data_18994 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18994 _Entry.Title ; 1H, 13C and 15N chemical shift assignments for the N-terminal domain of the KCNH channel from Zebrafish ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-31 _Entry.Accession_date 2013-01-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'the N-terminal PAS domain of KCNH channel from Zebrafish (zNTD)' _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 'Young Mee' Kim . . . 18994 2 'Hui Qi' NG . . . 18994 3 Congbao Kang . . . 18994 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18994 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 538 18994 '15N chemical shifts' 138 18994 '1H chemical shifts' 926 18994 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 2 . . 2014-02-17 2013-01-31 update BMRB 'update entry citation' 18994 1 . . 2014-02-03 2013-01-31 original author 'original release' 18994 stop_ save_ ############### # Citations # ############### save_Entry_Citation _Citation.Sf_category citations _Citation.Sf_framecode Entry_Citation _Citation.Entry_ID 18994 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24414223 _Citation.Full_citation . _Citation.Title '(1)H, (13)C and (15)N chemical shift assignments for the cyclic-nucleotide binding homology domain of a KCNH channel.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _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 2014 _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 Qingxin Li . . . 18994 1 2 'Hui Qi' Ng . . . 18994 1 3 Congbao Kang . . . 18994 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 18994 1 'PAS domain' 18994 1 'resonance assignment' 18994 1 'Voltage gated potassium channel' 18994 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18994 _Assembly.ID 1 _Assembly.Name zNTD _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'a single polypeptide chain containing 1-139 of the KCNH channel from Zebrafish' _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 zNTD 1 $zNTD A . yes native no no . . . 18994 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2L4R . . 'solution NMR' . 'human homolog' . 18994 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_zNTD _Entity.Sf_category entity _Entity.Sf_framecode zNTD _Entity.Entry_ID 18994 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name zNTD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPVMRGLLAPQNTFLDTIAT RFDGTHSNFVLGNAQVQSLY PIVYCSDGFCELTGYARAEL MQKSCACHFLYGPETSDRLM AQIQGALDERREFKTELVFY KKGGTQFWCLLDIVPIKNEK GEVVLFLVSHKDITDNKKDL EHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; total 147aa 1-139 from zNTD ; _Entity.Polymer_author_seq_details 'Residues 140-147 represent a non-native affinity tag' _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 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 REF XP_001919436 . "PREDICTED: potassium voltage-gated channel subfamily H member 3 [Danio rerio]" . . . . . 94.56 1192 100.00 100.00 1.17e-93 . . . . 18994 1 2 no REF XP_007260506 . "PREDICTED: potassium voltage-gated channel subfamily H member 3-like [Astyanax mexicanus]" . . . . . 70.07 172 97.09 97.09 1.03e-67 . . . . 18994 1 3 no REF XP_008326080 . "PREDICTED: potassium voltage-gated channel subfamily H member 4-like [Cynoglossus semilaevis]" . . . . . 94.56 1243 97.12 97.84 3.93e-90 . . . . 18994 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 18994 1 2 2 PRO . 18994 1 3 3 VAL . 18994 1 4 4 MET . 18994 1 5 5 ARG . 18994 1 6 6 GLY . 18994 1 7 7 LEU . 18994 1 8 8 LEU . 18994 1 9 9 ALA . 18994 1 10 10 PRO . 18994 1 11 11 GLN . 18994 1 12 12 ASN . 18994 1 13 13 THR . 18994 1 14 14 PHE . 18994 1 15 15 LEU . 18994 1 16 16 ASP . 18994 1 17 17 THR . 18994 1 18 18 ILE . 18994 1 19 19 ALA . 18994 1 20 20 THR . 18994 1 21 21 ARG . 18994 1 22 22 PHE . 18994 1 23 23 ASP . 18994 1 24 24 GLY . 18994 1 25 25 THR . 18994 1 26 26 HIS . 18994 1 27 27 SER . 18994 1 28 28 ASN . 18994 1 29 29 PHE . 18994 1 30 30 VAL . 18994 1 31 31 LEU . 18994 1 32 32 GLY . 18994 1 33 33 ASN . 18994 1 34 34 ALA . 18994 1 35 35 GLN . 18994 1 36 36 VAL . 18994 1 37 37 GLN . 18994 1 38 38 SER . 18994 1 39 39 LEU . 18994 1 40 40 TYR . 18994 1 41 41 PRO . 18994 1 42 42 ILE . 18994 1 43 43 VAL . 18994 1 44 44 TYR . 18994 1 45 45 CYS . 18994 1 46 46 SER . 18994 1 47 47 ASP . 18994 1 48 48 GLY . 18994 1 49 49 PHE . 18994 1 50 50 CYS . 18994 1 51 51 GLU . 18994 1 52 52 LEU . 18994 1 53 53 THR . 18994 1 54 54 GLY . 18994 1 55 55 TYR . 18994 1 56 56 ALA . 18994 1 57 57 ARG . 18994 1 58 58 ALA . 18994 1 59 59 GLU . 18994 1 60 60 LEU . 18994 1 61 61 MET . 18994 1 62 62 GLN . 18994 1 63 63 LYS . 18994 1 64 64 SER . 18994 1 65 65 CYS . 18994 1 66 66 ALA . 18994 1 67 67 CYS . 18994 1 68 68 HIS . 18994 1 69 69 PHE . 18994 1 70 70 LEU . 18994 1 71 71 TYR . 18994 1 72 72 GLY . 18994 1 73 73 PRO . 18994 1 74 74 GLU . 18994 1 75 75 THR . 18994 1 76 76 SER . 18994 1 77 77 ASP . 18994 1 78 78 ARG . 18994 1 79 79 LEU . 18994 1 80 80 MET . 18994 1 81 81 ALA . 18994 1 82 82 GLN . 18994 1 83 83 ILE . 18994 1 84 84 GLN . 18994 1 85 85 GLY . 18994 1 86 86 ALA . 18994 1 87 87 LEU . 18994 1 88 88 ASP . 18994 1 89 89 GLU . 18994 1 90 90 ARG . 18994 1 91 91 ARG . 18994 1 92 92 GLU . 18994 1 93 93 PHE . 18994 1 94 94 LYS . 18994 1 95 95 THR . 18994 1 96 96 GLU . 18994 1 97 97 LEU . 18994 1 98 98 VAL . 18994 1 99 99 PHE . 18994 1 100 100 TYR . 18994 1 101 101 LYS . 18994 1 102 102 LYS . 18994 1 103 103 GLY . 18994 1 104 104 GLY . 18994 1 105 105 THR . 18994 1 106 106 GLN . 18994 1 107 107 PHE . 18994 1 108 108 TRP . 18994 1 109 109 CYS . 18994 1 110 110 LEU . 18994 1 111 111 LEU . 18994 1 112 112 ASP . 18994 1 113 113 ILE . 18994 1 114 114 VAL . 18994 1 115 115 PRO . 18994 1 116 116 ILE . 18994 1 117 117 LYS . 18994 1 118 118 ASN . 18994 1 119 119 GLU . 18994 1 120 120 LYS . 18994 1 121 121 GLY . 18994 1 122 122 GLU . 18994 1 123 123 VAL . 18994 1 124 124 VAL . 18994 1 125 125 LEU . 18994 1 126 126 PHE . 18994 1 127 127 LEU . 18994 1 128 128 VAL . 18994 1 129 129 SER . 18994 1 130 130 HIS . 18994 1 131 131 LYS . 18994 1 132 132 ASP . 18994 1 133 133 ILE . 18994 1 134 134 THR . 18994 1 135 135 ASP . 18994 1 136 136 ASN . 18994 1 137 137 LYS . 18994 1 138 138 LYS . 18994 1 139 139 ASP . 18994 1 140 140 LEU . 18994 1 141 141 GLU . 18994 1 142 142 HIS . 18994 1 143 143 HIS . 18994 1 144 144 HIS . 18994 1 145 145 HIS . 18994 1 146 146 HIS . 18994 1 147 147 HIS . 18994 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 18994 1 . PRO 2 2 18994 1 . VAL 3 3 18994 1 . MET 4 4 18994 1 . ARG 5 5 18994 1 . GLY 6 6 18994 1 . LEU 7 7 18994 1 . LEU 8 8 18994 1 . ALA 9 9 18994 1 . PRO 10 10 18994 1 . GLN 11 11 18994 1 . ASN 12 12 18994 1 . THR 13 13 18994 1 . PHE 14 14 18994 1 . LEU 15 15 18994 1 . ASP 16 16 18994 1 . THR 17 17 18994 1 . ILE 18 18 18994 1 . ALA 19 19 18994 1 . THR 20 20 18994 1 . ARG 21 21 18994 1 . PHE 22 22 18994 1 . ASP 23 23 18994 1 . GLY 24 24 18994 1 . THR 25 25 18994 1 . HIS 26 26 18994 1 . SER 27 27 18994 1 . ASN 28 28 18994 1 . PHE 29 29 18994 1 . VAL 30 30 18994 1 . LEU 31 31 18994 1 . GLY 32 32 18994 1 . ASN 33 33 18994 1 . ALA 34 34 18994 1 . GLN 35 35 18994 1 . VAL 36 36 18994 1 . GLN 37 37 18994 1 . SER 38 38 18994 1 . LEU 39 39 18994 1 . TYR 40 40 18994 1 . PRO 41 41 18994 1 . ILE 42 42 18994 1 . VAL 43 43 18994 1 . TYR 44 44 18994 1 . CYS 45 45 18994 1 . SER 46 46 18994 1 . ASP 47 47 18994 1 . GLY 48 48 18994 1 . PHE 49 49 18994 1 . CYS 50 50 18994 1 . GLU 51 51 18994 1 . LEU 52 52 18994 1 . THR 53 53 18994 1 . GLY 54 54 18994 1 . TYR 55 55 18994 1 . ALA 56 56 18994 1 . ARG 57 57 18994 1 . ALA 58 58 18994 1 . GLU 59 59 18994 1 . LEU 60 60 18994 1 . MET 61 61 18994 1 . GLN 62 62 18994 1 . LYS 63 63 18994 1 . SER 64 64 18994 1 . CYS 65 65 18994 1 . ALA 66 66 18994 1 . CYS 67 67 18994 1 . HIS 68 68 18994 1 . PHE 69 69 18994 1 . LEU 70 70 18994 1 . TYR 71 71 18994 1 . GLY 72 72 18994 1 . PRO 73 73 18994 1 . GLU 74 74 18994 1 . THR 75 75 18994 1 . SER 76 76 18994 1 . ASP 77 77 18994 1 . ARG 78 78 18994 1 . LEU 79 79 18994 1 . MET 80 80 18994 1 . ALA 81 81 18994 1 . GLN 82 82 18994 1 . ILE 83 83 18994 1 . GLN 84 84 18994 1 . GLY 85 85 18994 1 . ALA 86 86 18994 1 . LEU 87 87 18994 1 . ASP 88 88 18994 1 . GLU 89 89 18994 1 . ARG 90 90 18994 1 . ARG 91 91 18994 1 . GLU 92 92 18994 1 . PHE 93 93 18994 1 . LYS 94 94 18994 1 . THR 95 95 18994 1 . GLU 96 96 18994 1 . LEU 97 97 18994 1 . VAL 98 98 18994 1 . PHE 99 99 18994 1 . TYR 100 100 18994 1 . LYS 101 101 18994 1 . LYS 102 102 18994 1 . GLY 103 103 18994 1 . GLY 104 104 18994 1 . THR 105 105 18994 1 . GLN 106 106 18994 1 . PHE 107 107 18994 1 . TRP 108 108 18994 1 . CYS 109 109 18994 1 . LEU 110 110 18994 1 . LEU 111 111 18994 1 . ASP 112 112 18994 1 . ILE 113 113 18994 1 . VAL 114 114 18994 1 . PRO 115 115 18994 1 . ILE 116 116 18994 1 . LYS 117 117 18994 1 . ASN 118 118 18994 1 . GLU 119 119 18994 1 . LYS 120 120 18994 1 . GLY 121 121 18994 1 . GLU 122 122 18994 1 . VAL 123 123 18994 1 . VAL 124 124 18994 1 . LEU 125 125 18994 1 . PHE 126 126 18994 1 . LEU 127 127 18994 1 . VAL 128 128 18994 1 . SER 129 129 18994 1 . HIS 130 130 18994 1 . LYS 131 131 18994 1 . ASP 132 132 18994 1 . ILE 133 133 18994 1 . THR 134 134 18994 1 . ASP 135 135 18994 1 . ASN 136 136 18994 1 . LYS 137 137 18994 1 . LYS 138 138 18994 1 . ASP 139 139 18994 1 . LEU 140 140 18994 1 . GLU 141 141 18994 1 . HIS 142 142 18994 1 . HIS 143 143 18994 1 . HIS 144 144 18994 1 . HIS 145 145 18994 1 . HIS 146 146 18994 1 . HIS 147 147 18994 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 18994 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $zNTD . 7955 organism . 'Danio rerio' Zebrafish . . Eukaryota Metazoa Danio rerio gi159570347 . . . . . . . . . . . . . . . . . embCAP19539.1 . . 18994 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 18994 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $zNTD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'E.coli BL21 (DE3)' . . . . . . . . . . . . . . . 'pET29 b' . . . . . . 18994 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18994 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 15N labeled 20 mM phosphate at a pH of 6.5, 150 mM NaCl, 1 mM DTT and 10% D2O ; _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 zNTD '[U-100% 15N]' . . 1 $zNTD . . 0.5 . . mM . . . . 18994 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18994 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18994 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18994 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18994 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18994 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18994 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 13C/15N labeled 20 mM phosphate at a pH of 6.5, 150 mM NaCl, 1 mM DTT and 10% D2O ; _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 zNTD '[U-100% 13C; U-100% 15N]' . . 1 $zNTD . . 0.5 . . mM . . . . 18994 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18994 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18994 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18994 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18994 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18994 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18994 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 170 . mM 18994 1 pH 6.5 . pH 18994 1 pressure 1 . atm 18994 1 temperature 298 . K 18994 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18994 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18994 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18994 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18994 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18994 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18994 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18994 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18994 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18994 3 'peak picking' 18994 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18994 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18994 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 18994 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 cryoprobe . . 18994 1 2 spectrometer_2 Bruker Avance . 700 cryoprobe . . 18994 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 18994 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18994 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18994 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18994 1 4 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18994 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18994 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18994 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18994 1 8 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18994 1 9 '3D HCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18994 1 10 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18994 1 11 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18994 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18994 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18994 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 18994 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 internal direct 0.251449530 . . . . . . . . . 