0.006 . 1 . 157 . . 28 GLU H . 19971 1 305 . 1 1 28 28 GLU HA H 1 3.896 0.012 . 1 . 1243 . . 28 GLU HA . 19971 1 306 . 1 1 28 28 GLU HB2 H 1 1.961 0.017 . 2 . 1247 . . 28 GLU HB2 . 19971 1 307 . 1 1 28 28 GLU HB3 H 1 1.996 0.002 . 2 . 1330 . . 28 GLU HB3 . 19971 1 308 . 1 1 28 28 GLU HG2 H 1 2.250 0.009 . 2 . 1244 . . 28 GLU HG2 . 19971 1 309 . 1 1 28 28 GLU HG3 H 1 2.247 0.013 . 2 . 1245 . . 28 GLU HG3 . 19971 1 310 . 1 1 28 28 GLU C C 13 180.475 0.0 . 1 . 1111 . . 28 GLU C . 19971 1 311 . 1 1 28 28 GLU CA C 13 60.030 0.09 . 1 . 494 . . 28 GLU CA . 19971 1 312 . 1 1 28 28 GLU CB C 13 28.405 0.042 . 1 . 493 . . 28 GLU CB . 19971 1 313 . 1 1 28 28 GLU CG C 13 36.858 0.092 . 1 . 1246 . . 28 GLU CG . 19971 1 314 . 1 1 28 28 GLU N N 15 116.679 0.084 . 1 . 158 . . 28 GLU N . 19971 1 315 . 1 1 29 29 ALA H H 1 8.065 0.023 . 1 . 491 . . 29 ALA H . 19971 1 316 . 1 1 29 29 ALA HA H 1 4.049 0.014 . 1 . 643 . . 29 ALA HA . 19971 1 317 . 1 1 29 29 ALA HB1 H 1 1.240 0.013 . 1 . 642 . . 29 ALA HB1 . 19971 1 318 . 1 1 29 29 ALA HB2 H 1 1.240 0.013 . 1 . 642 . . 29 ALA HB2 . 19971 1 319 . 1 1 29 29 ALA HB3 H 1 1.240 0.013 . 1 . 642 . . 29 ALA HB3 . 19971 1 320 . 1 1 29 29 ALA C C 13 180.523 0.0 . 1 . 1112 . . 29 ALA C . 19971 1 321 . 1 1 29 29 ALA CA C 13 55.354 0.078 . 1 . 525 . . 29 ALA CA . 19971 1 322 . 1 1 29 29 ALA CB C 13 17.348 0.038 . 1 . 526 . . 29 ALA CB . 19971 1 323 . 1 1 29 29 ALA N N 15 121.730 0.062 . 1 . 492 . . 29 ALA N . 19971 1 324 . 1 1 30 30 LEU H H 1 7.442 0.009 . 1 . 57 . . 30 LEU H . 19971 1 325 . 1 1 30 30 LEU HA H 1 3.957 0.014 . 1 . 1248 . . 30 LEU HA . 19971 1 326 . 1 1 30 30 LEU HB2 H 1 1.454 0.071 . 2 . 1249 . . 30 LEU HB2 . 19971 1 327 . 1 1 30 30 LEU HB3 H 1 1.298 0.011 . 2 . 1250 . . 30 LEU HB3 . 19971 1 328 . 1 1 30 30 LEU HG H 1 1.499 0.012 . 1 . 1331 . . 30 LEU HG . 19971 1 329 . 1 1 30 30 LEU HD11 H 1 0.542 0.01 . 2 . 1251 . . 30 LEU HD11 . 19971 1 330 . 1 1 30 30 LEU HD12 H 1 0.542 0.01 . 2 . 1251 . . 30 LEU HD12 . 19971 1 331 . 1 1 30 30 LEU HD13 H 1 0.542 0.01 . 2 . 1251 . . 30 LEU HD13 . 19971 1 332 . 1 1 30 30 LEU HD21 H 1 0.171 0.013 . 2 . 1252 . . 30 LEU HD21 . 19971 1 333 . 1 1 30 30 LEU HD22 H 1 0.171 0.013 . 2 . 1252 . . 30 LEU HD22 . 19971 1 334 . 1 1 30 30 LEU HD23 H 1 0.171 0.013 . 2 . 1252 . . 30 LEU HD23 . 19971 1 335 . 1 1 30 30 LEU C C 13 176.275 0.0 . 1 . 1113 . . 30 LEU C . 19971 1 336 . 1 1 30 30 LEU CA C 13 55.920 0.037 . 1 . 549 . . 30 LEU CA . 19971 1 337 . 1 1 30 30 LEU CB C 13 41.266 0.041 . 1 . 527 . . 30 LEU CB . 19971 1 338 . 1 1 30 30 LEU CG C 13 26.820 0.088 . 1 . 1332 . . 30 LEU CG . 19971 1 339 . 1 1 30 30 LEU CD1 C 13 25.036 0.086 . 2 . 1253 . . 30 LEU CD1 . 19971 1 340 . 1 1 30 30 LEU CD2 C 13 21.191 0.055 . 2 . 1254 . . 30 LEU CD2 . 19971 1 341 . 1 1 30 30 LEU N N 15 114.637 0.036 . 1 . 58 . . 30 LEU N . 19971 1 342 . 1 1 31 31 GLN H H 1 7.569 0.013 . 1 . 222 . . 31 GLN H . 19971 1 343 . 1 1 31 31 GLN HA H 1 4.551 0.011 . 1 . 644 . . 31 GLN HA . 19971 1 344 . 1 1 31 31 GLN HB2 H 1 2.123 0.008 . 2 . 972 . . 31 GLN HB2 . 19971 1 345 . 1 1 31 31 GLN HB3 H 1 2.123 0.008 . 2 . 971 . . 31 GLN HB3 . 19971 1 346 . 1 1 31 31 GLN HG2 H 1 2.522 0.007 . 2 . 969 . . 31 GLN HG2 . 19971 1 347 . 1 1 31 31 GLN HG3 H 1 2.381 0.062 . 2 . 970 . . 31 GLN HG3 . 19971 1 348 . 1 1 31 31 GLN HE21 H 1 7.185 0.003 . 1 . 79 . . 31 GLN HE21 . 19971 1 349 . 1 1 31 31 GLN HE22 H 1 6.760 0.003 . 1 . 161 . . 31 GLN HE22 . 19971 1 350 . 1 1 31 31 GLN C C 13 175.633 0.0 . 1 . 1114 . . 31 GLN C . 19971 1 351 . 1 1 31 31 GLN CA C 13 55.507 0.054 . 1 . 450 . . 31 GLN CA . 19971 1 352 . 1 1 31 31 GLN CB C 13 29.652 0.039 . 1 . 451 . . 31 GLN CB . 19971 1 353 . 1 1 31 31 GLN CG C 13 33.610 0.081 . 1 . 871 . . 31 GLN CG . 19971 1 354 . 1 1 31 31 GLN CD C 13 180.597 0.002 . 1 . 1541 . . 31 GLN CD . 19971 1 355 . 1 1 31 31 GLN N N 15 116.694 0.038 . 1 . 223 . . 31 GLN N . 19971 1 356 . 1 1 31 31 GLN NE2 N 15 111.416 0.062 . 1 . 162 . . 31 GLN NE2 . 19971 1 357 . 1 1 32 32 SER H H 1 7.635 0.006 . 1 . 280 . . 32 SER H . 19971 1 358 . 1 1 32 32 SER N N 15 119.234 0.122 . 1 . 281 . . 32 SER N . 19971 1 359 . 1 1 33 33 PRO HA H 1 4.180 0.014 . 1 . 645 . . 33 PRO HA . 19971 1 360 . 1 1 33 33 PRO HB2 H 1 2.319 0.007 . 2 . 646 . . 33 PRO HB2 . 19971 1 361 . 1 1 33 33 PRO HB3 H 1 1.801 0.01 . 2 . 647 . . 33 PRO HB3 . 19971 1 362 . 1 1 33 33 PRO HG2 H 1 2.138 0.002 . 2 . 1333 . . 33 PRO HG2 . 19971 1 363 . 1 1 33 33 PRO HG3 H 1 2.007 0.013 . 2 . 1334 . . 33 PRO HG3 . 19971 1 364 . 1 1 33 33 PRO HD2 H 1 3.758 0.003 . 2 . 1612 . . 33 PRO HD2 . 19971 1 365 . 1 1 33 33 PRO HD3 H 1 3.758 0.003 . 2 . 1614 . . 33 PRO HD3 . 19971 1 366 . 1 1 33 33 PRO C C 13 177.676 0.0 . 1 . 1115 . . 33 PRO C . 19971 1 367 . 1 1 33 33 PRO CA C 13 65.923 0.076 . 1 . 597 . . 33 PRO CA . 19971 1 368 . 1 1 33 33 PRO CB C 13 32.062 0.068 . 1 . 598 . . 33 PRO CB . 19971 1 369 . 1 1 33 33 PRO CG C 13 28.049 0.003 . 1 . 1335 . . 33 PRO CG . 19971 1 370 . 1 1 33 33 PRO CD C 13 50.194 0.011 . 1 . 1613 . . 33 PRO CD . 19971 1 371 . 1 1 34 34 GLY H H 1 8.007 0.014 . 1 . 86 . . 34 GLY H . 19971 1 372 . 1 1 34 34 GLY HA2 H 1 2.440 0.006 . 2 . 1066 . . 34 GLY HA2 . 19971 1 373 . 1 1 34 34 GLY HA3 H 1 2.787 0.015 . 2 . 1067 . . 34 GLY HA3 . 19971 1 374 . 1 1 34 34 GLY CA C 13 44.668 0.033 . 1 . 550 . . 34 GLY CA . 19971 1 375 . 1 1 34 34 GLY N N 15 103.970 0.03 . 1 . 87 . . 34 GLY N . 19971 1 376 . 1 1 35 35 PRO HA H 1 5.036 0.012 . 1 . 648 . . 35 PRO HA . 19971 1 377 . 1 1 35 35 PRO HB2 H 1 1.980 0.261 . 2 . 1336 . . 35 PRO HB2 . 19971 1 378 . 1 1 35 35 PRO HB3 H 1 1.672 0.189 . 2 . 1337 . . 35 PRO HB3 . 19971 1 379 . 1 1 35 35 PRO HG2 H 1 1.802 0.012 . 2 . 1338 . . 35 PRO HG2 . 19971 1 380 . 1 1 35 35 PRO HG3 H 1 1.373 0.009 . 2 . 1339 . . 35 PRO HG3 . 19971 1 381 . 1 1 35 35 PRO HD2 H 1 3.271 0.022 . 2 . 1341 . . 35 PRO HD2 . 19971 1 382 . 1 1 35 35 PRO HD3 H 1 3.330 0.007 . 2 . 1343 . . 35 PRO HD3 . 19971 1 383 . 1 1 35 35 PRO C C 13 176.660 0.0 . 1 . 1116 . . 35 PRO C . 19971 1 384 . 1 1 35 35 PRO CA C 13 63.589 0.061 . 1 . 551 . . 35 PRO CA . 19971 1 385 . 1 1 35 35 PRO CB C 13 35.661 0.069 . 1 . 552 . . 35 PRO CB . 19971 1 386 . 1 1 35 35 PRO CG C 13 25.231 0.093 . 1 . 1340 . . 35 PRO CG . 19971 1 387 . 1 1 35 35 PRO CD C 13 49.719 0.026 . 1 . 1342 . . 35 PRO CD . 19971 1 388 . 1 1 36 36 PHE H H 1 8.473 0.01 . 1 . 27 . . 36 PHE H . 19971 1 389 . 1 1 36 36 PHE HA H 1 5.525 0.009 . 1 . 649 . . 36 PHE HA . 19971 1 390 . 1 1 36 36 PHE HB2 H 1 3.015 0.014 . 2 . 650 . . 36 PHE HB2 . 19971 1 391 . 1 1 36 36 PHE HB3 H 1 2.429 0.092 . 2 . 973 . . 36 PHE HB3 . 19971 1 392 . 1 1 36 36 PHE C C 13 175.089 0.0 . 1 . 1117 . . 36 PHE C . 19971 1 393 . 1 1 36 36 PHE CA C 13 56.814 0.062 . 1 . 432 . . 36 PHE CA . 19971 1 394 . 1 1 36 36 PHE CB C 13 43.467 0.174 . 1 . 433 . . 36 PHE CB . 19971 1 395 . 1 1 36 36 PHE N N 15 117.294 0.041 . 1 . 28 . . 36 PHE N . 19971 1 396 . 1 1 37 37 THR H H 1 9.582 0.005 . 1 . 189 . . 37 THR H . 19971 1 397 . 1 1 37 37 THR HA H 1 5.311 0.015 . 1 . 1084 . . 37 THR HA . 19971 1 398 . 1 1 37 37 THR HB H 1 3.925 0.012 . 1 . 1085 . . 37 THR HB . 19971 1 399 . 1 1 37 37 THR HG1 H 1 6.098 0.011 . 1 . 1615 . . 37 THR HG1 . 19971 1 400 . 1 1 37 37 THR HG21 H 1 1.026 0.013 . 1 . 1086 . . 37 THR HG21 . 19971 1 401 . 1 1 37 37 THR HG22 H 1 1.026 0.013 . 1 . 1086 . . 37 THR HG22 . 19971 1 402 . 1 1 37 37 THR HG23 H 1 1.026 0.013 . 1 . 1086 . . 37 THR HG23 . 19971 1 403 . 1 1 37 37 THR CA C 13 62.298 0.072 . 1 . 553 . . 37 THR CA . 19971 1 404 . 1 1 37 37 THR CB C 13 70.848 0.04 . 1 . 554 . . 37 THR CB . 19971 1 405 . 1 1 37 37 THR CG2 C 13 21.157 0.023 . 1 . 1087 . . 37 THR CG2 . 19971 1 406 . 1 1 37 37 THR N N 15 117.960 0.052 . 1 . 190 . . 37 THR N . 19971 1 407 . 1 1 38 38 VAL H H 1 8.921 0.006 . 1 . 153 . . 38 VAL H . 19971 1 408 . 1 1 38 38 VAL HA H 1 4.804 0.007 . 1 . 1560 . . 38 VAL HA . 19971 1 409 . 1 1 38 38 VAL HB H 1 1.830 0.009 . 1 . 1554 . . 38 VAL HB . 19971 1 410 . 1 1 38 38 VAL HG11 H 1 0.894 0.011 . 2 . 1555 . . 38 VAL HG11 . 19971 1 411 . 1 1 38 38 VAL HG12 H 1 0.894 0.011 . 2 . 1555 . . 38 VAL HG12 . 19971 1 412 . 1 1 38 38 VAL HG13 H 1 0.894 0.011 . 2 . 1555 . . 38 VAL HG13 . 19971 1 413 . 1 1 38 38 VAL HG21 H 1 0.752 0.013 . 2 . 1556 . . 38 VAL HG21 . 19971 1 414 . 1 1 38 38 VAL HG22 H 1 0.752 0.013 . 2 . 1556 . . 38 VAL HG22 . 19971 1 415 . 1 1 38 38 VAL HG23 H 1 0.752 0.013 . 2 . 1556 . . 38 VAL HG23 . 19971 1 416 . 1 1 38 38 VAL C C 13 173.555 0.0 . 1 . 1118 . . 38 VAL C . 19971 1 417 . 1 1 38 38 VAL CA C 13 59.939 0.0 . 1 . 1559 . . 38 VAL CA . 19971 1 418 . 1 1 38 38 VAL CB C 13 35.277 0.042 . 1 . 1553 . . 38 VAL CB . 19971 1 419 . 1 1 38 38 VAL CG1 C 13 22.751 0.049 . 2 . 1557 . . 38 VAL CG1 . 19971 1 420 . 1 1 38 38 VAL CG2 C 13 19.775 0.014 . 2 . 1558 . . 38 VAL CG2 . 19971 1 421 . 1 1 38 38 VAL N N 15 125.765 0.055 . 1 . 154 . . 38 VAL N . 19971 1 422 . 1 1 39 39 PHE H H 1 9.222 0.007 . 1 . 235 . . 39 PHE H . 19971 1 423 . 1 1 39 39 PHE HA H 1 5.494 0.018 . 1 . 651 . . 39 PHE HA . 19971 1 424 . 1 1 39 39 PHE HB2 H 1 3.249 0.008 . 2 . 974 . . 39 PHE HB2 . 19971 1 425 . 1 1 39 39 PHE HB3 H 1 3.060 0.013 . 2 . 975 . . 39 PHE HB3 . 19971 1 426 . 1 1 39 39 PHE HD1 H 1 7.087 0.011 . 3 . 1628 . . 39 PHE HD1 . 19971 1 427 . 1 1 39 39 PHE HD2 H 1 7.087 0.011 . 3 . 1628 . . 39 PHE HD2 . 19971 1 428 . 1 1 39 39 PHE HE1 H 1 6.885 0.012 . 3 . 1627 . . 39 PHE HE1 . 19971 1 429 . 1 1 39 39 PHE HE2 H 1 6.885 0.012 . 3 . 1627 . . 39 PHE HE2 . 19971 1 430 . 1 1 39 39 PHE C C 13 173.198 0.0 . 1 . 1119 . . 39 PHE C . 19971 1 431 . 1 1 39 39 PHE CA C 13 55.922 0.068 . 1 . 555 . . 39 PHE CA . 19971 1 432 . 1 1 39 39 PHE CB C 13 38.407 0.055 . 1 . 558 . . 39 PHE CB . 19971 1 433 . 1 1 39 39 PHE CD1 C 13 131.766 0.04 . 3 . 1629 . . 39 PHE CD1 . 19971 1 434 . 1 1 39 39 PHE CD2 C 13 131.766 0.04 . 3 . 1629 . . 39 PHE CD2 . 19971 1 435 . 1 1 39 39 PHE CE1 C 13 130.689 0.043 . 3 . 1626 . . 39 PHE CE1 . 19971 1 436 . 1 1 39 39 PHE CE2 C 13 130.689 0.043 . 3 . 1626 . . 39 PHE CE2 . 19971 1 437 . 1 1 39 39 PHE N N 15 128.378 0.082 . 1 . 236 . . 39 PHE N . 19971 1 438 . 1 1 40 40 ALA H H 1 8.838 0.015 . 1 . 94 . . 40 ALA H . 19971 1 439 . 1 1 40 40 ALA HA H 1 4.622 0.014 . 1 . 1088 . . 40 ALA HA . 19971 1 440 . 1 1 40 40 ALA HB1 H 1 1.041 0.013 . 1 . 1089 . . 40 ALA HB1 . 19971 1 441 . 1 1 40 40 ALA HB2 H 1 1.041 0.013 . 1 . 1089 . . 40 ALA HB2 . 19971 1 442 . 1 1 40 40 ALA HB3 H 1 1.041 0.013 . 1 . 1089 . . 40 ALA HB3 . 19971 1 443 . 1 1 40 40 ALA CA C 13 48.751 0.061 . 1 . 556 . . 40 ALA CA . 19971 1 444 . 1 1 40 40 ALA CB C 13 21.534 0.13 . 1 . 557 . . 40 ALA CB . 19971 1 445 . 1 1 40 40 ALA N N 15 125.409 0.068 . 1 . 95 . . 40 ALA N . 19971 1 446 . 1 1 41 41 PRO HA H 1 5.028 0.013 . 1 . 652 . . 41 PRO HA . 19971 1 447 . 1 1 41 41 PRO HB2 H 1 1.590 0.01 . 2 . 1328 . . 41 PRO HB2 . 19971 1 448 . 1 1 41 41 PRO HB3 H 1 1.569 0.01 . 2 . 1344 . . 41 PRO HB3 . 19971 1 449 . 1 1 41 41 PRO C C 13 177.321 0.0 . 1 . 1127 . . 41 PRO C . 19971 1 450 . 1 1 41 41 PRO CA C 13 60.934 0.094 . 1 . 560 . . 41 PRO CA . 19971 1 451 . 1 1 41 41 PRO CB C 13 30.801 0.022 . 1 . 559 . . 41 PRO CB . 19971 1 452 . 1 1 42 42 ASN H H 1 7.059 0.005 . 1 . 118 . . 42 ASN H . 19971 1 453 . 1 1 42 42 ASN HA H 1 4.730 0.019 . 1 . 1255 . . 42 ASN HA . 19971 1 454 . 1 1 42 42 ASN HB2 H 1 3.269 0.013 . 2 . 1345 . . 42 ASN HB2 . 19971 1 455 . 1 1 42 42 ASN HB3 H 1 2.488 0.011 . 2 . 1346 . . 42 ASN HB3 . 19971 1 456 . 1 1 42 42 ASN HD21 H 1 7.451 0.008 . 1 . 1510 . . 42 ASN HD21 . 19971 1 457 . 1 1 42 42 ASN HD22 H 1 6.838 0.004 . 1 . 193 . . 42 ASN HD22 . 19971 1 458 . 1 1 42 42 ASN C C 13 175.495 0.0 . 1 . 1120 . . 42 ASN C . 19971 1 459 . 1 1 42 42 ASN CA C 13 51.222 0.097 . 1 . 561 . . 42 ASN CA . 19971 1 460 . 1 1 42 42 ASN CB C 13 38.488 0.031 . 1 . 528 . . 42 ASN CB . 19971 1 461 . 1 1 42 42 ASN CG C 13 175.951 0.0 . 1 . 1548 . . 42 ASN CG . 19971 1 462 . 1 1 42 42 ASN N N 15 120.321 0.078 . 1 . 119 . . 42 ASN N . 19971 1 463 . 1 1 42 42 ASN ND2 N 15 109.235 0.065 . 1 . 237 . . 42 ASN ND2 . 19971 1 464 . 1 1 43 43 ASP H H 1 8.872 0.006 . 1 . 230 . . 43 ASP H . 19971 1 465 . 1 1 43 43 ASP HA H 1 4.638 0.019 . 1 . 653 . . 43 ASP HA . 19971 1 466 . 1 1 43 43 ASP HB2 H 1 2.656 0.011 . 2 . 1256 . . 43 ASP HB2 . 19971 1 467 . 1 1 43 43 ASP HB3 H 1 2.515 0.019 . 2 . 1257 . . 43 ASP HB3 . 19971 1 468 . 1 1 43 43 ASP C C 13 179.834 0.0 . 1 . 1121 . . 43 ASP C . 19971 1 469 . 1 1 43 43 ASP CA C 13 58.464 0.04 . 1 . 562 . . 43 ASP CA . 19971 1 470 . 1 1 43 43 ASP CB C 13 39.368 0.059 . 1 . 563 . . 43 ASP CB . 19971 1 471 . 1 1 43 43 ASP N N 15 120.687 0.086 . 1 . 231 . . 43 ASP N . 19971 1 472 . 1 1 44 44 ASP H H 1 8.025 0.009 . 1 . 47 . . 44 ASP H . 19971 1 473 . 1 1 44 44 ASP HA H 1 4.389 0.009 . 1 . 654 . . 44 ASP HA . 19971 1 474 . 1 1 44 44 ASP HB2 H 1 2.676 0.016 . 2 . 655 . . 44 ASP HB2 . 19971 1 475 . 1 1 44 44 ASP HB3 H 1 2.644 0.027 . 2 . 656 . . 44 ASP HB3 . 19971 1 476 . 1 1 44 44 ASP C C 13 177.810 0.0 . 1 . 1122 . . 44 ASP C . 19971 1 477 . 1 1 44 44 ASP CA C 13 57.224 0.03 . 1 . 430 . . 44 ASP CA . 19971 1 478 . 1 1 44 44 ASP CB C 13 40.026 0.107 . 1 . 431 . . 44 ASP CB . 19971 1 479 . 1 1 44 44 ASP N N 15 122.204 0.176 . 1 . 48 . . 44 ASP N . 19971 1 480 . 1 1 45 45 ALA H H 1 8.078 0.004 . 1 . 187 . . 45 ALA H . 19971 1 481 . 1 1 45 45 ALA HA H 1 4.048 0.008 . 1 . 658 . . 45 ALA HA . 19971 1 482 . 1 1 45 45 ALA HB1 H 1 1.345 0.006 . 1 . 657 . . 45 ALA HB1 . 19971 1 483 . 1 1 45 45 ALA HB2 H 1 1.345 0.006 . 1 . 657 . . 45 ALA HB2 . 19971 1 484 . 1 1 45 45 ALA HB3 H 1 1.345 0.006 . 1 . 657 . . 45 ALA HB3 . 19971 1 485 . 1 1 45 45 ALA C C 13 181.785 0.0 . 1 . 1123 . . 45 ALA C . 19971 1 486 . 1 1 45 45 ALA CA C 13 55.482 0.045 . 1 . 437 . . 45 ALA CA . 19971 1 487 . 1 1 45 45 ALA CB C 13 19.242 0.061 . 1 . 436 . . 45 ALA CB . 19971 1 488 . 1 1 45 45 ALA N N 15 123.808 0.05 . 1 . 188 . . 45 ALA N . 19971 1 489 . 1 1 46 46 PHE H H 1 7.920 0.01 . 1 . 198 . . 46 PHE H . 19971 1 490 . 1 1 46 46 PHE HA H 1 4.056 0.012 . 1 . 659 . . 46 PHE HA . 19971 1 491 . 1 1 46 46 PHE HB2 H 1 2.979 0.017 . 2 . 660 . . 46 PHE HB2 . 19971 1 492 . 1 1 46 46 PHE HB3 H 1 3.134 0.02 . 2 . 661 . . 46 PHE HB3 . 19971 1 493 . 1 1 46 46 PHE C C 13 178.335 0.0 . 1 . 1124 . . 46 PHE C . 19971 1 494 . 1 1 46 46 PHE CA C 13 62.582 0.034 . 1 . 461 . . 46 PHE CA . 19971 1 495 . 1 1 46 46 PHE CB C 13 39.878 0.092 . 1 . 462 . . 46 PHE CB . 19971 1 496 . 1 1 46 46 PHE N N 15 117.199 0.047 . 1 . 199 . . 46 PHE N . 19971 1 497 . 1 1 47 47 ALA H H 1 8.105 0.008 . 1 . 116 . . 47 ALA H . 19971 1 498 . 1 1 47 47 ALA HA H 1 4.322 0.006 . 1 . 663 . . 47 ALA HA . 19971 1 499 . 1 1 47 47 ALA HB1 H 1 1.587 0.009 . 1 . 662 . . 47 ALA HB1 . 19971 1 500 . 1 1 47 47 ALA HB2 H 1 1.587 0.009 . 1 . 662 . . 47 ALA HB2 . 19971 1 501 . 1 1 47 47 ALA HB3 H 1 1.587 0.009 . 1 . 662 . . 47 ALA HB3 . 19971 1 502 . 1 1 47 47 ALA C C 13 177.567 0.0 . 1 . 1125 . . 47 ALA C . 19971 1 503 . 1 1 47 47 ALA CA C 13 54.035 0.037 . 1 . 308 . . 47 ALA CA . 19971 1 504 . 1 1 47 47 ALA CB C 13 18.353 0.033 . 1 . 307 . . 47 ALA CB . 19971 1 505 . 1 1 47 47 ALA N N 15 121.526 0.093 . 