18994 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18994 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal direct 0.101329118 . . . . . . . . . 18994 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18994 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18994 1 2 '3D 1H-15N NOESY' . . . 18994 1 3 '3D HNCA' . . . 18994 1 4 '3D HN(CO)CA' . . . 18994 1 5 '3D HNCACB' . . . 18994 1 6 '3D CBCA(CO)NH' . . . 18994 1 7 '3D HNHA' . . . 18994 1 8 '3D HNCO' . . . 18994 1 9 '3D HCACO' . . . 18994 1 10 '3D C(CO)NH' . . . 18994 1 11 '3D H(CCO)NH' . . . 18994 1 12 '3D HCCH-TOCSY' . . . 18994 1 13 '3D 1H-13C NOESY aliphatic' . . . 18994 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 PRO HA H 1 4.424 0.020 . 1 . . . . 2 PRO HA . 18994 1 2 . 1 1 2 2 PRO HB2 H 1 2.331 0.020 . 2 . . . . 2 PRO HB2 . 18994 1 3 . 1 1 2 2 PRO HB3 H 1 1.924 0.020 . 2 . . . . 2 PRO HB3 . 18994 1 4 . 1 1 2 2 PRO HG2 H 1 2.025 0.020 . 2 . . . . 2 PRO HG2 . 18994 1 5 . 1 1 2 2 PRO HG3 H 1 2.025 0.020 . 2 . . . . 2 PRO HG3 . 18994 1 6 . 1 1 2 2 PRO HD2 H 1 3.795 0.020 . 2 . . . . 2 PRO HD2 . 18994 1 7 . 1 1 2 2 PRO HD3 H 1 3.660 0.020 . 2 . . . . 2 PRO HD3 . 18994 1 8 . 1 1 2 2 PRO CA C 13 63.459 0.400 . 1 . . . . 2 PRO CA . 18994 1 9 . 1 1 2 2 PRO CB C 13 32.066 0.400 . 1 . . . . 2 PRO CB . 18994 1 10 . 1 1 2 2 PRO CG C 13 27.643 0.400 . 1 . . . . 2 PRO CG . 18994 1 11 . 1 1 2 2 PRO CD C 13 50.519 0.400 . 1 . . . . 2 PRO CD . 18994 1 12 . 1 1 3 3 VAL HA H 1 4.112 0.020 . 1 . . . . 3 VAL HA . 18994 1 13 . 1 1 3 3 VAL HB H 1 2.032 0.020 . 1 . . . . 3 VAL HB . 18994 1 14 . 1 1 3 3 VAL HG11 H 1 0.936 0.020 . 2 . . . . 3 VAL HG1 . 18994 1 15 . 1 1 3 3 VAL HG12 H 1 0.936 0.020 . 2 . . . . 3 VAL HG1 . 18994 1 16 . 1 1 3 3 VAL HG13 H 1 0.936 0.020 . 2 . . . . 3 VAL HG1 . 18994 1 17 . 1 1 3 3 VAL HG21 H 1 0.936 0.020 . 2 . . . . 3 VAL HG2 . 18994 1 18 . 1 1 3 3 VAL HG22 H 1 0.936 0.020 . 2 . . . . 3 VAL HG2 . 18994 1 19 . 1 1 3 3 VAL HG23 H 1 0.936 0.020 . 2 . . . . 3 VAL HG2 . 18994 1 20 . 1 1 3 3 VAL C C 13 175.850 0.400 . 1 . . . . 3 VAL C . 18994 1 21 . 1 1 3 3 VAL CA C 13 62.753 0.400 . 1 . . . . 3 VAL CA . 18994 1 22 . 1 1 3 3 VAL CB C 13 32.719 0.400 . 1 . . . . 3 VAL CB . 18994 1 23 . 1 1 3 3 VAL CG1 C 13 20.986 0.400 . 1 . . . . 3 VAL CG1 . 18994 1 24 . 1 1 4 4 MET H H 1 8.605 0.020 . 1 . . . . 4 MET H . 18994 1 25 . 1 1 4 4 MET HA H 1 4.522 0.020 . 1 . . . . 4 MET HA . 18994 1 26 . 1 1 4 4 MET HB2 H 1 2.026 0.020 . 2 . . . . 4 MET HB2 . 18994 1 27 . 1 1 4 4 MET HB3 H 1 2.026 0.020 . 2 . . . . 4 MET HB3 . 18994 1 28 . 1 1 4 4 MET HG2 H 1 2.568 0.020 . 2 . . . . 4 MET HG2 . 18994 1 29 . 1 1 4 4 MET HG3 H 1 2.568 0.020 . 2 . . . . 4 MET HG3 . 18994 1 30 . 1 1 4 4 MET HE1 H 1 1.889 0.020 . 1 . . . . 4 MET HE . 18994 1 31 . 1 1 4 4 MET HE2 H 1 1.889 0.020 . 1 . . . . 4 MET HE . 18994 1 32 . 1 1 4 4 MET HE3 H 1 1.889 0.020 . 1 . . . . 4 MET HE . 18994 1 33 . 1 1 4 4 MET C C 13 175.792 0.400 . 1 . . . . 4 MET C . 18994 1 34 . 1 1 4 4 MET CA C 13 55.239 0.400 . 1 . . . . 4 MET CA . 18994 1 35 . 1 1 4 4 MET CB C 13 32.762 0.400 . 1 . . . . 4 MET CB . 18994 1 36 . 1 1 4 4 MET CG C 13 31.990 0.400 . 1 . . . . 4 MET CG . 18994 1 37 . 1 1 4 4 MET CE C 13 16.181 0.400 . 1 . . . . 4 MET CE . 18994 1 38 . 1 1 4 4 MET N N 15 125.361 0.400 . 1 . . . . 4 MET N . 18994 1 39 . 1 1 5 5 ARG H H 1 8.459 0.020 . 1 . . . . 5 ARG H . 18994 1 40 . 1 1 5 5 ARG HA H 1 4.334 0.020 . 1 . . . . 5 ARG HA . 18994 1 41 . 1 1 5 5 ARG HB2 H 1 1.785 0.020 . 2 . . . . 5 ARG HB2 . 18994 1 42 . 1 1 5 5 ARG HB3 H 1 1.785 0.020 . 2 . . . . 5 ARG HB3 . 18994 1 43 . 1 1 5 5 ARG HG2 H 1 1.656 0.020 . 2 . . . . 5 ARG HG2 . 18994 1 44 . 1 1 5 5 ARG HG3 H 1 1.656 0.020 . 2 . . . . 5 ARG HG3 . 18994 1 45 . 1 1 5 5 ARG HD2 H 1 3.194 0.020 . 2 . . . . 5 ARG HD2 . 18994 1 46 . 1 1 5 5 ARG HD3 H 1 3.194 0.020 . 2 . . . . 5 ARG HD3 . 18994 1 47 . 1 1 5 5 ARG C C 13 176.590 0.400 . 1 . . . . 5 ARG C . 18994 1 48 . 1 1 5 5 ARG CA C 13 56.252 0.400 . 1 . . . . 5 ARG CA . 18994 1 49 . 1 1 5 5 ARG CB C 13 30.956 0.400 . 1 . . . . 5 ARG CB . 18994 1 50 . 1 1 5 5 ARG CG C 13 27.243 0.400 . 1 . . . . 5 ARG CG . 18994 1 51 . 1 1 5 5 ARG CD C 13 43.272 0.400 . 1 . . . . 5 ARG CD . 18994 1 52 . 1 1 5 5 ARG N N 15 123.246 0.400 . 1 . . . . 5 ARG N . 18994 1 53 . 1 1 6 6 GLY H H 1 8.492 0.020 . 1 . . . . 6 GLY H . 18994 1 54 . 1 1 6 6 GLY HA2 H 1 3.926 0.020 . 2 . . . . 6 GLY HA2 . 18994 1 55 . 1 1 6 6 GLY HA3 H 1 3.926 0.020 . 2 . . . . 6 GLY HA3 . 18994 1 56 . 1 1 6 6 GLY C C 13 173.980 0.400 . 1 . . . . 6 GLY C . 18994 1 57 . 1 1 6 6 GLY CA C 13 45.289 0.400 . 1 . . . . 6 GLY CA . 18994 1 58 . 1 1 6 6 GLY N N 15 110.061 0.400 . 1 . . . . 6 GLY N . 18994 1 59 . 1 1 7 7 LEU H H 1 8.132 0.020 . 1 . . . . 7 LEU H . 18994 1 60 . 1 1 7 7 LEU HA H 1 4.325 0.020 . 1 . . . . 7 LEU HA . 18994 1 61 . 1 1 7 7 LEU HB2 H 1 1.617 0.020 . 2 . . . . 7 LEU HB2 . 18994 1 62 . 1 1 7 7 LEU HB3 H 1 1.617 0.020 . 2 . . . . 7 LEU HB3 . 18994 1 63 . 1 1 7 7 LEU HG H 1 1.591 0.020 . 1 . . . . 7 LEU HG . 18994 1 64 . 1 1 7 7 LEU HD11 H 1 0.899 0.020 . 2 . . . . 7 LEU HD1 . 18994 1 65 . 1 1 7 7 LEU HD12 H 1 0.899 0.020 . 2 . . . . 7 LEU HD1 . 18994 1 66 . 1 1 7 7 LEU HD13 H 1 0.899 0.020 . 2 . . . . 7 LEU HD1 . 18994 1 67 . 1 1 7 7 LEU HD21 H 1 0.854 0.020 . 2 . . . . 7 LEU HD2 . 18994 1 68 . 1 1 7 7 LEU HD22 H 1 0.854 0.020 . 2 . . . . 7 LEU HD2 . 18994 1 69 . 1 1 7 7 LEU HD23 H 1 0.854 0.020 . 2 . . . . 7 LEU HD2 . 18994 1 70 . 1 1 7 7 LEU C C 13 177.192 0.400 . 1 . . . . 7 LEU C . 18994 1 71 . 1 1 7 7 LEU CA C 13 55.363 0.400 . 1 . . . . 7 LEU CA . 18994 1 72 . 1 1 7 7 LEU CB C 13 42.445 0.400 . 1 . . . . 7 LEU CB . 18994 1 73 . 1 1 7 7 LEU CG C 13 27.143 0.400 . 1 . . . . 7 LEU CG . 18994 1 74 . 1 1 7 7 LEU CD1 C 13 25.087 0.400 . 1 . . . . 7 LEU CD1 . 18994 1 75 . 1 1 7 7 LEU CD2 C 13 23.585 0.400 . 1 . . . . 7 LEU CD2 . 18994 1 76 . 1 1 7 7 LEU N N 15 121.573 0.400 . 1 . . . . 7 LEU N . 18994 1 77 . 1 1 8 8 LEU H H 1 8.234 0.020 . 1 . . . . 8 LEU H . 18994 1 78 . 1 1 8 8 LEU HA H 1 4.371 0.020 . 1 . . . . 8 LEU HA . 18994 1 79 . 1 1 8 8 LEU HB2 H 1 1.619 0.020 . 2 . . . . 8 LEU HB2 . 18994 1 80 . 1 1 8 8 LEU HB3 H 1 1.619 0.020 . 2 . . . . 8 LEU HB3 . 18994 1 81 . 1 1 8 8 LEU HD11 H 1 0.879 0.020 . 2 . . . . 8 LEU HD1 . 18994 1 82 . 1 1 8 8 LEU HD12 H 1 0.879 0.020 . 2 . . . . 8 LEU HD1 . 18994 1 83 . 1 1 8 8 LEU HD13 H 1 0.879 0.020 . 2 . . . . 8 LEU HD1 . 18994 1 84 . 1 1 8 8 LEU HD21 H 1 0.879 0.020 . 2 . . . . 8 LEU HD2 . 18994 1 85 . 1 1 8 8 LEU HD22 H 1 0.879 0.020 . 2 . . . . 8 LEU HD2 . 18994 1 86 . 1 1 8 8 LEU HD23 H 1 0.879 0.020 . 2 . . . . 8 LEU HD2 . 18994 1 87 . 1 1 8 8 LEU C C 13 176.590 0.400 . 1 . . . . 8 LEU C . 18994 1 88 . 1 1 8 8 LEU CA C 13 54.778 0.400 . 1 . . . . 8 LEU CA . 18994 1 89 . 1 1 8 8 LEU CB C 13 42.299 0.400 . 1 . . . . 8 LEU CB . 18994 1 90 . 1 1 8 8 LEU CG C 13 27.112 0.400 . 1 . . . . 8 LEU CG . 18994 1 91 . 1 1 8 8 LEU CD1 C 13 25.085 0.400 . 1 . . . . 8 LEU CD1 . 18994 1 92 . 1 1 8 8 LEU CD2 C 13 23.496 0.400 . 1 . . . . 8 LEU CD2 . 18994 1 93 . 1 1 8 8 LEU N N 15 122.224 0.400 . 1 . . . . 8 LEU N . 18994 1 94 . 1 1 9 9 ALA H H 1 8.170 0.020 . 1 . . . . 9 ALA H . 18994 1 95 . 1 1 9 9 ALA HA H 1 4.577 0.020 . 1 . . . . 9 ALA HA . 18994 1 96 . 1 1 9 9 ALA HB1 H 1 1.363 0.020 . 1 . . . . 9 ALA HB . 18994 1 97 . 1 1 9 9 ALA HB2 H 1 1.363 0.020 . 1 . . . . 9 ALA HB . 18994 1 98 . 1 1 9 9 ALA HB3 H 1 1.363 0.020 . 1 . . . . 9 ALA HB . 18994 1 99 . 1 1 9 9 ALA C C 13 175.625 0.400 . 1 . . . . 9 ALA C . 18994 1 100 . 1 1 9 9 ALA CA C 13 50.680 0.400 . 1 . . . . 9 ALA CA . 18994 1 101 . 1 1 9 9 ALA CB C 13 18.286 0.400 . 1 . . . . 9 ALA CB . 18994 1 102 . 1 1 9 9 ALA N N 15 125.697 0.400 . 1 . . . . 9 ALA N . 18994 1 103 . 1 1 10 10 PRO HA H 1 4.449 0.020 . 1 . . . . 10 PRO HA . 18994 1 104 . 1 1 10 10 PRO HB2 H 1 2.448 0.020 . 2 . . . . 10 PRO HB2 . 18994 1 105 . 1 1 10 10 PRO HB3 H 1 2.042 0.020 . 2 . . . . 10 PRO HB3 . 18994 1 106 . 1 1 10 10 PRO HG2 H 1 1.997 0.020 . 2 . . . . 10 PRO HG2 . 18994 1 107 . 1 1 10 10 PRO HG3 H 1 1.997 0.020 . 2 . . . . 10 PRO HG3 . 18994 1 108 . 1 1 10 10 PRO HD2 H 1 3.423 0.020 . 2 . . . . 10 PRO HD2 . 18994 1 109 . 1 1 10 10 PRO HD3 H 1 3.423 0.020 . 2 . . . . 10 PRO HD3 . 18994 1 110 . 1 1 10 10 PRO C C 13 177.100 0.400 . 1 . . . . 10 PRO C . 18994 1 111 . 1 1 10 10 PRO CA C 13 62.442 0.400 . 1 . . . . 10 PRO CA . 18994 1 112 . 1 1 10 10 PRO CB C 13 32.666 0.400 . 1 . . . . 10 PRO CB . 18994 1 113 . 1 1 10 10 PRO CG C 13 26.567 0.400 . 1 . . . . 10 PRO CG . 18994 1 114 . 1 1 10 10 PRO CD C 13 49.388 0.400 . 1 . . . . 10 PRO CD . 18994 1 115 . 1 1 11 11 GLN H H 1 8.596 0.020 . 1 . . . . 11 GLN H . 18994 1 116 . 1 1 11 11 GLN HA H 1 4.443 0.020 . 1 . . . . 11 GLN HA . 18994 1 117 . 1 1 11 11 GLN HB2 H 1 2.043 0.020 . 2 . . . . 11 GLN HB2 . 18994 1 118 . 1 1 11 11 GLN HB3 H 1 2.043 0.020 . 2 . . . . 11 GLN HB3 . 18994 1 119 . 1 1 11 11 GLN HG2 H 1 2.412 0.020 . 2 . . . . 11 GLN HG2 . 18994 1 120 . 1 1 11 11 GLN HG3 H 1 2.412 0.020 . 2 . . . . 11 GLN HG3 . 18994 1 121 . 1 1 11 11 GLN HE21 H 1 7.632 0.020 . 2 . . . . 11 GLN HE21 . 18994 1 122 . 1 1 11 11 GLN HE22 H 1 6.901 0.020 . 2 . . . . 11 GLN HE22 . 18994 1 123 . 1 1 11 11 GLN C C 13 176.122 0.400 . 1 . . . . 11 GLN C . 18994 1 124 . 1 1 11 11 GLN CA C 13 56.171 0.400 . 1 . . . . 11 GLN CA . 18994 1 125 . 1 1 11 11 GLN CB C 13 29.332 0.400 . 1 . . . . 11 GLN CB . 18994 1 126 . 1 1 11 11 GLN CG C 13 33.947 0.400 . 1 . . . . 11 GLN CG . 18994 1 127 . 1 1 11 11 GLN N N 15 119.971 0.400 . 1 . . . . 11 GLN N . 18994 1 128 . 1 1 11 11 GLN NE2 N 15 112.715 0.400 . 1 . . . . 11 GLN NE2 . 18994 1 129 . 1 1 12 12 ASN H H 1 8.594 0.020 . 1 . . . . 12 ASN H . 18994 1 130 . 1 1 12 12 ASN HA H 1 4.769 0.020 . 1 . . . . 12 ASN HA . 18994 1 131 . 1 1 12 12 ASN HB2 H 1 2.945 0.020 . 2 . . . . 12 ASN HB2 . 18994 1 132 . 1 1 12 12 ASN HB3 H 1 2.821 0.020 . 2 . . . . 12 ASN HB3 . 18994 1 133 . 1 1 12 12 ASN HD21 H 1 7.728 0.020 . 2 . . . . 12 ASN HD21 . 18994 1 134 . 1 1 12 12 ASN HD22 H 1 6.976 0.020 . 2 . . . . 12 ASN HD22 . 18994 1 135 . 1 1 12 12 ASN C C 13 175.790 0.400 . 1 . . . . 12 ASN C . 18994 1 136 . 1 1 12 12 ASN CA C 13 54.026 0.400 . 1 . . . . 12 ASN CA . 18994 1 137 . 1 1 12 12 ASN CB C 13 38.930 0.400 . 1 . . . . 12 ASN CB . 18994 1 138 . 1 1 12 12 ASN N N 15 120.301 0.400 . 1 . . . . 12 ASN N . 18994 1 139 . 1 1 12 12 ASN ND2 N 15 112.838 0.400 . 1 . . . . 12 ASN ND2 . 18994 1 140 . 1 1 13 13 THR H H 1 8.418 0.020 . 1 . . . . 13 THR H . 18994 1 141 . 1 1 13 13 THR HA H 1 4.331 0.020 . 1 . . . . 13 THR HA . 18994 1 142 . 1 1 13 13 THR HB H 1 4.370 0.020 . 1 . . . . 13 THR HB . 18994 1 143 . 1 1 13 13 THR HG21 H 1 1.282 0.020 . 1 . . . . 13 THR HG2 . 18994 1 144 . 1 1 13 13 THR HG22 H 1 1.282 0.020 . 1 . . . . 13 THR HG2 . 18994 1 145 . 1 1 13 13 THR HG23 H 1 1.282 0.020 . 1 . . . . 13 THR HG2 . 18994 1 146 . 1 1 13 13 THR C C 13 175.861 0.400 . 1 . . . . 13 THR C . 18994 1 147 . 1 1 13 13 THR CA C 13 63.313 0.400 . 1 . . . . 13 THR CA . 18994 1 148 . 1 1 13 13 THR CB C 13 69.798 0.400 . 1 . . . . 13 THR CB . 18994 1 149 . 1 1 13 13 THR CG2 C 13 21.806 0.400 . 1 . . . . 13 THR CG2 . 18994 1 150 . 1 1 13 13 THR N N 15 114.249 0.400 . 1 . . . . 13 THR N . 18994 1 151 . 1 1 14 14 PHE H H 1 8.469 0.020 . 1 . . . . 14 PHE H . 18994 1 152 . 1 1 14 14 PHE HA H 1 4.364 0.020 . 1 . . . . 14 PHE HA . 18994 1 153 . 1 1 14 14 PHE HB2 H 1 3.315 0.020 . 2 . . . . 14 PHE HB2 . 18994 1 154 . 1 1 14 14 PHE HB3 H 1 3.035 0.020 . 2 . . . . 14 PHE HB3 . 18994 1 155 . 1 1 14 14 PHE HE1 H 1 7.220 0.020 . 1 . . . . 14 PHE HE1 . 18994 1 156 . 1 1 14 14 PHE HE2 H 1 7.220 0.020 . 1 . . . . 14 PHE HE2 . 18994 1 157 . 1 1 14 14 PHE C C 13 177.092 0.400 . 1 . . . . 14 PHE C . 18994 1 158 . 1 1 14 14 PHE CA C 13 61.229 0.400 . 1 . . . . 14 PHE CA . 18994 1 159 . 1 1 14 14 PHE CB C 13 39.122 0.400 . 1 . . . . 14 PHE CB . 18994 1 160 . 1 1 14 14 PHE N N 15 123.668 0.400 . 1 . . . . 14 PHE N . 18994 1 161 . 1 1 15 15 LEU H H 1 8.118 0.020 . 1 . . . . 15 LEU H . 18994 1 162 . 1 1 15 15 LEU HA H 1 3.686 0.020 . 1 . . . . 15 LEU HA . 18994 1 163 . 1 1 15 15 LEU HB2 H 1 1.719 0.020 . 2 . . . . 15 LEU HB2 . 18994 1 164 . 1 1 15 15 LEU HB3 H 1 1.719 0.020 . 2 . . . . 15 LEU HB3 . 18994 1 165 . 1 1 15 15 LEU HG H 1 1.593 0.020 . 1 . . . . 15 LEU HG . 18994 1 166 . 1 1 15 15 LEU HD11 H 1 0.883 0.020 . 2 . . . . 15 LEU HD1 . 18994 1 167 . 1 1 15 15 LEU HD12 H 1 0.883 0.020 . 2 . . . . 15 LEU HD1 . 18994 1 168 . 1 1 15 15 LEU HD13 H 1 0.883 0.020 . 2 . . . . 15 LEU HD1 . 18994 1 169 . 1 1 15 15 LEU HD21 H 1 0.883 0.020 . 2 . . . . 15 LEU HD2 . 18994 1 170 . 1 1 15 15 LEU HD22 H 1 0.883 0.020 . 2 . . . . 15 LEU HD2 . 18994 1 171 . 1 1 15 15 LEU HD23 H 1 0.883 0.020 . 2 . . . . 15 LEU HD2 . 18994 1 172 . 1 1 15 15 LEU C C 13 177.722 0.400 . 1 . . . . 15 LEU C . 18994 1 173 . 1 1 15 15 LEU CA C 13 58.200 0.400 . 1 . . . . 15 LEU CA . 18994 1 174 . 1 1 15 15 LEU CB C 13 41.648 0.400 . 1 . . . . 15 LEU CB . 18994 1 175 . 1 1 15 15 LEU CD1 C 13 25.135 0.400 . 1 . . . . 15 LEU CD1 . 18994 1 176 . 1 1 15 15 LEU N N 15 119.131 0.400 . 1 . . . . 15 LEU N . 18994 1 177 . 1 1 16 16 ASP H H 1 7.843 0.020 . 1 . . . . 16 ASP H . 18994 1 178 . 1 1 16 16 ASP HA H 1 4.266 0.020 . 1 . . . . 16 ASP HA . 18994 1 179 . 1 1 16 16 ASP HB2 H 1 2.749 0.020 . 2 . . . . 16 ASP HB2 . 18994 1 180 . 1 1 16 16 ASP HB3 H 1 2.749 0.020 . 2 . . . . 16 ASP HB3 . 18994 1 181 . 1 1 16 16 ASP C C 13 178.914 0.400 . 1 . . . . 16 ASP C . 18994 1 182 . 1 1 16 16 ASP CA C 13 57.441 0.400 . 1 . . . . 16 ASP CA . 18994 1 183 . 1 1 16 16 ASP CB C 13 40.778 0.400 . 1 . . . . 16 ASP CB . 18994 1 184 . 1 1 16 16 ASP N N 15 117.312 0.400 . 1 . . . . 16 ASP N . 18994 1 185 . 1 1 17 17 THR H H 1 7.912 0.020 . 1 . . . . 17 THR H . 18994 1 186 . 1 1 17 17 THR HA H 1 3.917 0.020 . 1 . . . . 17 THR HA . 18994 1 187 . 1 1 17 17 THR HB H 1 4.220 0.020 . 1 . . . . 17 THR HB . 18994 1 188 . 1 1 17 17 THR HG21 H 1 1.158 0.020 . 1 . . . . 17 THR HG2 . 18994 1 189 . 1 1 17 17 THR HG22 H 1 1.158 0.020 . 1 . . . . 17 THR HG2 . 18994 1 190 . 1 1 17 17 THR HG23 H 1 1.158 0.020 . 1 . . . . 17 THR HG2 . 18994 1 191 . 1 1 17 17 THR C C 13 176.345 0.400 . 1 . . . . 17 THR C . 18994 1 192 . 1 1 17 17 THR CA C 13 65.850 0.400 . 1 . . . . 17 THR CA . 18994 1 193 . 1 1 17 17 THR CB C 13 68.896 0.400 . 1 . . . . 17 THR CB . 18994 1 194 . 1 1 17 17 THR CG2 C 13 21.446 0.400 . 1 . . . . 17 THR CG2 . 18994 1 195 . 1 1 17 17 THR N N 15 115.645 0.400 . 1 . . . . 17 THR N . 18994 1 196 . 1 1 18 18 ILE H H 1 7.723 0.020 . 1 . . . . 18 ILE H . 18994 1 197 . 1 1 18 18 ILE HA H 1 3.591 0.020 . 1 . . . . 18 ILE HA . 18994 1 198 . 1 1 18 18 ILE HB H 1 1.735 0.020 . 1 . . . . 18 ILE HB . 18994 1 199 . 1 1 18 18 ILE HG12 H 1 0.907 0.020 . 2 . . . . 18 ILE HG12 . 18994 1 200 . 1 1 18 18 ILE HG13 H 1 0.907 0.020 . 2 . . . . 18 ILE HG13 . 18994 1 201 . 1 1 18 18 ILE HG21 H 1 0.745 0.020 . 1 . . . . 18 ILE HG2 . 18994 1 202 . 1 1 18 18 ILE HG22 H 1 0.745 0.020 . 1 . . . . 18 ILE HG2 . 18994 1 203 . 1 1 18 18 ILE HG23 H 1 0.745 0.020 . 1 . . . . 18 ILE HG2 . 18994 1 204 . 1 1 18 18 ILE HD11 H 1 0.425 0.020 . 1 . . . . 18 ILE HD1 . 18994 1 205 . 1 1 18 18 ILE HD12 H 1 0.425 0.020 . 1 . . . . 18 ILE HD1 . 18994 1 206 . 1 1 18 18 ILE HD13 H 1 0.425 0.020 . 1 . . . . 18 ILE HD1 . 18994 1 207 . 1 1 18 18 ILE C C 13 177.185 0.400 . 1 . . . . 18 ILE C . 18994 1 208 . 1 1 18 18 ILE CA C 13 62.024 0.400 . 1 . . . . 18 ILE CA . 18994 1 209 . 1 1 18 18 ILE CB C 13 35.666 0.400 . 1 . . . . 18 ILE CB . 18994 1 210 . 1 1 18 18 ILE CG1 C 13 26.868 0.400 . 1 . . . . 18 ILE CG1 . 18994 1 211 . 1 1 18 18 ILE CG2 C 13 18.495 0.400 . 1 . . . . 18 ILE CG2 . 18994 1 212 . 1 1 18 18 ILE CD1 C 13 9.962 0.400 . 1 . . . . 18 ILE CD1 . 18994 1 213 . 1 1 18 18 ILE N N 15 122.657 0.400 . 1 . . . . 18 ILE N . 18994 1 214 . 1 1 19 19 ALA H H 1 8.424 0.020 . 1 . . . . 19 ALA H . 18994 1 215 . 1 1 19 19 ALA HA H 1 3.814 0.020 . 1 . . . . 19 ALA HA . 18994 1 216 . 1 1 19 19 ALA HB1 H 1 0.938 0.020 . 1 . . . . 19 ALA HB . 18994 1 217 . 1 1 19 19 ALA HB2 H 1 0.938 0.020 . 1 . . . . 19 ALA HB . 18994 1 218 . 1 1 19 19 ALA HB3 H 1 0.938 0.020 . 1 . . . . 19 ALA HB . 18994 1 219 . 1 1 19 19 ALA C C 13 179.573 0.400 . 1 . . . . 19 ALA C . 18994 1 220 . 1 1 19 19 ALA CA C 13 55.953 0.400 . 1 . . . . 19 ALA CA . 18994 1 221 . 1 1 19 19 ALA CB C 13 17.255 0.400 . 1 . . . . 19 ALA CB . 18994 1 222 . 1 1 19 19 ALA N N 15 122.140 0.400 . 1 . . . . 19 ALA N . 18994 1 223 . 1 1 20 20 THR H H 1 7.759 0.020 . 1 . . . . 20 THR H . 18994 1 224 . 1 1 20 20 THR HA H 1 4.103 0.020 . 1 . . . . 20 THR HA . 18994 1 225 . 1 1 20 20 THR HB H 1 4.220 0.020 . 1 . . . . 20 THR HB . 18994 1 226 . 1 1 20 20 THR HG21 H 1 1.282 0.020 . 1 . . . . 20 THR HG2 . 18994 1 227 . 1 1 20 20 THR HG22 H 1 1.282 0.020 . 1 . . . . 20 THR HG2 . 18994 1 228 . 1 1 20 20 THR HG23 H 1 1.282 0.020 . 1 . . . . 20 THR HG2 . 18994 1 229 . 1 1 20 20 THR C C 13 176.386 0.400 . 1 . . . . 20 THR C . 18994 1 230 . 1 1 20 20 THR CA C 13 65.328 0.400 . 1 . . . . 20 THR CA . 18994 1 231 . 1 1 20 20 THR CB C 13 69.152 0.400 . 1 . . . . 20 THR CB . 18994 1 232 . 1 1 20 20 THR CG2 C 13 21.664 0.400 . 1 . . . . 20 THR CG2 . 18994 1 233 . 1 1 20 20 THR N N 15 110.026 0.400 . 1 . . . . 20 THR N . 18994 1 234 . 1 1 21 21 ARG H H 1 7.592 0.020 . 1 . . . . 21 ARG H . 18994 1 235 . 1 1 21 21 ARG HA H 1 3.930 0.020 . 1 . . . . 21 ARG HA . 18994 1 236 . 1 1 21 21 ARG HB2 H 1 1.605 0.020 . 2 . . . . 21 ARG HB2 . 18994 1 237 . 1 1 21 21 ARG HB3 H 1 1.605 0.020 . 2 . . . . 21 ARG HB3 . 18994 1 238 . 1 1 21 21 ARG HG2 H 1 1.382 0.020 . 2 . . . . 21 ARG HG2 . 18994 1 239 . 1 1 21 21 ARG HG3 H 1 0.993 0.020 . 2 . . . . 21 ARG HG3 . 18994 1 240 . 1 1 21 21 ARG HD2 H 1 2.818 0.020 . 2 . . . . 21 ARG HD2 . 18994 1 241 . 1 1 21 21 ARG HD3 H 1 2.818 0.020 . 2 . . . . 21 ARG HD3 . 18994 1 242 . 1 1 21 21 ARG C C 13 178.119 0.400 . 1 . . . . 21 ARG C . 18994 1 243 . 1 1 21 21 ARG CA C 13 58.481 0.400 . 1 . . . . 21 ARG CA . 18994 1 244 . 1 1 21 21 ARG CB C 13 29.919 0.400 . 1 . . . . 21 ARG CB . 18994 1 245 . 1 1 21 21 ARG CG C 13 26.439 0.400 . 1 . . . . 21 ARG CG . 18994 1 246 . 1 1 21 21 ARG CD C 13 43.652 0.400 . 1 . . . . 21 ARG CD . 18994 1 247 . 1 1 21 21 ARG N N 15 121.555 0.400 . 1 . . . . 21 ARG N . 18994 1 248 . 1 1 22 22 PHE H H 1 7.594 0.020 . 1 . . . . 22 PHE H . 18994 1 249 . 1 1 22 22 PHE HA H 1 4.585 0.020 . 1 . . . . 22 PHE HA . 18994 1 250 . 1 1 22 22 PHE HB2 H 1 2.654 0.020 . 2 . . . . 22 PHE HB2 . 18994 1 251 . 1 1 22 22 PHE HB3 H 1 2.300 0.020 . 2 . . . . 22 PHE HB3 . 18994 1 252 . 1 1 22 22 PHE HD1 H 1 7.317 0.020 . 1 . . . . 22 PHE HD1 . 18994 1 253 . 1 1 22 22 PHE HD2 H 1 7.317 0.020 . 1 . . . . 22 PHE HD2 . 18994 1 254 . 1 1 22 22 PHE HE1 H 1 7.009 0.020 . 1 . . . . 22 PHE HE1 . 18994 1 255 . 1 1 22 22 PHE HE2 H 1 7.009 0.020 . 1 . . . . 22 PHE HE2 . 18994 1 256 . 1 1 22 22 PHE C C 13 176.224 0.400 . 1 . . . . 22 PHE C . 18994 1 257 . 1 1 22 22 PHE CA C 13 58.809 0.400 . 1 . . . . 22 PHE CA . 18994 1 258 . 1 1 22 22 PHE CB C 13 39.417 0.400 . 1 . . . . 22 PHE CB . 18994 1 259 . 1 1 22 22 PHE CD1 C 13 131.384 0.400 . 1 . . . . 22 PHE CD1 . 18994 1 260 . 1 1 22 22 PHE N N 15 115.969 0.400 . 1 . . . . 22 PHE N . 18994 1 261 . 1 1 23 23 ASP H H 1 8.332 0.020 . 1 . . . . 23 ASP H . 18994 1 262 . 1 1 23 23 ASP HA H 1 4.895 0.020 . 1 . . . . 23 ASP HA . 18994 1 263 . 1 1 23 23 ASP HB2 H 1 2.984 0.020 . 2 . . . . 23 ASP HB2 . 18994 1 264 . 1 1 23 23 ASP HB3 H 1 2.870 0.020 . 2 . . . . 23 ASP HB3 . 18994 1 265 . 1 1 23 23 ASP C C 13 177.620 0.400 . 1 . . . . 23 ASP C . 18994 1 266 . 1 1 23 23 ASP CA C 13 56.367 0.400 . 1 . . . . 23 ASP CA . 18994 1 267 . 1 1 23 23 ASP CB C 13 41.203 0.400 . 1 . . . . 23 ASP CB . 18994 1 268 . 1 1 23 23 ASP N N 15 121.869 0.400 . 1 . . . . 23 ASP N . 18994 1 269 . 1 1 24 24 GLY H H 1 8.359 0.020 . 1 . . . . 24 GLY H . 18994 1 270 . 1 1 24 24 GLY HA2 H 1 4.071 0.020 . 2 . . . . 24 GLY HA2 . 18994 1 271 . 1 1 24 24 GLY HA3 H 1 4.071 0.020 . 2 . . . . 24 GLY HA3 . 18994 1 272 . 1 1 24 24 GLY C C 13 174.909 0.400 . 1 . . . . 24 GLY C . 18994 1 273 . 1 1 24 24 GLY CA C 13 46.009 0.400 . 1 . . . . 24 GLY CA . 18994 1 274 . 1 1 24 24 GLY N N 15 107.224 0.400 . 1 . . . . 24 GLY N . 18994 1 275 . 1 1 25 25 THR H H 1 7.925 0.020 . 1 . . . . 25 THR H . 18994 1 276 . 1 1 25 25 THR HA H 1 4.325 0.020 . 1 . . . . 25 THR HA . 18994 1 277 . 1 1 25 25 THR HB H 1 4.112 0.020 . 1 . . . . 25 THR HB . 18994 1 278 . 1 1 25 25 THR HG21 H 1 1.035 0.020 . 1 . . . . 25 THR HG2 . 18994 1 279 . 1 1 25 25 THR HG22 H 1 1.035 0.020 . 1 . . . . 25 THR HG2 . 18994 1 280 . 1 1 25 25 THR HG23 H 1 1.035 0.020 . 1 . . . . 25 THR HG2 . 18994 1 281 . 1 1 25 25 THR C C 13 174.640 0.400 . 1 . . . . 25 THR C . 18994 1 282 . 1 1 25 25 THR CA C 13 63.212 0.400 . 1 . . . . 25 THR CA . 18994 1 283 . 1 1 25 25 THR CB C 13 70.074 0.400 . 1 . . . . 25 THR CB . 18994 1 284 . 1 1 25 25 THR CG2 C 13 21.503 0.400 . 1 . . . . 25 THR CG2 . 18994 1 285 . 1 1 25 25 THR N N 15 111.825 0.400 . 1 . . . . 25 THR N . 18994 1 286 . 1 1 26 26 HIS H H 1 8.503 0.020 . 1 . . . . 26 HIS H . 18994 1 287 . 1 1 26 26 HIS HA H 1 4.837 0.020 . 1 . . . . 26 HIS HA . 18994 1 288 . 1 1 26 26 HIS HB2 H 1 3.042 0.020 . 2 . . . . 26 HIS HB2 . 18994 1 289 . 1 1 26 26 HIS HB3 H 1 3.042 0.020 . 2 . . . . 26 HIS HB3 . 18994 1 290 . 1 1 26 26 HIS C C 13 174.530 0.400 . 1 . . . . 26 HIS C . 18994 1 291 . 1 1 26 26 HIS CA C 13 56.047 0.400 . 1 . . . . 26 HIS CA . 18994 1 292 . 1 1 26 26 HIS CB C 13 31.367 0.400 . 1 . . . . 26 HIS CB . 18994 1 293 . 1 1 26 26 HIS N N 15 120.858 0.400 . 1 . . . . 26 HIS N . 18994 1 294 . 1 1 27 27 SER H H 1 8.500 0.020 . 1 . . . . 27 SER H . 18994 1 295 . 1 1 27 27 SER HA H 1 4.742 0.020 . 1 . . . . 27 SER HA . 18994 1 296 . 1 1 27 27 SER HB2 H 1 4.043 0.020 . 2 . . . . 27 SER HB2 . 18994 1 297 . 1 1 27 27 SER HB3 H 1 3.998 0.020 . 2 . . . . 27 SER HB3 . 18994 1 298 . 1 1 27 27 SER CA C 13 60.137 0.400 . 1 . . . . 27 SER CA . 18994 1 299 . 1 1 27 27 SER CB C 13 63.982 0.400 . 1 . . . . 27 SER CB . 18994 1 300 . 1 1 27 27 SER N N 15 115.841 0.400 . 1 . . . . 27 SER N . 18994 1 301 . 1 1 28 28 ASN HA H 1 4.948 0.020 . 1 . . . . 28 ASN HA . 18994 1 302 . 1 1 28 28 ASN HB2 H 1 4.452 0.020 . 2 . . . . 28 ASN HB2 . 18994 1 303 . 1 1 28 28 ASN HB3 H 1 2.241 0.020 . 2 . . . . 28 ASN HB3 . 18994 1 304 . 1 1 28 28 ASN C C 13 171.626 0.400 . 1 . . . . 28 ASN C . 18994 1 305 . 1 1 28 28 ASN CA C 13 51.378 0.400 . 1 . . . . 28 ASN CA . 18994 1 306 . 1 1 28 28 ASN CB C 13 38.664 0.400 . 1 . . . . 28 ASN CB . 18994 1 307 . 1 1 29 29 PHE H H 1 8.548 0.020 . 1 . . . . 29 PHE H . 18994 1 308 . 1 1 29 29 PHE HA H 1 6.090 0.020 . 1 . . . . 29 PHE HA . 18994 1 309 . 1 1 29 29 PHE HB2 H 1 3.025 0.020 . 2 . . . . 29 PHE HB2 . 18994 1 310 . 1 1 29 29 PHE HB3 H 1 3.025 0.020 . 2 . . . . 29 PHE HB3 . 18994 1 311 . 1 1 29 29 PHE HD1 H 1 6.864 0.020 . 1 . . . . 29 PHE HD1 . 18994 1 312 . 1 1 29 29 PHE HD2 H 1 6.864 0.020 . 1 . . . . 29 PHE HD2 . 18994 1 313 . 1 1 29 29 PHE HE1 H 1 7.073 0.020 . 1 . . . . 29 PHE HE1 . 18994 1 314 . 1 1 29 29 PHE HE2 H 1 7.073 0.020 . 1 . . . . 29 PHE HE2 . 18994 1 315 . 1 1 29 29 PHE C C 13 172.713 0.400 . 1 . . . . 29 PHE C . 18994 1 316 . 1 1 29 29 PHE CA C 13 56.620 0.400 . 1 . . . . 29 PHE CA . 18994 1 317 . 1 1 29 29 PHE CB C 13 41.849 0.400 . 1 . . . . 29 PHE CB . 18994 1 318 . 1 1 29 29 PHE N N 15 119.457 0.400 . 1 . . . . 29 PHE N . 18994 1 319 . 1 1 30 30 VAL H H 1 8.993 0.020 . 1 . . . . 30 VAL H . 18994 1 320 . 1 1 30 30 VAL HA H 1 5.025 0.020 . 1 . . . . 30 VAL HA . 18994 1 321 . 1 1 30 30 VAL HB H 1 2.199 0.020 . 1 . . . . 30 VAL HB . 18994 1 322 . 1 1 30 30 VAL HG11 H 1 -0.005 0.020 . 2 . . . . 30 VAL HG1 . 18994 1 323 . 1 1 30 30 VAL HG12 H 1 -0.005 0.020 . 2 . . . . 30 VAL HG1 . 18994 1 324 . 1 1 30 30 VAL HG13 H 1 -0.005 0.020 . 2 . . . . 30 VAL HG1 . 18994 1 325 . 1 1 30 30 VAL HG21 H 1 0.669 0.020 . 2 . . . . 30 VAL HG2 . 18994 1 326 . 1 1 30 30 VAL HG22 H 1 0.669 0.020 . 2 . . . . 30 VAL HG2 . 18994 1 327 . 1 1 30 30 VAL HG23 H 1 0.669 0.020 . 2 . . . . 30 VAL HG2 . 18994 1 328 . 1 1 30 30 VAL C C 13 174.895 0.400 . 1 . . . . 30 VAL C . 18994 1 329 . 1 1 30 30 VAL CA C 13 58.336 0.400 . 1 . . . . 30 VAL CA . 18994 1 330 . 1 1 30 30 VAL CB C 13 34.556 0.400 . 1 . . . . 30 VAL CB . 18994 1 331 . 1 1 30 30 VAL CG1 C 13 21.199 0.400 . 1 . . . . 30 VAL CG1 . 18994 1 332 . 1 1 30 30 VAL CG2 C 13 18.739 0.400 . 1 . . . . 30 VAL CG2 . 18994 1 333 . 1 1 30 30 VAL N N 15 109.782 0.400 . 1 . . . . 30 VAL N . 18994 1 334 . 1 1 31 31 LEU H H 1 8.631 0.020 . 1 . . . . 31 LEU H . 18994 1 335 . 1 1 31 31 LEU HA H 1 6.007 0.020 . 1 . . . . 31 LEU HA . 18994 1 336 . 1 1 31 31 LEU HB2 H 1 1.945 0.020 . 2 . . . . 31 LEU HB2 . 18994 1 337 . 1 1 31 31 LEU HB3 H 1 1.265 0.020 . 2 . . . . 31 LEU HB3 . 18994 1 338 . 1 1 31 31 LEU HD11 H 1 0.879 0.020 . 2 . . . . 31 LEU HD1 . 18994 1 339 . 1 1 31 31 LEU HD12 H 1 0.879 0.020 . 2 . . . . 31 LEU HD1 . 18994 1 340 . 1 1 31 31 LEU HD13 H 1 0.879 0.020 . 2 . . . . 31 LEU HD1 . 18994 1 341 . 1 1 31 31 LEU HD21 H 1 0.879 0.020 . 2 . . . . 31 LEU HD2 . 18994 1 342 . 1 1 31 31 LEU HD22 H 1 0.879 0.020 . 2 . . . . 31 LEU HD2 . 18994 1 343 . 1 1 31 31 LEU HD23 H 1 0.879 0.020 . 2 . . . . 31 LEU HD2 . 18994 1 344 . 1 1 31 31 LEU C C 13 176.808 0.400 . 1 . . . . 31 LEU C . 18994 1 345 . 1 1 31 31 LEU CA C 13 52.620 0.400 . 1 . . . . 31 LEU CA . 18994 1 346 . 1 1 31 31 LEU CB C 13 44.406 0.400 . 1 . . . . 31 LEU CB . 18994 1 347 . 1 1 31 31 LEU CG C 13 26.571 0.400 . 1 . . . . 31 LEU CG . 18994 1 348 . 1 1 31 31 LEU CD1 C 13 24.788 0.400 . 1 . . . . 31 LEU CD1 . 18994 1 349 . 1 1 31 31 LEU N N 15 118.068 0.400 . 1 . . . . 31 LEU N . 18994 1 350 . 1 1 32 32 GLY H H 1 9.715 0.020 . 1 . . . . 32 GLY H . 18994 1 351 . 1 1 32 32 GLY HA2 H 1 5.284 0.020 . 2 . . . . 32 GLY HA2 . 