1 . 117 . . 47 ALA N . 19971 1 506 . 1 1 48 48 LYS H H 1 7.213 0.012 . 1 . 278 . . 48 LYS H . 19971 1 507 . 1 1 48 48 LYS HA H 1 4.272 0.007 . 1 . 664 . . 48 LYS HA . 19971 1 508 . 1 1 48 48 LYS HB2 H 1 1.997 0.023 . 2 . 665 . . 48 LYS HB2 . 19971 1 509 . 1 1 48 48 LYS HB3 H 1 1.929 0.028 . 2 . 666 . . 48 LYS HB3 . 19971 1 510 . 1 1 48 48 LYS HG2 H 1 1.544 0.01 . 2 . 1353 . . 48 LYS HG2 . 19971 1 511 . 1 1 48 48 LYS HG3 H 1 1.849 0.012 . 2 . 1354 . . 48 LYS HG3 . 19971 1 512 . 1 1 48 48 LYS HD2 H 1 1.820 0.008 . 1 . 1351 . . 48 LYS HD2 . 19971 1 513 . 1 1 48 48 LYS HD3 H 1 1.820 0.008 . 1 . 1350 . . 48 LYS HD3 . 19971 1 514 . 1 1 48 48 LYS HE2 H 1 3.095 0.007 . 2 . 1348 . . 48 LYS HE2 . 19971 1 515 . 1 1 48 48 LYS HE3 H 1 3.095 0.007 . 2 . 1347 . . 48 LYS HE3 . 19971 1 516 . 1 1 48 48 LYS C C 13 178.141 0.0 . 1 . 1126 . . 48 LYS C . 19971 1 517 . 1 1 48 48 LYS CA C 13 57.358 0.041 . 1 . 305 . . 48 LYS CA . 19971 1 518 . 1 1 48 48 LYS CB C 13 33.522 0.039 . 1 . 306 . . 48 LYS CB . 19971 1 519 . 1 1 48 48 LYS CG C 13 25.579 0.044 . 1 . 872 . . 48 LYS CG . 19971 1 520 . 1 1 48 48 LYS CD C 13 30.232 0.05 . 1 . 1352 . . 48 LYS CD . 19971 1 521 . 1 1 48 48 LYS CE C 13 42.546 0.084 . 1 . 1349 . . 48 LYS CE . 19971 1 522 . 1 1 48 48 LYS N N 15 114.571 0.072 . 1 . 279 . . 48 LYS N . 19971 1 523 . 1 1 49 49 LEU H H 1 7.383 0.007 . 1 . 9 . . 49 LEU H . 19971 1 524 . 1 1 49 49 LEU HA H 1 4.523 0.01 . 1 . 1258 . . 49 LEU HA . 19971 1 525 . 1 1 49 49 LEU HB2 H 1 2.061 0.011 . 2 . 1355 . . 49 LEU HB2 . 19971 1 526 . 1 1 49 49 LEU HB3 H 1 1.335 0.013 . 2 . 1356 . . 49 LEU HB3 . 19971 1 527 . 1 1 49 49 LEU HG H 1 1.941 0.012 . 1 . 1357 . . 49 LEU HG . 19971 1 528 . 1 1 49 49 LEU HD11 H 1 0.928 0.016 . 2 . 1260 . . 49 LEU HD11 . 19971 1 529 . 1 1 49 49 LEU HD12 H 1 0.928 0.016 . 2 . 1260 . . 49 LEU HD12 . 19971 1 530 . 1 1 49 49 LEU HD13 H 1 0.928 0.016 . 2 . 1260 . . 49 LEU HD13 . 19971 1 531 . 1 1 49 49 LEU HD21 H 1 1.015 0.017 . 2 . 1259 . . 49 LEU HD21 . 19971 1 532 . 1 1 49 49 LEU HD22 H 1 1.015 0.017 . 2 . 1259 . . 49 LEU HD22 . 19971 1 533 . 1 1 49 49 LEU HD23 H 1 1.015 0.017 . 2 . 1259 . . 49 LEU HD23 . 19971 1 534 . 1 1 49 49 LEU CA C 13 53.628 0.034 . 1 . 564 . . 49 LEU CA . 19971 1 535 . 1 1 49 49 LEU CB C 13 40.483 0.046 . 1 . 565 . . 49 LEU CB . 19971 1 536 . 1 1 49 49 LEU CG C 13 27.021 0.051 . 1 . 1358 . . 49 LEU CG . 19971 1 537 . 1 1 49 49 LEU CD1 C 13 22.843 0.031 . 2 . 1261 . . 49 LEU CD1 . 19971 1 538 . 1 1 49 49 LEU CD2 C 13 25.795 0.051 . 2 . 1262 . . 49 LEU CD2 . 19971 1 539 . 1 1 49 49 LEU N N 15 119.597 0.028 . 1 . 10 . . 49 LEU N . 19971 1 540 . 1 1 50 50 PRO HA H 1 4.449 0.004 . 1 . 1592 . . 50 PRO HA . 19971 1 541 . 1 1 50 50 PRO HB2 H 1 1.796 0.002 . 2 . 1588 . . 50 PRO HB2 . 19971 1 542 . 1 1 50 50 PRO HB3 H 1 2.410 0.002 . 2 . 1589 . . 50 PRO HB3 . 19971 1 543 . 1 1 50 50 PRO HG2 H 1 2.065 0.002 . 2 . 1586 . . 50 PRO HG2 . 19971 1 544 . 1 1 50 50 PRO HG3 H 1 2.098 0.001 . 2 . 1587 . . 50 PRO HG3 . 19971 1 545 . 1 1 50 50 PRO HD2 H 1 3.978 0.003 . 2 . 1583 . . 50 PRO HD2 . 19971 1 546 . 1 1 50 50 PRO HD3 H 1 3.512 0.003 . 2 . 1584 . . 50 PRO HD3 . 19971 1 547 . 1 1 50 50 PRO CA C 13 63.089 0.037 . 1 . 1591 . . 50 PRO CA . 19971 1 548 . 1 1 50 50 PRO CB C 13 31.348 0.016 . 1 . 1590 . . 50 PRO CB . 19971 1 549 . 1 1 50 50 PRO CG C 13 28.227 0.002 . 1 . 1585 . . 50 PRO CG . 19971 1 550 . 1 1 50 50 PRO CD C 13 50.075 0.154 . 1 . 1582 . . 50 PRO CD . 19971 1 551 . 1 1 51 51 ASP HA H 1 4.446 0.002 . 1 . 1610 . . 51 ASP HA . 19971 1 552 . 1 1 51 51 ASP HB2 H 1 2.707 0.003 . 2 . 1608 . . 51 ASP HB2 . 19971 1 553 . 1 1 51 51 ASP HB3 H 1 2.638 0.001 . 2 . 1609 . . 51 ASP HB3 . 19971 1 554 . 1 1 51 51 ASP CA C 13 56.650 0.093 . 1 . 1611 . . 51 ASP CA . 19971 1 555 . 1 1 51 51 ASP CB C 13 40.776 0.021 . 1 . 1607 . . 51 ASP CB . 19971 1 556 . 1 1 52 52 GLY HA2 H 1 3.891 0.19 . 2 . 850 . . 52 GLY HA2 . 19971 1 557 . 1 1 52 52 GLY HA3 H 1 4.313 0.007 . 2 . 851 . . 52 GLY HA3 . 19971 1 558 . 1 1 52 52 GLY C C 13 175.886 0.0 . 1 . 1128 . . 52 GLY C . 19971 1 559 . 1 1 52 52 GLY CA C 13 45.715 0.059 . 1 . 566 . . 52 GLY CA . 19971 1 560 . 1 1 53 53 THR H H 1 8.088 0.003 . 1 . 282 . . 53 THR H . 19971 1 561 . 1 1 53 53 THR HA H 1 3.945 0.012 . 1 . 1264 . . 53 THR HA . 19971 1 562 . 1 1 53 53 THR HB H 1 4.203 0.019 . 1 . 1263 . . 53 THR HB . 19971 1 563 . 1 1 53 53 THR HG21 H 1 1.203 0.018 . 1 . 1265 . . 53 THR HG21 . 19971 1 564 . 1 1 53 53 THR HG22 H 1 1.203 0.018 . 1 . 1265 . . 53 THR HG22 . 19971 1 565 . 1 1 53 53 THR HG23 H 1 1.203 0.018 . 1 . 1265 . . 53 THR HG23 . 19971 1 566 . 1 1 53 53 THR C C 13 176.083 0.0 . 1 . 1129 . . 53 THR C . 19971 1 567 . 1 1 53 53 THR CA C 13 67.579 0.047 . 1 . 567 . . 53 THR CA . 19971 1 568 . 1 1 53 53 THR CB C 13 68.282 0.051 . 1 . 453 . . 53 THR CB . 19971 1 569 . 1 1 53 53 THR CG2 C 13 21.873 0.061 . 1 . 1266 . . 53 THR CG2 . 19971 1 570 . 1 1 53 53 THR N N 15 118.861 0.076 . 1 . 283 . . 53 THR N . 19971 1 571 . 1 1 54 54 ILE H H 1 8.643 0.019 . 1 . 151 . . 54 ILE H . 19971 1 572 . 1 1 54 54 ILE HA H 1 3.802 0.016 . 1 . 668 . . 54 ILE HA . 19971 1 573 . 1 1 54 54 ILE HB H 1 1.978 0.007 . 1 . 667 . . 54 ILE HB . 19971 1 574 . 1 1 54 54 ILE HG12 H 1 1.598 0.003 . 2 . 979 . . 54 ILE HG12 . 19971 1 575 . 1 1 54 54 ILE HG13 H 1 1.331 0.157 . 2 . 980 . . 54 ILE HG13 . 19971 1 576 . 1 1 54 54 ILE HG21 H 1 0.838 0.007 . 1 . 910 . . 54 ILE HG21 . 19971 1 577 . 1 1 54 54 ILE HG22 H 1 0.838 0.007 . 1 . 910 . . 54 ILE HG22 . 19971 1 578 . 1 1 54 54 ILE HG23 H 1 0.838 0.007 . 1 . 910 . . 54 ILE HG23 . 19971 1 579 . 1 1 54 54 ILE HD11 H 1 0.882 0.007 . 1 . 977 . . 54 ILE HD11 . 19971 1 580 . 1 1 54 54 ILE HD12 H 1 0.882 0.007 . 1 . 977 . . 54 ILE HD12 . 19971 1 581 . 1 1 54 54 ILE HD13 H 1 0.882 0.007 . 1 . 977 . . 54 ILE HD13 . 19971 1 582 . 1 1 54 54 ILE C C 13 176.897 0.0 . 1 . 1130 . . 54 ILE C . 19971 1 583 . 1 1 54 54 ILE CA C 13 64.177 0.104 . 1 . 452 . . 54 ILE CA . 19971 1 584 . 1 1 54 54 ILE CB C 13 36.911 0.06 . 1 . 568 . . 54 ILE CB . 19971 1 585 . 1 1 54 54 ILE CG1 C 13 28.937 0.057 . 1 . 981 . . 54 ILE CG1 . 19971 1 586 . 1 1 54 54 ILE CG2 C 13 17.342 0.016 . 1 . 976 . . 54 ILE CG2 . 19971 1 587 . 1 1 54 54 ILE CD1 C 13 12.462 0.071 . 1 . 978 . . 54 ILE CD1 . 19971 1 588 . 1 1 54 54 ILE N N 15 121.247 0.174 . 1 . 152 . . 54 ILE N . 19971 1 589 . 1 1 55 55 THR H H 1 7.869 0.005 . 1 . 3 . . 55 THR H . 19971 1 590 . 1 1 55 55 THR HA H 1 3.831 0.014 . 1 . 670 . . 55 THR HA . 19971 1 591 . 1 1 55 55 THR HB H 1 4.048 0.01 . 1 . 669 . . 55 THR HB . 19971 1 592 . 1 1 55 55 THR HG21 H 1 1.187 0.011 . 1 . 911 . . 55 THR HG21 . 19971 1 593 . 1 1 55 55 THR HG22 H 1 1.187 0.011 . 1 . 911 . . 55 THR HG22 . 19971 1 594 . 1 1 55 55 THR HG23 H 1 1.187 0.011 . 1 . 911 . . 55 THR HG23 . 19971 1 595 . 1 1 55 55 THR C C 13 176.128 0.0 . 1 . 1131 . . 55 THR C . 19971 1 596 . 1 1 55 55 THR CA C 13 66.212 0.054 . 1 . 385 . . 55 THR CA . 19971 1 597 . 1 1 55 55 THR CB C 13 68.478 0.055 . 1 . 384 . . 55 THR CB . 19971 1 598 . 1 1 55 55 THR CG2 C 13 22.188 0.101 . 1 . 873 . . 55 THR CG2 . 19971 1 599 . 1 1 55 55 THR N N 15 115.546 0.078 . 1 . 4 . . 55 THR N . 19971 1 600 . 1 1 56 56 SER H H 1 7.681 0.01 . 1 . 208 . . 56 SER H . 19971 1 601 . 1 1 56 56 SER HA H 1 4.200 0.01 . 1 . 671 . . 56 SER HA . 19971 1 602 . 1 1 56 56 SER HB2 H 1 3.998 0.007 . 2 . 672 . . 56 SER HB2 . 19971 1 603 . 1 1 56 56 SER HB3 H 1 3.948 0.005 . 2 . 673 . . 56 SER HB3 . 19971 1 604 . 1 1 56 56 SER C C 13 176.888 0.0 . 1 . 1132 . . 56 SER C . 19971 1 605 . 1 1 56 56 SER CA C 13 61.762 0.061 . 1 . 382 . . 56 SER CA . 19971 1 606 . 1 1 56 56 SER CB C 13 62.973 0.046 . 1 . 383 . . 56 SER CB . 19971 1 607 . 1 1 56 56 SER N N 15 115.388 0.054 . 1 . 209 . . 56 SER N . 19971 1 608 . 1 1 57 57 LEU H H 1 8.141 0.009 . 1 . 244 . . 57 LEU H . 19971 1 609 . 1 1 57 57 LEU HA H 1 4.157 0.01 . 1 . 674 . . 57 LEU HA . 19971 1 610 . 1 1 57 57 LEU HB2 H 1 2.047 0.01 . 2 . 675 . . 57 LEU HB2 . 19971 1 611 . 1 1 57 57 LEU HB3 H 1 1.357 0.011 . 2 . 1359 . . 57 LEU HB3 . 19971 1 612 . 1 1 57 57 LEU HG H 1 1.937 0.009 . 1 . 1360 . . 57 LEU HG . 19971 1 613 . 1 1 57 57 LEU HD11 H 1 0.798 0.016 . 2 . 983 . . 57 LEU HD11 . 19971 1 614 . 1 1 57 57 LEU HD12 H 1 0.798 0.016 . 2 . 983 . . 57 LEU HD12 . 19971 1 615 . 1 1 57 57 LEU HD13 H 1 0.798 0.016 . 2 . 983 . . 57 LEU HD13 . 19971 1 616 . 1 1 57 57 LEU HD21 H 1 0.794 0.011 . 2 . 982 . . 57 LEU HD21 . 19971 1 617 . 1 1 57 57 LEU HD22 H 1 0.794 0.011 . 2 . 982 . . 57 LEU HD22 . 19971 1 618 . 1 1 57 57 LEU HD23 H 1 0.794 0.011 . 2 . 982 . . 57 LEU HD23 . 19971 1 619 . 1 1 57 57 LEU C C 13 179.036 0.0 . 1 . 1133 . . 57 LEU C . 19971 1 620 . 1 1 57 57 LEU CA C 13 58.328 0.115 . 1 . 381 . . 57 LEU CA . 19971 1 621 . 1 1 57 57 LEU CB C 13 42.399 0.043 . 1 . 380 . . 57 LEU CB . 19971 1 622 . 1 1 57 57 LEU CG C 13 26.719 0.07 . 1 . 1361 . . 57 LEU CG . 19971 1 623 . 1 1 57 57 LEU CD1 C 13 25.118 0.073 . 2 . 984 . . 57 LEU CD1 . 19971 1 624 . 1 1 57 57 LEU CD2 C 13 22.948 0.054 . 2 . 1362 . . 57 LEU CD2 . 19971 1 625 . 1 1 57 57 LEU N N 15 122.269 0.072 . 1 . 245 . . 57 LEU N . 19971 1 626 . 1 1 58 58 VAL H H 1 8.366 0.006 . 1 . 82 . . 58 VAL H . 19971 1 627 . 1 1 58 58 VAL HA H 1 3.716 0.009 . 1 . 676 . . 58 VAL HA . 19971 1 628 . 1 1 58 58 VAL HB H 1 2.224 0.012 . 1 . 677 . . 58 VAL HB . 19971 1 629 . 1 1 58 58 VAL HG11 H 1 0.902 0.008 . 2 . 913 . . 58 VAL HG11 . 19971 1 630 . 1 1 58 58 VAL HG12 H 1 0.902 0.008 . 2 . 913 . . 58 VAL HG12 . 19971 1 631 . 1 1 58 58 VAL HG13 H 1 0.902 0.008 . 2 . 913 . . 58 VAL HG13 . 19971 1 632 . 1 1 58 58 VAL HG21 H 1 0.942 0.029 . 2 . 912 . . 58 VAL HG21 . 19971 1 633 . 1 1 58 58 VAL HG22 H 1 0.942 0.029 . 2 . 912 . . 58 VAL HG22 . 19971 1 634 . 1 1 58 58 VAL HG23 H 1 0.942 0.029 . 2 . 912 . . 58 VAL HG23 . 19971 1 635 . 1 1 58 58 VAL C C 13 176.772 0.0 . 1 . 1134 . . 58 VAL C . 19971 1 636 . 1 1 58 58 VAL CA C 13 65.394 0.022 . 1 . 418 . . 58 VAL CA . 19971 1 637 . 1 1 58 58 VAL CB C 13 31.411 0.074 . 1 . 417 . . 58 VAL CB . 19971 1 638 . 1 1 58 58 VAL CG1 C 13 20.820 0.087 . 2 . 985 . . 58 VAL CG1 . 19971 1 639 . 1 1 58 58 VAL CG2 C 13 21.526 0.106 . 2 . 986 . . 58 VAL CG2 . 19971 1 640 . 1 1 58 58 VAL N N 15 115.422 0.074 . 1 . 83 . . 58 VAL N . 19971 1 641 . 1 1 59 59 GLN H H 1 7.249 0.008 . 1 . 143 . . 59 GLN H . 19971 1 642 . 1 1 59 59 GLN HA H 1 4.237 0.02 . 1 . 678 . . 59 GLN HA . 19971 1 643 . 1 1 59 59 GLN HB2 H 1 2.278 0.073 . 2 . 679 . . 59 GLN HB2 . 19971 1 644 . 1 1 59 59 GLN HB3 H 1 2.086 0.01 . 2 . 680 . . 59 GLN HB3 . 19971 1 645 . 1 1 59 59 GLN HG2 H 1 2.433 0.008 . 2 . 914 . . 59 GLN HG2 . 19971 1 646 . 1 1 59 59 GLN HG3 H 1 2.616 0.009 . 2 . 915 . . 59 GLN HG3 . 19971 1 647 . 1 1 59 59 GLN HE21 H 1 7.378 0.006 . 1 . 214 . . 59 GLN HE21 . 19971 1 648 . 1 1 59 59 GLN HE22 H 1 6.818 0.003 . 1 . 234 . . 59 GLN HE22 . 19971 1 649 . 1 1 59 59 GLN C C 13 175.168 0.0 . 1 . 1135 . . 59 GLN C . 19971 1 650 . 1 1 59 59 GLN CA C 13 55.970 0.034 . 1 . 421 . . 59 GLN CA . 19971 1 651 . 1 1 59 59 GLN CB C 13 28.745 0.036 . 1 . 420 . . 59 GLN CB . 19971 1 652 . 1 1 59 59 GLN CG C 13 34.403 0.068 . 1 . 874 . . 59 GLN CG . 19971 1 653 . 1 1 59 59 GLN CD C 13 180.510 0.012 . 1 . 1540 . . 59 GLN CD . 19971 1 654 . 1 1 59 59 GLN N N 15 114.423 0.038 . 1 . 144 . . 59 GLN N . 19971 1 655 . 1 1 59 59 GLN NE2 N 15 111.548 0.288 . 1 . 215 . . 59 GLN NE2 . 19971 1 656 . 1 1 60 60 ASN H H 1 7.812 0.005 . 1 . 147 . . 60 ASN H . 19971 1 657 . 1 1 60 60 ASN HA H 1 5.064 0.011 . 1 . 1267 . . 60 ASN HA . 19971 1 658 . 1 1 60 60 ASN HB2 H 1 3.147 0.008 . 2 . 1268 . . 60 ASN HB2 . 19971 1 659 . 1 1 60 60 ASN HB3 H 1 2.623 0.008 . 2 . 1269 . . 60 ASN HB3 . 19971 1 660 . 1 1 60 60 ASN HD21 H 1 7.766 0.002 . 1 . 140 . . 60 ASN HD21 . 19971 1 661 . 1 1 60 60 ASN HD22 H 1 6.844 0.002 . 1 . 1528 . . 60 ASN HD22 . 19971 1 662 . 1 1 60 60 ASN CA C 13 50.297 0.064 . 1 . 449 . . 60 ASN CA . 19971 1 663 . 1 1 60 60 ASN CB C 13 39.194 0.202 . 1 . 448 . . 60 ASN CB . 19971 1 664 . 1 1 60 60 ASN CG C 13 178.012 0.005 . 1 . 1544 . . 60 ASN CG . 19971 1 665 . 1 1 60 60 ASN N N 15 118.826 0.05 . 1 . 148 . . 60 ASN N . 19971 1 666 . 1 1 60 60 ASN ND2 N 15 112.627 0.068 . 1 . 141 . . 60 ASN ND2 . 19971 1 667 . 1 1 61 61 PRO HA H 1 4.241 0.011 . 1 . 1580 . . 61 PRO HA . 19971 1 668 . 1 1 61 61 PRO HB2 H 1 2.429 0.006 . 2 . 1577 . . 61 PRO HB2 . 19971 1 669 . 1 1 61 61 PRO HB3 H 1 2.109 0.008 . 2 . 1579 . . 61 PRO HB3 . 19971 1 670 . 1 1 61 61 PRO HG2 H 1 2.158 0.157 . 2 . 1574 . . 61 PRO HG2 . 19971 1 671 . 1 1 61 61 PRO HG3 H 1 1.928 0.003 . 2 . 1575 . . 61 PRO HG3 . 19971 1 672 . 1 1 61 61 PRO HD2 H 1 3.616 0.003 . 2 . 1573 . . 61 PRO HD2 . 19971 1 673 . 1 1 61 61 PRO HD3 H 1 3.617 0.003 . 2 . 1572 . . 61 PRO HD3 . 19971 1 674 . 1 1 61 61 PRO CA C 13 67.051 0.059 . 1 . 1581 . . 61 PRO CA . 19971 1 675 . 1 1 61 61 PRO CB C 13 29.443 0.11 . 1 . 1578 . . 61 PRO CB . 19971 1 676 . 1 1 61 61 PRO CG C 13 27.741 0.058 . 1 . 1576 . . 61 PRO CG . 19971 1 677 . 1 1 61 61 PRO CD C 13 49.433 0.015 . 1 . 1571 . . 61 PRO CD . 19971 1 678 . 1 1 62 62 PRO HA H 1 4.403 0.012 . 1 . 683 . . 62 PRO HA . 19971 1 679 . 1 1 62 62 PRO HB2 H 1 1.870 0.012 . 2 . 681 . . 62 PRO HB2 . 19971 1 680 . 1 1 62 62 PRO HB3 H 1 2.404 0.077 . 2 . 682 . . 62 PRO HB3 . 19971 1 681 . 1 1 62 62 PRO HG2 H 1 2.174 0.005 . 2 . 1363 . . 62 PRO HG2 . 19971 1 682 . 1 1 62 62 PRO HG3 H 1 2.022 0.005 . 2 . 1364 . . 62 PRO HG3 . 19971 1 683 . 1 1 62 62 PRO HD2 H 1 3.742 0.014 . 2 . 1366 . . 62 PRO HD2 . 19971 1 684 . 1 1 62 62 PRO HD3 H 1 3.737 0.029 . 2 . 1367 . . 62 PRO HD3 . 19971 1 685 . 1 1 62 62 PRO C C 13 179.985 0.0 . 1 . 1136 . . 62 PRO C . 19971 1 686 . 1 1 62 62 PRO CA C 13 66.414 0.083 . 1 . 569 . . 62 PRO CA . 19971 1 687 . 1 1 62 62 PRO CB C 13 31.429 0.133 . 1 . 570 . . 62 PRO CB . 19971 1 688 . 1 1 62 62 PRO CG C 13 28.642 0.024 . 1 . 1365 . . 62 PRO CG . 19971 1 689 . 1 1 62 62 PRO CD C 13 50.196 0.046 . 1 . 1368 . . 62 PRO CD . 19971 1 690 . 1 1 63 63 GLN H H 1 7.556 0.008 . 1 . 256 . . 63 GLN H . 19971 1 691 . 1 1 63 63 GLN HA H 1 4.214 0.008 . 1 . 686 . . 63 GLN HA . 19971 1 692 . 1 1 63 63 GLN HB2 H 1 2.088 0.015 . 2 . 685 . . 63 GLN HB2 . 19971 1 693 . 1 1 63 63 GLN HB3 H 1 2.088 0.015 . 2 . 684 . . 63 GLN HB3 . 19971 1 694 . 1 1 63 63 GLN HG2 H 1 2.368 0.008 . 2 . 916 . . 63 GLN HG2 . 19971 1 695 . 1 1 63 63 GLN HG3 H 1 2.366 0.007 . 2 . 917 . . 63 GLN HG3 . 19971 1 696 . 1 1 63 63 GLN HE21 H 1 7.275 0.013 . 1 . 182 . . 63 GLN HE21 . 19971 1 697 . 1 1 63 63 GLN HE22 H 1 6.818 0.003 . 1 . 142 . . 63 GLN HE22 . 19971 1 698 . 1 1 63 63 GLN C C 13 178.124 0.0 . 1 . 1137 . . 63 GLN C . 19971 1 699 . 1 1 63 63 GLN CA C 13 58.164 0.034 . 1 . 310 . . 63 GLN CA . 19971 1 700 . 1 1 63 63 GLN CB C 13 28.691 0.049 . 1 . 309 . . 63 GLN CB . 19971 1 701 . 1 1 63 63 GLN CG C 13 33.467 0.122 . 1 . 875 . . 63 GLN CG . 19971 1 702 . 1 1 63 63 GLN CD C 13 179.087 0.003 . 1 . 1539 . . 63 GLN CD . 19971 1 703 . 1 1 63 63 GLN N N 15 118.119 0.085 . 1 . 257 . . 63 GLN N . 19971 1 704 . 1 1 63 63 GLN NE2 N 15 110.535 0.049 . 1 . 183 . . 63 GLN NE2 . 19971 1 705 . 1 1 64 64 LEU H H 1 7.900 0.01 . 1 . 11 . . 64 LEU H . 19971 1 706 . 1 1 64 64 LEU HA H 1 4.072 0.007 . 1 . 687 . . 64 LEU HA . 19971 1 707 . 1 1 64 64 LEU HB2 H 1 1.645 0.021 . 2 . 688 . . 64 LEU HB2 . 19971 1 708 . 1 1 64 64 LEU HB3 H 1 1.917 0.016 . 2 . 1369 . . 64 LEU HB3 . 19971 1 709 . 1 1 64 64 LEU HG H 1 1.497 0.009 . 1 . 1370 . . 64 LEU HG . 19971 1 710 . 1 1 64 64 LEU HD11 H 1 0.862 0.008 . 2 . 987 . . 64 LEU HD11 . 19971 1 711 . 1 1 64 64 LEU HD12 H 1 0.862 0.008 . 2 . 987 . . 64 LEU HD12 . 19971 1 712 . 1 1 64 64 LEU HD13 H 1 0.862 0.008 . 2 . 987 . . 64 LEU HD13 . 19971 1 713 . 1 1 64 64 LEU HD21 H 1 0.885 0.017 . 2 . 1270 . . 64 LEU HD21 . 19971 1 714 . 1 1 64 64 LEU HD22 H 1 0.885 0.017 . 2 . 1270 . . 64 LEU HD22 . 19971 1 715 . 1 1 64 64 LEU HD23 H 1 0.885 0.017 . 2 . 1270 . . 64 LEU HD23 . 19971 1 716 . 1 1 64 64 LEU C C 13 178.503 0.0 . 1 . 1138 . . 64 LEU C . 19971 1 717 . 1 1 64 64 LEU CA C 13 57.761 0.06 . 1 . 375 . . 64 LEU CA . 19971 1 718 . 1 1 64 64 LEU CB C 13 40.974 0.036 . 1 . 376 . . 64 LEU CB . 19971 1 719 . 1 1 64 64 LEU CG C 13 26.837 0.113 . 1 . 1372 . . 64 LEU CG . 19971 1 720 . 1 1 64 64 LEU CD1 C 13 26.509 0.062 . 2 . 988 . . 64 LEU CD1 . 19971 1 721 . 1 1 64 64 LEU CD2 C 13 21.566 0.147 . 2 . 1373 . . 64 LEU CD2 . 19971 1 722 . 1 1 64 64 LEU N N 15 120.620 0.034 . 1 . 12 . . 64 LEU N . 19971 1 723 . 1 1 65 65 GLY H H 1 8.987 0.006 . 1 . 170 . . 65 GLY H . 19971 1 724 . 1 1 65 65 GLY HA2 H 1 3.564 0.013 . 2 . 845 . . 65 GLY HA2 . 19971 1 725 . 1 1 65 65 GLY HA3 H 1 3.997 0.159 . 2 . 846 . . 65 GLY HA3 . 19971 1 726 . 1 1 65 65 GLY C C 13 174.507 0.0 . 1 . 1139 . . 65 GLY C . 19971 1 727 . 1 1 65 65 GLY CA C 13 47.744 0.05 . 1 . 374 . . 65 GLY CA . 19971 1 728 . 1 1 65 65 GLY N N 15 104.774 0.047 . 1 . 171 . . 65 GLY N . 19971 1 729 . 1 1 66 66 ARG H H 1 7.395 0.006 . 1 . 167 . . 66 ARG H . 19971 1 730 . 1 1 66 66 ARG HA H 1 3.907 0.01 . 1 . 690 . . 66 ARG HA . 19971 1 731 . 1 1 66 66 ARG HB2 H 1 1.955 0.01 . 2 . 689 . . 66 ARG HB2 . 19971 1 732 . 1 1 66 66 ARG HB3 H 1 1.959 0.006 . 2 . 1375 . . 66 ARG HB3 . 19971 1 733 . 1 1 66 66 ARG HG2 H 1 1.531 0.008 . 2 . 1064 . . 66 ARG HG2 . 19971 1 734 . 1 1 66 66 ARG HG3 H 1 1.877 0.008 . 2 . 1374 . . 66 ARG HG3 . 19971 1 735 . 1 1 66 66 ARG HD2 H 1 3.213 0.011 . 2 . 1063 . . 66 ARG HD2 . 19971 1 736 . 1 1 66 66 ARG HD3 H 1 3.213 0.011 . 2 . 1062 . . 66 ARG HD3 . 19971 1 737 . 1 1 66 66 ARG C C 13 176.903 0.0 . 1 . 1140 . . 66 ARG C . 19971 1 738 . 1 1 66 66 ARG CA C 13 60.522 0.138 . 1 . 373 . . 66 ARG CA . 19971 1 739 . 1 1 66 66 ARG CB C 13 30.309 0.057 . 1 . 372 . . 66 ARG CB . 19971 1 740 . 1 1 66 66 ARG CG C 13 28.027 0.039 . 1 . 1065 . . 66 ARG CG . 19971 1 741 . 1 1 66 66 ARG CD C 13 43.908 0.08 . 1 . 1061 . . 66 ARG CD . 19971 1 742 . 1 1 66 66 ARG N N 15 121.092 0.057 . 1 . 168 . . 66 ARG N . 19971 1 743 . 1 1 67 67 ILE H H 1 7.433 0.008 . 1 . 63 . . 67 ILE H . 19971 1 744 . 1 1 67 67 ILE HA H 1 3.854 0.006 . 1 . 691 . . 67 ILE HA . 19971 1 745 . 1 1 67 67 ILE HB H 1 2.029 0.014 . 1 . 1271 . . 67 ILE HB . 19971 1 746 . 1 1 67 67 ILE HG12 H 1 1.797 0.01 . 2 . 1275 . . 67 ILE HG12 . 19971 1 747 . 1 1 67 67 ILE HG13 H 1 1.304 0.013 . 2 . 1276 . . 67 ILE HG13 . 19971 1 748 . 1 1 67 67 ILE HG21 H 1 1.047 0.014 . 1 . 1274 . . 67 ILE HG21 . 19971 1 749 . 1 1 67 67 ILE HG22 H 1 1.047 0.014 . 1 . 1274 . . 67 ILE HG22 . 19971 1 750 . 1 1 67 67 ILE HG23 H 1 1.047 0.014 . 1 . 1274 . . 67 ILE HG23 . 19971 1 751 . 1 1 67 67 ILE HD11 H 1 0.928 0.005 . 1 . 1272 . . 67 ILE HD11 . 19971 1 752 . 1 1 67 67 ILE HD12 H 1 0.928 0.005 . 1 . 1272 . . 67 ILE HD12 . 19971 1 753 . 1 1 67 67 ILE HD13 H 1 0.928 0.005 . 1 . 1272 . . 67 ILE HD13 . 19971 1 754 . 1 1 67 67 ILE C C 13 179.923 0.0 . 1 . 1141 . . 67 ILE C . 19971 1 755 . 1 1 67 67 ILE CA C 13 63.961 0.07 . 1 . 490 . . 67 ILE CA . 19971 1 756 . 1 1 67 67 ILE CB C 13 38.346 0.091 . 1 . 489 . . 67 ILE CB . 19971 1 757 . 1 1 67 67 ILE CG1 C 13 29.786 0.054 . 1 . 1278 . . 67 ILE CG1 . 19971 1 758 . 1 1 67 67 ILE CG2 C 13 16.737 0.021 . 1 . 1277 . . 67 ILE CG2 . 19971 1 759 . 1 1 67 67 ILE CD1 C 13 14.464 0.033 . 1 . 1273 . . 67 ILE CD1 . 19971 1 760 . 1 1 67 67 ILE N N 15 115.722 0.105 . 1 . 64 . . 67 ILE N . 19971 1 761 . 1 1 68 68 LEU H H 1 8.694 0.007 . 1 . 487 . . 68 LEU H . 19971 1 762 . 1 1 68 68 LEU HA H 1 4.067 0.007 . 1 . 1279 . . 68 LEU HA . 19971 1 763 . 1 1 68 68 LEU HB2 H 1 1.868 0.004 . 2 . 1376 . . 68 LEU HB2 . 19971 1 764 . 1 1 68 68 LEU HB3 H 1 1.144 0.02 . 2 . 1377 . . 68 LEU HB3 . 19971 1 765 . 1 1 68 68 LEU HG H 1 1.823 0.016 . 1 . 1378 . . 68 LEU HG . 19971 1 766 . 1 1 68 68 LEU HD11 H 1 0.628 0.009 . 2 . 1280 . . 68 LEU HD11 . 19971 1 767 . 1 1 68 68 LEU HD12 H 1 0.628 0.009 . 2 . 1280 . . 68 LEU HD12 . 19971 1 768 . 1 1 68 68 LEU HD13 H 1 0.628 0.009 . 2 . 1280 . . 68 LEU HD13 . 19971 1 769 . 1 1 68 68 LEU HD21 H 1 0.646 0.012 . 2 . 1379 . . 68 LEU HD21 . 19971 1 770 . 1 1 68 68 LEU HD22 H 1 0.646 0.012 . 2 . 1379 . . 68 LEU HD22 . 19971 1 771 . 1 1 68 68 LEU HD23 H 1 0.646 0.012 . 2 . 1379 . . 68 LEU HD23 . 19971 1 772 . 1 1 68 68 LEU C C 13 175.769 0.0 . 1 . 1142 . . 68 LEU C . 19971 1 773 . 1 1 68 68 LEU CA C 13 58.323 0.049 . 1 . 504 . . 68 LEU CA . 19971 1 774 . 1 1 68 68 LEU CB C 13 41.678 0.06 . 1 . 505 . . 68 LEU CB . 19971 1 775 . 1 1 68 68 LEU CG C 13 26.668 0.065 . 1 . 1371 . . 68 LEU CG . 19971 1 776 . 1 1 68 68 LEU CD1 C 13 21.272 0.035 . 2 . 1281 . . 68 LEU CD1 . 19971 1 777 . 1 1 68 68 LEU CD2 C 13 26.799 0.04 . 2 . 1380 . . 68 LEU CD2 . 19971 1 778 . 1 1 68 68 LEU N N 15 120.189 0.045 . 1 . 488 . . 68 LEU N . 19971 1 779 . 1 1 69 69 LYS H H 1 8.377 0.006 . 1 . 272 . . 69 LYS H . 19971 1 780 . 1 1 69 69 LYS HA H 1 3.906 0.013 . 1 . 693 . . 69 LYS HA . 19971 1 781 . 1 1 69 69 LYS HB2 H 1 1.740 0.024 . 2 . 692 . . 69 LYS HB2 . 19971 1 782 . 1 1 69 69 LYS HB3 H 1 1.955 0.013 . 2 . 1381 . . 69 LYS HB3 . 19971 1 783 . 1 1 69 69 LYS C C 13 177.858 0.0 . 1 . 1143 . . 69 LYS C . 19971 1 784 . 1 1 69 69 LYS CA C 13 60.648 0.023 . 1 . 479 . . 69 LYS CA . 19971 1 785 . 1 1 69 69 LYS CB C 13 31.825 0.262 . 1 . 480 . . 69 LYS CB . 19971 1 786 . 1 1 69 69 LYS N N 15 116.785 0.032 . 1 . 273 . . 69 LYS N . 19971 1 787 . 1 1 70 70 TYR H H 1 7.773 0.003 . 1 . 184 . . 70 TYR H . 19971 1 788 . 1 1 70 70 TYR HA H 1 4.799 0.01 . 1 . 601 . . 70 TYR HA . 19971 1 789 . 1 1 70 70 TYR HB2 H 1 3.209 0.014 . 2 . 602 . . 70 TYR HB2 . 19971 1 790 . 1 1 70 70 TYR HB3 H 1 3.206 0.006 . 2 . 603 . . 70 TYR HB3 . 19971 1 791 . 1 1 70 70 TYR C C 13 172.734 0.0 . 1 . 1144 . . 70 TYR C . 19971 1 792 . 1 1 70 70 TYR CA C 13 58.241 0.051 . 1 . 571 . . 70 TYR CA . 19971 1 793 . 1 1 70 70 TYR CB C 13 38.527 0.078 . 1 . 377 . . 70 TYR CB . 19971 1 794 . 1 1 70 70 TYR N N 15 120.329 0.057 . 1 . 185 . . 70 TYR N . 19971 1 795 . 1 1 71 71 HIS H H 1 7.847 0.005 . 1 . 165 . . 71 HIS H . 19971 1 796 . 1 1 71 71 HIS HA H 1 4.419 0.02 . 1 . 695 . . 71 HIS HA . 19971 1 797 . 1 1 71 71 HIS HB2 H 1 3.231 0.009 . 2 . 856 . . 71 HIS HB2 . 19971 1 798 . 1 1 71 71 HIS HB3 H 1 3.231 0.009 . 2 . 855 . . 71 HIS HB3 . 19971 1 799 . 1 1 71 71 HIS C C 13 173.463 0.0 . 1 . 1145 . . 71 HIS C . 19971 1 800 . 1 1 71 71 HIS CA C 13 58.322 0.054 . 1 . 511 . . 71 HIS CA . 19971 1 801 . 1 1 71 71 HIS CB C 13 28.068 0.079 . 1 . 510 . . 71 HIS CB . 19971 1 802 . 1 1 71 71 HIS N N 15 109.391 0.03 . 1 . 166 . . 71 HIS N . 19971 1 803 . 1 1 72 72 VAL H H 1 7.357 0.011 . 1 . 506 . . 72 VAL H . 19971 1 804 . 1 1 72 72 VAL HA H 1 4.987 0.013 . 1 . 694 . . 72 VAL HA . 19971 1 805 . 1 1 72 72 VAL HB H 1 1.899 0.003 . 1 . 989 . . 72 VAL HB . 19971 1 806 . 1 1 72 72 VAL HG11 H 1 0.968 0.011 . 2 . 990 . . 72 VAL HG11 . 19971 1 807 . 1 1 72 72 VAL HG12 H 1 0.968 0.011 . 2 . 990 . . 72 VAL HG12 . 19971 1 808 . 1 1 72 72 VAL HG13 H 1 0.968 0.011 . 2 . 990 . . 72 VAL HG13 . 19971 1 809 . 1 1 72 72 VAL HG21 H 1 0.873 0.017 . 2 . 991 . . 72 VAL HG21 . 19971 1 810 . 1 1 72 72 VAL HG22 H 1 0.873 0.017 . 2 . 991 . . 72 VAL HG22 . 19971 1 811 . 1 1 72 72 VAL HG23 H 1 0.873 0.017 . 2 . 991 . . 72 VAL HG23 . 19971 1 812 . 1 1 72 72 VAL C C 13 173.219 0.0 . 1 . 1146 . . 72 VAL C . 19971 1 813 . 1 1 72 72 VAL CA C 13 61.038 0.063 . 1 . 509 . . 72 VAL CA . 19971 1 814 . 1 1 72 72 VAL CB C 13 34.651 0.05 . 1 . 508 . . 72 VAL CB . 19971 1 815 . 1 1 72 72 VAL CG1 C 13 20.722 0.064 . 2 . 992 . . 72 VAL CG1 . 19971 1 816 . 1 1 72 72 VAL CG2 C 13 23.565 0.042 . 2 . 993 . . 72 VAL CG2 . 19971 1 817 . 1 1 72 72 VAL N N 15 117.424 0.056 . 1 . 507 . . 72 VAL N . 19971 1 818 . 1 1 73 73 VAL H H 1 9.381 0.004 . 1 . 258 . . 73 VAL H . 19971 1 819 . 1 1 73 73 VAL HA H 1 4.409 0.01 . 1 . 859 . . 73 VAL HA . 19971 1 820 . 1 1 73 73 VAL HB H 1 2.034 0.016 . 1 . 994 . . 73 VAL HB . 19971 1 821 . 1 1 73 73 VAL HG11 H 1 1.148 0.014 . 2 . 995 . . 73 VAL HG11 . 19971 1 822 . 1 1 73 73 VAL HG12 H 1 1.148 0.014 . 2 . 995 . . 73 VAL HG12 . 19971 1 823 . 1 1 73 73 VAL HG13 H 1 1.148 0.014 . 2 . 995 . . 73 VAL HG13 . 19971 1 824 . 1 1 73 73 VAL HG21 H 1 0.869 0.013 . 2 . 996 . . 73 VAL HG21 . 19971 1 825 . 1 1 73 73 VAL HG22 H 1 0.869 0.013 . 2 . 996 . . 73 VAL HG22 . 19971 1 826 . 1 1 73 73 VAL HG23 H 1 0.869 0.013 . 2 . 996 . . 73 VAL HG23 . 19971 1 827 . 1 1 73 73 VAL C C 13 174.931 0.0 . 1 . 1147 . . 73 VAL C . 19971 1 828 . 1 1 73 73 VAL CA C 13 60.160 0.03 . 1 . 320 . . 73 VAL CA . 19971 1 829 . 1 1 73 73 VAL CB C 13 36.819 0.077 . 1 . 319 . . 73 VAL CB . 19971 1 830 . 1 1 73 73 VAL CG1 C 13 21.253 0.041 . 2 . 997 . . 73 VAL CG1 . 19971 1 831 . 1 1 73 73 VAL CG2 C 13 22.146 0.037 . 2 . 998 . . 73 VAL CG2 . 19971 1 832 . 1 1 73 73 VAL N N 15 127.122 0.05 . 1 . 259 . . 73 VAL N . 19971 1 833 . 1 1 74 74 ALA H H 1 9.299 0.008 . 1 . 15 . . 74 ALA H . 19971 1 834 . 1 1 74 74 ALA HA H 1 4.555 0.021 . 1 . 696 . . 74 ALA HA . 19971 1 835 . 1 1 74 74 ALA HB1 H 1 1.431 0.011 . 1 . 697 . . 74 ALA HB1 . 19971 1 836 . 1 1 74 74 ALA HB2 H 1 1.431 0.011 . 1 . 697 . . 74 ALA HB2 . 19971 1 837 . 1 1 74 74 ALA HB3 H 1 1.431 0.011 . 1 . 697 . . 74 ALA HB3 . 19971 1 838 . 1 1 74 74 ALA C C 13 176.786 0.0 . 1 . 1148 . . 74 ALA C . 19971 1 839 . 1 1 74 74 ALA CA C 13 53.265 0.061 . 1 . 396 . . 74 ALA CA . 19971 1 840 . 1 1 74 74 ALA CB C 13 18.300 0.049 . 1 . 397 . . 74 ALA CB . 19971 1 841 . 1 1 74 74 ALA N N 15 128.823 0.033 . 1 . 16 . . 74 ALA N . 19971 1 842 . 1 1 75 75 GLY H H 1 7.927 0.004 . 1 . 254 . . 75 GLY H . 19971 1 843 . 1 1 75 75 GLY HA2 H 1 4.060 0.009 . 2 . 839 . . 75 GLY HA2 . 19971 1 844 . 1 1 75 75 GLY HA3 H 1 3.087 0.016 . 2 . 840 . . 75 GLY HA3 . 19971 1 845 . 1 1 75 75 GLY C C 13 170.903 0.0 . 1 . 1149 . . 75 GLY C . 19971 1 846 . 1 1 75 75 GLY CA C 13 43.392 0.05 . 1 . 395 . . 75 GLY CA . 19971 1 847 . 1 1 75 75 GLY N N 15 114.098 0.073 . 1 . 255 . . 75 GLY N . 19971 1 848 . 1 1 76 76 ALA H H 1 7.864 0.006 . 1 . 90 . . 76 ALA H . 19971 1 849 . 1 1 76 76 ALA HA H 1 4.106 0.017 . 1 . 698 . . 76 ALA HA . 19971 1 850 . 1 1 76 76 ALA HB1 H 1 0.968 0.009 . 1 . 699 . . 76 ALA HB1 . 19971 1 851 . 1 1 76 76 ALA HB2 H 1 0.968 0.009 . 1 . 699 . . 76 ALA HB2 . 19971 1 852 . 1 1 76 76 ALA HB3 H 1 0.968 0.009 . 1 . 699 . . 76 ALA HB3 . 19971 1 853 . 1 1 76 76 ALA CA C 13 50.088 0.062 . 1 . 475 . . 76 ALA CA . 19971 1 854 . 1 1 76 76 ALA CB C 13 19.051 0.05 . 1 . 476 . . 76 ALA CB . 19971 1 855 . 1 1 76 76 ALA N N 15 123.357 0.051 . 1 . 91 . . 76 ALA N . 19971 1 856 . 1 1 77 77 TYR H H 1 8.444 0.007 . 1 . 469 . . 77 TYR H . 19971 1 857 . 1 1 77 77 TYR HA H 1 4.944 0.011 . 1 . 702 . . 77 TYR HA . 19971 1 858 . 1 1 77 77 TYR HB2 H 1 2.777 0.053 . 2 . 703 . . 77 TYR HB2 . 19971 1 859 . 1 1 77 77 TYR HB3 H 1 2.700 0.021 . 2 . 704 . . 77 TYR HB3 . 19971 1 860 . 1 1 77 77 TYR HD1 H 1 6.845 0.006 . 3 . 1619 . . 77 TYR HD1 . 19971 1 861 . 1 1 77 77 TYR HD2 H 1 6.845 0.006 . 3 . 1619 . . 77 TYR HD2 . 19971 1 862 . 1 1 77 77 TYR HE1 H 1 6.840 0.009 . 3 . 1621 . . 77 TYR HE1 . 19971 1 863 . 1 1 77 77 TYR HE2 H 1 6.840 0.009 . 3 . 1621 . . 77 TYR HE2 . 19971 1 864 . 1 1 77 77 TYR C C 13 174.775 0.0 . 1 . 1150 . . 77 TYR C . 19971 1 865 . 1 1 77 77 TYR CA C 13 56.362 0.054 . 1 . 478 . . 77 TYR CA . 19971 1 866 . 1 1 77 77 TYR CB C 13 40.567 0.133 . 1 . 477 . . 77 TYR CB . 19971 1 867 . 1 1 77 77 TYR CD1 C 13 132.596 0.068 . 3 . 1618 . . 77 TYR CD1 . 19971 1 868 . 1 1 77 77 TYR CD2 C 13 132.596 0.068 . 3 . 1618 . . 77 TYR CD2 . 19971 1 869 . 1 1 77 77 TYR CE1 C 13 118.274 0.058 . 3 . 1620 . . 77 TYR CE1 . 19971 1 870 . 1 1 77 77 TYR CE2 C 13 118.274 0.058 . 3 . 1620 . . 77 TYR CE2 . 19971 1 871 . 1 1 77 77 TYR N N 15 124.299 0.07 . 1 . 470 . . 77 TYR N . 19971 1 872 . 1 1 78 78 LYS H H 1 9.085 0.006 . 1 . 224 . . 78 LYS H . 19971 1 873 . 1 1 78 78 LYS HA H 1 4.589 0.014 . 1 . 706 . . 78 LYS HA . 19971 1 874 . 1 1 78 78 LYS HB2 H 1 1.777 0.015 . 2 . 705 . . 78 LYS HB2 . 19971 1 875 . 1 1 78 78 LYS HB3 H 1 2.362 0.009 . 2 . 1382 . . 78 LYS HB3 . 19971 1 876 . 1 1 78 78 LYS HG2 H 1 1.218 0.01 . 2 . 1383 . . 78 LYS HG2 . 19971 1 877 . 1 1 78 78 LYS HG3 H 1 1.682 0.008 . 2 . 1385 . . 78 LYS HG3 . 19971 1 878 . 1 1 78 78 LYS HD2 H 1 1.710 0.008 . 2 . 1386 . . 78 LYS HD2 . 19971 1 879 . 1 1 78 78 LYS HD3 H 1 1.710 0.007 . 2 . 1387 . . 78 LYS HD3 . 19971 1 880 . 1 1 78 78 LYS HE2 H 1 2.906 0.009 . 2 . 1390 . . 78 LYS HE2 . 19971 1 881 . 1 1 78 78 LYS HE3 H 1 2.907 0.007 . 2 . 1389 . . 78 LYS HE3 . 19971 1 882 . 1 1 78 78 LYS C C 13 177.527 0.0 . 1 . 1151 . . 78 LYS C . 19971 1 883 . 1 1 78 78 LYS CA C 13 56.119 0.065 . 1 . 325 . . 78 LYS CA . 19971 1 884 . 1 1 78 78 LYS CB C 13 34.154 0.067 . 1 . 326 . . 78 LYS CB . 19971 1 885 . 1 1 78 78 LYS CG C 13 27.455 0.027 . 1 . 1384 . . 78 LYS CG . 19971 1 886 . 1 1 78 78 LYS CD C 13 29.739 0.034 . 1 . 1388 . . 78 LYS CD . 19971 1 887 . 1 1 78 78 LYS CE C 13 42.321 0.09 . 1 . 1391 . . 78 LYS CE . 19971 1 888 . 1 1 78 78 LYS N N 15 123.598 0.059 . 1 . 225 . . 78 LYS N . 19971 1 889 . 1 1 79 79 ALA H H 1 11.654 0.01 . 1 . 149 . . 79 ALA H . 19971 1 890 . 1 1 79 79 ALA HA H 1 3.730 0.007 . 1 . 599 . . 79 ALA HA . 19971 1 891 . 1 1 79 79 ALA HB1 H 1 1.453 0.008 . 1 . 600 . . 79 ALA HB1 . 19971 1 892 . 1 1 79 79 ALA HB2 H 1 1.453 0.008 . 1 . 600 . . 79 ALA HB2 . 19971 1 893 . 1 1 79 79 ALA HB3 H 1 1.453 0.008 . 1 . 600 . . 79 ALA HB3 . 19971 1 894 . 1 1 79 79 ALA C C 13 179.902 0.0 . 1 . 1152 . . 79 ALA C . 19971 1 895 . 1 1 79 79 ALA CA C 13 56.953 0.01 . 1 . 324 . . 79 ALA CA . 19971 1 896 . 1 1 79 79 ALA CB C 13 17.370 0.041 . 1 . 323 . . 79 ALA CB . 19971 1 897 . 1 1 79 79 ALA N N 15 129.562 0.041 . 1 . 150 . . 79 ALA N . 19971 1 898 . 1 1 80 80 THR H H 1 8.853 0.009 . 1 . 240 . . 80 THR H . 19971 1 899 . 1 1 80 80 THR HA H 1 3.905 0.007 . 1 . 708 . . 80 THR HA . 19971 1 900 . 1 1 80 80 THR HB H 1 4.091 0.005 . 1 . 707 . . 80 THR HB . 19971 1 901 . 1 1 80 80 THR HG21 H 1 1.260 0.009 . 1 . 918 . . 80 THR HG21 . 19971 1 902 . 1 1 80 80 THR HG22 H 1 1.260 0.009 . 1 . 918 . . 80 THR HG22 . 19971 1 903 . 1 1 80 80 THR HG23 H 1 1.260 0.009 . 1 . 918 . . 80 THR HG23 . 19971 1 904 . 1 1 80 80 THR C C 13 176.958 0.0 . 1 . 1153 . . 80 THR C . 19971 1 905 . 1 1 80 80 THR CA C 13 65.388 0.058 . 1 . 322 . . 80 THR CA . 