18994 1 352 . 1 1 32 32 GLY HA3 H 1 3.835 0.020 . 2 . . . . 32 GLY HA3 . 18994 1 353 . 1 1 32 32 GLY C C 13 173.057 0.400 . 1 . . . . 32 GLY C . 18994 1 354 . 1 1 32 32 GLY CA C 13 42.894 0.400 . 1 . . . . 32 GLY CA . 18994 1 355 . 1 1 32 32 GLY N N 15 108.816 0.400 . 1 . . . . 32 GLY N . 18994 1 356 . 1 1 33 33 ASN H H 1 9.068 0.020 . 1 . . . . 33 ASN H . 18994 1 357 . 1 1 33 33 ASN HA H 1 4.743 0.020 . 1 . . . . 33 ASN HA . 18994 1 358 . 1 1 33 33 ASN HB2 H 1 3.102 0.020 . 2 . . . . 33 ASN HB2 . 18994 1 359 . 1 1 33 33 ASN HB3 H 1 2.814 0.020 . 2 . . . . 33 ASN HB3 . 18994 1 360 . 1 1 33 33 ASN C C 13 175.430 0.400 . 1 . . . . 33 ASN C . 18994 1 361 . 1 1 33 33 ASN CA C 13 53.486 0.400 . 1 . . . . 33 ASN CA . 18994 1 362 . 1 1 33 33 ASN CB C 13 38.186 0.400 . 1 . . . . 33 ASN CB . 18994 1 363 . 1 1 33 33 ASN N N 15 120.566 0.400 . 1 . . . . 33 ASN N . 18994 1 364 . 1 1 34 34 ALA H H 1 7.627 0.020 . 1 . . . . 34 ALA H . 18994 1 365 . 1 1 34 34 ALA HA H 1 4.366 0.020 . 1 . . . . 34 ALA HA . 18994 1 366 . 1 1 34 34 ALA HB1 H 1 0.475 0.020 . 1 . . . . 34 ALA HB . 18994 1 367 . 1 1 34 34 ALA HB2 H 1 0.475 0.020 . 1 . . . . 34 ALA HB . 18994 1 368 . 1 1 34 34 ALA HB3 H 1 0.475 0.020 . 1 . . . . 34 ALA HB . 18994 1 369 . 1 1 34 34 ALA C C 13 176.718 0.400 . 1 . . . . 34 ALA C . 18994 1 370 . 1 1 34 34 ALA CA C 13 53.278 0.400 . 1 . . . . 34 ALA CA . 18994 1 371 . 1 1 34 34 ALA CB C 13 19.965 0.400 . 1 . . . . 34 ALA CB . 18994 1 372 . 1 1 34 34 ALA N N 15 127.307 0.400 . 1 . . . . 34 ALA N . 18994 1 373 . 1 1 35 35 GLN H H 1 8.323 0.020 . 1 . . . . 35 GLN H . 18994 1 374 . 1 1 35 35 GLN HA H 1 4.366 0.020 . 1 . . . . 35 GLN HA . 18994 1 375 . 1 1 35 35 GLN HB3 H 1 2.204 0.020 . 2 . . . . 35 GLN HB3 . 18994 1 376 . 1 1 35 35 GLN HG2 H 1 2.549 0.020 . 2 . . . . 35 GLN HG2 . 18994 1 377 . 1 1 35 35 GLN HG3 H 1 2.331 0.020 . 2 . . . . 35 GLN HG3 . 18994 1 378 . 1 1 35 35 GLN HE21 H 1 7.527 0.020 . 2 . . . . 35 GLN HE21 . 18994 1 379 . 1 1 35 35 GLN HE22 H 1 6.991 0.020 . 2 . . . . 35 GLN HE22 . 18994 1 380 . 1 1 35 35 GLN C C 13 175.722 0.400 . 1 . . . . 35 GLN C . 18994 1 381 . 1 1 35 35 GLN CA C 13 56.455 0.400 . 1 . . . . 35 GLN CA . 18994 1 382 . 1 1 35 35 GLN CB C 13 29.116 0.400 . 1 . . . . 35 GLN CB . 18994 1 383 . 1 1 35 35 GLN CG C 13 35.161 0.400 . 1 . . . . 35 GLN CG . 18994 1 384 . 1 1 35 35 GLN N N 15 113.100 0.400 . 1 . . . . 35 GLN N . 18994 1 385 . 1 1 35 35 GLN NE2 N 15 112.456 0.400 . 1 . . . . 35 GLN NE2 . 18994 1 386 . 1 1 36 36 VAL H H 1 6.800 0.020 . 1 . . . . 36 VAL H . 18994 1 387 . 1 1 36 36 VAL HA H 1 4.202 0.020 . 1 . . . . 36 VAL HA . 18994 1 388 . 1 1 36 36 VAL HB H 1 1.972 0.020 . 1 . . . . 36 VAL HB . 18994 1 389 . 1 1 36 36 VAL HG11 H 1 0.901 0.020 . 2 . . . . 36 VAL HG1 . 18994 1 390 . 1 1 36 36 VAL HG12 H 1 0.901 0.020 . 2 . . . . 36 VAL HG1 . 18994 1 391 . 1 1 36 36 VAL HG13 H 1 0.901 0.020 . 2 . . . . 36 VAL HG1 . 18994 1 392 . 1 1 36 36 VAL HG21 H 1 0.859 0.020 . 2 . . . . 36 VAL HG2 . 18994 1 393 . 1 1 36 36 VAL HG22 H 1 0.859 0.020 . 2 . . . . 36 VAL HG2 . 18994 1 394 . 1 1 36 36 VAL HG23 H 1 0.859 0.020 . 2 . . . . 36 VAL HG2 . 18994 1 395 . 1 1 36 36 VAL C C 13 174.165 0.400 . 1 . . . . 36 VAL C . 18994 1 396 . 1 1 36 36 VAL CA C 13 61.278 0.400 . 1 . . . . 36 VAL CA . 18994 1 397 . 1 1 36 36 VAL CB C 13 31.758 0.400 . 1 . . . . 36 VAL CB . 18994 1 398 . 1 1 36 36 VAL CG1 C 13 21.653 0.400 . 1 . . . . 36 VAL CG1 . 18994 1 399 . 1 1 36 36 VAL CG2 C 13 19.985 0.400 . 1 . . . . 36 VAL CG2 . 18994 1 400 . 1 1 36 36 VAL N N 15 119.645 0.400 . 1 . . . . 36 VAL N . 18994 1 401 . 1 1 37 37 GLN H H 1 8.241 0.020 . 1 . . . . 37 GLN H . 18994 1 402 . 1 1 37 37 GLN HA H 1 3.876 0.020 . 1 . . . . 37 GLN HA . 18994 1 403 . 1 1 37 37 GLN HB2 H 1 2.094 0.020 . 2 . . . . 37 GLN HB2 . 18994 1 404 . 1 1 37 37 GLN HB3 H 1 1.963 0.020 . 2 . . . . 37 GLN HB3 . 18994 1 405 . 1 1 37 37 GLN HG2 H 1 2.507 0.020 . 2 . . . . 37 GLN HG2 . 18994 1 406 . 1 1 37 37 GLN HG3 H 1 2.507 0.020 . 2 . . . . 37 GLN HG3 . 18994 1 407 . 1 1 37 37 GLN HE21 H 1 7.526 0.020 . 2 . . . . 37 GLN HE21 . 18994 1 408 . 1 1 37 37 GLN HE22 H 1 7.035 0.020 . 2 . . . . 37 GLN HE22 . 18994 1 409 . 1 1 37 37 GLN C C 13 177.045 0.400 . 1 . . . . 37 GLN C . 18994 1 410 . 1 1 37 37 GLN CA C 13 57.831 0.400 . 1 . . . . 37 GLN CA . 18994 1 411 . 1 1 37 37 GLN CB C 13 28.393 0.400 . 1 . . . . 37 GLN CB . 18994 1 412 . 1 1 37 37 GLN CG C 13 32.917 0.400 . 1 . . . . 37 GLN CG . 18994 1 413 . 1 1 37 37 GLN N N 15 123.989 0.400 . 1 . . . . 37 GLN N . 18994 1 414 . 1 1 37 37 GLN NE2 N 15 112.369 0.400 . 1 . . . . 37 GLN NE2 . 18994 1 415 . 1 1 38 38 SER H H 1 6.910 0.020 . 1 . . . . 38 SER H . 18994 1 416 . 1 1 38 38 SER HA H 1 3.903 0.020 . 1 . . . . 38 SER HA . 18994 1 417 . 1 1 38 38 SER HB2 H 1 3.703 0.020 . 2 . . . . 38 SER HB2 . 18994 1 418 . 1 1 38 38 SER HB3 H 1 3.703 0.020 . 2 . . . . 38 SER HB3 . 18994 1 419 . 1 1 38 38 SER C C 13 174.013 0.400 . 1 . . . . 38 SER C . 18994 1 420 . 1 1 38 38 SER CA C 13 62.386 0.400 . 1 . . . . 38 SER CA . 18994 1 421 . 1 1 38 38 SER CB C 13 62.885 0.400 . 1 . . . . 38 SER CB . 18994 1 422 . 1 1 38 38 SER N N 15 113.894 0.400 . 1 . . . . 38 SER N . 18994 1 423 . 1 1 39 39 LEU H H 1 7.907 0.020 . 1 . . . . 39 LEU H . 18994 1 424 . 1 1 39 39 LEU HA H 1 4.037 0.020 . 1 . . . . 39 LEU HA . 18994 1 425 . 1 1 39 39 LEU HB2 H 1 1.460 0.020 . 2 . . . . 39 LEU HB2 . 18994 1 426 . 1 1 39 39 LEU HB3 H 1 1.460 0.020 . 2 . . . . 39 LEU HB3 . 18994 1 427 . 1 1 39 39 LEU HG H 1 1.359 0.020 . 1 . . . . 39 LEU HG . 18994 1 428 . 1 1 39 39 LEU HD11 H 1 0.921 0.020 . 2 . . . . 39 LEU HD1 . 18994 1 429 . 1 1 39 39 LEU HD12 H 1 0.921 0.020 . 2 . . . . 39 LEU HD1 . 18994 1 430 . 1 1 39 39 LEU HD13 H 1 0.921 0.020 . 2 . . . . 39 LEU HD1 . 18994 1 431 . 1 1 39 39 LEU C C 13 175.755 0.400 . 1 . . . . 39 LEU C . 18994 1 432 . 1 1 39 39 LEU CA C 13 57.131 0.400 . 1 . . . . 39 LEU CA . 18994 1 433 . 1 1 39 39 LEU CB C 13 43.665 0.400 . 1 . . . . 39 LEU CB . 18994 1 434 . 1 1 39 39 LEU CG C 13 27.588 0.400 . 1 . . . . 39 LEU CG . 18994 1 435 . 1 1 39 39 LEU CD1 C 13 23.805 0.400 . 1 . . . . 39 LEU CD1 . 18994 1 436 . 1 1 39 39 LEU N N 15 123.152 0.400 . 1 . . . . 39 LEU N . 18994 1 437 . 1 1 40 40 TYR H H 1 7.385 0.020 . 1 . . . . 40 TYR H . 18994 1 438 . 1 1 40 40 TYR HA H 1 5.114 0.020 . 1 . . . . 40 TYR HA . 18994 1 439 . 1 1 40 40 TYR HB2 H 1 3.353 0.020 . 2 . . . . 40 TYR HB2 . 18994 1 440 . 1 1 40 40 TYR HB3 H 1 2.786 0.020 . 2 . . . . 40 TYR HB3 . 18994 1 441 . 1 1 40 40 TYR HD1 H 1 7.137 0.020 . 1 . . . . 40 TYR HD1 . 18994 1 442 . 1 1 40 40 TYR HD2 H 1 7.137 0.020 . 1 . . . . 40 TYR HD2 . 18994 1 443 . 1 1 40 40 TYR HE1 H 1 6.588 0.020 . 1 . . . . 40 TYR HE1 . 18994 1 444 . 1 1 40 40 TYR HE2 H 1 6.588 0.020 . 1 . . . . 40 TYR HE2 . 18994 1 445 . 1 1 40 40 TYR CA C 13 56.703 0.400 . 1 . . . . 40 TYR CA . 18994 1 446 . 1 1 40 40 TYR CB C 13 37.969 0.400 . 1 . . . . 40 TYR CB . 18994 1 447 . 1 1 40 40 TYR CE2 C 13 119.018 0.400 . 1 . . . . 40 TYR CE2 . 18994 1 448 . 1 1 40 40 TYR N N 15 110.057 0.400 . 1 . . . . 40 TYR N . 18994 1 449 . 1 1 41 41 PRO HA H 1 4.170 0.020 . 1 . . . . 41 PRO HA . 18994 1 450 . 1 1 41 41 PRO HB2 H 1 2.157 0.020 . 2 . . . . 41 PRO HB2 . 18994 1 451 . 1 1 41 41 PRO HB3 H 1 2.157 0.020 . 2 . . . . 41 PRO HB3 . 18994 1 452 . 1 1 41 41 PRO HG2 H 1 1.970 0.020 . 2 . . . . 41 PRO HG2 . 18994 1 453 . 1 1 41 41 PRO HG3 H 1 1.970 0.020 . 2 . . . . 41 PRO HG3 . 18994 1 454 . 1 1 41 41 PRO HD2 H 1 3.524 0.020 . 2 . . . . 41 PRO HD2 . 18994 1 455 . 1 1 41 41 PRO HD3 H 1 3.524 0.020 . 2 . . . . 41 PRO HD3 . 18994 1 456 . 1 1 41 41 PRO C C 13 177.770 0.400 . 1 . . . . 41 PRO C . 18994 1 457 . 1 1 41 41 PRO CA C 13 62.216 0.400 . 1 . . . . 41 PRO CA . 18994 1 458 . 1 1 41 41 PRO CB C 13 32.699 0.400 . 1 . . . . 41 PRO CB . 18994 1 459 . 1 1 42 42 ILE H H 1 9.298 0.020 . 1 . . . . 42 ILE H . 18994 1 460 . 1 1 42 42 ILE HA H 1 4.294 0.020 . 1 . . . . 42 ILE HA . 18994 1 461 . 1 1 42 42 ILE HB H 1 2.052 0.020 . 1 . . . . 42 ILE HB . 18994 1 462 . 1 1 42 42 ILE HG21 H 1 0.842 0.020 . 1 . . . . 42 ILE HG2 . 18994 1 463 . 1 1 42 42 ILE HG22 H 1 0.842 0.020 . 1 . . . . 42 ILE HG2 . 18994 1 464 . 1 1 42 42 ILE HG23 H 1 0.842 0.020 . 1 . . . . 42 ILE HG2 . 18994 1 465 . 1 1 42 42 ILE HD11 H 1 0.946 0.020 . 1 . . . . 42 ILE HD1 . 18994 1 466 . 1 1 42 42 ILE HD12 H 1 0.946 0.020 . 1 . . . . 42 ILE HD1 . 18994 1 467 . 1 1 42 42 ILE HD13 H 1 0.946 0.020 . 1 . . . . 42 ILE HD1 . 18994 1 468 . 1 1 42 42 ILE C C 13 177.296 0.400 . 1 . . . . 42 ILE C . 18994 1 469 . 1 1 42 42 ILE CA C 13 63.744 0.400 . 1 . . . . 42 ILE CA . 18994 1 470 . 1 1 42 42 ILE CB C 13 38.522 0.400 . 1 . . . . 42 ILE CB . 18994 1 471 . 1 1 42 42 ILE CG1 C 13 30.721 0.400 . 1 . . . . 42 ILE CG1 . 18994 1 472 . 1 1 42 42 ILE CG2 C 13 18.157 0.400 . 1 . . . . 42 ILE CG2 . 18994 1 473 . 1 1 42 42 ILE CD1 C 13 14.542 0.400 . 1 . . . . 42 ILE CD1 . 18994 1 474 . 1 1 42 42 ILE N N 15 121.204 0.400 . 1 . . . . 42 ILE N . 18994 1 475 . 1 1 43 43 VAL H H 1 9.050 0.020 . 1 . . . . 43 VAL H . 18994 1 476 . 1 1 43 43 VAL HA H 1 4.731 0.020 . 1 . . . . 43 VAL HA . 18994 1 477 . 1 1 43 43 VAL HB H 1 2.553 0.020 . 1 . . . . 43 VAL HB . 18994 1 478 . 1 1 43 43 VAL HG11 H 1 1.117 0.020 . 2 . . . . 43 VAL HG1 . 18994 1 479 . 1 1 43 43 VAL HG12 H 1 1.117 0.020 . 2 . . . . 43 VAL HG1 . 18994 1 480 . 1 1 43 43 VAL HG13 H 1 1.117 0.020 . 2 . . . . 43 VAL HG1 . 18994 1 481 . 1 1 43 43 VAL HG21 H 1 0.782 0.020 . 2 . . . . 43 VAL HG2 . 18994 1 482 . 1 1 43 43 VAL HG22 H 1 0.782 0.020 . 2 . . . . 43 VAL HG2 . 18994 1 483 . 1 1 43 43 VAL HG23 H 1 0.782 0.020 . 2 . . . . 43 VAL HG2 . 18994 1 484 . 1 1 43 43 VAL C C 13 175.296 0.400 . 1 . . . . 43 VAL C . 18994 1 485 . 1 1 43 43 VAL CA C 13 60.501 0.400 . 1 . . . . 43 VAL CA . 18994 1 486 . 1 1 43 43 VAL CB C 13 33.062 0.400 . 1 . . . . 43 VAL CB . 18994 1 487 . 1 1 43 43 VAL CG1 C 13 22.667 0.400 . 1 . . . . 43 VAL CG1 . 18994 1 488 . 1 1 43 43 VAL CG2 C 13 18.697 0.400 . 1 . . . . 43 VAL CG2 . 18994 1 489 . 1 1 43 43 VAL N N 15 118.849 0.400 . 1 . . . . 43 VAL N . 18994 1 490 . 1 1 44 44 TYR H H 1 7.709 0.020 . 1 . . . . 44 TYR H . 18994 1 491 . 1 1 44 44 TYR HA H 1 4.506 0.020 . 1 . . . . 44 TYR HA . 18994 1 492 . 1 1 44 44 TYR HB2 H 1 3.286 0.020 . 2 . . . . 44 TYR HB2 . 18994 1 493 . 1 1 44 44 TYR HB3 H 1 2.588 0.020 . 2 . . . . 44 TYR HB3 . 18994 1 494 . 1 1 44 44 TYR HD1 H 1 7.186 0.020 . 1 . . . . 44 TYR HD1 . 18994 1 495 . 1 1 44 44 TYR HD2 H 1 7.186 0.020 . 1 . . . . 44 TYR HD2 . 18994 1 496 . 1 1 44 44 TYR HE1 H 1 6.857 0.020 . 1 . . . . 44 TYR HE1 . 18994 1 497 . 1 1 44 44 TYR HE2 H 1 6.857 0.020 . 1 . . . . 44 TYR HE2 . 18994 1 498 . 1 1 44 44 TYR C C 13 173.380 0.400 . 1 . . . . 44 TYR C . 18994 1 499 . 1 1 44 44 TYR CA C 13 58.965 0.400 . 1 . . . . 44 TYR CA . 18994 1 500 . 1 1 44 44 TYR CB C 13 43.259 0.400 . 1 . . . . 44 TYR CB . 18994 1 501 . 1 1 44 44 TYR CE2 C 13 117.818 0.400 . 1 . . . . 44 TYR CE2 . 18994 1 502 . 1 1 44 44 TYR N N 15 121.345 0.400 . 1 . . . . 44 TYR N . 18994 1 503 . 1 1 45 45 CYS H H 1 8.376 0.020 . 1 . . . . 45 CYS H . 18994 1 504 . 1 1 45 45 CYS HA H 1 4.822 0.020 . 1 . . . . 45 CYS HA . 18994 1 505 . 1 1 45 45 CYS HB2 H 1 2.503 0.020 . 2 . . . . 45 CYS HB2 . 18994 1 506 . 1 1 45 45 CYS HB3 H 1 2.503 0.020 . 2 . . . . 45 CYS HB3 . 18994 1 507 . 1 1 45 45 CYS C C 13 171.943 0.400 . 1 . . . . 45 CYS C . 18994 1 508 . 1 1 45 45 CYS CA C 13 55.418 0.400 . 1 . . . . 45 CYS CA . 18994 1 509 . 1 1 45 45 CYS CB C 13 31.385 0.400 . 1 . . . . 45 CYS CB . 18994 1 510 . 1 1 45 45 CYS N N 15 125.013 0.400 . 1 . . . . 45 CYS N . 18994 1 511 . 1 1 46 46 SER H H 1 8.678 0.020 . 1 . . . . 46 SER H . 18994 1 512 . 1 1 46 46 SER HA H 1 4.326 0.020 . 1 . . . . 46 SER HA . 18994 1 513 . 1 1 46 46 SER HB2 H 1 4.574 0.020 . 2 . . . . 46 SER HB2 . 18994 1 514 . 1 1 46 46 SER HB3 H 1 2.843 0.020 . 2 . . . . 46 SER HB3 . 18994 1 515 . 1 1 46 46 SER C C 13 174.898 0.400 . 1 . . . . 46 SER C . 18994 1 516 . 1 1 46 46 SER CA C 13 57.347 0.400 . 1 . . . . 46 SER CA . 18994 1 517 . 1 1 46 46 SER CB C 13 65.273 0.400 . 1 . . . . 46 SER CB . 18994 1 518 . 1 1 46 46 SER N N 15 120.945 0.400 . 1 . . . . 46 SER N . 18994 1 519 . 1 1 47 47 ASP H H 1 9.429 0.020 . 1 . . . . 47 ASP H . 18994 1 520 . 1 1 47 47 ASP HA H 1 4.317 0.020 . 1 . . . . 47 ASP HA . 18994 1 521 . 1 1 47 47 ASP HB2 H 1 2.716 0.020 . 2 . . . . 47 ASP HB2 . 18994 1 522 . 1 1 47 47 ASP HB3 H 1 2.716 0.020 . 2 . . . . 47 ASP HB3 . 18994 1 523 . 1 1 47 47 ASP C C 13 180.245 0.400 . 1 . . . . 47 ASP C . 18994 1 524 . 1 1 47 47 ASP CA C 13 57.938 0.400 . 1 . . . . 47 ASP CA . 18994 1 525 . 1 1 47 47 ASP CB C 13 40.149 0.400 . 1 . . . . 47 ASP CB . 18994 1 526 . 1 1 47 47 ASP N N 15 123.949 0.400 . 1 . . . . 47 ASP N . 18994 1 527 . 1 1 48 48 GLY H H 1 9.197 0.020 . 1 . . . . 48 GLY H . 18994 1 528 . 1 1 48 48 GLY HA2 H 1 4.265 0.020 . 2 . . . . 48 GLY HA2 . 18994 1 529 . 1 1 48 48 GLY HA3 H 1 3.837 0.020 . 2 . . . . 48 GLY HA3 . 18994 1 530 . 1 1 48 48 GLY C C 13 176.416 0.400 . 1 . . . . 48 GLY C . 18994 1 531 . 