19971 1 906 . 1 1 80 80 THR CB C 13 68.389 0.032 . 1 . 321 . . 80 THR CB . 19971 1 907 . 1 1 80 80 THR CG2 C 13 21.573 0.064 . 1 . 876 . . 80 THR CG2 . 19971 1 908 . 1 1 80 80 THR N N 15 109.301 0.049 . 1 . 241 . . 80 THR N . 19971 1 909 . 1 1 81 81 ASP H H 1 7.022 0.01 . 1 . 17 . . 81 ASP H . 19971 1 910 . 1 1 81 81 ASP HA H 1 4.491 0.011 . 1 . 710 . . 81 ASP HA . 19971 1 911 . 1 1 81 81 ASP HB2 H 1 2.932 0.104 . 2 . 709 . . 81 ASP HB2 . 19971 1 912 . 1 1 81 81 ASP HB3 H 1 3.141 0.007 . 2 . 1392 . . 81 ASP HB3 . 19971 1 913 . 1 1 81 81 ASP C C 13 177.691 0.0 . 1 . 1154 . . 81 ASP C . 19971 1 914 . 1 1 81 81 ASP CA C 13 57.325 0.062 . 1 . 410 . . 81 ASP CA . 19971 1 915 . 1 1 81 81 ASP CB C 13 41.863 0.155 . 1 . 411 . . 81 ASP CB . 19971 1 916 . 1 1 81 81 ASP N N 15 121.335 0.06 . 1 . 18 . . 81 ASP N . 19971 1 917 . 1 1 82 82 LEU H H 1 8.338 0.004 . 1 . 120 . . 82 LEU H . 19971 1 918 . 1 1 82 82 LEU HA H 1 3.751 0.013 . 1 . 607 . . 82 LEU HA . 19971 1 919 . 1 1 82 82 LEU HB2 H 1 1.967 0.017 . 2 . 1393 . . 82 LEU HB2 . 19971 1 920 . 1 1 82 82 LEU HB3 H 1 1.491 0.34 . 2 . 1394 . . 82 LEU HB3 . 19971 1 921 . 1 1 82 82 LEU HG H 1 1.737 0.005 . 1 . 1397 . . 82 LEU HG . 19971 1 922 . 1 1 82 82 LEU HD11 H 1 0.757 0.019 . 2 . 1395 . . 82 LEU HD11 . 19971 1 923 . 1 1 82 82 LEU HD12 H 1 0.757 0.019 . 2 . 1395 . . 82 LEU HD12 . 19971 1 924 . 1 1 82 82 LEU HD13 H 1 0.757 0.019 . 2 . 1395 . . 82 LEU HD13 . 19971 1 925 . 1 1 82 82 LEU HD21 H 1 0.607 0.009 . 2 . 1396 . . 82 LEU HD21 . 19971 1 926 . 1 1 82 82 LEU HD22 H 1 0.607 0.009 . 2 . 1396 . . 82 LEU HD22 . 19971 1 927 . 1 1 82 82 LEU HD23 H 1 0.607 0.009 . 2 . 1396 . . 82 LEU HD23 . 19971 1 928 . 1 1 82 82 LEU C C 13 178.385 0.0 . 1 . 1155 . . 82 LEU C . 19971 1 929 . 1 1 82 82 LEU CA C 13 57.837 0.052 . 1 . 456 . . 82 LEU CA . 19971 1 930 . 1 1 82 82 LEU CB C 13 41.601 0.029 . 1 . 455 . . 82 LEU CB . 19971 1 931 . 1 1 82 82 LEU CG C 13 26.309 0.058 . 1 . 1398 . . 82 LEU CG . 19971 1 932 . 1 1 82 82 LEU CD1 C 13 23.792 0.027 . 2 . 1399 . . 82 LEU CD1 . 19971 1 933 . 1 1 82 82 LEU CD2 C 13 26.768 0.065 . 2 . 1400 . . 82 LEU CD2 . 19971 1 934 . 1 1 82 82 LEU N N 15 119.346 0.027 . 1 . 121 . . 82 LEU N . 19971 1 935 . 1 1 83 83 LYS H H 1 8.144 0.008 . 1 . 112 . . 83 LYS H . 19971 1 936 . 1 1 83 83 LYS HA H 1 3.737 0.005 . 1 . 919 . . 83 LYS HA . 19971 1 937 . 1 1 83 83 LYS HB2 H 1 1.757 0.007 . 2 . 920 . . 83 LYS HB2 . 19971 1 938 . 1 1 83 83 LYS HB3 H 1 1.828 0.004 . 2 . 921 . . 83 LYS HB3 . 19971 1 939 . 1 1 83 83 LYS HG2 H 1 1.428 0.007 . 2 . 922 . . 83 LYS HG2 . 19971 1 940 . 1 1 83 83 LYS HG3 H 1 1.430 0.008 . 2 . 923 . . 83 LYS HG3 . 19971 1 941 . 1 1 83 83 LYS HD2 H 1 1.683 0.009 . 2 . 1401 . . 83 LYS HD2 . 19971 1 942 . 1 1 83 83 LYS HD3 H 1 1.680 0.005 . 2 . 1402 . . 83 LYS HD3 . 19971 1 943 . 1 1 83 83 LYS HE2 H 1 2.945 0.016 . 2 . 1405 . . 83 LYS HE2 . 19971 1 944 . 1 1 83 83 LYS HE3 H 1 2.945 0.016 . 2 . 1404 . . 83 LYS HE3 . 19971 1 945 . 1 1 83 83 LYS C C 13 178.180 0.0 . 1 . 1156 . . 83 LYS C . 19971 1 946 . 1 1 83 83 LYS CA C 13 59.143 0.08 . 1 . 332 . . 83 LYS CA . 19971 1 947 . 1 1 83 83 LYS CB C 13 32.425 0.049 . 1 . 331 . . 83 LYS CB . 19971 1 948 . 1 1 83 83 LYS CG C 13 25.140 0.039 . 1 . 877 . . 83 LYS CG . 19971 1 949 . 1 1 83 83 LYS CD C 13 29.346 0.065 . 1 . 1403 . . 83 LYS CD . 19971 1 950 . 1 1 83 83 LYS CE C 13 42.348 0.032 . 1 . 1406 . . 83 LYS CE . 19971 1 951 . 1 1 83 83 LYS N N 15 117.263 0.027 . 1 . 113 . . 83 LYS N . 19971 1 952 . 1 1 84 84 ARG H H 1 7.240 0.015 . 1 . 202 . . 84 ARG H . 19971 1 953 . 1 1 84 84 ARG HA H 1 4.035 0.004 . 1 . 604 . . 84 ARG HA . 19971 1 954 . 1 1 84 84 ARG HB2 H 1 1.945 0.01 . 2 . 605 . . 84 ARG HB2 . 19971 1 955 . 1 1 84 84 ARG HB3 H 1 2.020 0.007 . 2 . 606 . . 84 ARG HB3 . 19971 1 956 . 1 1 84 84 ARG HG2 H 1 1.727 0.008 . 2 . 1001 . . 84 ARG HG2 . 19971 1 957 . 1 1 84 84 ARG HG3 H 1 1.568 0.007 . 2 . 1002 . . 84 ARG HG3 . 19971 1 958 . 1 1 84 84 ARG HD2 H 1 3.315 0.013 . 2 . 999 . . 84 ARG HD2 . 19971 1 959 . 1 1 84 84 ARG HD3 H 1 3.232 0.009 . 2 . 1000 . . 84 ARG HD3 . 19971 1 960 . 1 1 84 84 ARG C C 13 178.309 0.0 . 1 . 1157 . . 84 ARG C . 19971 1 961 . 1 1 84 84 ARG CA C 13 58.623 0.05 . 1 . 329 . . 84 ARG CA . 19971 1 962 . 1 1 84 84 ARG CB C 13 30.276 0.058 . 1 . 330 . . 84 ARG CB . 19971 1 963 . 1 1 84 84 ARG CG C 13 27.489 0.046 . 1 . 1407 . . 84 ARG CG . 19971 1 964 . 1 1 84 84 ARG CD C 13 43.145 0.012 . 1 . 1003 . . 84 ARG CD . 19971 1 965 . 1 1 84 84 ARG N N 15 117.903 0.075 . 1 . 203 . . 84 ARG N . 19971 1 966 . 1 1 85 85 MET H H 1 8.104 0.01 . 1 . 248 . . 85 MET H . 19971 1 967 . 1 1 85 85 MET HA H 1 4.102 0.008 . 1 . 711 . . 85 MET HA . 19971 1 968 . 1 1 85 85 MET HB2 H 1 2.252 0.009 . 2 . 712 . . 85 MET HB2 . 19971 1 969 . 1 1 85 85 MET HB3 H 1 1.944 0.006 . 2 . 713 . . 85 MET HB3 . 19971 1 970 . 1 1 85 85 MET HG2 H 1 2.629 0.011 . 2 . 924 . . 85 MET HG2 . 19971 1 971 . 1 1 85 85 MET HG3 H 1 2.475 0.007 . 2 . 925 . . 85 MET HG3 . 19971 1 972 . 1 1 85 85 MET C C 13 179.108 0.0 . 1 . 1158 . . 85 MET C . 19971 1 973 . 1 1 85 85 MET CA C 13 58.435 0.042 . 1 . 327 . . 85 MET CA . 19971 1 974 . 1 1 85 85 MET CB C 13 34.824 0.055 . 1 . 328 . . 85 MET CB . 19971 1 975 . 1 1 85 85 MET CG C 13 31.817 0.085 . 1 . 878 . . 85 MET CG . 19971 1 976 . 1 1 85 85 MET N N 15 117.328 0.017 . 1 . 249 . . 85 MET N . 19971 1 977 . 1 1 86 86 GLY H H 1 8.273 0.007 . 1 . 19 . . 86 GLY H . 19971 1 978 . 1 1 86 86 GLY HA2 H 1 3.671 0.007 . 2 . 843 . . 86 GLY HA2 . 19971 1 979 . 1 1 86 86 GLY HA3 H 1 4.280 0.012 . 2 . 844 . . 86 GLY HA3 . 19971 1 980 . 1 1 86 86 GLY C C 13 172.601 0.0 . 1 . 1159 . . 86 GLY C . 19971 1 981 . 1 1 86 86 GLY CA C 13 46.928 0.028 . 1 . 338 . . 86 GLY CA . 19971 1 982 . 1 1 86 86 GLY N N 15 107.755 0.045 . 1 . 20 . . 86 GLY N . 19971 1 983 . 1 1 87 87 ILE H H 1 7.357 0.01 . 1 . 71 . . 87 ILE H . 19971 1 984 . 1 1 87 87 ILE HA H 1 4.975 0.007 . 1 . 714 . . 87 ILE HA . 19971 1 985 . 1 1 87 87 ILE HB H 1 1.841 0.007 . 1 . 715 . . 87 ILE HB . 19971 1 986 . 1 1 87 87 ILE HG12 H 1 1.399 0.005 . 2 . 1005 . . 87 ILE HG12 . 19971 1 987 . 1 1 87 87 ILE HG13 H 1 1.031 0.006 . 2 . 1006 . . 87 ILE HG13 . 19971 1 988 . 1 1 87 87 ILE HG21 H 1 0.786 0.01 . 1 . 926 . . 87 ILE HG21 . 19971 1 989 . 1 1 87 87 ILE HG22 H 1 0.786 0.01 . 1 . 926 . . 87 ILE HG22 . 19971 1 990 . 1 1 87 87 ILE HG23 H 1 0.786 0.01 . 1 . 926 . . 87 ILE HG23 . 19971 1 991 . 1 1 87 87 ILE HD11 H 1 0.837 0.005 . 1 . 1004 . . 87 ILE HD11 . 19971 1 992 . 1 1 87 87 ILE HD12 H 1 0.837 0.005 . 1 . 1004 . . 87 ILE HD12 . 19971 1 993 . 1 1 87 87 ILE HD13 H 1 0.837 0.005 . 1 . 1004 . . 87 ILE HD13 . 19971 1 994 . 1 1 87 87 ILE C C 13 173.521 0.0 . 1 . 1160 . . 87 ILE C . 19971 1 995 . 1 1 87 87 ILE CA C 13 59.947 0.064 . 1 . 336 . . 87 ILE CA . 19971 1 996 . 1 1 87 87 ILE CB C 13 41.313 0.043 . 1 . 337 . . 87 ILE CB . 19971 1 997 . 1 1 87 87 ILE CG1 C 13 27.964 0.067 . 1 . 1007 . . 87 ILE CG1 . 19971 1 998 . 1 1 87 87 ILE CG2 C 13 16.430 0.064 . 1 . 1008 . . 87 ILE CG2 . 19971 1 999 . 1 1 87 87 ILE CD1 C 13 13.847 0.101 . 1 . 1410 . . 87 ILE CD1 . 19971 1 1000 . 1 1 87 87 ILE N N 15 120.798 0.041 . 1 . 72 . . 87 ILE N . 19971 1 1001 . 1 1 88 88 VAL H H 1 8.038 0.004 . 1 . 65 . . 88 VAL H . 19971 1 1002 . 1 1 88 88 VAL HA H 1 4.634 0.011 . 1 . 716 . . 88 VAL HA . 19971 1 1003 . 1 1 88 88 VAL HB H 1 2.104 0.008 . 1 . 717 . . 88 VAL HB . 19971 1 1004 . 1 1 88 88 VAL HG11 H 1 0.801 0.004 . 2 . 1519 . . 88 VAL HG11 . 19971 1 1005 . 1 1 88 88 VAL HG12 H 1 0.801 0.004 . 2 . 1519 . . 88 VAL HG12 . 19971 1 1006 . 1 1 88 88 VAL HG13 H 1 0.801 0.004 . 2 . 1519 . . 88 VAL HG13 . 19971 1 1007 . 1 1 88 88 VAL HG21 H 1 0.695 0.013 . 2 . 1518 . . 88 VAL HG21 . 19971 1 1008 . 1 1 88 88 VAL HG22 H 1 0.695 0.013 . 2 . 1518 . . 88 VAL HG22 . 19971 1 1009 . 1 1 88 88 VAL HG23 H 1 0.695 0.013 . 2 . 1518 . . 88 VAL HG23 . 19971 1 1010 . 1 1 88 88 VAL C C 13 174.207 0.0 . 1 . 1161 . . 88 VAL C . 19971 1 1011 . 1 1 88 88 VAL CA C 13 59.115 0.07 . 1 . 335 . . 88 VAL CA . 19971 1 1012 . 1 1 88 88 VAL CB C 13 35.471 0.063 . 1 . 334 . . 88 VAL CB . 19971 1 1013 . 1 1 88 88 VAL CG1 C 13 19.918 0.038 . 2 . 1009 . . 88 VAL CG1 . 19971 1 1014 . 1 1 88 88 VAL CG2 C 13 22.963 0.049 . 2 . 1010 . . 88 VAL CG2 . 19971 1 1015 . 1 1 88 88 VAL N N 15 116.925 0.064 . 1 . 66 . . 88 VAL N . 19971 1 1016 . 1 1 89 89 THR H H 1 9.131 0.016 . 1 . 204 . . 89 THR H . 19971 1 1017 . 1 1 89 89 THR HA H 1 4.259 0.014 . 1 . 860 . . 89 THR HA . 19971 1 1018 . 1 1 89 89 THR HB H 1 4.008 0.004 . 1 . 861 . . 89 THR HB . 19971 1 1019 . 1 1 89 89 THR HG21 H 1 1.307 0.011 . 1 . 927 . . 89 THR HG21 . 19971 1 1020 . 1 1 89 89 THR HG22 H 1 1.307 0.011 . 1 . 927 . . 89 THR HG22 . 19971 1 1021 . 1 1 89 89 THR HG23 H 1 1.307 0.011 . 1 . 927 . . 89 THR HG23 . 19971 1 1022 . 1 1 89 89 THR C C 13 173.780 0.0 . 1 . 1162 . . 89 THR C . 19971 1 1023 . 1 1 89 89 THR CA C 13 63.363 0.067 . 1 . 333 . . 89 THR CA . 19971 1 1024 . 1 1 89 89 THR CB C 13 69.451 0.071 . 1 . 454 . . 89 THR CB . 19971 1 1025 . 1 1 89 89 THR CG2 C 13 21.658 0.041 . 1 . 1411 . . 89 THR CG2 . 19971 1 1026 . 1 1 89 89 THR N N 15 119.870 0.066 . 1 . 205 . . 89 THR N . 19971 1 1027 . 1 1 90 90 SER H H 1 8.273 0.009 . 1 . 110 . . 90 SER H . 19971 1 1028 . 1 1 90 90 SER HA H 1 4.969 0.012 . 1 . 721 . . 90 SER HA . 19971 1 1029 . 1 1 90 90 SER HB2 H 1 4.009 0.012 . 2 . 722 . . 90 SER HB2 . 19971 1 1030 . 1 1 90 90 SER HB3 H 1 5.084 0.001 . 2 . 1561 . . 90 SER HB3 . 19971 1 1031 . 1 1 90 90 SER C C 13 176.806 0.0 . 1 . 1163 . . 90 SER C . 19971 1 1032 . 1 1 90 90 SER CA C 13 59.063 0.055 . 1 . 370 . . 90 SER CA . 19971 1 1033 . 1 1 90 90 SER CB C 13 67.312 0.026 . 1 . 371 . . 90 SER CB . 19971 1 1034 . 1 1 90 90 SER N N 15 122.924 0.061 . 1 . 111 . . 90 SER N . 19971 1 1035 . 1 1 91 91 LEU H H 1 9.584 0.008 . 1 . 59 . . 91 LEU H . 19971 1 1036 . 1 1 91 91 LEU HA H 1 4.215 0.015 . 1 . 724 . . 91 LEU HA . 19971 1 1037 . 1 1 91 91 LEU HB2 H 1 1.634 0.084 . 2 . 723 . . 91 LEU HB2 . 19971 1 1038 . 1 1 91 91 LEU HB3 H 1 1.924 0.008 . 2 . 1409 . . 91 LEU HB3 . 19971 1 1039 . 1 1 91 91 LEU HG H 1 1.795 0.008 . 1 . 1414 . . 91 LEU HG . 19971 1 1040 . 1 1 91 91 LEU HD11 H 1 0.987 0.009 . 2 . 1412 . . 91 LEU HD11 . 19971 1 1041 . 1 1 91 91 LEU HD12 H 1 0.987 0.009 . 2 . 1412 . . 91 LEU HD12 . 19971 1 1042 . 1 1 91 91 LEU HD13 H 1 0.987 0.009 . 2 . 1412 . . 91 LEU HD13 . 19971 1 1043 . 1 1 91 91 LEU HD21 H 1 0.897 0.006 . 2 . 1413 . . 91 LEU HD21 . 19971 1 1044 . 1 1 91 91 LEU HD22 H 1 0.897 0.006 . 2 . 1413 . . 91 LEU HD22 . 19971 1 1045 . 1 1 91 91 LEU HD23 H 1 0.897 0.006 . 2 . 1413 . . 91 LEU HD23 . 19971 1 1046 . 1 1 91 91 LEU C C 13 178.910 0.0 . 1 . 1164 . . 91 LEU C . 19971 1 1047 . 1 1 91 91 LEU CA C 13 57.475 0.147 . 1 . 393 . . 91 LEU CA . 19971 1 1048 . 1 1 91 91 LEU CB C 13 42.275 0.056 . 1 . 394 . . 91 LEU CB . 19971 1 1049 . 1 1 91 91 LEU CG C 13 27.470 0.034 . 1 . 1415 . . 91 LEU CG . 19971 1 1050 . 1 1 91 91 LEU CD1 C 13 22.993 0.086 . 2 . 1416 . . 91 LEU CD1 . 19971 1 1051 . 1 1 91 91 LEU CD2 C 13 25.022 0.054 . 2 . 1417 . . 91 LEU CD2 . 19971 1 1052 . 1 1 91 91 LEU N N 15 121.955 0.043 . 1 . 60 . . 91 LEU N . 19971 1 1053 . 1 1 92 92 GLU H H 1 7.432 0.006 . 1 . 122 . . 92 GLU H . 19971 1 1054 . 1 1 92 92 GLU HA H 1 3.914 0.011 . 1 . 725 . . 92 GLU HA . 19971 1 1055 . 1 1 92 92 GLU HB2 H 1 2.581 0.004 . 2 . 1418 . . 92 GLU HB2 . 19971 1 1056 . 1 1 92 92 GLU HB3 H 1 1.802 0.007 . 2 . 1419 . . 92 GLU HB3 . 19971 1 1057 . 1 1 92 92 GLU HG2 H 1 2.542 0.023 . 2 . 928 . . 92 GLU HG2 . 19971 1 1058 . 1 1 92 92 GLU HG3 H 1 2.326 0.01 . 2 . 929 . . 92 GLU HG3 . 19971 1 1059 . 1 1 92 92 GLU C C 13 176.091 0.0 . 1 . 1165 . . 92 GLU C . 19971 1 1060 . 1 1 92 92 GLU CA C 13 58.597 0.073 . 1 . 391 . . 92 GLU CA . 19971 1 1061 . 1 1 92 92 GLU CB C 13 28.737 0.023 . 1 . 392 . . 92 GLU CB . 19971 1 1062 . 1 1 92 92 GLU CG C 13 36.505 0.071 . 1 . 879 . . 92 GLU CG . 19971 1 1063 . 1 1 92 92 GLU N N 15 119.001 0.062 . 1 . 123 . . 92 GLU N . 19971 1 1064 . 1 1 93 93 GLY H H 1 7.545 0.006 . 1 . 264 . . 93 GLY H . 19971 1 1065 . 1 1 93 93 GLY HA2 H 1 4.580 0.019 . 2 . 614 . . 93 GLY HA2 . 19971 1 1066 . 1 1 93 93 GLY HA3 H 1 3.412 0.012 . 2 . 862 . . 93 GLY HA3 . 19971 1 1067 . 1 1 93 93 GLY C C 13 174.980 0.0 . 1 . 1166 . . 93 GLY C . 19971 1 1068 . 1 1 93 93 GLY CA C 13 44.562 0.037 . 1 . 390 . . 93 GLY CA . 19971 1 1069 . 1 1 93 93 GLY N N 15 106.666 0.047 . 1 . 265 . . 93 GLY N . 19971 1 1070 . 1 1 94 94 SER H H 1 8.437 0.012 . 1 . 226 . . 94 SER H . 19971 1 1071 . 1 1 94 94 SER HA H 1 4.763 0.014 . 1 . 726 . . 94 SER HA . 19971 1 1072 . 1 1 94 94 SER HB2 H 1 3.962 0.011 . 2 . 727 . . 94 SER HB2 . 19971 1 1073 . 1 1 94 94 SER HB3 H 1 3.908 0.002 . 2 . 1420 . . 94 SER HB3 . 19971 1 1074 . 1 1 94 94 SER C C 13 175.482 0.0 . 1 . 1167 . . 94 SER C . 19971 1 1075 . 1 1 94 94 SER CA C 13 59.762 0.042 . 1 . 388 . . 94 SER CA . 19971 1 1076 . 1 1 94 94 SER CB C 13 63.735 0.023 . 1 . 389 . . 94 SER CB . 19971 1 1077 . 1 1 94 94 SER N N 15 117.390 0.05 . 1 . 227 . . 94 SER N . 19971 1 1078 . 1 1 95 95 THR H H 1 8.888 0.008 . 1 . 88 . . 95 THR H . 19971 1 1079 . 1 1 95 95 THR HA H 1 5.041 0.011 . 1 . 728 . . 95 THR HA . 19971 1 1080 . 1 1 95 95 THR HB H 1 4.118 0.01 . 1 . 729 . . 95 THR HB . 19971 1 1081 . 1 1 95 95 THR HG21 H 1 1.258 0.009 . 1 . 930 . . 95 THR HG21 . 19971 1 1082 . 1 1 95 95 THR HG22 H 1 1.258 0.009 . 1 . 930 . . 95 THR HG22 . 19971 1 1083 . 1 1 95 95 THR HG23 H 1 1.258 0.009 . 1 . 930 . . 95 THR HG23 . 19971 1 1084 . 1 1 95 95 THR C C 13 174.490 0.0 . 1 . 1168 . . 95 THR C . 19971 1 1085 . 1 1 95 95 THR CA C 13 61.428 0.042 . 1 . 428 . . 95 THR CA . 19971 1 1086 . 1 1 95 95 THR CB C 13 71.128 0.092 . 1 . 429 . . 95 THR CB . 19971 1 1087 . 1 1 95 95 THR CG2 C 13 22.167 0.024 . 1 . 880 . . 95 THR CG2 . 19971 1 1088 . 1 1 95 95 THR N N 15 116.514 0.058 . 1 . 89 . . 95 THR N . 19971 1 1089 . 1 1 96 96 ILE H H 1 9.107 0.009 . 1 . 176 . . 96 ILE H . 19971 1 1090 . 1 1 96 96 ILE HA H 1 4.454 0.006 . 1 . 1421 . . 96 ILE HA . 19971 1 1091 . 1 1 96 96 ILE HB H 1 1.592 0.011 . 1 . 1422 . . 96 ILE HB . 19971 1 1092 . 1 1 96 96 ILE HG12 H 1 0.610 0.108 . 2 . 1424 . . 96 ILE HG12 . 19971 1 1093 . 1 1 96 96 ILE HG13 H 1 1.259 0.005 . 2 . 1425 . . 96 ILE HG13 . 19971 1 1094 . 1 1 96 96 ILE HG21 H 1 0.436 0.012 . 1 . 1423 . . 96 ILE HG21 . 19971 1 1095 . 1 1 96 96 ILE HG22 H 1 0.436 0.012 . 1 . 1423 . . 96 ILE HG22 . 19971 1 1096 . 1 1 96 96 ILE HG23 H 1 0.436 0.012 . 1 . 1423 . . 96 ILE HG23 . 19971 1 1097 . 1 1 96 96 ILE HD11 H 1 0.545 0.009 . 1 . 1427 . . 96 ILE HD11 . 19971 1 1098 . 1 1 96 96 ILE HD12 H 1 0.545 0.009 . 1 . 1427 . . 96 ILE HD12 . 19971 1 1099 . 1 1 96 96 ILE HD13 H 1 0.545 0.009 . 1 . 1427 . . 96 ILE HD13 . 19971 1 1100 . 1 1 96 96 ILE CA C 13 58.233 0.051 . 1 . 572 . . 96 ILE CA . 19971 1 1101 . 1 1 96 96 ILE CB C 13 41.086 0.047 . 1 . 573 . . 96 ILE CB . 19971 1 1102 . 1 1 96 96 ILE CG1 C 13 26.890 0.044 . 1 . 1426 . . 96 ILE CG1 . 19971 1 1103 . 1 1 96 96 ILE CG2 C 13 18.543 0.064 . 1 . 1429 . . 96 ILE CG2 . 19971 1 1104 . 1 1 96 96 ILE CD1 C 13 12.897 0.229 . 1 . 1428 . . 96 ILE CD1 . 19971 1 1105 . 1 1 96 96 ILE N N 15 122.884 0.04 . 1 . 177 . . 96 ILE N . 19971 1 1106 . 1 1 97 97 PRO HA H 1 4.858 0.017 . 1 . 730 . . 97 PRO HA . 19971 1 1107 . 1 1 97 97 PRO HB2 H 1 2.179 0.011 . 2 . 731 . . 97 PRO HB2 . 19971 1 1108 . 1 1 97 97 PRO HB3 H 1 1.805 0.011 . 2 . 732 . . 97 PRO HB3 . 19971 1 1109 . 1 1 97 97 PRO HG2 H 1 2.077 0.014 . 2 . 1430 . . 97 PRO HG2 . 19971 1 1110 . 1 1 97 97 PRO HG3 H 1 2.077 0.015 . 2 . 1431 . . 97 PRO HG3 . 19971 1 1111 . 1 1 97 97 PRO HD2 H 1 3.506 0.007 . 2 . 1433 . . 97 PRO HD2 . 19971 1 1112 . 1 1 97 97 PRO HD3 H 1 3.505 0.008 . 2 . 1434 . . 97 PRO HD3 . 19971 1 1113 . 1 1 97 97 PRO C C 13 175.026 0.0 . 1 . 1169 . . 97 PRO C . 19971 1 1114 . 1 1 97 97 PRO CA C 13 61.980 0.07 . 1 . 574 . . 97 PRO CA . 19971 1 1115 . 1 1 97 97 PRO CB C 13 32.193 0.078 . 1 . 575 . . 97 PRO CB . 19971 1 1116 . 1 1 97 97 PRO CG C 13 27.313 0.033 . 1 . 1432 . . 97 PRO CG . 19971 1 1117 . 1 1 97 97 PRO CD C 13 50.509 0.148 . 1 . 1435 . . 97 PRO CD . 19971 1 1118 . 1 1 98 98 ILE H H 1 8.091 0.018 . 1 . 25 . . 98 ILE H . 19971 1 1119 . 1 1 98 98 ILE HA H 1 4.757 0.015 . 1 . 733 . . 98 ILE HA . 19971 1 1120 . 1 1 98 98 ILE HB H 1 1.620 0.013 . 1 . 734 . . 98 ILE HB . 19971 1 1121 . 1 1 98 98 ILE HG12 H 1 1.319 0.026 . 2 . 1436 . . 98 ILE HG12 . 19971 1 1122 . 1 1 98 98 ILE HG13 H 1 1.186 0.009 . 2 . 1437 . . 98 ILE HG13 . 19971 1 1123 . 1 1 98 98 ILE HG21 H 1 0.699 0.014 . 1 . 1011 . . 98 ILE HG21 . 19971 1 1124 . 1 1 98 98 ILE HG22 H 1 0.699 0.014 . 1 . 1011 . . 98 ILE HG22 . 19971 1 1125 . 1 1 98 98 ILE HG23 H 1 0.699 0.014 . 1 . 1011 . . 98 ILE HG23 . 19971 1 1126 . 1 1 98 98 ILE HD11 H 1 0.548 0.013 . 1 . 1012 . . 98 ILE HD11 . 19971 1 1127 . 1 1 98 98 ILE HD12 H 1 0.548 0.013 . 1 . 1012 . . 98 ILE HD12 . 19971 1 1128 . 1 1 98 98 ILE HD13 H 1 0.548 0.013 . 1 . 1012 . . 98 ILE HD13 . 19971 1 1129 . 1 1 98 98 ILE C C 13 175.576 0.0 . 1 . 1170 . . 98 ILE C . 19971 1 1130 . 1 1 98 98 ILE CA C 13 58.331 0.046 . 1 . 379 . . 98 ILE CA . 19971 1 1131 . 1 1 98 98 ILE CB C 13 38.126 0.031 . 1 . 378 . . 98 ILE CB . 19971 1 1132 . 1 1 98 98 ILE CG1 C 13 26.249 0.021 . 1 . 1438 . . 98 ILE CG1 . 19971 1 1133 . 1 1 98 98 ILE CG2 C 13 18.238 0.058 . 1 . 881 . . 98 ILE CG2 . 19971 1 1134 . 1 1 98 98 ILE CD1 C 13 12.069 0.049 . 1 . 1013 . . 98 ILE CD1 . 19971 1 1135 . 1 1 98 98 ILE N N 15 123.020 0.078 . 1 . 26 . . 98 ILE N . 19971 1 1136 . 1 1 99 99 HIS H H 1 9.083 0.002 . 1 . 73 . . 99 HIS H . 19971 1 1137 . 1 1 99 99 HIS HA H 1 4.920 0.019 . 1 . 735 . . 99 HIS HA . 19971 1 1138 . 1 1 99 99 HIS HB2 H 1 3.215 0.005 . 2 . 736 . . 99 HIS HB2 . 19971 1 1139 . 1 1 99 99 HIS HB3 H 1 3.042 0.018 . 2 . 737 . . 99 HIS HB3 . 19971 1 1140 . 1 1 99 99 HIS C C 13 172.886 0.0 . 1 . 1171 . . 99 HIS C . 19971 1 1141 . 1 1 99 99 HIS CA C 13 54.426 0.089 . 1 . 408 . . 99 HIS CA . 19971 1 1142 . 1 1 99 99 HIS CB C 13 32.158 0.057 . 1 . 407 . . 99 HIS CB . 19971 1 1143 . 1 1 99 99 HIS N N 15 125.553 0.036 . 1 . 74 . . 99 HIS N . 19971 1 1144 . 1 1 100 100 GLY H H 1 8.224 0.015 . 1 . 218 . . 100 GLY H . 19971 1 1145 . 1 1 100 100 GLY HA2 H 1 3.665 0.008 . 2 . 738 . . 100 GLY HA2 . 19971 1 1146 . 1 1 100 100 GLY HA3 H 1 4.176 0.021 . 2 . 739 . . 100 GLY HA3 . 19971 1 1147 . 1 1 100 100 GLY C C 13 172.448 0.0 . 1 . 1172 . . 100 GLY C . 19971 1 1148 . 1 1 100 100 GLY CA C 13 44.871 0.085 . 1 . 406 . . 100 GLY CA . 19971 1 1149 . 1 1 100 100 GLY N N 15 105.999 0.089 . 1 . 219 . . 100 GLY N . 19971 1 1150 . 1 1 101 101 ASP H H 1 7.530 0.009 . 1 . 108 . . 101 ASP H . 19971 1 1151 . 1 1 101 101 ASP HA H 1 4.466 0.011 . 1 . 740 . . 101 ASP HA . 19971 1 1152 . 1 1 101 101 ASP HB2 H 1 2.657 0.004 . 2 . 741 . . 101 ASP HB2 . 19971 1 1153 . 1 1 101 101 ASP HB3 H 1 2.526 0.008 . 2 . 742 . . 101 ASP HB3 . 19971 1 1154 . 1 1 101 101 ASP C C 13 173.953 0.0 . 1 . 1173 . . 101 ASP C . 19971 1 1155 . 1 1 101 101 ASP CA C 13 55.800 0.045 . 1 . 435 . . 101 ASP CA . 19971 1 1156 . 1 1 101 101 ASP CB C 13 42.323 0.033 . 1 . 434 . . 101 ASP CB . 19971 1 1157 . 1 1 101 101 ASP N N 15 115.956 0.047 . 1 . 109 . . 101 ASP N . 19971 1 1158 . 1 1 102 102 ASN H H 1 8.065 0.004 . 1 . 194 . . 102 ASN H . 19971 1 1159 . 1 1 102 102 ASN HA H 1 4.756 0.002 . 1 . 1441 . . 102 ASN HA . 19971 1 1160 . 1 1 102 102 ASN HB2 H 1 2.801 0.005 . 2 . 1439 . . 102 ASN HB2 . 19971 1 1161 . 1 1 102 102 ASN HB3 H 1 2.627 0.008 . 2 . 1440 . . 102 ASN HB3 . 19971 1 1162 . 1 1 102 102 ASN HD21 H 1 6.830 0.005 . 1 . 1530 . . 102 ASN HD21 . 19971 1 1163 . 1 1 102 102 ASN HD22 H 1 7.594 0.006 . 1 . 1531 . . 102 ASN HD22 . 19971 1 1164 . 1 1 102 102 ASN CA C 13 51.188 0.088 . 1 . 444 . . 102 ASN CA . 19971 1 1165 . 1 1 102 102 ASN CB C 13 39.489 0.064 . 1 . 445 . . 102 ASN CB . 19971 1 1166 . 1 1 102 102 ASN CG C 13 177.758 0.006 . 1 . 1543 . . 102 ASN CG . 19971 1 1167 . 1 1 102 102 ASN N N 15 115.900 0.034 . 1 . 195 . . 102 ASN N . 19971 1 1168 . 1 1 102 102 ASN ND2 N 15 112.447 0.009 . 1 . 1529 . . 102 ASN ND2 . 19971 1 1169 . 1 1 103 103 PRO HA H 1 4.797 0.018 . 1 . 743 . . 103 PRO HA . 19971 1 1170 . 1 1 103 103 PRO HB2 H 1 2.377 0.007 . 2 . 744 . . 103 PRO HB2 . 19971 1 1171 . 1 1 103 103 PRO HB3 H 1 2.242 0.073 . 2 . 745 . . 103 PRO HB3 . 19971 1 1172 . 1 1 103 103 PRO HG2 H 1 1.907 0.006 . 2 . 1442 . . 103 PRO HG2 . 19971 1 1173 . 1 1 103 103 PRO HG3 H 1 1.772 0.007 . 2 . 1443 . . 103 PRO HG3 . 19971 1 1174 . 1 1 103 103 PRO HD2 H 1 3.474 0.014 . 2 . 1444 . . 103 PRO HD2 . 19971 1 1175 . 1 1 103 103 PRO HD3 H 1 3.613 0.011 . 2 . 1445 . . 103 PRO HD3 . 19971 1 1176 . 1 1 103 103 PRO C C 13 175.840 0.0 . 1 . 1174 . . 103 PRO C . 19971 1 1177 . 1 1 103 103 PRO CA C 13 63.230 0.031 . 1 . 576 . . 103 PRO CA . 19971 1 1178 . 1 1 103 103 PRO CB C 13 35.152 0.054 . 1 . 578 . . 103 PRO CB . 19971 1 1179 . 1 1 103 103 PRO CG C 13 25.120 0.07 . 1 . 1446 . . 103 PRO CG . 19971 1 1180 . 1 1 103 103 PRO CD C 13 50.554 0.011 . 1 . 1447 . . 103 PRO CD . 19971 1 1181 . 1 1 104 104 LEU H H 1 8.672 0.006 . 1 . 128 . . 104 LEU H . 19971 1 1182 . 1 1 104 104 LEU HA H 1 4.014 0.006 . 1 . 748 . . 104 LEU HA . 19971 1 1183 . 1 1 104 104 LEU HB2 H 1 1.339 0.007 . 2 . 747 . . 104 LEU HB2 . 19971 1 1184 . 1 1 104 104 LEU HB3 H 1 1.389 0.025 . 2 . 1448 . . 104 LEU HB3 . 19971 1 1185 . 1 1 104 104 LEU HG H 1 1.490 0.01 . 1 . 746 . . 104 LEU HG . 19971 1 1186 . 1 1 104 104 LEU HD11 H 1 0.720 0.011 . 2 . 1014 . . 104 LEU HD11 . 19971 1 1187 . 1 1 104 104 LEU HD12 H 1 0.720 0.011 . 2 . 1014 . . 104 LEU HD12 . 19971 1 1188 . 1 1 104 104 LEU HD13 H 1 0.720 0.011 . 2 . 1014 . . 104 LEU HD13 . 19971 1 1189 . 1 1 104 104 LEU HD21 H 1 0.626 0.008 . 2 . 1015 . . 104 LEU HD21 . 19971 1 1190 . 1 1 104 104 LEU HD22 H 1 0.626 0.008 . 2 . 1015 . . 104 LEU HD22 . 19971 1 1191 . 1 1 104 104 LEU HD23 H 1 0.626 0.008 . 2 . 1015 . . 104 LEU HD23 . 19971 1 1192 . 1 1 104 104 LEU C C 13 174.499 0.0 . 1 . 1175 . . 104 LEU C . 19971 1 1193 . 1 1 104 104 LEU CA C 13 55.263 0.071 . 1 . 577 . . 104 LEU CA . 19971 1 1194 . 1 1 104 104 LEU CB C 13 43.318 0.036 . 1 . 318 . . 104 LEU CB . 19971 1 1195 . 1 1 104 104 LEU CG C 13 26.688 0.019 . 1 . 1449 . . 104 LEU CG . 19971 1 1196 . 1 1 104 104 LEU CD1 C 13 24.693 0.031 . 2 . 1016 . . 104 LEU CD1 . 19971 1 1197 . 1 1 104 104 LEU CD2 C 13 25.364 0.034 . 2 . 1017 . . 104 LEU CD2 . 19971 1 1198 . 1 1 104 104 LEU N N 15 122.575 0.123 . 1 . 129 . . 104 LEU N . 19971 1 1199 . 1 1 105 105 GLU H H 1 8.314 0.007 . 1 . 270 . . 105 GLU H . 19971 1 1200 . 1 1 105 105 GLU HA H 1 4.841 0.021 . 1 . 1452 . . 105 GLU HA . 19971 1 1201 . 1 1 105 105 GLU HB2 H 1 1.512 0.006 . 2 . 1453 . . 105 GLU HB2 . 19971 1 1202 . 1 1 105 105 GLU HB3 H 1 0.869 0.011 . 2 . 1454 . . 105 GLU HB3 . 19971 1 1203 . 1 1 105 105 GLU HG2 H 1 1.946 0.004 . 2 . 1450 . . 105 GLU HG2 . 19971 1 1204 . 1 1 105 105 GLU HG3 H 1 1.934 0.014 . 2 . 1451 . . 105 GLU HG3 . 19971 1 1205 . 1 1 105 105 GLU C C 13 174.653 0.0 . 1 . 956 . . 105 GLU C . 19971 1 1206 . 1 1 105 105 GLU CA C 13 54.826 0.038 . 1 . 579 . . 105 GLU CA . 19971 1 1207 . 1 1 105 105 GLU CB C 13 31.571 0.039 . 1 . 317 . . 105 GLU CB . 19971 1 1208 . 1 1 105 105 GLU CG C 13 36.517 0.065 . 1 . 882 . . 105 GLU CG . 19971 1 1209 . 1 1 105 105 GLU N N 15 122.128 0.158 . 1 . 271 . . 105 GLU N . 19971 1 1210 . 1 1 106 106 VAL H H 1 8.228 0.015 . 1 . 104 . . 106 VAL H . 19971 1 1211 . 1 1 106 106 VAL HA H 1 4.038 0.009 . 1 . 864 . . 106 VAL HA . 19971 1 1212 . 1 1 106 106 VAL HB H 1 1.280 0.009 . 1 . 863 . . 106 VAL HB . 19971 1 1213 . 1 1 106 106 VAL HG11 H 1 -0.151 0.015 . 2 . 1019 . . 106 VAL HG11 . 19971 1 1214 . 1 1 106 106 VAL HG12 H 1 -0.151 0.015 . 2 . 1019 . . 106 VAL HG12 . 19971 1 1215 . 1 1 106 106 VAL HG13 H 1 -0.151 0.015 . 2 . 1019 . . 106 VAL HG13 . 19971 1 1216 . 1 1 106 106 VAL HG21 H 1 0.255 0.013 . 2 . 1018 . . 106 VAL HG21 . 19971 1 1217 . 1 1 106 106 VAL HG22 H 1 0.255 0.013 . 2 . 1018 . . 106 VAL HG22 . 19971 1 1218 . 1 1 106 106 VAL HG23 H 1 0.255 0.013 . 2 . 1018 . . 106 VAL HG23 . 19971 1 1219 . 1 1 106 106 VAL C C 13 174.642 0.0 . 1 . 1176 . . 106 VAL C . 19971 1 1220 . 1 1 106 106 VAL CA C 13 59.860 0.088 . 1 . 315 . . 106 VAL CA . 19971 1 1221 . 1 1 106 106 VAL CB C 13 33.053 0.055 . 1 . 316 . . 106 VAL CB . 19971 1 1222 . 1 1 106 106 VAL CG1 C 13 20.218 0.034 . 2 . 883 . . 106 VAL CG1 . 19971 1 1223 . 1 1 106 106 VAL CG2 C 13 19.931 0.072 . 2 . 884 . . 106 VAL CG2 . 19971 1 1224 . 1 1 106 106 VAL N N 15 122.660 0.106 . 1 . 105 . . 106 VAL N . 19971 1 1225 . 1 1 107 107 LYS H H 1 8.804 0.009 . 1 . 41 . . 107 LYS H . 19971 1 1226 . 1 1 107 107 LYS HA H 1 3.651 0.009 . 1 . 865 . . 107 LYS HA . 19971 1 1227 . 1 1 107 107 LYS HB2 H 1 2.511 0.013 . 2 . 1455 . . 107 LYS HB2 . 19971 1 1228 . 1 1 107 107 LYS HB3 H 1 1.652 0.219 . 2 . 1456 . . 107 LYS HB3 . 19971 1 1229 . 1 1 107 107 LYS HG2 H 1 1.703 0.016 . 2 . 1457 . . 107 LYS HG2 . 19971 1 1230 . 1 1 107 107 LYS HG3 H 1 1.433 0.146 . 2 . 1458 . . 107 LYS HG3 . 19971 1 1231 . 1 1 107 107 LYS HD2 H 1 1.785 0.011 . 2 . 1460 . . 107 LYS HD2 . 19971 1 1232 . 1 1 107 107 LYS HD3 H 1 1.784 0.01 . 2 . 1461 . . 107 LYS HD3 . 19971 1 1233 . 1 1 107 107 LYS HE2 H 1 3.022 0.019 . 2 . 1464 . . 107 LYS HE2 . 19971 1 1234 . 1 1 107 107 LYS HE3 H 1 3.022 0.019 . 2 . 1463 . . 107 LYS HE3 . 19971 1 1235 . 1 1 107 107 LYS C C 13 173.676 0.0 . 1 . 1177 . . 107 LYS C . 19971 1 1236 . 1 1 107 107 LYS CA C 13 59.156 0.053 . 1 . 314 . . 107 LYS CA . 19971 1 1237 . 1 1 107 107 LYS CB C 13 33.393 0.159 . 1 . 313 . . 107 LYS CB . 19971 1 1238 . 1 1 107 107 LYS CG C 13 26.915 0.038 . 1 . 1459 . . 107 LYS CG . 19971 1 1239 . 1 1 107 107 LYS CD C 13 30.387 0.045 . 1 . 1462 . . 107 LYS CD . 19971 1 1240 . 1 1 107 107 LYS CE C 13 42.822 0.178 . 1 . 1465 . . 107 LYS CE . 19971 1 1241 . 1 1 107 107 LYS N N 15 126.385 0.102 . 1 . 42 . . 107 LYS N . 19971 1 1242 . 1 1 108 108 ASN H H 1 8.936 0.01 . 1 . 75 . . 108 ASN H . 19971 1 1243 . 1 1 108 108 ASN HA H 1 4.714 0.013 . 1 . 749 . . 108 ASN HA . 19971 1 1244 . 1 1 108 108 ASN HB2 H 1 3.058 0.013 . 2 . 750 . . 108 ASN HB2 . 19971 1 1245 . 1 1 108 108 ASN HB3 H 1 2.634 0.009 . 2 . 751 . . 108 ASN HB3 . 19971 1 1246 . 1 1 108 108 ASN HD21 H 1 7.153 0.003 . 1 . 45 . . 108 ASN HD21 . 19971 1 1247 . 1 1 108 108 ASN HD22 H 1 7.630 0.008 . 1 . 1513 . . 108 ASN HD22 . 19971 1 1248 . 1 1 108 108 ASN C C 13 172.735 0.0 . 1 . 1178 . . 108 ASN C . 19971 1 1249 . 1 1 108 108 ASN CA C 13 53.752 0.051 . 1 . 311 . . 108 ASN CA . 19971 1 1250 . 1 1 108 108 ASN CB C 13 37.000 0.05 . 1 . 312 . . 108 ASN CB . 19971 1 1251 . 1 1 108 108 ASN CG C 13 177.578 0.0 . 1 . 1547 . . 108 ASN CG . 19971 1 1252 . 1 1 108 108 ASN N N 15 118.627 0.129 . 1 . 76 . . 108 ASN N . 19971 1 1253 . 1 1 108 108 ASN ND2 N 15 114.846 0.065 . 1 . 46 . . 108 ASN ND2 . 19971 1 1254 . 1 1 109 109 ALA H H 1 8.709 0.004 . 1 . 250 . . 109 ALA H . 19971 1 1255 . 1 1 109 109 ALA HA H 1 4.580 0.005 . 1 . 613 . . 109 ALA HA . 19971 1 1256 . 1 1 109 109 ALA HB1 H 1 1.490 0.008 . 1 . 612 . . 109 ALA HB1 . 19971 1 1257 . 1 1 109 109 ALA HB2 H 1 1.490 0.008 . 1 . 612 . . 109 ALA HB2 . 19971 1 1258 . 1 1 109 109 ALA HB3 H 1 1.490 0.008 . 1 . 612 . . 109 ALA HB3 . 19971 1 1259 . 1 1 109 109 ALA C C 13 176.350 0.0 . 1 . 1179 . . 109 ALA C . 19971 1 1260 . 1 1 109 109 ALA CA C 13 50.672 0.047 . 1 . 398 . . 109 ALA CA . 19971 1 1261 . 1 1 109 109 ALA CB C 13 24.223 0.059 . 1 . 399 . . 109 ALA CB . 19971 1 1262 . 1 1 109 109 ALA N N 15 124.940 0.05 . 1 . 251 . . 109 ALA N . 19971 1 1263 . 1 1 110 110 THR H H 1 8.802 0.013 . 1 . 92 . . 110 THR H . 19971 1 1264 . 1 1 110 110 THR HA H 1 4.585 0.008 . 1 . 700 . . 110 THR HA . 19971 1 1265 . 1 1 110 110 THR HB H 1 3.803 0.009 . 1 . 701 . . 110 THR HB . 19971 1 1266 . 1 1 110 110 THR HG21 H 1 1.052 0.011 . 1 . 1020 . . 110 THR HG21 . 19971 1 1267 . 1 1 110 110 THR HG22 H 1 1.052 0.011 . 1 . 1020 . . 110 THR HG22 . 19971 1 1268 . 1 1 110 110 THR HG23 H 1 1.052 0.011 . 1 . 1020 . . 110 THR HG23 . 19971 1 1269 . 1 1 110 110 THR CA C 13 62.566 0.065 . 1 . 472 . . 110 THR CA . 19971 1 1270 . 1 1 110 110 THR CB C 13 70.424 0.044 . 1 . 471 . . 110 THR CB . 19971 1 1271 . 1 1 110 110 THR CG2 C 13 21.948 0.058 . 1 . 885 . . 110 THR CG2 . 19971 1 1272 . 1 1 110 110 THR N N 15 117.188 0.098 . 1 . 93 . . 110 THR N . 19971 1 1273 . 1 1 111 111 VAL H H 1 8.446 0.005 . 1 . 134 . . 111 VAL H . 19971 1 1274 . 1 1 111 111 VAL HA H 1 4.349 0.007 . 1 . 753 . . 111 VAL HA . 19971 1 1275 . 1 1 111 111 VAL HB H 1 2.164 0.017 . 1 . 752 . . 111 VAL HB . 19971 1 1276 . 1 1 111 111 VAL HG11 H 1 0.905 0.076 . 2 . 1021 . . 111 VAL HG11 . 19971 1 1277 . 1 1 111 111 VAL HG12 H 1 0.905 0.076 . 2 . 1021 . . 111 VAL HG12 . 19971 1 1278 . 1 1 111 111 VAL HG13 H 1 0.905 0.076 . 2 . 1021 . . 111 VAL HG13 . 19971 1 1279 . 1 1 111 111 VAL HG21 H 1 0.816 0.089 . 2 . 1022 . . 111 VAL HG21 . 19971 1 1280 . 1 1 111 111 VAL HG22 H 1 0.816 0.089 . 2 . 1022 . . 111 VAL HG22 . 19971 1 1281 . 1 1 111 111 VAL HG23 H 1 0.816 0.089 . 2 . 1022 . . 111 VAL HG23 . 19971 1 1282 . 1 1 111 111 VAL C C 13 176.104 0.0 . 1 . 1180 . . 111 VAL C . 19971 1 1283 . 1 1 111 111 VAL CA C 13 63.111 0.171 . 1 . 473 . . 111 VAL CA . 19971 1 1284 . 1 1 111 111 VAL CB C 13 31.382 0.054 . 1 . 474 . . 111 VAL CB . 19971 1 1285 . 1 1 111 111 VAL CG1 C 13 22.201 0.392 . 2 . 886 . . 111 VAL CG1 . 19971 1 1286 . 1 1 111 111 VAL CG2 C 13 22.483 0.448 . 2 . 1023 . . 111 VAL CG2 . 19971 1 1287 . 1 1 111 111 VAL N N 15 124.240 0.026 . 1 . 135 . . 111 VAL N . 19971 1 1288 . 1 1 112 112 LEU H H 1 9.283 0.008 . 1 . 51 . . 112 LEU H . 19971 1 1289 . 1 1 112 112 LEU HA H 1 4.344 0.008 . 1 . 754 . . 112 LEU HA . 19971 1 1290 . 1 1 112 112 LEU HB2 H 1 1.458 0.009 . 2 . 755 . . 112 LEU HB2 . 19971 1 1291 . 1 1 112 112 LEU HB3 H 1 1.547 0.018 . 2 . 756 . . 112 LEU HB3 . 19971 1 1292 . 1 1 112 112 LEU HD11 H 1 0.857 0.008 . 1 . 1024 . . 112 LEU HD11 . 19971 1 1293 . 1 1 112 112 LEU HD12 H 1 0.857 0.008 . 1 . 1024 . . 112 LEU HD12 . 19971 1 1294 . 1 1 112 112 LEU HD13 H 1 0.857 0.008 . 1 . 1024 . . 112 LEU HD13 . 19971 1 1295 . 1 1 112 112 LEU C C 13 177.572 0.0 . 1 . 1181 . . 112 LEU C . 19971 1 1296 . 