1 1 48 48 GLY CA C 13 47.367 0.400 . 1 . . . . 48 GLY CA . 18994 1 532 . 1 1 48 48 GLY N N 15 107.536 0.400 . 1 . . . . 48 GLY N . 18994 1 533 . 1 1 49 49 PHE H H 1 7.981 0.020 . 1 . . . . 49 PHE H . 18994 1 534 . 1 1 49 49 PHE HA H 1 3.847 0.020 . 1 . . . . 49 PHE HA . 18994 1 535 . 1 1 49 49 PHE HB2 H 1 3.134 0.020 . 2 . . . . 49 PHE HB2 . 18994 1 536 . 1 1 49 49 PHE HB3 H 1 3.134 0.020 . 2 . . . . 49 PHE HB3 . 18994 1 537 . 1 1 49 49 PHE HD1 H 1 7.282 0.020 . 1 . . . . 49 PHE HD1 . 18994 1 538 . 1 1 49 49 PHE HD2 H 1 7.282 0.020 . 1 . . . . 49 PHE HD2 . 18994 1 539 . 1 1 49 49 PHE HE1 H 1 6.695 0.020 . 1 . . . . 49 PHE HE1 . 18994 1 540 . 1 1 49 49 PHE HE2 H 1 6.695 0.020 . 1 . . . . 49 PHE HE2 . 18994 1 541 . 1 1 49 49 PHE C C 13 178.264 0.400 . 1 . . . . 49 PHE C . 18994 1 542 . 1 1 49 49 PHE CA C 13 63.381 0.400 . 1 . . . . 49 PHE CA . 18994 1 543 . 1 1 49 49 PHE CB C 13 39.815 0.400 . 1 . . . . 49 PHE CB . 18994 1 544 . 1 1 49 49 PHE N N 15 122.132 0.400 . 1 . . . . 49 PHE N . 18994 1 545 . 1 1 50 50 CYS H H 1 7.608 0.020 . 1 . . . . 50 CYS H . 18994 1 546 . 1 1 50 50 CYS HA H 1 4.096 0.020 . 1 . . . . 50 CYS HA . 18994 1 547 . 1 1 50 50 CYS HB2 H 1 3.251 0.020 . 2 . . . . 50 CYS HB2 . 18994 1 548 . 1 1 50 50 CYS HB3 H 1 3.024 0.020 . 2 . . . . 50 CYS HB3 . 18994 1 549 . 1 1 50 50 CYS C C 13 176.894 0.400 . 1 . . . . 50 CYS C . 18994 1 550 . 1 1 50 50 CYS CA C 13 63.228 0.400 . 1 . . . . 50 CYS CA . 18994 1 551 . 1 1 50 50 CYS CB C 13 27.417 0.400 . 1 . . . . 50 CYS CB . 18994 1 552 . 1 1 50 50 CYS N N 15 120.958 0.400 . 1 . . . . 50 CYS N . 18994 1 553 . 1 1 51 51 GLU H H 1 8.004 0.020 . 1 . . . . 51 GLU H . 18994 1 554 . 1 1 51 51 GLU HA H 1 3.872 0.020 . 1 . . . . 51 GLU HA . 18994 1 555 . 1 1 51 51 GLU HB2 H 1 2.025 0.020 . 2 . . . . 51 GLU HB2 . 18994 1 556 . 1 1 51 51 GLU HB3 H 1 2.025 0.020 . 2 . . . . 51 GLU HB3 . 18994 1 557 . 1 1 51 51 GLU HG2 H 1 2.259 0.020 . 2 . . . . 51 GLU HG2 . 18994 1 558 . 1 1 51 51 GLU HG3 H 1 2.259 0.020 . 2 . . . . 51 GLU HG3 . 18994 1 559 . 1 1 51 51 GLU C C 13 178.520 0.400 . 1 . . . . 51 GLU C . 18994 1 560 . 1 1 51 51 GLU CA C 13 58.868 0.400 . 1 . . . . 51 GLU CA . 18994 1 561 . 1 1 51 51 GLU CB C 13 29.512 0.400 . 1 . . . . 51 GLU CB . 18994 1 562 . 1 1 51 51 GLU CG C 13 36.075 0.400 . 1 . . . . 51 GLU CG . 18994 1 563 . 1 1 51 51 GLU N N 15 120.406 0.400 . 1 . . . . 51 GLU N . 18994 1 564 . 1 1 52 52 LEU H H 1 8.457 0.020 . 1 . . . . 52 LEU H . 18994 1 565 . 1 1 52 52 LEU HA H 1 3.887 0.020 . 1 . . . . 52 LEU HA . 18994 1 566 . 1 1 52 52 LEU HB2 H 1 1.504 0.020 . 2 . . . . 52 LEU HB2 . 18994 1 567 . 1 1 52 52 LEU HB3 H 1 1.504 0.020 . 2 . . . . 52 LEU HB3 . 18994 1 568 . 1 1 52 52 LEU HG H 1 1.461 0.020 . 1 . . . . 52 LEU HG . 18994 1 569 . 1 1 52 52 LEU HD11 H 1 0.496 0.020 . 2 . . . . 52 LEU HD1 . 18994 1 570 . 1 1 52 52 LEU HD12 H 1 0.496 0.020 . 2 . . . . 52 LEU HD1 . 18994 1 571 . 1 1 52 52 LEU HD13 H 1 0.496 0.020 . 2 . . . . 52 LEU HD1 . 18994 1 572 . 1 1 52 52 LEU HD21 H 1 0.738 0.020 . 2 . . . . 52 LEU HD2 . 18994 1 573 . 1 1 52 52 LEU HD22 H 1 0.738 0.020 . 2 . . . . 52 LEU HD2 . 18994 1 574 . 1 1 52 52 LEU HD23 H 1 0.738 0.020 . 2 . . . . 52 LEU HD2 . 18994 1 575 . 1 1 52 52 LEU C C 13 177.296 0.400 . 1 . . . . 52 LEU C . 18994 1 576 . 1 1 52 52 LEU CA C 13 57.837 0.400 . 1 . . . . 52 LEU CA . 18994 1 577 . 1 1 52 52 LEU CB C 13 42.034 0.400 . 1 . . . . 52 LEU CB . 18994 1 578 . 1 1 52 52 LEU CG C 13 25.873 0.400 . 1 . . . . 52 LEU CG . 18994 1 579 . 1 1 52 52 LEU CD1 C 13 22.652 0.400 . 1 . . . . 52 LEU CD1 . 18994 1 580 . 1 1 52 52 LEU N N 15 119.468 0.400 . 1 . . . . 52 LEU N . 18994 1 581 . 1 1 53 53 THR H H 1 7.318 0.020 . 1 . . . . 53 THR H . 18994 1 582 . 1 1 53 53 THR HA H 1 4.314 0.020 . 1 . . . . 53 THR HA . 18994 1 583 . 1 1 53 53 THR HB H 1 3.763 0.020 . 1 . . . . 53 THR HB . 18994 1 584 . 1 1 53 53 THR HG21 H 1 0.505 0.020 . 1 . . . . 53 THR HG2 . 18994 1 585 . 1 1 53 53 THR HG22 H 1 0.505 0.020 . 1 . . . . 53 THR HG2 . 18994 1 586 . 1 1 53 53 THR HG23 H 1 0.505 0.020 . 1 . . . . 53 THR HG2 . 18994 1 587 . 1 1 53 53 THR C C 13 174.667 0.400 . 1 . . . . 53 THR C . 18994 1 588 . 1 1 53 53 THR CA C 13 63.831 0.400 . 1 . . . . 53 THR CA . 18994 1 589 . 1 1 53 53 THR CB C 13 70.398 0.400 . 1 . . . . 53 THR CB . 18994 1 590 . 1 1 53 53 THR CG2 C 13 21.878 0.400 . 1 . . . . 53 THR CG2 . 18994 1 591 . 1 1 53 53 THR N N 15 101.175 0.400 . 1 . . . . 53 THR N . 18994 1 592 . 1 1 54 54 GLY H H 1 7.821 0.020 . 1 . . . . 54 GLY H . 18994 1 593 . 1 1 54 54 GLY HA2 H 1 4.105 0.020 . 2 . . . . 54 GLY HA2 . 18994 1 594 . 1 1 54 54 GLY HA3 H 1 3.617 0.020 . 2 . . . . 54 GLY HA3 . 18994 1 595 . 1 1 54 54 GLY C C 13 173.451 0.400 . 1 . . . . 54 GLY C . 18994 1 596 . 1 1 54 54 GLY CA C 13 45.375 0.400 . 1 . . . . 54 GLY CA . 18994 1 597 . 1 1 54 54 GLY N N 15 108.920 0.400 . 1 . . . . 54 GLY N . 18994 1 598 . 1 1 55 55 TYR H H 1 7.304 0.020 . 1 . . . . 55 TYR H . 18994 1 599 . 1 1 55 55 TYR HA H 1 4.260 0.020 . 1 . . . . 55 TYR HA . 18994 1 600 . 1 1 55 55 TYR HB2 H 1 2.586 0.020 . 2 . . . . 55 TYR HB2 . 18994 1 601 . 1 1 55 55 TYR HB3 H 1 2.586 0.020 . 2 . . . . 55 TYR HB3 . 18994 1 602 . 1 1 55 55 TYR HD1 H 1 7.219 0.020 . 1 . . . . 55 TYR HD1 . 18994 1 603 . 1 1 55 55 TYR HD2 H 1 7.219 0.020 . 1 . . . . 55 TYR HD2 . 18994 1 604 . 1 1 55 55 TYR HE1 H 1 6.941 0.020 . 1 . . . . 55 TYR HE1 . 18994 1 605 . 1 1 55 55 TYR HE2 H 1 6.941 0.020 . 1 . . . . 55 TYR HE2 . 18994 1 606 . 1 1 55 55 TYR C C 13 174.153 0.400 . 1 . . . . 55 TYR C . 18994 1 607 . 1 1 55 55 TYR CA C 13 58.420 0.400 . 1 . . . . 55 TYR CA . 18994 1 608 . 1 1 55 55 TYR CB C 13 40.629 0.400 . 1 . . . . 55 TYR CB . 18994 1 609 . 1 1 55 55 TYR CE2 C 13 117.787 0.400 . 1 . . . . 55 TYR CE2 . 18994 1 610 . 1 1 55 55 TYR N N 15 118.561 0.400 . 1 . . . . 55 TYR N . 18994 1 611 . 1 1 56 56 ALA H H 1 8.838 0.020 . 1 . . . . 56 ALA H . 18994 1 612 . 1 1 56 56 ALA HA H 1 4.456 0.020 . 1 . . . . 56 ALA HA . 18994 1 613 . 1 1 56 56 ALA HB1 H 1 1.461 0.020 . 1 . . . . 56 ALA HB . 18994 1 614 . 1 1 56 56 ALA HB2 H 1 1.461 0.020 . 1 . . . . 56 ALA HB . 18994 1 615 . 1 1 56 56 ALA HB3 H 1 1.461 0.020 . 1 . . . . 56 ALA HB . 18994 1 616 . 1 1 56 56 ALA C C 13 179.123 0.400 . 1 . . . . 56 ALA C . 18994 1 617 . 1 1 56 56 ALA CA C 13 50.313 0.400 . 1 . . . . 56 ALA CA . 18994 1 618 . 1 1 56 56 ALA CB C 13 19.839 0.400 . 1 . . . . 56 ALA CB . 18994 1 619 . 1 1 56 56 ALA N N 15 122.482 0.400 . 1 . . . . 56 ALA N . 18994 1 620 . 1 1 57 57 ARG H H 1 8.781 0.020 . 1 . . . . 57 ARG H . 18994 1 621 . 1 1 57 57 ARG HA H 1 3.682 0.020 . 1 . . . . 57 ARG HA . 18994 1 622 . 1 1 57 57 ARG HB2 H 1 1.461 0.020 . 2 . . . . 57 ARG HB2 . 18994 1 623 . 1 1 57 57 ARG HB3 H 1 1.429 0.020 . 2 . . . . 57 ARG HB3 . 18994 1 624 . 1 1 57 57 ARG HG2 H 1 1.744 0.020 . 2 . . . . 57 ARG HG2 . 18994 1 625 . 1 1 57 57 ARG HG3 H 1 1.744 0.020 . 2 . . . . 57 ARG HG3 . 18994 1 626 . 1 1 57 57 ARG HD2 H 1 3.203 0.020 . 2 . . . . 57 ARG HD2 . 18994 1 627 . 1 1 57 57 ARG HD3 H 1 3.203 0.020 . 2 . . . . 57 ARG HD3 . 18994 1 628 . 1 1 57 57 ARG C C 13 178.529 0.400 . 1 . . . . 57 ARG C . 18994 1 629 . 1 1 57 57 ARG CA C 13 60.856 0.400 . 1 . . . . 57 ARG CA . 18994 1 630 . 1 1 57 57 ARG CB C 13 29.695 0.400 . 1 . . . . 57 ARG CB . 18994 1 631 . 1 1 57 57 ARG CD C 13 42.779 0.400 . 1 . . . . 57 ARG CD . 18994 1 632 . 1 1 57 57 ARG N N 15 122.979 0.400 . 1 . . . . 57 ARG N . 18994 1 633 . 1 1 58 58 ALA H H 1 8.574 0.020 . 1 . . . . 58 ALA H . 18994 1 634 . 1 1 58 58 ALA HA H 1 4.020 0.020 . 1 . . . . 58 ALA HA . 18994 1 635 . 1 1 58 58 ALA HB1 H 1 1.379 0.020 . 1 . . . . 58 ALA HB . 18994 1 636 . 1 1 58 58 ALA HB2 H 1 1.379 0.020 . 1 . . . . 58 ALA HB . 18994 1 637 . 1 1 58 58 ALA HB3 H 1 1.379 0.020 . 1 . . . . 58 ALA HB . 18994 1 638 . 1 1 58 58 ALA C C 13 179.880 0.400 . 1 . . . . 58 ALA C . 18994 1 639 . 1 1 58 58 ALA CA C 13 54.776 0.400 . 1 . . . . 58 ALA CA . 18994 1 640 . 1 1 58 58 ALA CB C 13 18.531 0.400 . 1 . . . . 58 ALA CB . 18994 1 641 . 1 1 58 58 ALA N N 15 116.882 0.400 . 1 . . . . 58 ALA N . 18994 1 642 . 1 1 59 59 GLU H H 1 7.481 0.020 . 1 . . . . 59 GLU H . 18994 1 643 . 1 1 59 59 GLU HA H 1 4.195 0.020 . 1 . . . . 59 GLU HA . 18994 1 644 . 1 1 59 59 GLU HB2 H 1 2.394 0.020 . 2 . . . . 59 GLU HB2 . 18994 1 645 . 1 1 59 59 GLU HB3 H 1 2.078 0.020 . 2 . . . . 59 GLU HB3 . 18994 1 646 . 1 1 59 59 GLU HG2 H 1 2.411 0.020 . 2 . . . . 59 GLU HG2 . 18994 1 647 . 1 1 59 59 GLU HG3 H 1 2.218 0.020 . 2 . . . . 59 GLU HG3 . 18994 1 648 . 1 1 59 59 GLU C C 13 175.854 0.400 . 1 . . . . 59 GLU C . 18994 1 649 . 1 1 59 59 GLU CA C 13 57.068 0.400 . 1 . . . . 59 GLU CA . 18994 1 650 . 1 1 59 59 GLU CB C 13 30.577 0.400 . 1 . . . . 59 GLU CB . 18994 1 651 . 1 1 59 59 GLU CG C 13 37.349 0.400 . 1 . . . . 59 GLU CG . 18994 1 652 . 1 1 59 59 GLU N N 15 113.926 0.400 . 1 . . . . 59 GLU N . 18994 1 653 . 1 1 60 60 LEU H H 1 7.242 0.020 . 1 . . . . 60 LEU H . 18994 1 654 . 1 1 60 60 LEU HA H 1 3.768 0.020 . 1 . . . . 60 LEU HA . 18994 1 655 . 1 1 60 60 LEU HB2 H 1 1.726 0.020 . 2 . . . . 60 LEU HB2 . 18994 1 656 . 1 1 60 60 LEU HB3 H 1 0.882 0.020 . 2 . . . . 60 LEU HB3 . 18994 1 657 . 1 1 60 60 LEU HG H 1 1.463 0.020 . 1 . . . . 60 LEU HG . 18994 1 658 . 1 1 60 60 LEU HD11 H 1 0.782 0.020 . 2 . . . . 60 LEU HD1 . 18994 1 659 . 1 1 60 60 LEU HD12 H 1 0.782 0.020 . 2 . . . . 60 LEU HD1 . 18994 1 660 . 1 1 60 60 LEU HD13 H 1 0.782 0.020 . 2 . . . . 60 LEU HD1 . 18994 1 661 . 1 1 60 60 LEU HD21 H 1 -0.316 0.020 . 2 . . . . 60 LEU HD2 . 18994 1 662 . 1 1 60 60 LEU HD22 H 1 -0.316 0.020 . 2 . . . . 60 LEU HD2 . 18994 1 663 . 1 1 60 60 LEU HD23 H 1 -0.316 0.020 . 2 . . . . 60 LEU HD2 . 18994 1 664 . 1 1 60 60 LEU C C 13 176.688 0.400 . 1 . . . . 60 LEU C . 18994 1 665 . 1 1 60 60 LEU CA C 13 54.949 0.400 . 1 . . . . 60 LEU CA . 18994 1 666 . 1 1 60 60 LEU CB C 13 44.743 0.400 . 1 . . . . 60 LEU CB . 18994 1 667 . 1 1 60 60 LEU CG C 13 27.571 0.400 . 1 . . . . 60 LEU CG . 18994 1 668 . 1 1 60 60 LEU CD1 C 13 25.654 0.400 . 1 . . . . 60 LEU CD1 . 18994 1 669 . 1 1 60 60 LEU CD2 C 13 23.016 0.400 . 1 . . . . 60 LEU CD2 . 18994 1 670 . 1 1 60 60 LEU N N 15 118.067 0.400 . 1 . . . . 60 LEU N . 18994 1 671 . 1 1 61 61 MET H H 1 7.107 0.020 . 1 . . . . 61 MET H . 18994 1 672 . 1 1 61 61 MET HA H 1 3.996 0.020 . 1 . . . . 61 MET HA . 18994 1 673 . 1 1 61 61 MET HB2 H 1 1.998 0.020 . 2 . . . . 61 MET HB2 . 18994 1 674 . 1 1 61 61 MET HB3 H 1 1.998 0.020 . 2 . . . . 61 MET HB3 . 18994 1 675 . 1 1 61 61 MET HG2 H 1 2.726 0.020 . 2 . . . . 61 MET HG2 . 18994 1 676 . 1 1 61 61 MET HG3 H 1 2.726 0.020 . 2 . . . . 61 MET HG3 . 18994 1 677 . 1 1 61 61 MET HE1 H 1 1.889 0.020 . 1 . . . . 61 MET HE . 18994 1 678 . 1 1 61 61 MET HE2 H 1 1.889 0.020 . 1 . . . . 61 MET HE . 18994 1 679 . 1 1 61 61 MET HE3 H 1 1.889 0.020 . 1 . . . . 61 MET HE . 18994 1 680 . 1 1 61 61 MET C C 13 177.618 0.400 . 1 . . . . 61 MET C . 18994 1 681 . 1 1 61 61 MET CA C 13 55.956 0.400 . 1 . . . . 61 MET CA . 18994 1 682 . 1 1 61 61 MET CB C 13 31.113 0.400 . 1 . . . . 61 MET CB . 18994 1 683 . 1 1 61 61 MET CG C 13 32.742 0.400 . 1 . . . . 61 MET CG . 18994 1 684 . 1 1 61 61 MET CE C 13 16.181 0.400 . 1 . . . . 61 MET CE . 18994 1 685 . 1 1 61 61 MET N N 15 114.999 0.400 . 1 . . . . 61 MET N . 18994 1 686 . 1 1 62 62 GLN H H 1 8.989 0.020 . 1 . . . . 62 GLN H . 18994 1 687 . 1 1 62 62 GLN HA H 1 3.751 0.020 . 1 . . . . 62 GLN HA . 18994 1 688 . 1 1 62 62 GLN HB2 H 1 2.380 0.020 . 2 . . . . 62 GLN HB2 . 18994 1 689 . 1 1 62 62 GLN HB3 H 1 2.380 0.020 . 2 . . . . 62 GLN HB3 . 18994 1 690 . 1 1 62 62 GLN HG2 H 1 2.484 0.020 . 2 . . . . 62 GLN HG2 . 18994 1 691 . 1 1 62 62 GLN HG3 H 1 2.484 0.020 . 2 . . . . 62 GLN HG3 . 18994 1 692 . 1 1 62 62 GLN HE21 H 1 7.584 0.020 . 2 . . . . 62 GLN HE21 . 18994 1 693 . 1 1 62 62 GLN HE22 H 1 6.758 0.020 . 2 . . . . 62 GLN HE22 . 18994 1 694 . 1 1 62 62 GLN C C 13 175.524 0.400 . 1 . . . . 62 GLN C . 18994 1 695 . 1 1 62 62 GLN CA C 13 58.483 0.400 . 1 . . . . 62 GLN CA . 18994 1 696 . 1 1 62 62 GLN CB C 13 26.919 0.400 . 1 . . . . 62 GLN CB . 18994 1 697 . 1 1 62 62 GLN CG C 13 34.394 0.400 . 1 . . . . 62 GLN CG . 18994 1 698 . 1 1 62 62 GLN N N 15 112.713 0.400 . 1 . . . . 62 GLN N . 18994 1 699 . 1 1 62 62 GLN NE2 N 15 111.939 0.400 . 1 . . . . 62 GLN NE2 . 18994 1 700 . 1 1 63 63 LYS H H 1 7.849 0.020 . 1 . . . . 63 LYS H . 18994 1 701 . 1 1 63 63 LYS HA H 1 4.465 0.020 . 1 . . . . 63 LYS HA . 18994 1 702 . 1 1 63 63 LYS HB2 H 1 2.052 0.020 . 2 . . . . 63 LYS HB2 . 18994 1 703 . 1 1 63 63 LYS HB3 H 1 2.052 0.020 . 2 . . . . 63 LYS HB3 . 18994 1 704 . 1 1 63 63 LYS HG2 H 1 1.300 0.020 . 2 . . . . 63 LYS HG2 . 18994 1 705 . 1 1 63 63 LYS HG3 H 1 1.300 0.020 . 2 . . . . 63 LYS HG3 . 18994 1 706 . 1 1 63 63 LYS HE2 H 1 2.934 0.020 . 2 . . . . 63 LYS HE2 . 18994 1 707 . 1 1 63 63 LYS HE3 H 1 2.934 0.020 . 2 . . . . 63 LYS HE3 . 18994 1 708 . 1 1 63 63 LYS C C 13 176.768 0.400 . 1 . . . . 63 LYS C . 18994 1 709 . 1 1 63 63 LYS CA C 13 55.736 0.400 . 1 . . . . 63 LYS CA . 18994 1 710 . 1 1 63 63 LYS CB C 13 33.030 0.400 . 1 . . . . 63 LYS CB . 18994 1 711 . 1 1 63 63 LYS CG C 13 26.345 0.400 . 1 . . . . 63 LYS CG . 18994 1 712 . 1 1 63 63 LYS CE C 13 43.056 0.400 . 1 . . . . 63 LYS CE . 18994 1 713 . 1 1 63 63 LYS N N 15 119.190 0.400 . 1 . . . . 63 LYS N . 18994 1 714 . 1 1 64 64 SER H H 1 8.786 0.020 . 1 . . . . 64 SER H . 18994 1 715 . 1 1 64 64 SER HA H 1 5.754 0.020 . 1 . . . . 64 SER HA . 18994 1 716 . 1 1 64 64 SER C C 13 179.265 0.400 . 1 . . . . 64 SER C . 18994 1 717 . 1 1 64 64 SER CA C 13 59.082 0.400 . 1 . . . . 64 SER CA . 18994 1 718 . 1 1 64 64 SER CB C 13 63.389 0.400 . 1 . . . . 64 SER CB . 18994 1 719 . 1 1 64 64 SER N N 15 113.539 0.400 . 1 . . . . 64 SER N . 18994 1 720 . 1 1 65 65 CYS H H 1 8.967 0.020 . 1 . . . . 65 CYS H . 18994 1 721 . 1 1 65 65 CYS HA H 1 4.535 0.020 . 1 . . . . 65 CYS HA . 18994 1 722 . 1 1 65 65 CYS HB2 H 1 3.058 0.020 . 2 . . . . 65 CYS HB2 . 18994 1 723 . 1 1 65 65 CYS HB3 H 1 2.812 0.020 . 2 . . . . 65 CYS HB3 . 18994 1 724 . 1 1 65 65 CYS C C 13 172.245 0.400 . 1 . . . . 65 CYS C . 18994 1 725 . 1 1 65 65 CYS CA C 13 60.527 0.400 . 1 . . . . 65 CYS CA . 18994 1 726 . 1 1 65 65 CYS CB C 13 26.128 0.400 . 1 . . . . 65 CYS CB . 18994 1 727 . 1 1 65 65 CYS N N 15 124.227 0.400 . 1 . . . . 65 CYS N . 18994 1 728 . 1 1 66 66 ALA H H 1 8.413 0.020 . 1 . . . . 66 ALA H . 18994 1 729 . 1 1 66 66 ALA HA H 1 3.909 0.020 . 1 . . . . 66 ALA HA . 18994 1 730 . 1 1 66 66 ALA HB1 H 1 1.096 0.020 . 1 . . . . 66 ALA HB . 18994 1 731 . 1 1 66 66 ALA HB2 H 1 1.096 0.020 . 1 . . . . 66 ALA HB . 18994 1 732 . 1 1 66 66 ALA HB3 H 1 1.096 0.020 . 1 . . . . 66 ALA HB . 18994 1 733 . 1 1 66 66 ALA C C 13 176.650 0.400 . 1 . . . . 66 ALA C . 18994 1 734 . 1 1 66 66 ALA CA C 13 53.180 0.400 . 1 . . . . 66 ALA CA . 18994 1 735 . 1 1 66 66 ALA CB C 13 17.664 0.400 . 1 . . . . 66 ALA CB . 18994 1 736 . 1 1 66 66 ALA N N 15 122.329 0.400 . 1 . . . . 66 ALA N . 18994 1 737 . 1 1 67 67 CYS H H 1 7.991 0.020 . 1 . . . . 67 CYS H . 18994 1 738 . 1 1 67 67 CYS HA H 1 2.974 0.020 . 1 . . . . 67 CYS HA . 18994 1 739 . 1 1 67 67 CYS HB2 H 1 3.266 0.020 . 2 . . . . 67 CYS HB2 . 18994 1 740 . 1 1 67 67 CYS HB3 H 1 1.760 0.020 . 2 . . . . 67 CYS HB3 . 18994 1 741 . 1 1 67 67 CYS CA C 13 59.987 0.400 . 1 . . . . 67 CYS CA . 18994 1 742 . 1 1 67 67 CYS CB C 13 23.629 0.400 . 1 . . . . 67 CYS CB . 18994 1 743 . 1 1 67 67 CYS N N 15 105.372 0.400 . 1 . . . . 67 CYS N . 18994 1 744 . 1 1 68 68 HIS HB2 H 1 2.907 0.020 . 2 . . . . 68 HIS HB2 . 18994 1 745 . 1 1 68 68 HIS HB3 H 1 2.907 0.020 . 2 . . . . 68 HIS HB3 . 18994 1 746 . 1 1 68 68 HIS C C 13 177.196 0.400 . 1 . . . . 68 HIS C . 18994 1 747 . 1 1 68 68 HIS CA C 13 57.603 0.400 . 1 . . . . 68 HIS CA . 18994 1 748 . 1 1 68 68 HIS CB C 13 30.070 0.400 . 1 . . . . 68 HIS CB . 18994 1 749 . 1 1 69 69 PHE H H 1 6.411 0.020 . 1 . . . . 69 PHE H . 18994 1 750 . 1 1 69 69 PHE HA H 1 4.470 0.020 . 1 . . . . 69 PHE HA . 18994 1 751 . 1 1 69 69 PHE HB2 H 1 2.965 0.020 . 2 . . . . 69 PHE HB2 . 18994 1 752 . 1 1 69 69 PHE HB3 H 1 2.965 0.020 . 2 . . . . 69 PHE HB3 . 18994 1 753 . 1 1 69 69 PHE HD1 H 1 6.891 0.020 . 1 . . . . 69 PHE HD1 . 18994 1 754 . 1 1 69 69 PHE HD2 H 1 6.891 0.020 . 1 . . . . 69 PHE HD2 . 18994 1 755 . 1 1 69 69 PHE HE1 H 1 7.168 0.020 . 1 . . . . 69 PHE HE1 . 18994 1 756 . 1 1 69 69 PHE HE2 H 1 7.168 0.020 . 1 . . . . 69 PHE HE2 . 18994 1 757 . 1 1 69 69 PHE C C 13 175.367 0.400 . 1 . . . . 69 PHE C . 18994 1 758 . 1 1 69 69 PHE CA C 13 56.653 0.400 . 1 . . . . 69 PHE CA . 18994 1 759 . 1 1 69 69 PHE CB C 13 36.865 0.400 . 1 . . . . 69 PHE CB . 18994 1 760 . 1 1 69 69 PHE N N 15 110.902 0.400 . 1 . . . . 69 PHE N . 18994 1 761 . 1 1 70 70 LEU H H 1 6.991 0.020 . 1 . . . . 70 LEU H . 18994 1 762 . 1 1 70 70 LEU HA H 1 4.792 0.020 . 1 . . . . 70 LEU HA . 18994 1 763 . 1 1 70 70 LEU HB2 H 1 1.179 0.020 . 2 . . . . 70 LEU HB2 . 18994 1 764 . 1 1 70 70 LEU HB3 H 1 0.830 0.020 . 2 . . . . 70 LEU HB3 . 18994 1 765 . 1 1 70 70 LEU HD11 H 1 1.019 0.020 . 2 . . . . 70 LEU HD1 . 18994 1 766 . 1 1 70 70 LEU HD12 H 1 1.019 0.020 . 2 . . . . 70 LEU HD1 . 18994 1 767 . 1 1 70 70 LEU HD13 H 1 1.019 0.020 . 2 . . . . 70 LEU HD1 . 18994 1 768 . 1 1 70 70 LEU HD21 H 1 0.504 0.020 . 2 . . . . 70 LEU HD2 . 18994 1 769 . 1 1 70 70 LEU HD22 H 1 0.504 0.020 . 2 . . . . 70 LEU HD2 . 18994 1 770 . 1 1 70 70 LEU HD23 H 1 0.504 0.020 . 2 . . . . 70 LEU HD2 . 18994 1 771 . 1 1 70 70 LEU C C 13 175.773 0.400 . 1 . . . . 70 LEU C . 18994 1 772 . 1 1 70 70 LEU CA C 13 54.037 0.400 . 1 . . . . 70 LEU CA . 18994 1 773 . 1 1 70 70 LEU CB C 13 40.622 0.400 . 1 . . . . 70 LEU CB . 18994 1 774 . 1 1 70 70 LEU CG C 13 26.512 0.400 . 1 . . . . 70 LEU CG . 18994 1 775 . 1 1 70 70 LEU CD1 C 13 23.221 0.400 . 1 . . . . 70 LEU CD1 . 18994 1 776 . 1 1 70 70 LEU N N 15 119.404 0.400 . 1 . . . . 70 LEU N . 18994 1 777 . 1 1 71 71 TYR H H 1 7.370 0.020 . 1 . . . . 71 TYR H . 18994 1 778 . 1 1 71 71 TYR HA H 1 5.000 0.020 . 1 . . . . 71 TYR HA . 18994 1 779 . 1 1 71 71 TYR HB2 H 1 3.252 0.020 . 2 . . . . 71 TYR HB2 . 18994 1 780 . 1 1 71 71 TYR HB3 H 1 3.252 0.020 . 2 . . . . 71 TYR HB3 . 18994 1 781 . 1 1 71 71 TYR HD1 H 1 7.152 0.020 . 1 . . . . 71 TYR HD1 . 18994 1 782 . 1 1 71 71 TYR HD2 H 1 7.152 0.020 . 1 . . . . 71 TYR HD2 . 18994 1 783 . 1 1 71 71 TYR HE1 H 1 6.686 0.020 . 1 . . . . 71 TYR HE1 . 18994 1 784 . 1 1 71 71 TYR HE2 H 1 6.686 0.020 . 1 . . . . 71 TYR HE2 . 18994 1 785 . 1 1 71 71 TYR CA C 13 56.317 0.400 . 1 . . . . 71 TYR CA . 18994 1 786 . 1 1 71 71 TYR CB C 13 37.876 0.400 . 1 . . . . 71 TYR CB . 18994 1 787 . 1 1 71 71 TYR CE2 C 13 119.334 0.400 . 1 . . . . 71 TYR CE2 . 18994 1 788 . 1 1 71 71 TYR N N 15 119.227 0.400 . 1 . . . . 71 TYR N . 18994 1 789 . 1 1 73 73 PRO HA H 1 4.146 0.020 . 1 . . . . 73 PRO HA . 18994 1 790 . 1 1 73 73 PRO HB2 H 1 2.251 0.020 . 2 . . . . 73 PRO HB2 . 18994 1 791 . 1 1 73 73 PRO HB3 H 1 1.886 0.020 . 2 . . . . 73 PRO HB3 . 18994 1 792 . 1 1 73 73 PRO HG2 H 1 2.407 0.020 . 2 . . . . 73 PRO HG2 . 18994 1 793 . 1 1 73 73 PRO C C 13 178.099 0.400 . 1 . . . . 73 PRO C . 18994 1 794 . 1 1 73 73 PRO CA C 13 66.372 0.400 . 1 . . . . 73 PRO CA . 18994 1 795 . 1 1 73 73 PRO CB C 13 32.648 0.400 . 1 . . . . 73 PRO CB . 18994 1 796 . 1 1 74 74 GLU H H 1 8.381 0.020 . 1 . . . . 74 GLU H . 18994 1 797 . 1 1 74 74 GLU HA H 1 4.364 0.020 . 1 . . . . 74 GLU HA . 18994 1 798 . 1 1 74 74 GLU HB2 H 1 2.220 0.020 . 2 . . . . 74 GLU HB2 . 18994 1 799 . 1 1 74 74 GLU HB3 H 1 1.712 0.020 . 2 . . . . 74 GLU HB3 . 18994 1 800 . 1 1 74 74 GLU HG2 H 1 2.240 0.020 . 2 . . . . 74 GLU HG2 . 18994 1 801 . 1 1 74 74 GLU HG3 H 1 2.240 0.020 . 2 . . . . 74 GLU HG3 . 18994 1 802 . 1 1 74 74 GLU C C 13 176.945 0.400 . 1 . . . . 74 GLU C . 18994 1 803 . 1 1 74 74 GLU CA C 13 55.889 0.400 . 1 . . . . 74 GLU CA . 18994 1 804 . 1 1 74 74 GLU CB C 13 28.971 0.400 . 1 . . . . 74 GLU CB . 18994 1 805 . 1 1 74 74 GLU CG C 13 36.751 0.400 . 1 . . . . 74 GLU CG . 18994 1 806 . 1 1 74 74 GLU N N 15 111.114 0.400 . 1 . . . . 74 GLU N . 18994 1 807 . 1 1 75 75 THR H H 1 8.389 0.020 . 1 . . . . 75 THR H . 18994 1 808 . 1 1 75 75 THR HA H 1 4.011 0.020 . 1 . . . . 75 THR HA . 18994 1 809 . 1 1 75 75 THR HB H 1 4.021 0.020 . 1 . . . . 75 THR HB . 18994 1 810 . 1 1 75 75 THR HG21 H 1 1.112 0.020 . 1 . . . . 75 THR HG2 . 18994 1 811 . 1 1 75 75 THR HG22 H 1 1.112 0.020 . 1 . . . . 75 THR HG2 . 18994 1 812 . 1 1 75 75 THR HG23 H 1 1.112 0.020 . 1 . . . . 75 THR HG2 . 18994 1 813 . 1 1 75 75 THR C C 13 174.141 0.400 . 1 . . . . 75 THR C . 18994 1 814 . 1 1 75 75 THR CA C 13 63.719 0.400 . 1 . . . . 75 THR CA . 18994 1 815 . 1 1 75 75 THR CB C 13 68.079 0.400 . 1 . . . . 75 THR CB . 18994 1 816 . 1 1 75 75 THR CG2 C 13 23.260 0.400 . 1 . . . . 75 THR CG2 . 18994 1 817 . 1 1 75 75 THR N N 15 122.290 0.400 . 1 . . . . 75 THR N . 18994 1 818 . 1 1 76 76 SER H H 1 7.861 0.020 . 1 . . . . 76 SER H . 18994 1 819 . 1 1 76 76 SER HA H 1 4.326 0.020 . 1 . . . . 76 SER HA . 18994 1 820 . 1 1 76 76 SER HB2 H 1 4.244 0.020 . 2 . . . . 76 SER HB2 . 18994 1 821 . 1 1 76 76 SER HB3 H 1 3.772 0.020 . 2 . . . . 76 SER HB3 . 18994 1 822 . 1 1 76 76 SER C C 13 175.787 0.400 . 1 . . . . 76 SER C . 18994 1 823 . 1 1 76 76 SER CA C 13 58.198 0.400 . 1 . . . . 76 SER CA . 18994 1 824 . 1 1 76 76 SER CB C 13 63.817 0.400 . 1 . . . . 76 SER CB . 18994 1 825 . 1 1 76 76 SER N N 15 120.788 0.400 . 1 . . . . 76 SER N . 18994 1 826 . 1 1 77 77 ASP H H 1 9.005 0.020 . 1 . . . . 77 ASP H . 18994 1 827 . 1 1 77 77 ASP HA H 1 4.543 0.020 . 1 . . . . 77 ASP HA . 18994 1 828 . 1 1 77 77 ASP HB2 H 1 2.729 0.020 . 2 . . . . 77 ASP HB2 . 18994 1 829 . 1 1 77 77 ASP HB3 H 1 2.729 0.020 . 2 . . . . 77 ASP HB3 . 18994 1 830 . 1 1 77 77 ASP C C 13 179.237 0.400 . 1 . . . . 77 ASP C . 18994 1 831 . 1 1 77 77 ASP CA C 13 57.303 0.400 . 1 . . . . 77 ASP CA . 18994 1 832 . 1 1 77 77 ASP CB C 13 40.217 0.400 . 1 . . . . 77 ASP CB . 18994 1 833 . 1 1 77 77 ASP N N 15 130.310 0.400 . 1 . . . . 77 ASP N . 18994 1 834 . 1 1 78 78 ARG H H 1 8.266 0.020 . 1 . . . . 78 ARG H . 18994 1 835 . 1 1 78 78 ARG HA H 1 4.154 0.020 . 1 . . . . 78 ARG HA . 18994 1 836 . 1 1 78 78 ARG HB2 H 1 1.869 0.020 . 2 . . . . 78 ARG HB2 . 18994 1 837 . 1 1 78 78 ARG HB3 H 1 1.869 0.020 . 2 . . . . 78 ARG HB3 . 18994 1 838 . 1 1 78 78 ARG HG2 H 1 1.737 0.020 . 2 . . . . 78 ARG HG2 . 18994 1 839 . 1 1 78 78 ARG HG3 H 1 1.737 0.020 . 2 . . . . 78 ARG HG3 . 18994 1 840 . 1 1 78 78 ARG HD2 H 1 3.254 0.020 . 2 . . . . 78 ARG HD2 . 18994 1 841 . 1 1 78 78 ARG HD3 H 1 3.254 0.020 . 2 . . . . 78 ARG HD3 . 18994 1 842 . 1 1 78 78 ARG C C 13 179.272 0.400 . 1 . . . . 78 ARG C . 18994 1 843 . 1 1 78 78 ARG CA C 13 58.785 0.400 . 1 . . . . 78 ARG CA . 18994 1 844 . 1 1 78 78 ARG CB C 13 30.166 0.400 . 1 . . . . 78 ARG CB . 18994 1 845 . 1 1 78 78 ARG CG C 13 27.434 0.400 . 1 . . . . 78 ARG CG . 18994 1 846 . 1 1 78 78 ARG CD C 13 43.345 0.400 . 1 . . . . 78 ARG CD . 18994 1 847 . 1 1 78 78 ARG N N 15 121.701 0.400 . 1 . . . . 78 ARG N . 18994 1 848 . 1 1 79 79 LEU H H 1 7.507 0.020 . 1 . . . . 79 LEU H . 18994 1 849 . 1 1 79 79 LEU HA H 1 4.229 0.020 . 1 . . . . 79 LEU HA . 18994 1 850 . 1 1 79 79 LEU HB2 H 1 1.882 0.020 . 2 . . . . 79 LEU HB2 . 18994 1 851 . 1 1 79 79 LEU HB3 H 1 1.356 0.020 . 2 . . . . 79 LEU HB3 . 18994 1 852 . 1 1 79 79 LEU HG H 1 1.802 0.020 . 1 . . . . 79 LEU HG . 18994 1 853 . 1 1 79 79 LEU HD11 H 1 1.175 0.020 . 2 . . . . 79 LEU HD1 . 18994 1 854 . 1 1 79 79 LEU HD12 H 1 1.175 0.020 . 2 . . . . 79 LEU HD1 . 18994 1 855 . 1 1 79 79 LEU HD13 H 1 1.175 0.020 . 2 . . . . 79 LEU HD1 . 18994 1 856 . 1 1 79 79 LEU HD21 H 1 0.993 0.020 . 2 . . . . 79 LEU HD2 . 18994 1 857 . 1 1 79 79 LEU HD22 H 1 0.993 0.020 . 2 . . . . 79 LEU HD2 . 18994 1 858 . 1 1 79 79 LEU HD23 H 1 0.993 0.020 . 2 . . . . 79 LEU HD2 . 18994 1 859 . 1 1 79 79 LEU C C 13 179.377 0.400 . 1 . . . . 79 LEU C . 18994 1 860 . 1 1 79 79 LEU CA C 13 57.331 0.400 . 1 . . . . 79 LEU CA . 18994 1 861 . 1 1 79 79 LEU CB C 13 41.363 0.400 . 1 . . . . 79 LEU CB . 18994 1 862 . 1 1 79 79 LEU CG C 13 26.595 0.400 . 1 . . . . 79 LEU CG . 18994 1 863 . 1 1 79 79 LEU CD2 C 13 22.350 0.400 . 1 . . . . 79 LEU CD2 . 18994 1 864 . 1 1 79 79 LEU N N 15 118.903 0.400 . 1 . . . . 79 LEU N . 18994 1 865 . 1 1 80 80 MET H H 1 8.173 0.020 . 1 . . . . 80 MET H . 18994 1 866 . 1 1 80 80 MET HA H 1 3.995 0.020 . 1 . . . . 80 MET HA . 18994 1 867 . 1 1 80 80 MET HB2 H 1 1.981 0.020 . 2 . . . . 80 MET HB2 . 18994 1 868 . 1 1 80 80 MET HB3 H 1 1.793 0.020 . 2 . . . . 80 MET HB3 . 18994 1 869 . 1 1 80 80 MET HG2 H 1 2.428 0.020 . 2 . . . . 80 MET HG2 . 18994 1 870 . 1 1 80 80 MET HG3 H 1 2.191 0.020 . 2 . . . . 80 MET HG3 . 18994 1 871 . 1 1 80 80 MET HE1 H 1 1.970 0.020 . 1 . . . . 80 MET HE . 18994 1 872 . 1 1 80 80 MET HE2 H 1 1.970 0.020 . 1 . . . . 80 MET HE . 18994 1 873 . 1 1 80 80 MET HE3 H 1 1.970 0.020 . 1 . . . . 80 MET HE . 18994 1 874 . 1 1 80 80 MET C C 13 179.536 0.400 . 1 . . . . 80 MET C . 18994 1 875 . 1 1 80 80 MET CA C 13 59.355 0.400 . 1 . . . . 80 MET CA . 18994 1 876 . 1 1 80 80 MET CB C 13 31.462 0.400 . 1 . . . . 80 MET CB . 18994 1 877 . 1 1 80 80 MET CE C 13 17.305 0.400 . 1 . . . . 80 MET CE . 18994 1 878 . 1 1 80 80 MET N N 15 118.610 0.400 . 1 . . . . 80 MET N . 18994 1 879 . 1 1 81 81 ALA H H 1 7.656 0.020 . 1 . . . . 81 ALA H . 18994 1 880 . 1 1 81 81 ALA HA H 1 4.212 0.020 . 1 . . . . 81 ALA HA . 18994 1 881 . 1 1 81 81 ALA HB1 H 1 1.508 0.020 . 1 . . . . 81 ALA HB . 18994 1 882 . 1 1 81 81 ALA HB2 H 1 1.508 0.020 . 1 . . . . 81 ALA HB . 18994 1 883 . 1 1 81 81 ALA HB3 H 1 1.508 0.020 . 1 . . . . 81 ALA HB . 18994 1 884 . 1 1 81 81 ALA C C 13 180.960 0.400 . 1 . . . . 81 ALA C . 18994 1 885 . 1 1 81 81 ALA CA C 13 55.112 0.400 . 1 . . . . 81 ALA CA . 18994 1 886 . 1 1 81 81 ALA CB C 13 17.873 0.400 . 1 . . . . 81 ALA CB . 18994 1 887 . 1 1 81 81 ALA N N 15 121.483 0.400 . 1 . . . . 81 ALA N . 18994 1 888 . 1 1 82 82 GLN H H 1 7.705 0.020 . 1 . . . . 82 GLN H . 18994 1 889 . 1 1 82 82 GLN HA H 1 3.884 0.020 . 1 . . . . 82 GLN HA . 18994 1 890 . 1 1 82 82 GLN HB2 H 1 2.127 0.020 . 