1 1 112 112 LEU CA C 13 55.354 0.04 . 1 . 402 . . 112 LEU CA . 19971 1 1297 . 1 1 112 112 LEU CB C 13 43.863 0.035 . 1 . 403 . . 112 LEU CB . 19971 1 1298 . 1 1 112 112 LEU CD1 C 13 25.698 0.058 . 1 . 1025 . . 112 LEU CD1 . 19971 1 1299 . 1 1 112 112 LEU N N 15 130.225 0.059 . 1 . 52 . . 112 LEU N . 19971 1 1300 . 1 1 113 113 ALA H H 1 7.277 0.011 . 1 . 102 . . 113 ALA H . 19971 1 1301 . 1 1 113 113 ALA HA H 1 4.556 0.011 . 1 . 758 . . 113 ALA HA . 19971 1 1302 . 1 1 113 113 ALA HB1 H 1 1.406 0.007 . 1 . 757 . . 113 ALA HB1 . 19971 1 1303 . 1 1 113 113 ALA HB2 H 1 1.406 0.007 . 1 . 757 . . 113 ALA HB2 . 19971 1 1304 . 1 1 113 113 ALA HB3 H 1 1.406 0.007 . 1 . 757 . . 113 ALA HB3 . 19971 1 1305 . 1 1 113 113 ALA C C 13 173.735 0.0 . 1 . 1182 . . 113 ALA C . 19971 1 1306 . 1 1 113 113 ALA CA C 13 52.648 0.04 . 1 . 424 . . 113 ALA CA . 19971 1 1307 . 1 1 113 113 ALA CB C 13 20.274 0.038 . 1 . 425 . . 113 ALA CB . 19971 1 1308 . 1 1 113 113 ALA N N 15 121.137 0.042 . 1 . 103 . . 113 ALA N . 19971 1 1309 . 1 1 114 114 ALA H H 1 8.700 0.009 . 1 . 163 . . 114 ALA H . 19971 1 1310 . 1 1 114 114 ALA HA H 1 5.439 0.017 . 1 . 759 . . 114 ALA HA . 19971 1 1311 . 1 1 114 114 ALA HB1 H 1 1.492 0.005 . 1 . 760 . . 114 ALA HB1 . 19971 1 1312 . 1 1 114 114 ALA HB2 H 1 1.492 0.005 . 1 . 760 . . 114 ALA HB2 . 19971 1 1313 . 1 1 114 114 ALA HB3 H 1 1.492 0.005 . 1 . 760 . . 114 ALA HB3 . 19971 1 1314 . 1 1 114 114 ALA C C 13 178.056 0.0 . 1 . 1183 . . 114 ALA C . 19971 1 1315 . 1 1 114 114 ALA CA C 13 50.525 0.06 . 1 . 427 . . 114 ALA CA . 19971 1 1316 . 1 1 114 114 ALA CB C 13 22.128 0.066 . 1 . 426 . . 114 ALA CB . 19971 1 1317 . 1 1 114 114 ALA N N 15 125.470 0.029 . 1 . 164 . . 114 ALA N . 19971 1 1318 . 1 1 115 115 ASP H H 1 9.711 0.016 . 1 . 174 . . 115 ASP H . 19971 1 1319 . 1 1 115 115 ASP HA H 1 3.903 0.004 . 1 . 761 . . 115 ASP HA . 19971 1 1320 . 1 1 115 115 ASP HB2 H 1 3.035 0.013 . 2 . 762 . . 115 ASP HB2 . 19971 1 1321 . 1 1 115 115 ASP HB3 H 1 2.899 0.015 . 2 . 763 . . 115 ASP HB3 . 19971 1 1322 . 1 1 115 115 ASP C C 13 175.177 0.0 . 1 . 1184 . . 115 ASP C . 19971 1 1323 . 1 1 115 115 ASP CA C 13 55.372 0.025 . 1 . 521 . . 115 ASP CA . 19971 1 1324 . 1 1 115 115 ASP CB C 13 37.426 0.079 . 1 . 520 . . 115 ASP CB . 19971 1 1325 . 1 1 115 115 ASP N N 15 116.397 0.091 . 1 . 175 . . 115 ASP N . 19971 1 1326 . 1 1 116 116 ILE H H 1 8.669 0.008 . 1 . 172 . . 116 ILE H . 19971 1 1327 . 1 1 116 116 ILE HA H 1 3.905 0.013 . 1 . 764 . . 116 ILE HA . 19971 1 1328 . 1 1 116 116 ILE HB H 1 2.065 0.007 . 1 . 765 . . 116 ILE HB . 19971 1 1329 . 1 1 116 116 ILE HG12 H 1 1.457 0.009 . 2 . 1466 . . 116 ILE HG12 . 19971 1 1330 . 1 1 116 116 ILE HG13 H 1 0.982 0.009 . 2 . 1467 . . 116 ILE HG13 . 19971 1 1331 . 1 1 116 116 ILE HG21 H 1 0.768 0.005 . 1 . 931 . . 116 ILE HG21 . 19971 1 1332 . 1 1 116 116 ILE HG22 H 1 0.768 0.005 . 1 . 931 . . 116 ILE HG22 . 19971 1 1333 . 1 1 116 116 ILE HG23 H 1 0.768 0.005 . 1 . 931 . . 116 ILE HG23 . 19971 1 1334 . 1 1 116 116 ILE HD11 H 1 0.777 0.008 . 1 . 1469 . . 116 ILE HD11 . 19971 1 1335 . 1 1 116 116 ILE HD12 H 1 0.777 0.008 . 1 . 1469 . . 116 ILE HD12 . 19971 1 1336 . 1 1 116 116 ILE HD13 H 1 0.777 0.008 . 1 . 1469 . . 116 ILE HD13 . 19971 1 1337 . 1 1 116 116 ILE C C 13 175.774 0.0 . 1 . 1185 . . 116 ILE C . 19971 1 1338 . 1 1 116 116 ILE CA C 13 62.794 0.046 . 1 . 519 . . 116 ILE CA . 19971 1 1339 . 1 1 116 116 ILE CB C 13 36.841 0.073 . 1 . 518 . . 116 ILE CB . 19971 1 1340 . 1 1 116 116 ILE CG1 C 13 28.052 0.022 . 1 . 1468 . . 116 ILE CG1 . 19971 1 1341 . 1 1 116 116 ILE CG2 C 13 17.056 0.068 . 1 . 887 . . 116 ILE CG2 . 19971 1 1342 . 1 1 116 116 ILE CD1 C 13 13.941 0.036 . 1 . 1470 . . 116 ILE CD1 . 19971 1 1343 . 1 1 116 116 ILE N N 15 122.171 0.133 . 1 . 173 . . 116 ILE N . 19971 1 1344 . 1 1 117 117 GLU H H 1 8.359 0.012 . 1 . 100 . . 117 GLU H . 19971 1 1345 . 1 1 117 117 GLU HA H 1 4.309 0.013 . 1 . 768 . . 117 GLU HA . 19971 1 1346 . 1 1 117 117 GLU HB2 H 1 1.957 0.002 . 2 . 766 . . 117 GLU HB2 . 19971 1 1347 . 1 1 117 117 GLU HB3 H 1 1.913 0.002 . 2 . 767 . . 117 GLU HB3 . 19971 1 1348 . 1 1 117 117 GLU HG2 H 1 2.339 0.006 . 2 . 932 . . 117 GLU HG2 . 19971 1 1349 . 1 1 117 117 GLU HG3 H 1 2.024 0.008 . 2 . 1471 . . 117 GLU HG3 . 19971 1 1350 . 1 1 117 117 GLU C C 13 174.716 0.0 . 1 . 1186 . . 117 GLU C . 19971 1 1351 . 1 1 117 117 GLU CA C 13 57.640 0.029 . 1 . 284 . . 117 GLU CA . 19971 1 1352 . 1 1 117 117 GLU CB C 13 31.302 0.042 . 1 . 285 . . 117 GLU CB . 19971 1 1353 . 1 1 117 117 GLU CG C 13 37.090 0.06 . 1 . 888 . . 117 GLU CG . 19971 1 1354 . 1 1 117 117 GLU N N 15 127.614 0.067 . 1 . 101 . . 117 GLU N . 19971 1 1355 . 1 1 118 118 ALA H H 1 8.739 0.009 . 1 . 1 . . 118 ALA H . 19971 1 1356 . 1 1 118 118 ALA HA H 1 4.773 0.017 . 1 . 770 . . 118 ALA HA . 19971 1 1357 . 1 1 118 118 ALA HB1 H 1 1.293 0.01 . 1 . 769 . . 118 ALA HB1 . 19971 1 1358 . 1 1 118 118 ALA HB2 H 1 1.293 0.01 . 1 . 769 . . 118 ALA HB2 . 19971 1 1359 . 1 1 118 118 ALA HB3 H 1 1.293 0.01 . 1 . 769 . . 118 ALA HB3 . 19971 1 1360 . 1 1 118 118 ALA C C 13 177.345 0.0 . 1 . 1187 . . 118 ALA C . 19971 1 1361 . 1 1 118 118 ALA CA C 13 49.497 0.04 . 1 . 341 . . 118 ALA CA . 19971 1 1362 . 1 1 118 118 ALA CB C 13 22.969 0.056 . 1 . 342 . . 118 ALA CB . 19971 1 1363 . 1 1 118 118 ALA N N 15 126.288 0.095 . 1 . 2 . . 118 ALA N . 19971 1 1364 . 1 1 119 119 GLU H H 1 8.909 0.015 . 1 . 37 . . 119 GLU H . 19971 1 1365 . 1 1 119 119 GLU HA H 1 4.152 0.007 . 1 . 773 . . 119 GLU HA . 19971 1 1366 . 1 1 119 119 GLU HB2 H 1 1.917 0.011 . 1 . 772 . . 119 GLU HB2 . 19971 1 1367 . 1 1 119 119 GLU HB3 H 1 1.917 0.011 . 1 . 771 . . 119 GLU HB3 . 19971 1 1368 . 1 1 119 119 GLU HG2 H 1 2.052 0.019 . 2 . 933 . . 119 GLU HG2 . 19971 1 1369 . 1 1 119 119 GLU HG3 H 1 2.068 0.011 . 2 . 934 . . 119 GLU HG3 . 19971 1 1370 . 1 1 119 119 GLU C C 13 176.387 0.0 . 1 . 1188 . . 119 GLU C . 19971 1 1371 . 1 1 119 119 GLU CA C 13 58.570 0.035 . 1 . 355 . . 119 GLU CA . 19971 1 1372 . 1 1 119 119 GLU CB C 13 30.291 0.037 . 1 . 354 . . 119 GLU CB . 19971 1 1373 . 1 1 119 119 GLU CG C 13 36.612 0.046 . 1 . 889 . . 119 GLU CG . 19971 1 1374 . 1 1 119 119 GLU N N 15 118.226 0.069 . 1 . 38 . . 119 GLU N . 19971 1 1375 . 1 1 120 120 ASN H H 1 8.047 0.008 . 1 . 274 . . 120 ASN H . 19971 1 1376 . 1 1 120 120 ASN HA H 1 4.887 0.011 . 1 . 775 . . 120 ASN HA . 19971 1 1377 . 1 1 120 120 ASN HB2 H 1 2.543 0.012 . 2 . 774 . . 120 ASN HB2 . 19971 1 1378 . 1 1 120 120 ASN HB3 H 1 3.616 0.01 . 2 . 1026 . . 120 ASN HB3 . 19971 1 1379 . 1 1 120 120 ASN HD21 H 1 8.606 0.004 . 1 . 1552 . . 120 ASN HD21 . 19971 1 1380 . 1 1 120 120 ASN HD22 H 1 7.061 0.005 . 1 . 1550 . . 120 ASN HD22 . 19971 1 1381 . 1 1 120 120 ASN C C 13 173.766 0.0 . 1 . 1189 . . 120 ASN C . 19971 1 1382 . 1 1 120 120 ASN CA C 13 51.354 0.041 . 1 . 353 . . 120 ASN CA . 19971 1 1383 . 1 1 120 120 ASN CB C 13 37.260 0.024 . 1 . 352 . . 120 ASN CB . 19971 1 1384 . 1 1 120 120 ASN N N 15 112.675 0.059 . 1 . 275 . . 120 ASN N . 19971 1 1385 . 1 1 120 120 ASN ND2 N 15 111.295 0.108 . 1 . 1551 . . 120 ASN ND2 . 19971 1 1386 . 1 1 121 121 GLY H H 1 7.024 0.01 . 1 . 130 . . 121 GLY H . 19971 1 1387 . 1 1 121 121 GLY HA2 H 1 3.561 0.019 . 2 . 776 . . 121 GLY HA2 . 19971 1 1388 . 1 1 121 121 GLY HA3 H 1 5.757 0.017 . 2 . 866 . . 121 GLY HA3 . 19971 1 1389 . 1 1 121 121 GLY C C 13 170.902 0.0 . 1 . 1190 . . 121 GLY C . 19971 1 1390 . 1 1 121 121 GLY CA C 13 45.845 0.032 . 1 . 351 . . 121 GLY CA . 19971 1 1391 . 1 1 121 121 GLY N N 15 104.055 0.04 . 1 . 131 . . 121 GLY N . 19971 1 1392 . 1 1 122 122 ILE H H 1 8.875 0.01 . 1 . 53 . . 122 ILE H . 19971 1 1393 . 1 1 122 122 ILE HA H 1 4.830 0.012 . 1 . 777 . . 122 ILE HA . 19971 1 1394 . 1 1 122 122 ILE HB H 1 1.636 0.016 . 1 . 778 . . 122 ILE HB . 19971 1 1395 . 1 1 122 122 ILE HG12 H 1 1.099 0.006 . 2 . 1029 . . 122 ILE HG12 . 19971 1 1396 . 1 1 122 122 ILE HG13 H 1 1.028 0.015 . 2 . 1030 . . 122 ILE HG13 . 19971 1 1397 . 1 1 122 122 ILE HG21 H 1 0.371 0.013 . 1 . 1028 . . 122 ILE HG21 . 19971 1 1398 . 1 1 122 122 ILE HG22 H 1 0.371 0.013 . 1 . 1028 . . 122 ILE HG22 . 19971 1 1399 . 1 1 122 122 ILE HG23 H 1 0.371 0.013 . 1 . 1028 . . 122 ILE HG23 . 19971 1 1400 . 1 1 122 122 ILE HD11 H 1 0.652 0.005 . 1 . 935 . . 122 ILE HD11 . 19971 1 1401 . 1 1 122 122 ILE HD12 H 1 0.652 0.005 . 1 . 935 . . 122 ILE HD12 . 19971 1 1402 . 1 1 122 122 ILE HD13 H 1 0.652 0.005 . 1 . 935 . . 122 ILE HD13 . 19971 1 1403 . 1 1 122 122 ILE C C 13 173.376 0.0 . 1 . 1191 . . 122 ILE C . 19971 1 1404 . 1 1 122 122 ILE CA C 13 57.841 0.056 . 1 . 457 . . 122 ILE CA . 19971 1 1405 . 1 1 122 122 ILE CB C 13 41.184 0.045 . 1 . 580 . . 122 ILE CB . 19971 1 1406 . 1 1 122 122 ILE CG1 C 13 27.650 0.032 . 1 . 1031 . . 122 ILE CG1 . 19971 1 1407 . 1 1 122 122 ILE CG2 C 13 18.049 0.072 . 1 . 890 . . 122 ILE CG2 . 19971 1 1408 . 1 1 122 122 ILE CD1 C 13 11.906 0.058 . 1 . 1027 . . 122 ILE CD1 . 19971 1 1409 . 1 1 122 122 ILE N N 15 123.044 0.145 . 1 . 54 . . 122 ILE N . 19971 1 1410 . 1 1 123 123 ILE H H 1 9.127 0.006 . 1 . 252 . . 123 ILE H . 19971 1 1411 . 1 1 123 123 ILE HA H 1 4.641 0.008 . 1 . 780 . . 123 ILE HA . 19971 1 1412 . 1 1 123 123 ILE HB H 1 1.442 0.012 . 1 . 779 . . 123 ILE HB . 19971 1 1413 . 1 1 123 123 ILE HG12 H 1 1.403 0.008 . 2 . 1475 . . 123 ILE HG12 . 19971 1 1414 . 1 1 123 123 ILE HG13 H 1 0.569 0.011 . 2 . 1477 . . 123 ILE HG13 . 19971 1 1415 . 1 1 123 123 ILE HG21 H 1 0.698 0.015 . 1 . 936 . . 123 ILE HG21 . 19971 1 1416 . 1 1 123 123 ILE HG22 H 1 0.698 0.015 . 1 . 936 . . 123 ILE HG22 . 19971 1 1417 . 1 1 123 123 ILE HG23 H 1 0.698 0.015 . 1 . 936 . . 123 ILE HG23 . 19971 1 1418 . 1 1 123 123 ILE HD11 H 1 0.684 0.008 . 1 . 1473 . . 123 ILE HD11 . 19971 1 1419 . 1 1 123 123 ILE HD12 H 1 0.684 0.008 . 1 . 1473 . . 123 ILE HD12 . 19971 1 1420 . 1 1 123 123 ILE HD13 H 1 0.684 0.008 . 1 . 1473 . . 123 ILE HD13 . 19971 1 1421 . 1 1 123 123 ILE C C 13 172.952 0.0 . 1 . 1192 . . 123 ILE C . 19971 1 1422 . 1 1 123 123 ILE CA C 13 59.619 0.046 . 1 . 369 . . 123 ILE CA . 19971 1 1423 . 1 1 123 123 ILE CB C 13 41.772 0.026 . 1 . 368 . . 123 ILE CB . 19971 1 1424 . 1 1 123 123 ILE CG1 C 13 28.127 0.066 . 1 . 1476 . . 123 ILE CG1 . 19971 1 1425 . 1 1 123 123 ILE CG2 C 13 18.003 0.065 . 1 . 1472 . . 123 ILE CG2 . 19971 1 1426 . 1 1 123 123 ILE CD1 C 13 15.110 0.059 . 1 . 1474 . . 123 ILE CD1 . 19971 1 1427 . 1 1 123 123 ILE N N 15 125.752 0.04 . 1 . 253 . . 123 ILE N . 19971 1 1428 . 1 1 124 124 HIS H H 1 8.786 0.004 . 1 . 200 . . 124 HIS H . 19971 1 1429 . 1 1 124 124 HIS HA H 1 5.547 0.015 . 1 . 781 . . 124 HIS HA . 19971 1 1430 . 1 1 124 124 HIS HB2 H 1 3.031 0.012 . 2 . 782 . . 124 HIS HB2 . 19971 1 1431 . 1 1 124 124 HIS HB3 H 1 2.974 0.011 . 2 . 783 . . 124 HIS HB3 . 19971 1 1432 . 1 1 124 124 HIS HE1 H 1 8.711 0.008 . 1 . 1526 . . 124 HIS HE1 . 19971 1 1433 . 1 1 124 124 HIS C C 13 175.833 0.0 . 1 . 1193 . . 124 HIS C . 19971 1 1434 . 1 1 124 124 HIS CA C 13 53.698 0.054 . 1 . 367 . . 124 HIS CA . 19971 1 1435 . 1 1 124 124 HIS CB C 13 33.347 0.028 . 1 . 366 . . 124 HIS CB . 19971 1 1436 . 1 1 124 124 HIS CE1 C 13 140.427 0.06 . 1 . 1527 . . 124 HIS CE1 . 19971 1 1437 . 1 1 124 124 HIS N N 15 124.351 0.068 . 1 . 201 . . 124 HIS N . 19971 1 1438 . 1 1 125 125 VAL H H 1 9.512 0.004 . 1 . 191 . . 125 VAL H . 19971 1 1439 . 1 1 125 125 VAL HA H 1 4.822 0.019 . 1 . 785 . . 125 VAL HA . 19971 1 1440 . 1 1 125 125 VAL HB H 1 2.205 0.01 . 1 . 784 . . 125 VAL HB . 19971 1 1441 . 1 1 125 125 VAL HG11 H 1 1.385 0.005 . 2 . 1032 . . 125 VAL HG11 . 19971 1 1442 . 1 1 125 125 VAL HG12 H 1 1.385 0.005 . 2 . 1032 . . 125 VAL HG12 . 19971 1 1443 . 1 1 125 125 VAL HG13 H 1 1.385 0.005 . 2 . 1032 . . 125 VAL HG13 . 19971 1 1444 . 1 1 125 125 VAL HG21 H 1 1.275 0.007 . 2 . 1033 . . 125 VAL HG21 . 19971 1 1445 . 1 1 125 125 VAL HG22 H 1 1.275 0.007 . 2 . 1033 . . 125 VAL HG22 . 19971 1 1446 . 1 1 125 125 VAL HG23 H 1 1.275 0.007 . 2 . 1033 . . 125 VAL HG23 . 19971 1 1447 . 1 1 125 125 VAL C C 13 177.333 0.0 . 1 . 1194 . . 125 VAL C . 19971 1 1448 . 1 1 125 125 VAL CA C 13 63.232 0.07 . 1 . 364 . . 125 VAL CA . 19971 1 1449 . 1 1 125 125 VAL CB C 13 32.694 0.07 . 1 . 365 . . 125 VAL CB . 19971 1 1450 . 1 1 125 125 VAL CG1 C 13 21.096 0.063 . 2 . 1034 . . 125 VAL CG1 . 19971 1 1451 . 1 1 125 125 VAL CG2 C 13 22.214 0.312 . 2 . 1035 . . 125 VAL CG2 . 19971 1 1452 . 1 1 125 125 VAL N N 15 126.303 0.042 . 1 . 192 . . 125 VAL N . 19971 1 1453 . 1 1 126 126 ILE H H 1 8.608 0.007 . 1 . 178 . . 126 ILE H . 19971 1 1454 . 1 1 126 126 ILE HA H 1 5.612 0.014 . 1 . 867 . . 126 ILE HA . 19971 1 1455 . 1 1 126 126 ILE HB H 1 1.910 0.014 . 1 . 868 . . 126 ILE HB . 19971 1 1456 . 1 1 126 126 ILE HG12 H 1 0.811 0.02 . 2 . 1036 . . 126 ILE HG12 . 19971 1 1457 . 1 1 126 126 ILE HG13 H 1 1.336 0.009 . 2 . 1039 . . 126 ILE HG13 . 19971 1 1458 . 1 1 126 126 ILE HG21 H 1 0.912 0.013 . 1 . 937 . . 126 ILE HG21 . 19971 1 1459 . 1 1 126 126 ILE HG22 H 1 0.912 0.013 . 1 . 937 . . 126 ILE HG22 . 19971 1 1460 . 1 1 126 126 ILE HG23 H 1 0.912 0.013 . 1 . 937 . . 126 ILE HG23 . 19971 1 1461 . 1 1 126 126 ILE HD11 H 1 1.141 0.01 . 1 . 1037 . . 126 ILE HD11 . 19971 1 1462 . 1 1 126 126 ILE HD12 H 1 1.141 0.01 . 1 . 1037 . . 126 ILE HD12 . 19971 1 1463 . 1 1 126 126 ILE HD13 H 1 1.141 0.01 . 1 . 1037 . . 126 ILE HD13 . 19971 1 1464 . 1 1 126 126 ILE C C 13 175.243 0.0 . 1 . 1195 . . 126 ILE C . 19971 1 1465 . 1 1 126 126 ILE CA C 13 59.452 0.065 . 1 . 363 . . 126 ILE CA . 19971 1 1466 . 1 1 126 126 ILE CB C 13 42.552 0.047 . 1 . 362 . . 126 ILE CB . 19971 1 1467 . 1 1 126 126 ILE CG1 C 13 24.376 0.187 . 1 . 1479 . . 126 ILE CG1 . 19971 1 1468 . 1 1 126 126 ILE CG2 C 13 17.832 0.04 . 1 . 1478 . . 126 ILE CG2 . 19971 1 1469 . 1 1 126 126 ILE CD1 C 13 15.420 0.052 . 1 . 1038 . . 126 ILE CD1 . 19971 1 1470 . 1 1 126 126 ILE N N 15 120.786 0.041 . 1 . 179 . . 126 ILE N . 19971 1 1471 . 1 1 127 127 ASP H H 1 8.077 0.005 . 1 . 246 . . 127 ASP H . 19971 1 1472 . 1 1 127 127 ASP HA H 1 4.560 0.011 . 1 . 852 . . 127 ASP HA . 19971 1 1473 . 1 1 127 127 ASP HB2 H 1 3.200 0.164 . 2 . 853 . . 127 ASP HB2 . 19971 1 1474 . 1 1 127 127 ASP HB3 H 1 2.466 0.013 . 2 . 854 . . 127 ASP HB3 . 19971 1 1475 . 1 1 127 127 ASP C C 13 177.203 0.0 . 1 . 1196 . . 127 ASP C . 19971 1 1476 . 1 1 127 127 ASP CA C 13 53.618 0.035 . 1 . 360 . . 127 ASP CA . 19971 1 1477 . 1 1 127 127 ASP CB C 13 42.704 0.066 . 1 . 361 . . 127 ASP CB . 19971 1 1478 . 1 1 127 127 ASP N N 15 116.443 0.088 . 1 . 247 . . 127 ASP N . 19971 1 1479 . 1 1 128 128 THR H H 1 7.341 0.005 . 1 . 67 . . 128 THR H . 19971 1 1480 . 1 1 128 128 THR HA H 1 4.448 0.011 . 1 . 837 . . 128 THR HA . 19971 1 1481 . 1 1 128 128 THR HB H 1 3.582 0.01 . 1 . 838 . . 128 THR HB . 19971 1 1482 . 1 1 128 128 THR HG21 H 1 1.192 0.009 . 1 . 938 . . 128 THR HG21 . 19971 1 1483 . 1 1 128 128 THR HG22 H 1 1.192 0.009 . 1 . 938 . . 128 THR HG22 . 19971 1 1484 . 1 1 128 128 THR HG23 H 1 1.192 0.009 . 1 . 938 . . 128 THR HG23 . 19971 1 1485 . 1 1 128 128 THR C C 13 170.740 0.0 . 1 . 1197 . . 128 THR C . 19971 1 1486 . 1 1 128 128 THR CA C 13 61.838 0.061 . 1 . 358 . . 