2 . . . . 82 GLN HB2 . 18994 1 891 . 1 1 82 82 GLN HG2 H 1 2.622 0.020 . 2 . . . . 82 GLN HG2 . 18994 1 892 . 1 1 82 82 GLN HG3 H 1 2.318 0.020 . 2 . . . . 82 GLN HG3 . 18994 1 893 . 1 1 82 82 GLN HE21 H 1 7.237 0.020 . 2 . . . . 82 GLN HE21 . 18994 1 894 . 1 1 82 82 GLN HE22 H 1 6.760 0.020 . 2 . . . . 82 GLN HE22 . 18994 1 895 . 1 1 82 82 GLN C C 13 178.654 0.400 . 1 . . . . 82 GLN C . 18994 1 896 . 1 1 82 82 GLN CA C 13 58.786 0.400 . 1 . . . . 82 GLN CA . 18994 1 897 . 1 1 82 82 GLN CB C 13 28.913 0.400 . 1 . . . . 82 GLN CB . 18994 1 898 . 1 1 82 82 GLN CG C 13 34.630 0.400 . 1 . . . . 82 GLN CG . 18994 1 899 . 1 1 82 82 GLN N N 15 119.523 0.400 . 1 . . . . 82 GLN N . 18994 1 900 . 1 1 82 82 GLN NE2 N 15 109.921 0.400 . 1 . . . . 82 GLN NE2 . 18994 1 901 . 1 1 83 83 ILE H H 1 8.143 0.020 . 1 . . . . 83 ILE H . 18994 1 902 . 1 1 83 83 ILE HA H 1 3.069 0.020 . 1 . . . . 83 ILE HA . 18994 1 903 . 1 1 83 83 ILE HB H 1 1.954 0.020 . 1 . . . . 83 ILE HB . 18994 1 904 . 1 1 83 83 ILE HG12 H 1 1.162 0.020 . 2 . . . . 83 ILE HG12 . 18994 1 905 . 1 1 83 83 ILE HG13 H 1 1.162 0.020 . 2 . . . . 83 ILE HG13 . 18994 1 906 . 1 1 83 83 ILE HG21 H 1 0.821 0.020 . 1 . . . . 83 ILE HG2 . 18994 1 907 . 1 1 83 83 ILE HG22 H 1 0.821 0.020 . 1 . . . . 83 ILE HG2 . 18994 1 908 . 1 1 83 83 ILE HG23 H 1 0.821 0.020 . 1 . . . . 83 ILE HG2 . 18994 1 909 . 1 1 83 83 ILE HD11 H 1 0.857 0.020 . 1 . . . . 83 ILE HD1 . 18994 1 910 . 1 1 83 83 ILE HD12 H 1 0.857 0.020 . 1 . . . . 83 ILE HD1 . 18994 1 911 . 1 1 83 83 ILE HD13 H 1 0.857 0.020 . 1 . . . . 83 ILE HD1 . 18994 1 912 . 1 1 83 83 ILE C C 13 176.002 0.400 . 1 . . . . 83 ILE C . 18994 1 913 . 1 1 83 83 ILE CA C 13 65.961 0.400 . 1 . . . . 83 ILE CA . 18994 1 914 . 1 1 83 83 ILE CB C 13 38.468 0.400 . 1 . . . . 83 ILE CB . 18994 1 915 . 1 1 83 83 ILE CG1 C 13 30.015 0.400 . 1 . . . . 83 ILE CG1 . 18994 1 916 . 1 1 83 83 ILE CG2 C 13 16.004 0.400 . 1 . . . . 83 ILE CG2 . 18994 1 917 . 1 1 83 83 ILE CD1 C 13 14.736 0.400 . 1 . . . . 83 ILE CD1 . 18994 1 918 . 1 1 83 83 ILE N N 15 122.172 0.400 . 1 . . . . 83 ILE N . 18994 1 919 . 1 1 84 84 GLN H H 1 7.172 0.020 . 1 . . . . 84 GLN H . 18994 1 920 . 1 1 84 84 GLN HA H 1 3.696 0.020 . 1 . . . . 84 GLN HA . 18994 1 921 . 1 1 84 84 GLN HB2 H 1 2.246 0.020 . 2 . . . . 84 GLN HB2 . 18994 1 922 . 1 1 84 84 GLN HB3 H 1 1.988 0.020 . 2 . . . . 84 GLN HB3 . 18994 1 923 . 1 1 84 84 GLN HG2 H 1 2.480 0.020 . 2 . . . . 84 GLN HG2 . 18994 1 924 . 1 1 84 84 GLN HG3 H 1 2.480 0.020 . 2 . . . . 84 GLN HG3 . 18994 1 925 . 1 1 84 84 GLN C C 13 177.764 0.400 . 1 . . . . 84 GLN C . 18994 1 926 . 1 1 84 84 GLN CA C 13 58.524 0.400 . 1 . . . . 84 GLN CA . 18994 1 927 . 1 1 84 84 GLN CB C 13 27.555 0.400 . 1 . . . . 84 GLN CB . 18994 1 928 . 1 1 84 84 GLN CG C 13 32.610 0.400 . 1 . . . . 84 GLN CG . 18994 1 929 . 1 1 84 84 GLN N N 15 116.867 0.400 . 1 . . . . 84 GLN N . 18994 1 930 . 1 1 85 85 GLY H H 1 8.134 0.020 . 1 . . . . 85 GLY H . 18994 1 931 . 1 1 85 85 GLY HA2 H 1 3.856 0.020 . 2 . . . . 85 GLY HA2 . 18994 1 932 . 1 1 85 85 GLY HA3 H 1 3.660 0.020 . 2 . . . . 85 GLY HA3 . 18994 1 933 . 1 1 85 85 GLY C C 13 174.819 0.400 . 1 . . . . 85 GLY C . 18994 1 934 . 1 1 85 85 GLY CA C 13 47.177 0.400 . 1 . . . . 85 GLY CA . 18994 1 935 . 1 1 85 85 GLY N N 15 104.601 0.400 . 1 . . . . 85 GLY N . 18994 1 936 . 1 1 86 86 ALA H H 1 7.662 0.020 . 1 . . . . 86 ALA H . 18994 1 937 . 1 1 86 86 ALA HA H 1 3.801 0.020 . 1 . . . . 86 ALA HA . 18994 1 938 . 1 1 86 86 ALA HB1 H 1 1.163 0.020 . 1 . . . . 86 ALA HB . 18994 1 939 . 1 1 86 86 ALA HB2 H 1 1.163 0.020 . 1 . . . . 86 ALA HB . 18994 1 940 . 1 1 86 86 ALA HB3 H 1 1.163 0.020 . 1 . . . . 86 ALA HB . 18994 1 941 . 1 1 86 86 ALA C C 13 179.724 0.400 . 1 . . . . 86 ALA C . 18994 1 942 . 1 1 86 86 ALA CA C 13 55.538 0.400 . 1 . . . . 86 ALA CA . 18994 1 943 . 1 1 86 86 ALA CB C 13 17.590 0.400 . 1 . . . . 86 ALA CB . 18994 1 944 . 1 1 86 86 ALA N N 15 123.919 0.400 . 1 . . . . 86 ALA N . 18994 1 945 . 1 1 87 87 LEU H H 1 7.247 0.020 . 1 . . . . 87 LEU H . 18994 1 946 . 1 1 87 87 LEU HA H 1 3.279 0.020 . 1 . . . . 87 LEU HA . 18994 1 947 . 1 1 87 87 LEU HB2 H 1 1.489 0.020 . 2 . . . . 87 LEU HB2 . 18994 1 948 . 1 1 87 87 LEU HB3 H 1 1.489 0.020 . 2 . . . . 87 LEU HB3 . 18994 1 949 . 1 1 87 87 LEU HG H 1 1.434 0.020 . 1 . . . . 87 LEU HG . 18994 1 950 . 1 1 87 87 LEU HD11 H 1 -0.709 0.020 . 2 . . . . 87 LEU HD1 . 18994 1 951 . 1 1 87 87 LEU HD12 H 1 -0.709 0.020 . 2 . . . . 87 LEU HD1 . 18994 1 952 . 1 1 87 87 LEU HD13 H 1 -0.709 0.020 . 2 . . . . 87 LEU HD1 . 18994 1 953 . 1 1 87 87 LEU HD21 H 1 0.461 0.020 . 2 . . . . 87 LEU HD2 . 18994 1 954 . 1 1 87 87 LEU HD22 H 1 0.461 0.020 . 2 . . . . 87 LEU HD2 . 18994 1 955 . 1 1 87 87 LEU HD23 H 1 0.461 0.020 . 2 . . . . 87 LEU HD2 . 18994 1 956 . 1 1 87 87 LEU C C 13 179.643 0.400 . 1 . . . . 87 LEU C . 18994 1 957 . 1 1 87 87 LEU CA C 13 56.746 0.400 . 1 . . . . 87 LEU CA . 18994 1 958 . 1 1 87 87 LEU CB C 13 40.491 0.400 . 1 . . . . 87 LEU CB . 18994 1 959 . 1 1 87 87 LEU CD1 C 13 26.699 0.400 . 1 . . . . 87 LEU CD1 . 18994 1 960 . 1 1 87 87 LEU CD2 C 13 21.204 0.400 . 1 . . . . 87 LEU CD2 . 18994 1 961 . 1 1 87 87 LEU N N 15 116.420 0.400 . 1 . . . . 87 LEU N . 18994 1 962 . 1 1 88 88 ASP H H 1 8.592 0.020 . 1 . . . . 88 ASP H . 18994 1 963 . 1 1 88 88 ASP HA H 1 4.543 0.020 . 1 . . . . 88 ASP HA . 18994 1 964 . 1 1 88 88 ASP HB2 H 1 2.814 0.020 . 2 . . . . 88 ASP HB2 . 18994 1 965 . 1 1 88 88 ASP HB3 H 1 2.814 0.020 . 2 . . . . 88 ASP HB3 . 18994 1 966 . 1 1 88 88 ASP C C 13 178.923 0.400 . 1 . . . . 88 ASP C . 18994 1 967 . 1 1 88 88 ASP CA C 13 57.537 0.400 . 1 . . . . 88 ASP CA . 18994 1 968 . 1 1 88 88 ASP CB C 13 40.325 0.400 . 1 . . . . 88 ASP CB . 18994 1 969 . 1 1 88 88 ASP N N 15 118.461 0.400 . 1 . . . . 88 ASP N . 18994 1 970 . 1 1 89 89 GLU H H 1 8.278 0.020 . 1 . . . . 89 GLU H . 18994 1 971 . 1 1 89 89 GLU HA H 1 4.292 0.020 . 1 . . . . 89 GLU HA . 18994 1 972 . 1 1 89 89 GLU HB2 H 1 2.188 0.020 . 2 . . . . 89 GLU HB2 . 18994 1 973 . 1 1 89 89 GLU HB3 H 1 1.862 0.020 . 2 . . . . 89 GLU HB3 . 18994 1 974 . 1 1 89 89 GLU HG2 H 1 2.496 0.020 . 2 . . . . 89 GLU HG2 . 18994 1 975 . 1 1 89 89 GLU HG3 H 1 2.267 0.020 . 2 . . . . 89 GLU HG3 . 18994 1 976 . 1 1 89 89 GLU C C 13 175.276 0.400 . 1 . . . . 89 GLU C . 18994 1 977 . 1 1 89 89 GLU CA C 13 56.202 0.400 . 1 . . . . 89 GLU CA . 18994 1 978 . 1 1 89 89 GLU CB C 13 29.572 0.400 . 1 . . . . 89 GLU CB . 18994 1 979 . 1 1 89 89 GLU CG C 13 36.983 0.400 . 1 . . . . 89 GLU CG . 18994 1 980 . 1 1 89 89 GLU N N 15 116.198 0.400 . 1 . . . . 89 GLU N . 18994 1 981 . 1 1 90 90 ARG H H 1 8.002 0.020 . 1 . . . . 90 ARG H . 18994 1 982 . 1 1 90 90 ARG HA H 1 3.842 0.020 . 1 . . . . 90 ARG HA . 18994 1 983 . 1 1 90 90 ARG HB2 H 1 2.357 0.020 . 2 . . . . 90 ARG HB2 . 18994 1 984 . 1 1 90 90 ARG HB3 H 1 1.852 0.020 . 2 . . . . 90 ARG HB3 . 18994 1 985 . 1 1 90 90 ARG HG2 H 1 1.772 0.020 . 2 . . . . 90 ARG HG2 . 18994 1 986 . 1 1 90 90 ARG HG3 H 1 1.772 0.020 . 2 . . . . 90 ARG HG3 . 18994 1 987 . 1 1 90 90 ARG HD2 H 1 3.293 0.020 . 2 . . . . 90 ARG HD2 . 18994 1 988 . 1 1 90 90 ARG HD3 H 1 3.293 0.020 . 2 . . . . 90 ARG HD3 . 18994 1 989 . 1 1 90 90 ARG C C 13 173.904 0.400 . 1 . . . . 90 ARG C . 18994 1 990 . 1 1 90 90 ARG CA C 13 57.181 0.400 . 1 . . . . 90 ARG CA . 18994 1 991 . 1 1 90 90 ARG CB C 13 27.002 0.400 . 1 . . . . 90 ARG CB . 18994 1 992 . 1 1 90 90 ARG CD C 13 43.768 0.400 . 1 . . . . 90 ARG CD . 18994 1 993 . 1 1 90 90 ARG N N 15 118.576 0.400 . 1 . . . . 90 ARG N . 18994 1 994 . 1 1 91 91 ARG H H 1 8.610 0.020 . 1 . . . . 91 ARG H . 18994 1 995 . 1 1 91 91 ARG HA H 1 4.721 0.020 . 1 . . . . 91 ARG HA . 18994 1 996 . 1 1 91 91 ARG HB2 H 1 1.848 0.020 . 2 . . . . 91 ARG HB2 . 18994 1 997 . 1 1 91 91 ARG HB3 H 1 1.604 0.020 . 2 . . . . 91 ARG HB3 . 18994 1 998 . 1 1 91 91 ARG HG2 H 1 1.634 0.020 . 2 . . . . 91 ARG HG2 . 18994 1 999 . 1 1 91 91 ARG HG3 H 1 1.634 0.020 . 2 . . . . 91 ARG HG3 . 18994 1 1000 . 1 1 91 91 ARG HD2 H 1 3.259 0.020 . 2 . . . . 91 ARG HD2 . 18994 1 1001 . 1 1 91 91 ARG HD3 H 1 3.259 0.020 . 2 . . . . 91 ARG HD3 . 18994 1 1002 . 1 1 91 91 ARG C C 13 174.392 0.400 . 1 . . . . 91 ARG C . 18994 1 1003 . 1 1 91 91 ARG CA C 13 54.543 0.400 . 1 . . . . 91 ARG CA . 18994 1 1004 . 1 1 91 91 ARG CB C 13 34.078 0.400 . 1 . . . . 91 ARG CB . 18994 1 1005 . 1 1 91 91 ARG CG C 13 27.983 0.400 . 1 . . . . 91 ARG CG . 18994 1 1006 . 1 1 91 91 ARG CD C 13 43.314 0.400 . 1 . . . . 91 ARG CD . 18994 1 1007 . 1 1 91 91 ARG N N 15 118.134 0.400 . 1 . . . . 91 ARG N . 18994 1 1008 . 1 1 92 92 GLU H H 1 8.200 0.020 . 1 . . . . 92 GLU H . 18994 1 1009 . 1 1 92 92 GLU HA H 1 4.540 0.020 . 1 . . . . 92 GLU HA . 18994 1 1010 . 1 1 92 92 GLU HB2 H 1 2.099 0.020 . 2 . . . . 92 GLU HB2 . 18994 1 1011 . 1 1 92 92 GLU HB3 H 1 2.099 0.020 . 2 . . . . 92 GLU HB3 . 18994 1 1012 . 1 1 92 92 GLU HG2 H 1 2.505 0.020 . 2 . . . . 92 GLU HG2 . 18994 1 1013 . 1 1 92 92 GLU HG3 H 1 2.505 0.020 . 2 . . . . 92 GLU HG3 . 18994 1 1014 . 1 1 92 92 GLU C C 13 176.671 0.400 . 1 . . . . 92 GLU C . 18994 1 1015 . 1 1 92 92 GLU CA C 13 56.192 0.400 . 1 . . . . 92 GLU CA . 18994 1 1016 . 1 1 92 92 GLU CB C 13 30.248 0.400 . 1 . . . . 92 GLU CB . 18994 1 1017 . 1 1 92 92 GLU CG C 13 36.939 0.400 . 1 . . . . 92 GLU CG . 18994 1 1018 . 1 1 92 92 GLU N N 15 117.875 0.400 . 1 . . . . 92 GLU N . 18994 1 1019 . 1 1 93 93 PHE H H 1 8.459 0.020 . 1 . . . . 93 PHE H . 18994 1 1020 . 1 1 93 93 PHE HA H 1 4.806 0.020 . 1 . . . . 93 PHE HA . 18994 1 1021 . 1 1 93 93 PHE HB2 H 1 3.091 0.020 . 2 . . . . 93 PHE HB2 . 18994 1 1022 . 1 1 93 93 PHE HB3 H 1 2.385 0.020 . 2 . . . . 93 PHE HB3 . 18994 1 1023 . 1 1 93 93 PHE HD1 H 1 7.026 0.020 . 1 . . . . 93 PHE HD1 . 18994 1 1024 . 1 1 93 93 PHE HD2 H 1 7.026 0.020 . 1 . . . . 93 PHE HD2 . 18994 1 1025 . 1 1 93 93 PHE HE1 H 1 7.202 0.020 . 1 . . . . 93 PHE HE1 . 18994 1 1026 . 1 1 93 93 PHE HE2 H 1 7.202 0.020 . 1 . . . . 93 PHE HE2 . 18994 1 1027 . 1 1 93 93 PHE C C 13 171.254 0.400 . 1 . . . . 93 PHE C . 18994 1 1028 . 1 1 93 93 PHE CA C 13 57.953 0.400 . 1 . . . . 93 PHE CA . 18994 1 1029 . 1 1 93 93 PHE CB C 13 44.032 0.400 . 1 . . . . 93 PHE CB . 18994 1 1030 . 1 1 93 93 PHE N N 15 123.846 0.400 . 1 . . . . 93 PHE N . 18994 1 1031 . 1 1 94 94 LYS H H 1 7.225 0.020 . 1 . . . . 94 LYS H . 18994 1 1032 . 1 1 94 94 LYS HA H 1 5.371 0.020 . 1 . . . . 94 LYS HA . 18994 1 1033 . 1 1 94 94 LYS HB2 H 1 1.670 0.020 . 2 . . . . 94 LYS HB2 . 18994 1 1034 . 1 1 94 94 LYS HB3 H 1 1.527 0.020 . 2 . . . . 94 LYS HB3 . 18994 1 1035 . 1 1 94 94 LYS HG2 H 1 1.310 0.020 . 2 . . . . 94 LYS HG2 . 18994 1 1036 . 1 1 94 94 LYS HG3 H 1 1.136 0.020 . 2 . . . . 94 LYS HG3 . 18994 1 1037 . 1 1 94 94 LYS HD2 H 1 1.547 0.020 . 2 . . . . 94 LYS HD2 . 18994 1 1038 . 1 1 94 94 LYS HD3 H 1 1.547 0.020 . 2 . . . . 94 LYS HD3 . 18994 1 1039 . 1 1 94 94 LYS HE2 H 1 2.886 0.020 . 2 . . . . 94 LYS HE2 . 18994 1 1040 . 1 1 94 94 LYS HE3 H 1 2.886 0.020 . 2 . . . . 94 LYS HE3 . 18994 1 1041 . 1 1 94 94 LYS C C 13 174.849 0.400 . 1 . . . . 94 LYS C . 18994 1 1042 . 1 1 94 94 LYS CA C 13 54.141 0.400 . 1 . . . . 94 LYS CA . 18994 1 1043 . 1 1 94 94 LYS CB C 13 35.831 0.400 . 1 . . . . 94 LYS CB . 18994 1 1044 . 1 1 94 94 LYS CG C 13 23.507 0.400 . 1 . . . . 94 LYS CG . 18994 1 1045 . 1 1 94 94 LYS CD C 13 29.464 0.400 . 1 . . . . 94 LYS CD . 18994 1 1046 . 1 1 94 94 LYS CE C 13 41.361 0.400 . 1 . . . . 94 LYS CE . 18994 1 1047 . 1 1 94 94 LYS N N 15 127.256 0.400 . 1 . . . . 94 LYS N . 18994 1 1048 . 1 1 95 95 THR H H 1 8.643 0.020 . 1 . . . . 95 THR H . 18994 1 1049 . 1 1 95 95 THR HA H 1 4.360 0.020 . 1 . . . . 95 THR HA . 18994 1 1050 . 1 1 95 95 THR HB H 1 3.701 0.020 . 1 . . . . 95 THR HB . 18994 1 1051 . 1 1 95 95 THR HG21 H 1 0.920 0.020 . 1 . . . . 95 THR HG2 . 18994 1 1052 . 1 1 95 95 THR HG22 H 1 0.920 0.020 . 1 . . . . 95 THR HG2 . 18994 1 1053 . 1 1 95 95 THR HG23 H 1 0.920 0.020 . 1 . . . . 95 THR HG2 . 18994 1 1054 . 1 1 95 95 THR C C 13 170.838 0.400 . 1 . . . . 95 THR C . 18994 1 1055 . 1 1 95 95 THR CA C 13 61.327 0.400 . 1 . . . . 95 THR CA . 18994 1 1056 . 1 1 95 95 THR CB C 13 68.474 0.400 . 1 . . . . 95 THR CB . 18994 1 1057 . 1 1 95 95 THR CG2 C 13 20.053 0.400 . 1 . . . . 95 THR CG2 . 18994 1 1058 . 1 1 95 95 THR N N 15 117.583 0.400 . 1 . . . . 95 THR N . 18994 1 1059 . 1 1 96 96 GLU H H 1 7.739 0.020 . 1 . . . . 96 GLU H . 18994 1 1060 . 1 1 96 96 GLU HA H 1 5.718 0.020 . 1 . . . . 96 GLU HA . 18994 1 1061 . 1 1 96 96 GLU HB2 H 1 1.909 0.020 . 2 . . . . 96 GLU HB2 . 18994 1 1062 . 1 1 96 96 GLU HB3 H 1 1.909 0.020 . 2 . . . . 96 GLU HB3 . 18994 1 1063 . 1 1 96 96 GLU HG2 H 1 2.131 0.020 . 2 . . . . 96 GLU HG2 . 18994 1 1064 . 1 1 96 96 GLU HG3 H 1 2.131 0.020 . 2 . . . . 96 GLU HG3 . 18994 1 1065 . 1 1 96 96 GLU C C 13 175.599 0.400 . 1 . . . . 96 GLU C . 18994 1 1066 . 1 1 96 96 GLU CA C 13 54.301 0.400 . 1 . . . . 96 GLU CA . 18994 1 1067 . 1 1 96 96 GLU CB C 13 32.285 0.400 . 1 . . . . 96 GLU CB . 18994 1 1068 . 1 1 96 96 GLU CG C 13 36.320 0.400 . 1 . . . . 