128 THR CA . 19971 1 1487 . 1 1 128 128 THR CB C 13 73.809 0.021 . 1 . 359 . . 128 THR CB . 19971 1 1488 . 1 1 128 128 THR CG2 C 13 20.953 0.046 . 1 . 891 . . 128 THR CG2 . 19971 1 1489 . 1 1 128 128 THR N N 15 117.525 0.081 . 1 . 68 . . 128 THR N . 19971 1 1490 . 1 1 129 129 VAL H H 1 8.810 0.021 . 1 . 268 . . 129 VAL H . 19971 1 1491 . 1 1 129 129 VAL HA H 1 3.766 0.01 . 1 . 834 . . 129 VAL HA . 19971 1 1492 . 1 1 129 129 VAL HB H 1 1.768 0.008 . 1 . 835 . . 129 VAL HB . 19971 1 1493 . 1 1 129 129 VAL HG11 H 1 0.777 0.006 . 2 . 1616 . . 129 VAL HG11 . 19971 1 1494 . 1 1 129 129 VAL HG12 H 1 0.777 0.006 . 2 . 1616 . . 129 VAL HG12 . 19971 1 1495 . 1 1 129 129 VAL HG13 H 1 0.777 0.006 . 2 . 1616 . . 129 VAL HG13 . 19971 1 1496 . 1 1 129 129 VAL HG21 H 1 -0.090 0.009 . 2 . 1617 . . 129 VAL HG21 . 19971 1 1497 . 1 1 129 129 VAL HG22 H 1 -0.090 0.009 . 2 . 1617 . . 129 VAL HG22 . 19971 1 1498 . 1 1 129 129 VAL HG23 H 1 -0.090 0.009 . 2 . 1617 . . 129 VAL HG23 . 19971 1 1499 . 1 1 129 129 VAL C C 13 176.125 0.0 . 1 . 1198 . . 129 VAL C . 19971 1 1500 . 1 1 129 129 VAL CA C 13 62.915 0.014 . 1 . 357 . . 129 VAL CA . 19971 1 1501 . 1 1 129 129 VAL CB C 13 31.612 0.039 . 1 . 356 . . 129 VAL CB . 19971 1 1502 . 1 1 129 129 VAL CG1 C 13 20.629 0.136 . 2 . 1040 . . 129 VAL CG1 . 19971 1 1503 . 1 1 129 129 VAL CG2 C 13 20.811 0.083 . 2 . 1041 . . 129 VAL CG2 . 19971 1 1504 . 1 1 129 129 VAL N N 15 124.941 0.157 . 1 . 269 . . 129 VAL N . 19971 1 1505 . 1 1 130 130 ILE H H 1 10.381 0.004 . 1 . 55 . . 130 ILE H . 19971 1 1506 . 1 1 130 130 ILE HA H 1 4.108 0.005 . 1 . 786 . . 130 ILE HA . 19971 1 1507 . 1 1 130 130 ILE HB H 1 1.261 0.005 . 1 . 869 . . 130 ILE HB . 19971 1 1508 . 1 1 130 130 ILE HG12 H 1 0.522 0.002 . 2 . 1480 . . 130 ILE HG12 . 19971 1 1509 . 1 1 130 130 ILE HG13 H 1 1.270 0.003 . 2 . 1482 . . 130 ILE HG13 . 19971 1 1510 . 1 1 130 130 ILE HG21 H 1 0.696 0.005 . 1 . 939 . . 130 ILE HG21 . 19971 1 1511 . 1 1 130 130 ILE HG22 H 1 0.696 0.005 . 1 . 939 . . 130 ILE HG22 . 19971 1 1512 . 1 1 130 130 ILE HG23 H 1 0.696 0.005 . 1 . 939 . . 130 ILE HG23 . 19971 1 1513 . 1 1 130 130 ILE HD11 H 1 0.233 0.002 . 1 . 1042 . . 130 ILE HD11 . 19971 1 1514 . 1 1 130 130 ILE HD12 H 1 0.233 0.002 . 1 . 1042 . . 130 ILE HD12 . 19971 1 1515 . 1 1 130 130 ILE HD13 H 1 0.233 0.002 . 1 . 1042 . . 130 ILE HD13 . 19971 1 1516 . 1 1 130 130 ILE C C 13 174.461 0.0 . 1 . 1199 . . 130 ILE C . 19971 1 1517 . 1 1 130 130 ILE CA C 13 62.651 0.074 . 1 . 412 . . 130 ILE CA . 19971 1 1518 . 1 1 130 130 ILE CB C 13 38.126 0.048 . 1 . 413 . . 130 ILE CB . 19971 1 1519 . 1 1 130 130 ILE CG1 C 13 26.365 0.031 . 1 . 1481 . . 130 ILE CG1 . 19971 1 1520 . 1 1 130 130 ILE CG2 C 13 18.894 0.044 . 1 . 1043 . . 130 ILE CG2 . 19971 1 1521 . 1 1 130 130 ILE CD1 C 13 13.724 0.044 . 1 . 1044 . . 130 ILE CD1 . 19971 1 1522 . 1 1 130 130 ILE N N 15 131.606 0.047 . 1 . 56 . . 130 ILE N . 19971 1 1523 . 1 1 131 131 LEU H H 1 7.808 0.007 . 1 . 124 . . 131 LEU H . 19971 1 1524 . 1 1 131 131 LEU HA H 1 4.542 0.004 . 1 . 788 . . 131 LEU HA . 19971 1 1525 . 1 1 131 131 LEU HB2 H 1 1.474 0.008 . 2 . 787 . . 131 LEU HB2 . 19971 1 1526 . 1 1 131 131 LEU HB3 H 1 1.475 0.008 . 2 . 1484 . . 131 LEU HB3 . 19971 1 1527 . 1 1 131 131 LEU HG H 1 1.569 0.006 . 1 . 1483 . . 131 LEU HG . 19971 1 1528 . 1 1 131 131 LEU HD11 H 1 0.794 0.008 . 2 . 1045 . . 131 LEU HD11 . 19971 1 1529 . 1 1 131 131 LEU HD12 H 1 0.794 0.008 . 2 . 1045 . . 131 LEU HD12 . 19971 1 1530 . 1 1 131 131 LEU HD13 H 1 0.794 0.008 . 2 . 1045 . . 131 LEU HD13 . 19971 1 1531 . 1 1 131 131 LEU HD21 H 1 0.808 0.003 . 2 . 1046 . . 131 LEU HD21 . 19971 1 1532 . 1 1 131 131 LEU HD22 H 1 0.808 0.003 . 2 . 1046 . . 131 LEU HD22 . 19971 1 1533 . 1 1 131 131 LEU HD23 H 1 0.808 0.003 . 2 . 1046 . . 131 LEU HD23 . 19971 1 1534 . 1 1 131 131 LEU C C 13 176.911 0.0 . 1 . 1200 . . 131 LEU C . 19971 1 1535 . 1 1 131 131 LEU CA C 13 53.828 0.03 . 1 . 415 . . 131 LEU CA . 19971 1 1536 . 1 1 131 131 LEU CB C 13 44.673 0.048 . 1 . 416 . . 131 LEU CB . 19971 1 1537 . 1 1 131 131 LEU CG C 13 26.239 0.002 . 1 . 1485 . . 131 LEU CG . 19971 1 1538 . 1 1 131 131 LEU CD1 C 13 23.687 0.056 . 2 . 1486 . . 131 LEU CD1 . 19971 1 1539 . 1 1 131 131 LEU CD2 C 13 23.884 0.001 . 2 . 1487 . . 131 LEU CD2 . 19971 1 1540 . 1 1 131 131 LEU N N 15 121.996 0.047 . 1 . 125 . . 131 LEU N . 19971 1 1541 . 1 1 132 132 MET H H 1 7.936 0.006 . 1 . 138 . . 132 MET H . 19971 1 1542 . 1 1 132 132 MET HA H 1 3.925 0.002 . 1 . 1601 . . 132 MET HA . 19971 1 1543 . 1 1 132 132 MET HB2 H 1 1.645 0.002 . 2 . 1602 . . 132 MET HB2 . 19971 1 1544 . 1 1 132 132 MET HB3 H 1 1.609 0.006 . 2 . 1603 . . 132 MET HB3 . 19971 1 1545 . 1 1 132 132 MET HG2 H 1 1.904 0.001 . 2 . 1604 . . 132 MET HG2 . 19971 1 1546 . 1 1 132 132 MET HG3 H 1 1.855 0.001 . 2 . 1605 . . 132 MET HG3 . 19971 1 1547 . 1 1 132 132 MET CA C 13 55.996 0.062 . 1 . 531 . . 132 MET CA . 19971 1 1548 . 1 1 132 132 MET CB C 13 31.419 0.017 . 1 . 532 . . 132 MET CB . 19971 1 1549 . 1 1 132 132 MET CG C 13 31.899 0.002 . 1 . 1606 . . 132 MET CG . 19971 1 1550 . 1 1 132 132 MET N N 15 119.785 0.026 . 1 . 139 . . 132 MET N . 19971 1 1551 . 1 1 133 133 GLY H H 1 8.129 0.002 . 1 . 529 . . 133 GLY H . 19971 1 1552 . 1 1 133 133 GLY HA2 H 1 3.841 0.001 . 2 . 1069 . . 133 GLY HA2 . 19971 1 1553 . 1 1 133 133 GLY HA3 H 1 3.841 0.001 . 2 . 1068 . . 133 GLY HA3 . 19971 1 1554 . 1 1 133 133 GLY C C 13 173.744 0.0 . 1 . 1201 . . 133 GLY C . 19971 1 1555 . 1 1 133 133 GLY CA C 13 45.125 0.055 . 1 . 581 . . 133 GLY CA . 19971 1 1556 . 1 1 133 133 GLY N N 15 108.379 0.057 . 1 . 530 . . 133 GLY N . 19971 1 1557 . 1 1 134 134 LEU H H 1 8.060 0.006 . 1 . 481 . . 134 LEU H . 19971 1 1558 . 1 1 134 134 LEU HA H 1 4.287 0.003 . 1 . 791 . . 134 LEU HA . 19971 1 1559 . 1 1 134 134 LEU HB2 H 1 1.502 0.002 . 2 . 789 . . 134 LEU HB2 . 19971 1 1560 . 1 1 134 134 LEU HB3 H 1 1.563 0.003 . 2 . 790 . . 134 LEU HB3 . 19971 1 1561 . 1 1 134 134 LEU HG H 1 1.552 0.001 . 1 . 1489 . . 134 LEU HG . 19971 1 1562 . 1 1 134 134 LEU HD11 H 1 0.842 0.004 . 2 . 1047 . . 134 LEU HD11 . 19971 1 1563 . 1 1 134 134 LEU HD12 H 1 0.842 0.004 . 2 . 1047 . . 134 LEU HD12 . 19971 1 1564 . 1 1 134 134 LEU HD13 H 1 0.842 0.004 . 2 . 1047 . . 134 LEU HD13 . 19971 1 1565 . 1 1 134 134 LEU HD21 H 1 0.788 0.004 . 2 . 1048 . . 134 LEU HD21 . 19971 1 1566 . 1 1 134 134 LEU HD22 H 1 0.788 0.004 . 2 . 1048 . . 134 LEU HD22 . 19971 1 1567 . 1 1 134 134 LEU HD23 H 1 0.788 0.004 . 2 . 1048 . . 134 LEU HD23 . 19971 1 1568 . 1 1 134 134 LEU C C 13 176.638 0.0 . 1 . 1202 . . 134 LEU C . 19971 1 1569 . 1 1 134 134 LEU CA C 13 54.930 0.075 . 1 . 484 . . 134 LEU CA . 19971 1 1570 . 1 1 134 134 LEU CB C 13 42.674 0.038 . 1 . 483 . . 134 LEU CB . 19971 1 1571 . 1 1 134 134 LEU CG C 13 27.032 0.042 . 1 . 1490 . . 134 LEU CG . 19971 1 1572 . 1 1 134 134 LEU CD1 C 13 25.014 0.041 . 2 . 1488 . . 134 LEU CD1 . 19971 1 1573 . 1 1 134 134 LEU CD2 C 13 23.473 0.007 . 2 . 1491 . . 134 LEU CD2 . 19971 1 1574 . 1 1 134 134 LEU N N 15 121.379 0.061 . 1 . 482 . . 134 LEU N . 19971 1 1575 . 1 1 135 135 ASP H H 1 8.312 0.006 . 1 . 155 . . 135 ASP H . 19971 1 1576 . 1 1 135 135 ASP HA H 1 4.813 0.001 . 1 . 1493 . . 135 ASP HA . 19971 1 1577 . 1 1 135 135 ASP HB2 H 1 2.671 0.002 . 2 . 1492 . . 135 ASP HB2 . 19971 1 1578 . 1 1 135 135 ASP HB3 H 1 2.508 0.003 . 2 . 1494 . . 135 ASP HB3 . 19971 1 1579 . 1 1 135 135 ASP CA C 13 51.902 0.064 . 1 . 582 . . 135 ASP CA . 19971 1 1580 . 1 1 135 135 ASP CB C 13 41.613 0.031 . 1 . 583 . . 135 ASP CB . 19971 1 1581 . 1 1 135 135 ASP N N 15 122.414 0.035 . 1 . 156 . . 135 ASP N . 19971 1 1582 . 1 1 136 136 PRO HA H 1 4.259 0.002 . 1 . 792 . . 136 PRO HA . 19971 1 1583 . 1 1 136 136 PRO HB2 H 1 2.236 0.004 . 2 . 793 . . 136 PRO HB2 . 19971 1 1584 . 1 1 136 136 PRO HB3 H 1 1.900 0.003 . 2 . 794 . . 136 PRO HB3 . 19971 1 1585 . 1 1 136 136 PRO HG2 H 1 1.955 0.006 . 1 . 1051 . . 136 PRO HG2 . 19971 1 1586 . 1 1 136 136 PRO HG3 H 1 1.955 0.006 . 1 . 1052 . . 136 PRO HG3 . 19971 1 1587 . 1 1 136 136 PRO HD2 H 1 3.814 0.004 . 1 . 1050 . . 136 PRO HD2 . 19971 1 1588 . 1 1 136 136 PRO HD3 H 1 3.814 0.004 . 1 . 1049 . . 136 PRO HD3 . 19971 1 1589 . 1 1 136 136 PRO C C 13 176.933 0.0 . 1 . 1203 . . 136 PRO C . 19971 1 1590 . 1 1 136 136 PRO CA C 13 64.063 0.05 . 1 . 585 . . 136 PRO CA . 19971 1 1591 . 1 1 136 136 PRO CB C 13 32.112 0.032 . 1 . 584 . . 136 PRO CB . 19971 1 1592 . 1 1 136 136 PRO CG C 13 27.309 0.068 . 1 . 892 . . 136 PRO CG . 19971 1 1593 . 1 1 136 136 PRO CD C 13 50.984 0.093 . 1 . 893 . . 136 PRO CD . 19971 1 1594 . 1 1 137 137 ALA H H 1 8.343 0.003 . 1 . 238 . . 137 ALA H . 19971 1 1595 . 1 1 137 137 ALA HA H 1 4.172 0.002 . 1 . 610 . . 137 ALA HA . 19971 1 1596 . 1 1 137 137 ALA HB1 H 1 1.268 0.002 . 1 . 611 . . 137 ALA HB1 . 19971 1 1597 . 1 1 137 137 ALA HB2 H 1 1.268 0.002 . 1 . 611 . . 137 ALA HB2 . 19971 1 1598 . 1 1 137 137 ALA HB3 H 1 1.268 0.002 . 1 . 611 . . 137 ALA HB3 . 19971 1 1599 . 1 1 137 137 ALA C C 13 177.938 0.0 . 1 . 1204 . . 137 ALA C . 19971 1 1600 . 1 1 137 137 ALA CA C 13 53.030 0.031 . 1 . 350 . . 137 ALA CA . 19971 1 1601 . 1 1 137 137 ALA CB C 13 18.737 0.062 . 1 . 349 . . 137 ALA CB . 19971 1 1602 . 1 1 137 137 ALA N N 15 121.178 0.022 . 1 . 239 . . 137 ALA N . 19971 1 1603 . 1 1 138 138 HIS H H 1 7.841 0.004 . 1 . 242 . . 138 HIS H . 19971 1 1604 . 1 1 138 138 HIS HA H 1 4.566 0.003 . 1 . 795 . . 138 HIS HA . 19971 1 1605 . 1 1 138 138 HIS HB2 H 1 3.128 0.006 . 2 . 796 . . 138 HIS HB2 . 19971 1 1606 . 1 1 138 138 HIS HB3 H 1 2.983 0.006 . 2 . 797 . . 138 HIS HB3 . 19971 1 1607 . 1 1 138 138 HIS C C 13 175.404 0.0 . 1 . 1205 . . 138 HIS C . 19971 1 1608 . 1 1 138 138 HIS CA C 13 56.252 0.062 . 1 . 348 . . 138 HIS CA . 19971 1 1609 . 1 1 138 138 HIS CB C 13 30.972 0.059 . 1 . 347 . . 138 HIS CB . 19971 1 1610 . 1 1 138 138 HIS N N 15 117.273 0.109 . 1 . 243 . . 138 HIS N . 19971 1 1611 . 1 1 139 139 SER H H 1 7.977 0.006 . 1 . 49 . . 139 SER H . 19971 1 1612 . 1 1 139 139 SER HA H 1 4.347 0.005 . 1 . 798 . . 139 SER HA . 19971 1 1613 . 1 1 139 139 SER HB2 H 1 3.726 0.001 . 2 . 799 . . 139 SER HB2 . 19971 1 1614 . 1 1 139 139 SER HB3 H 1 3.726 0.001 . 2 . 800 . . 139 SER HB3 . 19971 1 1615 . 1 1 139 139 SER C C 13 174.169 0.0 . 1 . 1206 . . 139 SER C . 19971 1 1616 . 1 1 139 139 SER CA C 13 58.681 0.043 . 1 . 346 . . 139 SER CA . 19971 1 1617 . 1 1 139 139 SER CB C 13 63.855 0.085 . 1 . 345 . . 139 SER CB . 19971 1 1618 . 1 1 139 139 SER N N 15 115.934 0.029 . 1 . 50 . . 139 SER N . 19971 1 1619 . 1 1 140 140 PHE H H 1 8.217 0.005 . 1 . 80 . . 140 PHE H . 19971 1 1620 . 1 1 140 140 PHE HA H 1 4.558 0.004 . 1 . 801 . . 140 PHE HA . 19971 1 1621 . 1 1 140 140 PHE HB2 H 1 3.141 0.007 . 2 . 1053 . . 140 PHE HB2 . 19971 1 1622 . 1 1 140 140 PHE HB3 H 1 3.024 0.015 . 2 . 1054 . . 140 PHE HB3 . 19971 1 1623 . 1 1 140 140 PHE HD1 H 1 7.233 0.004 . 3 . 1631 . . 140 PHE HD1 . 19971 1 1624 . 1 1 140 140 PHE HD2 H 1 7.233 0.004 . 3 . 1631 . . 140 PHE HD2 . 19971 1 1625 . 1 1 140 140 PHE C C 13 175.476 0.0 . 1 . 1207 . . 140 PHE C . 19971 1 1626 . 1 1 140 140 PHE CA C 13 58.002 0.075 . 1 . 344 . . 140 PHE CA . 19971 1 1627 . 1 1 140 140 PHE CB C 13 39.124 0.072 . 1 . 343 . . 140 PHE CB . 19971 1 1628 . 1 1 140 140 PHE CD1 C 13 131.813 0.001 . 3 . 1630 . . 140 PHE CD1 . 19971 1 1629 . 1 1 140 140 PHE CD2 C 13 131.813 0.001 . 3 . 1630 . . 140 PHE CD2 . 19971 1 1630 . 1 1 140 140 PHE N N 15 121.295 0.015 . 1 . 81 . . 140 PHE N . 19971 1 1631 . 1 1 141 141 GLN H H 1 8.094 0.004 . 1 . 43 . . 141 GLN H . 19971 1 1632 . 1 1 141 141 GLN HA H 1 4.279 0.002 . 1 . 802 . . 141 GLN HA . 19971 1 1633 . 1 1 141 141 GLN HB2 H 1 2.044 0.002 . 2 . 803 . . 141 GLN HB2 . 19971 1 1634 . 1 1 141 141 GLN HB3 H 1 1.924 0.002 . 2 . 804 . . 141 GLN HB3 . 19971 1 1635 . 1 1 141 141 GLN HG2 H 1 2.275 0.003 . 2 . 941 . . 141 GLN HG2 . 19971 1 1636 . 1 1 141 141 GLN HG3 H 1 2.275 0.003 . 2 . 940 . . 141 GLN HG3 . 19971 1 1637 . 1 1 141 141 GLN HE21 H 1 7.467 0.005 . 1 . 1533 . . 141 GLN HE21 . 19971 1 1638 . 1 1 141 141 GLN HE22 H 1 6.820 0.001 . 1 . 1534 . . 141 GLN HE22 . 19971 1 1639 . 1 1 141 141 GLN C C 13 175.652 0.0 . 1 . 1208 . . 141 GLN C . 19971 1 1640 . 1 1 141 141 GLN CA C 13 55.898 0.023 . 1 . 405 . . 141 GLN CA . 19971 1 1641 . 1 1 141 141 GLN CB C 13 29.677 0.025 . 1 . 404 . . 141 GLN CB . 19971 1 1642 . 1 1 141 141 GLN CG C 13 33.884 0.089 . 1 . 894 . . 141 GLN CG . 19971 1 1643 . 1 1 141 141 GLN CD C 13 180.381 0.002 . 1 . 1538 . . 141 GLN CD . 19971 1 1644 . 1 1 141 141 GLN N N 15 121.005 0.021 . 1 . 44 . . 141 GLN N . 19971 1 1645 . 1 1 141 141 GLN NE2 N 15 112.205 0.001 . 1 . 1532 . . 141 GLN NE2 . 19971 1 1646 . 1 1 142 142 GLU H H 1 8.407 0.004 . 1 . 106 . . 142 GLU H . 19971 1 1647 . 1 1 142 142 GLU HA H 1 4.272 0.002 . 1 . 805 . . 142 GLU HA . 19971 1 1648 . 1 1 142 142 GLU HB2 H 1 2.061 0.006 . 2 . 806 . . 142 GLU HB2 . 19971 1 1649 . 1 1 142 142 GLU HB3 H 1 1.950 0.006 . 2 . 807 . . 142 GLU HB3 . 19971 1 1650 . 1 1 142 142 GLU HG2 H 1 2.255 0.008 . 2 . 943 . . 142 GLU HG2 . 19971 1 1651 . 1 1 142 142 GLU HG3 H 1 2.255 0.008 . 2 . 942 . . 142 GLU HG3 . 19971 1 1652 . 1 1 142 142 GLU C C 13 176.569 0.0 . 1 . 1209 . . 142 GLU C . 19971 1 1653 . 1 1 142 142 GLU CA C 13 56.929 0.025 . 1 . 439 . . 142 GLU CA . 19971 1 1654 . 1 1 142 142 GLU CB C 13 30.321 0.028 . 1 . 438 . . 142 GLU CB . 19971 1 1655 . 1 1 142 142 GLU CG C 13 36.481 0.008 . 1 . 895 . . 142 GLU CG . 19971 1 1656 . 1 1 142 142 GLU N N 15 122.091 0.017 . 1 . 107 . . 142 GLU N . 19971 1 1657 . 1 1 143 143 THR H H 1 8.135 0.005 . 1 . 206 . . 143 THR H . 19971 1 1658 . 1 1 143 143 THR HA H 1 4.330 0.004 . 1 . 842 . . 143 THR HA . 19971 1 1659 . 1 1 143 143 THR HB H 1 4.212 0.003 . 1 . 841 . . 143 THR HB . 19971 1 1660 . 1 1 143 143 THR HG21 H 1 1.183 0.003 . 1 . 944 . . 143 THR HG21 . 19971 1 1661 . 1 1 143 143 THR HG22 H 1 1.183 0.003 . 1 . 944 . . 143 THR HG22 . 19971 1 1662 . 1 1 143 143 THR HG23 H 1 1.183 0.003 . 1 . 944 . . 143 THR HG23 . 19971 1 1663 . 1 1 143 143 THR C C 13 174.131 0.0 . 1 . 1210 . . 143 THR C . 19971 1 1664 . 1 1 143 143 THR CA C 13 61.908 0.021 . 1 . 446 . . 143 THR CA . 19971 1 1665 . 1 1 143 143 THR CB C 13 69.791 0.053 . 1 . 447 . . 143 THR CB . 19971 1 1666 . 1 1 143 143 THR CG2 C 13 21.481 0.053 . 1 . 896 . . 143 THR CG2 . 19971 1 1667 . 1 1 143 143 THR N N 15 114.211 0.022 . 1 . 207 . . 143 THR N . 19971 1 1668 . 1 1 144 144 ASN H H 1 8.455 0.007 . 1 . 260 . . 144 ASN H . 19971 1 1669 . 1 1 144 144 ASN HA H 1 4.691 0.001 . 1 . 808 . . 144 ASN HA . 19971 1 1670 . 1 1 144 144 ASN HB2 H 1 2.792 0.002 . 2 . 809 . . 144 ASN HB2 . 19971 1 1671 . 1 1 144 144 ASN HB3 H 1 2.726 0.004 . 2 . 810 . . 144 ASN HB3 . 19971 1 1672 . 1 1 144 144 ASN HD21 H 1 7.561 0.007 . 1 . 1511 . . 144 ASN HD21 . 19971 1 1673 . 1 1 144 144 ASN HD22 H 1 6.868 0.006 . 1 . 1512 . . 144 ASN HD22 . 19971 1 1674 . 1 1 144 144 ASN C C 13 174.485 0.0 . 1 . 1211 . . 144 ASN C . 19971 1 1675 . 1 1 144 144 ASN CA C 13 53.270 0.05 . 1 . 386 . . 144 ASN CA . 19971 1 1676 . 1 1 144 144 ASN CB C 13 38.856 0.074 . 1 . 387 . . 144 ASN CB . 19971 1 1677 . 1 1 144 144 ASN CG C 13 177.138 0.0 . 1 . 1545 . . 144 ASN CG . 19971 1 1678 . 1 1 144 144 ASN N N 15 120.943 0.066 . 1 . 261 . . 144 ASN N . 19971 1 1679 . 1 1 144 144 ASN ND2 N 15 112.698 0.004 . 1 . 186 . . 144 ASN ND2 . 19971 1 1680 . 1 1 145 145 ILE H H 1 8.002 0.004 . 1 . 84 . . 145 ILE H . 19971 1 1681 . 1 1 145 145 ILE HA H 1 4.397 0.001 . 1 . 1283 . . 145 ILE HA . 19971 1 1682 . 1 1 145 145 ILE HB H 1 1.806 0.002 . 1 . 1284 . . 145 ILE HB . 19971 1 1683 . 1 1 145 145 ILE HG12 H 1 1.458 0.002 . 2 . 1285 . . 145 ILE HG12 . 19971 1 1684 . 1 1 145 145 ILE HG13 H 1 1.114 0.004 . 2 . 1286 . . 145 ILE HG13 . 19971 1 1685 . 1 1 145 145 ILE HG21 H 1 0.840 0.006 . 1 . 1287 . . 145 ILE HG21 . 19971 1 1686 . 1 1 145 145 ILE HG22 H 1 0.840 0.006 . 1 . 1287 . . 145 ILE HG22 . 19971 1 1687 . 1 1 145 145 ILE HG23 H 1 0.840 0.006 . 1 . 1287 . . 145 ILE HG23 . 19971 1 1688 . 1 1 145 145 ILE HD11 H 1 0.829 0.002 . 1 . 1290 . . 145 ILE HD11 . 19971 1 1689 . 1 1 145 145 ILE HD12 H 1 0.829 0.002 . 1 . 1290 . . 145 ILE HD12 . 19971 1 1690 . 1 1 145 145 ILE HD13 H 1 0.829 0.002 . 1 . 1290 . . 145 ILE HD13 . 19971 1 1691 . 1 1 145 145 ILE CA C 13 58.861 0.066 . 1 . 588 . . 145 ILE CA . 19971 1 1692 . 1 1 145 145 ILE CB C 13 38.719 0.048 . 1 . 587 . . 145 ILE CB . 19971 1 1693 . 1 1 145 145 ILE CG1 C 13 26.932 0.065 . 1 . 1288 . . 145 ILE CG1 . 19971 1 1694 . 1 1 145 145 ILE CG2 C 13 17.246 0.082 . 1 . 1291 . . 145 ILE CG2 . 19971 1 1695 . 1 1 145 145 ILE CD1 C 13 12.648 0.067 . 1 . 1289 . . 145 ILE CD1 . 19971 1 1696 . 1 1 145 145 ILE N N 15 122.460 0.074 . 1 . 85 . . 145 ILE N . 19971 1 1697 . 1 1 146 146 PRO HA H 1 4.357 0.003 . 1 . 811 . . 146 PRO HA . 19971 1 1698 . 1 1 146 146 PRO HB2 H 1 2.189 0.005 . 2 . 812 . . 146 PRO HB2 . 19971 1 1699 . 1 1 146 146 PRO HB3 H 1 1.805 0.006 . 2 . 813 . . 146 PRO HB3 . 19971 1 1700 . 1 1 146 146 PRO HG2 H 1 1.950 0.004 . 2 . 946 . . 146 PRO HG2 . 19971 1 1701 . 1 1 146 146 PRO HG3 H 1 1.950 0.004 . 2 . 945 . . 146 PRO HG3 . 19971 1 1702 . 1 1 146 146 PRO HD2 H 1 3.814 0.003 . 2 . 1495 . . 146 PRO HD2 . 19971 1 1703 . 1 1 146 146 PRO HD3 H 1 3.618 0.003 . 2 . 1496 . . 146 PRO HD3 . 19971 1 1704 . 1 1 146 146 PRO C C 13 176.356 0.0 . 1 . 1212 . . 146 PRO C . 19971 1 1705 . 1 1 146 146 PRO CA C 13 63.362 0.025 . 1 . 589 . . 146 PRO CA . 19971 1 1706 . 1 1 146 146 PRO CB C 13 31.866 0.017 . 1 . 590 . . 146 PRO CB . 19971 1 1707 . 1 1 146 146 PRO CG C 13 27.314 0.042 . 1 . 898 . . 146 PRO CG . 19971 1 1708 . 1 1 146 146 PRO CD C 13 50.973 0.052 . 1 . 897 . . 146 PRO CD . 19971 1 1709 . 1 1 147 147 TYR H H 1 8.007 0.005 . 1 . 33 . . 147 TYR H . 19971 1 1710 . 1 1 147 147 TYR HA H 1 4.488 0.004 . 1 . 814 . . 147 TYR HA . 19971 1 1711 . 1 1 147 147 TYR HB2 H 1 2.968 0.008 . 2 . 816 . . 147 TYR HB2 . 19971 1 1712 . 1 1 147 147 TYR HB3 H 1 2.969 0.008 . 2 . 815 . . 147 TYR HB3 . 19971 1 1713 . 1 1 147 147 TYR HD1 H 1 7.072 0.006 . 3 . 1623 . . 147 TYR HD1 . 19971 1 1714 . 1 1 147 147 TYR HD2 H 1 7.072 0.006 . 3 . 1623 . . 147 TYR HD2 . 19971 1 1715 . 1 1 147 147 TYR HE1 H 1 6.795 0.006 . 3 . 1624 . . 147 TYR HE1 . 19971 1 1716 . 1 1 147 147 TYR HE2 H 1 6.795 0.006 . 3 . 1624 . . 147 TYR HE2 . 19971 1 1717 . 1 1 147 147 TYR C C 13 175.324 0.0 . 1 . 1213 . . 147 TYR C . 19971 1 1718 . 1 1 147 147 TYR CA C 13 57.902 0.055 . 1 . 303 . . 147 TYR CA . 19971 1 1719 . 1 1 147 147 TYR CB C 13 38.816 0.073 . 1 . 304 . . 147 TYR CB . 19971 1 1720 . 1 1 147 147 TYR CD1 C 13 133.201 0.022 . 3 . 1622 . . 147 TYR CD1 . 19971 1 1721 . 1 1 147 147 TYR CD2 C 13 133.201 0.022 . 3 . 1622 . . 147 TYR CD2 . 19971 1 1722 . 1 1 147 147 TYR CE1 C 13 118.216 0.028 . 3 . 1625 . . 147 TYR CE1 . 19971 1 1723 . 1 1 147 147 TYR CE2 C 13 118.216 0.028 . 3 . 1625 . . 147 TYR CE2 . 19971 1 1724 . 1 1 147 147 TYR N N 15 120.291 0.019 . 1 . 34 . . 147 TYR N . 19971 1 1725 . 1 1 148 148 LYS H H 1 8.042 0.004 . 1 . 159 . . 148 LYS H . 19971 1 1726 . 1 1 148 148 LYS HA H 1 4.268 0.005 . 1 . 817 . . 148 LYS HA . 19971 1 1727 . 1 1 148 148 LYS HB2 H 1 1.727 0.005 . 2 . 818 . . 148 LYS HB2 . 19971 1 1728 . 1 1 148 148 LYS HB3 H 1 1.632 0.006 . 2 . 819 . . 148 LYS HB3 . 19971 1 1729 . 1 1 148 148 LYS HG2 H 1 1.280 0.003 . 2 . 947 . . 148 LYS HG2 . 19971 1 1730 . 1 1 148 148 LYS HG3 H 1 1.317 0.008 . 2 . 1057 . . 148 LYS HG3 . 19971 1 1731 . 1 1 148 148 LYS HD2 H 1 1.621 0.002 . 1 . 1497 . . 148 LYS HD2 . 19971 1 1732 . 1 1 148 148 LYS HD3 H 1 1.621 0.002 . 1 . 1498 . . 148 LYS HD3 . 19971 1 1733 . 1 1 148 148 LYS HE2 H 1 2.937 0.002 . 2 . 1056 . . 148 LYS HE2 . 19971 1 1734 . 1 1 148 148 LYS HE3 H 1 2.937 0.002 . 2 . 1055 . . 148 LYS HE3 . 19971 1 1735 . 1 1 148 148 LYS C C 13 175.846 0.0 . 1 . 1214 . . 148 LYS C . 19971 1 1736 . 1 1 148 148 LYS CA C 13 55.986 0.047 . 1 . 301 . . 148 LYS CA . 19971 1 1737 . 1 1 148 148 LYS CB C 13 33.378 0.019 . 1 . 302 . . 148 LYS CB . 19971 1 1738 . 1 1 148 148 LYS CG C 13 24.636 0.019 . 1 . 899 . . 148 LYS CG . 19971 1 1739 . 1 1 148 148 LYS CD C 13 29.113 0.053 . 1 . 1499 . . 148 LYS CD . 19971 1 1740 . 1 1 148 148 LYS CE C 13 42.209 0.021 . 1 . 1058 . . 148 LYS CE . 19971 1 1741 . 1 1 148 148 LYS N N 15 123.461 0.017 . 1 . 160 . . 148 LYS N . 19971 1 1742 . 1 1 149 149 VAL H H 1 8.069 0.004 . 1 . 5 . . 149 VAL H . 19971 1 1743 . 1 1 149 149 VAL HA H 1 4.022 0.002 . 1 . 1500 . . 149 VAL HA . 19971 1 1744 . 1 1 149 149 VAL HB H 1 2.012 0.002 . 1 . 1501 . . 149 VAL HB . 19971 1 1745 . 1 1 149 149 VAL HG11 H 1 0.894 0.004 . 2 . 949 . . 149 VAL HG11 . 19971 1 1746 . 1 1 149 149 VAL HG12 H 1 0.894 0.004 . 2 . 949 . . 149 VAL HG12 . 19971 1 1747 . 1 1 149 149 VAL HG13 H 1 0.894 0.004 . 2 . 949 . . 149 VAL HG13 . 19971 1 1748 . 1 1 149 149 VAL HG21 H 1 0.914 0.007 . 2 . 948 . . 149 VAL HG21 . 19971 1 1749 . 1 1 149 149 VAL HG22 H 1 0.914 0.007 . 2 . 948 . . 149 VAL HG22 . 19971 1 1750 . 1 1 149 149 VAL HG23 H 1 0.914 0.007 . 2 . 948 . . 149 VAL HG23 . 19971 1 1751 . 1 1 149 149 VAL C C 13 176.103 0.0 . 1 . 1215 . . 149 VAL C . 19971 1 1752 . 1 1 149 149 VAL CA C 13 62.446 0.039 . 1 . 500 . . 149 VAL CA . 19971 1 1753 . 1 1 149 149 VAL CB C 13 32.756 0.049 . 1 . 501 . . 149 VAL CB . 19971 1 1754 . 1 1 149 149 VAL CG1 C 13 20.893 0.033 . 2 . 1502 . . 149 VAL CG1 . 19971 1 1755 . 1 1 149 149 VAL CG2 C 13 20.441 0.0 . 2 . 1503 . . 149 VAL CG2 . 19971 1 1756 . 1 1 149 149 VAL N N 15 121.671 0.032 . 1 . 6 . . 149 VAL N . 19971 1 1757 . 1 1 150 150 SER H H 1 8.310 0.007 . 1 . 497 . . 150 SER H . 19971 1 1758 . 1 1 150 150 SER HA H 1 4.336 0.0 . 1 . 820 . . 150 SER HA . 19971 1 1759 . 1 1 150 150 SER HB2 H 1 3.718 0.0 . 1 . 821 . . 150 SER HB2 . 19971 1 1760 . 1 1 150 150 SER HB3 H 1 3.718 0.0 . 1 . 822 . . 150 SER HB3 . 19971 1 1761 . 1 1 150 150 SER C C 13 174.259 0.0 . 1 . 1216 . . 150 SER C . 19971 1 1762 . 1 1 150 150 SER CA C 13 58.184 0.064 . 1 . 419 . . 150 SER CA . 19971 1 1763 . 1 1 150 150 SER CB C 13 63.956 0.022 . 1 . 499 . . 150 SER CB . 19971 1 1764 . 1 1 150 150 SER N N 15 119.318 0.038 . 1 . 498 . . 150 SER N . 19971 1 1765 . 1 1 151 151 ALA H H 1 8.240 0.008 . 1 . 145 . . 151 ALA H . 19971 1 1766 . 1 1 151 151 ALA HA H 1 4.212 0.003 . 1 . 625 . . 151 ALA HA . 19971 1 1767 . 1 1 151 151 ALA HB1 H 1 1.228 0.003 . 1 . 624 . . 151 ALA HB1 . 19971 1 1768 . 1 1 151 151 ALA HB2 H 1 1.228 0.003 . 1 . 624 . . 151 ALA HB2 . 19971 1 1769 . 1 1 151 151 ALA HB3 H 1 1.228 0.003 . 1 . 624 . . 151 ALA HB3 . 19971 1 1770 . 1 1 151 151 ALA C C 13 177.197 0.0 . 1 . 1217 . . 151 ALA C . 19971 1 1771 . 1 1 151 151 ALA CA C 13 52.853 0.042 . 1 . 459 . . 151 ALA CA . 19971 1 1772 . 1 1 151 151 ALA CB C 13 19.099 0.026 . 1 . 460 . . 151 ALA CB . 19971 1 1773 . 1 1 151 151 ALA N N 15 125.700 0.018 . 1 . 146 . . 151 ALA N . 19971 1 1774 . 1 1 152 152 TRP H H 1 7.934 0.005 . 1 . 35 . . 152 TRP H . 19971 1 1775 . 1 1 152 152 TRP HA H 1 4.603 0.001 . 1 . 1504 . . 152 TRP HA . 19971 1 1776 . 1 1 152 152 TRP HB2 H 1 3.251 0.001 . 2 . 1408 . . 152 TRP HB2 . 19971 1 1777 . 1 1 152 152 TRP HB3 H 1 3.175 0.002 . 2 . 1505 . . 152 TRP HB3 . 19971 1 1778 . 1 1 152 152 TRP HE1 H 1 10.095 0.001 . 1 . 77 . . 152 TRP HE1 . 19971 1 1779 . 1 1 152 152 TRP HZ2 H 1 7.429 0.004 . 1 . 1521 . . 152 TRP HZ2 . 19971 1 1780 . 1 1 152 152 TRP HZ3 H 1 7.060 0.004 . 1 . 1524 . . 152 TRP HZ3 . 19971 1 1781 . 1 1 152 152 TRP HH2 H 1 7.154 0.003 . 1 . 1522 . . 152 TRP HH2 . 19971 1 1782 . 1 1 152 152 TRP C C 13 177.930 0.0 . 1 . 1218 . . 152 TRP C . 19971 1 1783 . 1 1 152 152 TRP CA C 13 57.270 0.031 . 1 . 514 . . 152 TRP CA . 19971 1 1784 . 1 1 152 152 TRP CB C 13 29.709 0.024 . 1 . 515 . . 152 TRP CB . 19971 1 1785 . 1 1 152 152 TRP CZ2 C 13 114.499 0.063 . 1 . 1520 . . 152 TRP CZ2 . 19971 1 1786 . 1 1 152 152 TRP CZ3 C 13 121.876 0.016 . 1 . 1525 . . 152 TRP CZ3 . 19971 1 1787 . 1 1 152 152 TRP CH2 C 13 124.453 0.033 . 1 . 1523 . . 152 TRP CH2 . 19971 1 1788 . 1 1 152 152 TRP N N 15 119.068 0.018 . 1 . 36 . . 152 TRP N . 19971 1 1789 . 1 1 152 152 TRP NE1 N 15 129.244 0.022 . 1 . 78 . . 152 TRP NE1 . 19971 1 1790 . 1 1 153 153 SER H H 1 7.824 0.012 . 1 . 512 . . 153 SER H . 19971 1 1791 . 1 1 153 153 SER HA H 1 4.318 0.001 . 1 . 823 . . 153 SER HA . 19971 1 1792 . 1 1 153 153 SER HB2 H 1 3.671 0.018 . 2 . 824 . . 153 SER HB2 . 19971 1 1793 . 1 1 153 153 SER HB3 H 1 3.640 0.001 . 2 . 1506 . . 153 SER HB3 . 19971 1 1794 . 1 1 153 153 SER C C 13 173.204 0.0 . 1 . 1219 . . 153 SER C . 19971 1 1795 . 1 1 153 153 SER CA C 13 57.952 0.058 . 1 . 517 . . 153 SER CA . 19971 1 1796 . 1 1 153 153 SER CB C 13 63.892 0.083 . 1 . 516 . . 153 SER CB . 19971 1 1797 . 1 1 153 153 SER N N 15 116.976 0.034 . 1 . 513 . . 153 SER N . 19971 1 1798 . 1 1 154 154 HIS H H 1 8.040 0.004 . 1 . 220 . . 154 HIS H . 19971 1 1799 . 1 1 154 154 HIS HA H 1 4.696 0.001 . 1 . 1509 . . 154 HIS HA . 19971 1 1800 . 1 1 154 154 HIS HB2 H 1 3.034 0.002 . 2 . 1507 . . 154 HIS HB2 . 19971 1 1801 . 1 1 154 154 HIS HB3 H 1 2.945 0.001 . 2 . 1508 . . 154 HIS HB3 . 19971 1 1802 . 1 1 154 154 HIS CA C 13 54.713 0.043 . 1 . 591 . . 154 HIS CA . 19971 1 1803 . 1 1 154 154 HIS CB C 13 30.737 0.044 . 1 . 592 . . 154 HIS CB . 19971 1 1804 . 1 1 154 154 HIS N N 15 122.653 0.026 . 1 . 221 . . 154 HIS N . 19971 1 1805 . 1 1 155 155 PRO HA H 1 4.324 0.005 . 1 . 825 . . 155 PRO HA . 19971 1 1806 . 1 1 155 155 PRO HB2 H 1 2.200 0.006 . 2 . 826 . . 155 PRO HB2 . 19971 1 1807 . 1 1 155 155 PRO HB3 H 1 1.763 0.006 . 2 . 827 . . 155 PRO HB3 . 19971 1 1808 . 1 1 155 155 PRO HG2 H 1 1.943 0.004 . 2 . 951 . . 155 PRO HG2 . 19971 1 1809 . 1 1 155 155 PRO HG3 H 1 1.944 0.003 . 2 . 950 . . 155 PRO HG3 . 19971 1 1810 . 1 1 155 155 PRO HD2 H 1 3.685 0.006 . 2 . 1059 . . 155 PRO HD2 . 19971 1 1811 . 1 1 155 155 PRO HD3 H 1 3.362 0.006 . 2 . 1060 . . 155 PRO HD3 . 19971 1 1812 . 1 1 155 155 PRO C C 13 176.829 0.0 . 1 . 1220 . . 155 PRO C . 19971 1 1813 . 1 1 155 155 PRO CA C 13 63.611 0.046 . 1 . 594 . . 155 PRO CA . 19971 1 1814 . 1 1 155 155 PRO CB C 13 32.106 0.102 . 1 . 593 . . 155 PRO CB . 19971 1 1815 . 1 1 155 155 PRO CG C 13 27.481 0.045 . 1 . 900 . . 155 PRO CG . 19971 1 1816 . 1 1 155 155 PRO CD C 13 50.658 0.035 . 1 . 901 . . 155 PRO CD . 19971 1 1817 . 1 1 156 156 GLN H H 1 8.714 0.005 . 1 . 262 . . 156 GLN H . 19971 1 1818 . 1 1 156 156 GLN HA H 1 4.245 0.002 . 1 . 828 . . 156 GLN HA . 19971 1 1819 . 1 1 156 156 GLN HB2 H 1 1.950 0.003 . 2 . 829 . . 156 GLN HB2 . 19971 1 1820 . 1 1 156 156 GLN HB3 H 1 1.869 0.002 . 2 . 830 . . 156 GLN HB3 . 19971 1 1821 . 1 1 156 156 GLN HG2 H 1 2.186 0.002 . 2 . 953 . . 156 GLN HG2 . 19971 1 1822 . 1 1 156 156 GLN HG3 H 1 2.186 0.002 . 2 . 952 . . 156 GLN HG3 . 19971 1 1823 . 1 1 156 156 GLN HE21 H 1 6.801 0.002 . 1 . 1537 . . 156 GLN HE21 . 19971 1 1824 . 1 1 156 156 GLN HE22 H 1 7.412 0.004 . 1 . 1535 . . 156 GLN HE22 . 19971 1 1825 . 1 1 156 156 GLN C C 13 175.595 0.0 . 1 . 1221 . . 156 GLN C . 19971 1 1826 . 1 1 156 156 GLN CA C 13 55.898 0.025 . 1 . 401 . . 156 GLN CA . 19971 1 1827 . 1 1 156 156 GLN CB C 13 29.416 0.013 . 1 . 400 . . 156 GLN CB . 19971 1 1828 . 1 1 156 156 GLN CG C 13 33.750 0.041 . 1 . 902 . . 156 GLN CG . 19971 1 1829 . 1 1 156 156 GLN CD C 13 180.437 0.006 . 1 . 1549 . . 156 GLN CD . 19971 1 1830 . 1 1 156 156 GLN N N 15 120.311 0.034 . 1 . 263 . . 156 GLN N . 19971 1 1831 . 1 1 156 156 GLN NE2 N 15 112.380 0.03 . 1 . 1536 . . 156 GLN NE2 . 19971 1 1832 . 1 1 157 157 PHE H H 1 8.129 0.004 . 1 . 96 . . 157 PHE H . 19971 1 1833 . 1 1 157 157 PHE HA H 1 4.658 0.002 . 1 . 720 . . 157 PHE HA . 19971 1 1834 . 1 1 157 157 PHE HB2 H 1 2.984 0.005 . 2 . 718 . . 157 PHE HB2 . 19971 1 1835 . 1 1 157 157 PHE HB3 H 1 3.192 0.004 . 2 . 719 . . 157 PHE HB3 . 19971 1 1836 . 1 1 157 157 PHE C C 13 175.397 0.0 . 1 . 1222 . . 157 PHE C . 19971 1 1837 . 1 1 157 157 PHE CA C 13 57.421 0.056 . 1 . 443 . . 157 PHE CA . 19971 1 1838 . 1 1 157 157 PHE CB C 13 39.784 0.041 . 1 . 442 . . 157 PHE CB . 19971 1 1839 . 1 1 157 157 PHE N N 15 120.408 0.015 . 1 . 97 . . 157 PHE N . 19971 1 1840 . 1 1 158 158 GLU H H 1 8.268 0.004 . 1 . 216 . . 158 GLU H . 19971 1 1841 . 1 1 158 158 GLU HA H 1 4.247 0.002 . 1 . 831 . . 158 GLU HA . 19971 1 1842 . 1 1 158 158 GLU HB2 H 1 2.025 0.006 . 2 . 832 . . 158 GLU HB2 . 19971 1 1843 . 1 1 158 158 GLU HB3 H 1 1.884 0.005 . 2 . 833 . . 158 GLU HB3 . 19971 1 1844 . 1 1 158 158 GLU HG2 H 1 2.202 0.005 . 2 . 955 . . 158 GLU HG2 . 19971 1 1845 . 1 1 158 158 GLU HG3 H 1 2.202 0.005 . 2 . 954 . . 158 GLU HG3 . 19971 1 1846 . 1 1 158 158 GLU C C 13 175.102 0.0 . 1 . 1223 . . 158 GLU C . 19971 1 1847 . 1 1 158 158 GLU CA C 13 56.603 0.03 . 1 . 503 . . 158 GLU CA . 19971 1 1848 . 1 1 158 158 GLU CB C 13 30.552 0.029 . 1 . 502 . . 158 GLU CB . 19971 1 1849 . 1 1 158 158 GLU CG C 13 36.354 0.04 . 1 . 903 . . 158 GLU CG . 19971 1 1850 . 1 1 158 158 GLU N N 15 122.621 0.008 . 1 . 217 . . 158 GLU N . 19971 1 1851 . 1 1 159 159 LYS H H 1 7.869 0.004 . 1 . 39 . . 159 LYS H . 19971 1 1852 . 1 1 159 159 LYS HA H 1 4.120 0.003 . 1 . 1072 . . 159 LYS HA . 19971 1 1853 . 1 1 159 159 LYS HB2 H 1 1.804 0.006 . 2 . 1075 . . 159 LYS HB2 . 19971 1 1854 . 1 1 159 159 LYS HB3 H 1 1.701 0.006 . 2 . 1076 . . 159 LYS HB3 . 19971 1 1855 . 1 1 159 159 LYS HG2 H 1 1.379 0.002 . 2 . 1080 . . 159 LYS HG2 . 19971 1 1856 . 1 1 159 159 LYS HG3 H 1 1.379 0.002 . 2 . 1079 . . 159 LYS HG3 . 19971 1 1857 . 1 1 159 159 LYS HD2 H 1 1.664 0.005 . 1 . 1078 . . 159 LYS HD2 . 19971 1 1858 . 1 1 159 159 LYS HD3 H 1 1.664 0.005 . 1 . 1077 . . 159 LYS HD3 . 19971 1 1859 . 1 1 159 159 LYS HE2 H 1 2.981 0.004 . 1 . 1074 . . 159 LYS HE2 . 19971 1 1860 . 1 1 159 159 LYS HE3 H 1 2.981 0.004 . 1 . 1073 . . 159 LYS HE3 . 19971 1 1861 . 1 1 159 159 LYS CA C 13 57.755 0.034 . 1 . 595 . . 159 LYS CA . 19971 1 1862 . 1 1 159 159 LYS CB C 13 33.828 0.082 . 1 . 596 . . 159 LYS CB . 19971 1 1863 . 1 1 159 159 LYS CG C 13 24.711 0.006 . 1 . 1081 . . 159 LYS CG . 19971 1 1864 . 1 1 159 159 LYS CD C 13 29.299 0.054 . 1 . 1082 . . 159 LYS CD . 19971 1 1865 . 1 1 159 159 LYS CE C 13 42.295 0.027 . 1 . 1083 . . 159 LYS CE . 19971 1 1866 . 1 1 159 159 LYS N N 15 127.136 0.009 . 1 . 40 . . 159 LYS N . 19971 1 stop_ save_