96 GLU CG . 18994 1 1069 . 1 1 96 96 GLU N N 15 120.967 0.400 . 1 . . . . 96 GLU N . 18994 1 1070 . 1 1 97 97 LEU H H 1 8.973 0.020 . 1 . . . . 97 LEU H . 18994 1 1071 . 1 1 97 97 LEU HA H 1 4.487 0.020 . 1 . . . . 97 LEU HA . 18994 1 1072 . 1 1 97 97 LEU HB2 H 1 1.570 0.020 . 2 . . . . 97 LEU HB2 . 18994 1 1073 . 1 1 97 97 LEU HB3 H 1 1.570 0.020 . 2 . . . . 97 LEU HB3 . 18994 1 1074 . 1 1 97 97 LEU HG H 1 0.351 0.020 . 1 . . . . 97 LEU HG . 18994 1 1075 . 1 1 97 97 LEU HD11 H 1 0.252 0.020 . 2 . . . . 97 LEU HD1 . 18994 1 1076 . 1 1 97 97 LEU HD12 H 1 0.252 0.020 . 2 . . . . 97 LEU HD1 . 18994 1 1077 . 1 1 97 97 LEU HD13 H 1 0.252 0.020 . 2 . . . . 97 LEU HD1 . 18994 1 1078 . 1 1 97 97 LEU HD21 H 1 0.252 0.020 . 2 . . . . 97 LEU HD2 . 18994 1 1079 . 1 1 97 97 LEU HD22 H 1 0.252 0.020 . 2 . . . . 97 LEU HD2 . 18994 1 1080 . 1 1 97 97 LEU HD23 H 1 0.252 0.020 . 2 . . . . 97 LEU HD2 . 18994 1 1081 . 1 1 97 97 LEU C C 13 171.987 0.400 . 1 . . . . 97 LEU C . 18994 1 1082 . 1 1 97 97 LEU CA C 13 55.294 0.400 . 1 . . . . 97 LEU CA . 18994 1 1083 . 1 1 97 97 LEU CB C 13 43.181 0.400 . 1 . . . . 97 LEU CB . 18994 1 1084 . 1 1 97 97 LEU CG C 13 27.390 0.400 . 1 . . . . 97 LEU CG . 18994 1 1085 . 1 1 97 97 LEU CD1 C 13 24.362 0.400 . 1 . . . . 97 LEU CD1 . 18994 1 1086 . 1 1 97 97 LEU CD2 C 13 20.706 0.400 . 1 . . . . 97 LEU CD2 . 18994 1 1087 . 1 1 97 97 LEU N N 15 123.540 0.400 . 1 . . . . 97 LEU N . 18994 1 1088 . 1 1 98 98 VAL H H 1 7.716 0.020 . 1 . . . . 98 VAL H . 18994 1 1089 . 1 1 98 98 VAL HA H 1 3.545 0.020 . 1 . . . . 98 VAL HA . 18994 1 1090 . 1 1 98 98 VAL HB H 1 1.054 0.020 . 1 . . . . 98 VAL HB . 18994 1 1091 . 1 1 98 98 VAL HG11 H 1 0.108 0.020 . 2 . . . . 98 VAL HG1 . 18994 1 1092 . 1 1 98 98 VAL HG12 H 1 0.108 0.020 . 2 . . . . 98 VAL HG1 . 18994 1 1093 . 1 1 98 98 VAL HG13 H 1 0.108 0.020 . 2 . . . . 98 VAL HG1 . 18994 1 1094 . 1 1 98 98 VAL HG21 H 1 -0.560 0.020 . 2 . . . . 98 VAL HG2 . 18994 1 1095 . 1 1 98 98 VAL HG22 H 1 -0.560 0.020 . 2 . . . . 98 VAL HG2 . 18994 1 1096 . 1 1 98 98 VAL HG23 H 1 -0.560 0.020 . 2 . . . . 98 VAL HG2 . 18994 1 1097 . 1 1 98 98 VAL C C 13 173.853 0.400 . 1 . . . . 98 VAL C . 18994 1 1098 . 1 1 98 98 VAL CA C 13 62.124 0.400 . 1 . . . . 98 VAL CA . 18994 1 1099 . 1 1 98 98 VAL CB C 13 31.248 0.400 . 1 . . . . 98 VAL CB . 18994 1 1100 . 1 1 98 98 VAL CG1 C 13 21.659 0.400 . 1 . . . . 98 VAL CG1 . 18994 1 1101 . 1 1 98 98 VAL CG2 C 13 19.760 0.400 . 1 . . . . 98 VAL CG2 . 18994 1 1102 . 1 1 98 98 VAL N N 15 119.860 0.400 . 1 . . . . 98 VAL N . 18994 1 1103 . 1 1 99 99 PHE H H 1 8.123 0.020 . 1 . . . . 99 PHE H . 18994 1 1104 . 1 1 99 99 PHE HA H 1 5.363 0.020 . 1 . . . . 99 PHE HA . 18994 1 1105 . 1 1 99 99 PHE HB2 H 1 2.982 0.020 . 2 . . . . 99 PHE HB2 . 18994 1 1106 . 1 1 99 99 PHE HB3 H 1 1.741 0.020 . 2 . . . . 99 PHE HB3 . 18994 1 1107 . 1 1 99 99 PHE HD1 H 1 7.252 0.020 . 1 . . . . 99 PHE HD1 . 18994 1 1108 . 1 1 99 99 PHE HD2 H 1 7.252 0.020 . 1 . . . . 99 PHE HD2 . 18994 1 1109 . 1 1 99 99 PHE C C 13 173.766 0.400 . 1 . . . . 99 PHE C . 18994 1 1110 . 1 1 99 99 PHE CA C 13 51.206 0.400 . 1 . . . . 99 PHE CA . 18994 1 1111 . 1 1 99 99 PHE CB C 13 45.268 0.400 . 1 . . . . 99 PHE CB . 18994 1 1112 . 1 1 99 99 PHE N N 15 127.379 0.400 . 1 . . . . 99 PHE N . 18994 1 1113 . 1 1 100 100 TYR H H 1 9.076 0.020 . 1 . . . . 100 TYR H . 18994 1 1114 . 1 1 100 100 TYR HA H 1 4.920 0.020 . 1 . . . . 100 TYR HA . 18994 1 1115 . 1 1 100 100 TYR HB2 H 1 2.594 0.020 . 2 . . . . 100 TYR HB2 . 18994 1 1116 . 1 1 100 100 TYR HB3 H 1 2.481 0.020 . 2 . . . . 100 TYR HB3 . 18994 1 1117 . 1 1 100 100 TYR HD1 H 1 7.132 0.020 . 1 . . . . 100 TYR HD1 . 18994 1 1118 . 1 1 100 100 TYR HD2 H 1 7.132 0.020 . 1 . . . . 100 TYR HD2 . 18994 1 1119 . 1 1 100 100 TYR HE1 H 1 6.542 0.020 . 1 . . . . 100 TYR HE1 . 18994 1 1120 . 1 1 100 100 TYR HE2 H 1 6.542 0.020 . 1 . . . . 100 TYR HE2 . 18994 1 1121 . 1 1 100 100 TYR C C 13 177.047 0.400 . 1 . . . . 100 TYR C . 18994 1 1122 . 1 1 100 100 TYR CA C 13 57.401 0.400 . 1 . . . . 100 TYR CA . 18994 1 1123 . 1 1 100 100 TYR CB C 13 40.284 0.400 . 1 . . . . 100 TYR CB . 18994 1 1124 . 1 1 100 100 TYR CE2 C 13 117.208 0.400 . 1 . . . . 100 TYR CE2 . 18994 1 1125 . 1 1 100 100 TYR N N 15 116.293 0.400 . 1 . . . . 100 TYR N . 18994 1 1126 . 1 1 101 101 LYS H H 1 8.998 0.020 . 1 . . . . 101 LYS H . 18994 1 1127 . 1 1 101 101 LYS HA H 1 4.411 0.020 . 1 . . . . 101 LYS HA . 18994 1 1128 . 1 1 101 101 LYS HG2 H 1 1.654 0.020 . 2 . . . . 101 LYS HG2 . 18994 1 1129 . 1 1 101 101 LYS HG3 H 1 1.654 0.020 . 2 . . . . 101 LYS HG3 . 18994 1 1130 . 1 1 101 101 LYS HD2 H 1 1.269 0.020 . 2 . . . . 101 LYS HD2 . 18994 1 1131 . 1 1 101 101 LYS HD3 H 1 1.269 0.020 . 2 . . . . 101 LYS HD3 . 18994 1 1132 . 1 1 101 101 LYS HE2 H 1 2.864 0.020 . 2 . . . . 101 LYS HE2 . 18994 1 1133 . 1 1 101 101 LYS HE3 H 1 2.864 0.020 . 2 . . . . 101 LYS HE3 . 18994 1 1134 . 1 1 101 101 LYS C C 13 177.167 0.400 . 1 . . . . 101 LYS C . 18994 1 1135 . 1 1 101 101 LYS CA C 13 56.292 0.400 . 1 . . . . 101 LYS CA . 18994 1 1136 . 1 1 101 101 LYS CB C 13 34.514 0.400 . 1 . . . . 101 LYS CB . 18994 1 1137 . 1 1 101 101 LYS N N 15 121.770 0.400 . 1 . . . . 101 LYS N . 18994 1 1138 . 1 1 102 102 LYS H H 1 8.664 0.020 . 1 . . . . 102 LYS H . 18994 1 1139 . 1 1 102 102 LYS HA H 1 3.914 0.020 . 1 . . . . 102 LYS HA . 18994 1 1140 . 1 1 102 102 LYS HB2 H 1 2.275 0.020 . 2 . . . . 102 LYS HB2 . 18994 1 1141 . 1 1 102 102 LYS HB3 H 1 2.275 0.020 . 2 . . . . 102 LYS HB3 . 18994 1 1142 . 1 1 102 102 LYS HD2 H 1 1.967 0.020 . 2 . . . . 102 LYS HD2 . 18994 1 1143 . 1 1 102 102 LYS HD3 H 1 1.967 0.020 . 2 . . . . 102 LYS HD3 . 18994 1 1144 . 1 1 102 102 LYS C C 13 176.141 0.400 . 1 . . . . 102 LYS C . 18994 1 1145 . 1 1 102 102 LYS CA C 13 59.338 0.400 . 1 . . . . 102 LYS CA . 18994 1 1146 . 1 1 102 102 LYS CB C 13 31.114 0.400 . 1 . . . . 102 LYS CB . 18994 1 1147 . 1 1 102 102 LYS N N 15 122.568 0.400 . 1 . . . . 102 LYS N . 18994 1 1148 . 1 1 103 103 GLY H H 1 8.591 0.020 . 1 . . . . 103 GLY H . 18994 1 1149 . 1 1 103 103 GLY HA2 H 1 4.218 0.020 . 2 . . . . 103 GLY HA2 . 18994 1 1150 . 1 1 103 103 GLY HA3 H 1 3.855 0.020 . 2 . . . . 103 GLY HA3 . 18994 1 1151 . 1 1 103 103 GLY C C 13 175.784 0.400 . 1 . . . . 103 GLY C . 18994 1 1152 . 1 1 103 103 GLY CA C 13 45.438 0.400 . 1 . . . . 103 GLY CA . 18994 1 1153 . 1 1 103 103 GLY N N 15 112.842 0.400 . 1 . . . . 103 GLY N . 18994 1 1154 . 1 1 104 104 GLY H H 1 8.582 0.020 . 1 . . . . 104 GLY H . 18994 1 1155 . 1 1 104 104 GLY HA2 H 1 4.470 0.020 . 2 . . . . 104 GLY HA2 . 18994 1 1156 . 1 1 104 104 GLY HA3 H 1 3.942 0.020 . 2 . . . . 104 GLY HA3 . 18994 1 1157 . 1 1 104 104 GLY C C 13 174.671 0.400 . 1 . . . . 104 GLY C . 18994 1 1158 . 1 1 104 104 GLY CA C 13 45.838 0.400 . 1 . . . . 104 GLY CA . 18994 1 1159 . 1 1 104 104 GLY N N 15 107.948 0.400 . 1 . . . . 104 GLY N . 18994 1 1160 . 1 1 105 105 THR H H 1 7.445 0.020 . 1 . . . . 105 THR H . 18994 1 1161 . 1 1 105 105 THR HA H 1 4.297 0.020 . 1 . . . . 105 THR HA . 18994 1 1162 . 1 1 105 105 THR HB H 1 4.023 0.020 . 1 . . . . 105 THR HB . 18994 1 1163 . 1 1 105 105 THR HG21 H 1 1.304 0.020 . 1 . . . . 105 THR HG2 . 18994 1 1164 . 1 1 105 105 THR HG22 H 1 1.304 0.020 . 1 . . . . 105 THR HG2 . 18994 1 1165 . 1 1 105 105 THR HG23 H 1 1.304 0.020 . 1 . . . . 105 THR HG2 . 18994 1 1166 . 1 1 105 105 THR C C 13 173.504 0.400 . 1 . . . . 105 THR C . 18994 1 1167 . 1 1 105 105 THR CA C 13 63.283 0.400 . 1 . . . . 105 THR CA . 18994 1 1168 . 1 1 105 105 THR CB C 13 69.516 0.400 . 1 . . . . 105 THR CB . 18994 1 1169 . 1 1 105 105 THR CG2 C 13 21.947 0.400 . 1 . . . . 105 THR CG2 . 18994 1 1170 . 1 1 105 105 THR N N 15 115.493 0.400 . 1 . . . . 105 THR N . 18994 1 1171 . 1 1 106 106 GLN H H 1 8.704 0.020 . 1 . . . . 106 GLN H . 18994 1 1172 . 1 1 106 106 GLN HA H 1 4.610 0.020 . 1 . . . . 106 GLN HA . 18994 1 1173 . 1 1 106 106 GLN HB2 H 1 1.488 0.020 . 2 . . . . 106 GLN HB2 . 18994 1 1174 . 1 1 106 106 GLN HB3 H 1 1.488 0.020 . 2 . . . . 106 GLN HB3 . 18994 1 1175 . 1 1 106 106 GLN HG2 H 1 1.754 0.020 . 2 . . . . 106 GLN HG2 . 18994 1 1176 . 1 1 106 106 GLN HG3 H 1 1.754 0.020 . 2 . . . . 106 GLN HG3 . 18994 1 1177 . 1 1 106 106 GLN HE21 H 1 6.931 0.020 . 2 . . . . 106 GLN HE21 . 18994 1 1178 . 1 1 106 106 GLN HE22 H 1 6.889 0.020 . 2 . . . . 106 GLN HE22 . 18994 1 1179 . 1 1 106 106 GLN C C 13 175.797 0.400 . 1 . . . . 106 GLN C . 18994 1 1180 . 1 1 106 106 GLN CA C 13 55.093 0.400 . 1 . . . . 106 GLN CA . 18994 1 1181 . 1 1 106 106 GLN CB C 13 30.858 0.400 . 1 . . . . 106 GLN CB . 18994 1 1182 . 1 1 106 106 GLN CG C 13 33.739 0.400 . 1 . . . . 106 GLN CG . 18994 1 1183 . 1 1 106 106 GLN N N 15 125.808 0.400 . 1 . . . . 106 GLN N . 18994 1 1184 . 1 1 106 106 GLN NE2 N 15 111.335 0.400 . 1 . . . . 106 GLN NE2 . 18994 1 1185 . 1 1 107 107 PHE H H 1 9.207 0.020 . 1 . . . . 107 PHE H . 18994 1 1186 . 1 1 107 107 PHE HA H 1 4.867 0.020 . 1 . . . . 107 PHE HA . 18994 1 1187 . 1 1 107 107 PHE HB2 H 1 3.031 0.020 . 2 . . . . 107 PHE HB2 . 18994 1 1188 . 1 1 107 107 PHE HB3 H 1 2.939 0.020 . 2 . . . . 107 PHE HB3 . 18994 1 1189 . 1 1 107 107 PHE HE1 H 1 7.093 0.020 . 1 . . . . 107 PHE HE1 . 18994 1 1190 . 1 1 107 107 PHE HE2 H 1 7.093 0.020 . 1 . . . . 107 PHE HE2 . 18994 1 1191 . 1 1 107 107 PHE C C 13 172.760 0.400 . 1 . . . . 107 PHE C . 18994 1 1192 . 1 1 107 107 PHE CA C 13 56.325 0.400 . 1 . . . . 107 PHE CA . 18994 1 1193 . 1 1 107 107 PHE CB C 13 41.147 0.400 . 1 . . . . 107 PHE CB . 18994 1 1194 . 1 1 107 107 PHE N N 15 119.843 0.400 . 1 . . . . 107 PHE N . 18994 1 1195 . 1 1 108 108 TRP H H 1 8.697 0.020 . 1 . . . . 108 TRP H . 18994 1 1196 . 1 1 108 108 TRP HA H 1 4.375 0.020 . 1 . . . . 108 TRP HA . 18994 1 1197 . 1 1 108 108 TRP HB2 H 1 2.759 0.020 . 2 . . . . 108 TRP HB2 . 18994 1 1198 . 1 1 108 108 TRP HB3 H 1 2.759 0.020 . 2 . . . . 108 TRP HB3 . 18994 1 1199 . 1 1 108 108 TRP HD1 H 1 7.124 0.020 . 1 . . . . 108 TRP HD1 . 18994 1 1200 . 1 1 108 108 TRP HE1 H 1 10.212 0.020 . 1 . . . . 108 TRP HE1 . 18994 1 1201 . 1 1 108 108 TRP HE3 H 1 7.346 0.020 . 1 . . . . 108 TRP HE3 . 18994 1 1202 . 1 1 108 108 TRP HZ2 H 1 7.066 0.020 . 1 . . . . 108 TRP HZ2 . 18994 1 1203 . 1 1 108 108 TRP HH2 H 1 7.153 0.020 . 1 . . . . 108 TRP HH2 . 18994 1 1204 . 1 1 108 108 TRP C C 13 174.551 0.400 . 1 . . . . 108 TRP C . 18994 1 1205 . 1 1 108 108 TRP CA C 13 57.870 0.400 . 1 . . . . 108 TRP CA . 18994 1 1206 . 1 1 108 108 TRP CB C 13 30.659 0.400 . 1 . . . . 108 TRP CB . 18994 1 1207 . 1 1 108 108 TRP CD1 C 13 125.174 0.400 . 1 . . . . 108 TRP CD1 . 18994 1 1208 . 1 1 108 108 TRP CE3 C 13 114.981 0.400 . 1 . . . . 108 TRP CE3 . 18994 1 1209 . 1 1 108 108 TRP CZ2 C 13 114.882 0.400 . 1 . . . . 108 TRP CZ2 . 18994 1 1210 . 1 1 108 108 TRP CH2 C 13 125.687 0.400 . 1 . . . . 108 TRP CH2 . 18994 1 1211 . 1 1 108 108 TRP N N 15 122.503 0.400 . 1 . . . . 108 TRP N . 18994 1 1212 . 1 1 108 108 TRP NE1 N 15 128.977 0.400 . 1 . . . . 108 TRP NE1 . 18994 1 1213 . 1 1 109 109 CYS H H 1 9.406 0.020 . 1 . . . . 109 CYS H . 18994 1 1214 . 1 1 109 109 CYS HA H 1 5.501 0.020 . 1 . . . . 109 CYS HA . 18994 1 1215 . 1 1 109 109 CYS HB2 H 1 2.604 0.020 . 2 . . . . 109 CYS HB2 . 18994 1 1216 . 1 1 109 109 CYS HB3 H 1 2.412 0.020 . 2 . . . . 109 CYS HB3 . 18994 1 1217 . 1 1 109 109 CYS C C 13 173.532 0.400 . 1 . . . . 109 CYS C . 18994 1 1218 . 1 1 109 109 CYS CA C 13 55.569 0.400 . 1 . . . . 109 CYS CA . 18994 1 1219 . 1 1 109 109 CYS CB C 13 31.180 0.400 . 1 . . . . 109 CYS CB . 18994 1 1220 . 1 1 109 109 CYS N N 15 125.300 0.400 . 1 . . . . 109 CYS N . 18994 1 1221 . 1 1 110 110 LEU H H 1 9.400 0.020 . 1 . . . . 110 LEU H . 18994 1 1222 . 1 1 110 110 LEU HA H 1 4.886 0.020 . 1 . . . . 110 LEU HA . 18994 1 1223 . 1 1 110 110 LEU HB2 H 1 2.031 0.020 . 2 . . . . 110 LEU HB2 . 18994 1 1224 . 1 1 110 110 LEU HB3 H 1 1.474 0.020 . 2 . . . . 110 LEU HB3 . 18994 1 1225 . 1 1 110 110 LEU HD11 H 1 0.890 0.020 . 2 . . . . 110 LEU HD1 . 18994 1 1226 . 1 1 110 110 LEU HD12 H 1 0.890 0.020 . 2 . . . . 110 LEU HD1 . 18994 1 1227 . 1 1 110 110 LEU HD13 H 1 0.890 0.020 . 2 . . . . 110 LEU HD1 . 18994 1 1228 . 1 1 110 110 LEU HD21 H 1 0.890 0.020 . 2 . . . . 110 LEU HD2 . 18994 1 1229 . 1 1 110 110 LEU HD22 H 1 0.890 0.020 . 2 . . . . 110 LEU HD2 . 18994 1 1230 . 1 1 110 110 LEU HD23 H 1 0.890 0.020 . 2 . . . . 110 LEU HD2 . 18994 1 1231 . 1 1 110 110 LEU C C 13 174.219 0.400 . 1 . . . . 110 LEU C . 18994 1 1232 . 1 1 110 110 LEU CA C 13 54.497 0.400 . 1 . . . . 110 LEU CA . 18994 1 1233 . 1 1 110 110 LEU CB C 13 43.038 0.400 . 1 . . . . 110 LEU CB . 18994 1 1234 . 1 1 110 110 LEU CD1 C 13 25.788 0.400 . 1 . . . . 110 LEU CD1 . 18994 1 1235 . 1 1 110 110 LEU CD2 C 13 23.717 0.400 . 1 . . . . 110 LEU CD2 . 18994 1 1236 . 1 1 110 110 LEU N N 15 129.692 0.400 . 1 . . . . 110 LEU N . 18994 1 1237 . 1 1 111 111 LEU H H 1 9.027 0.020 . 1 . . . . 111 LEU H . 18994 1 1238 . 1 1 111 111 LEU HA H 1 5.039 0.020 . 1 . . . . 111 LEU HA . 18994 1 1239 . 1 1 111 111 LEU HB2 H 1 1.587 0.020 . 2 . . . . 111 LEU HB2 . 18994 1 1240 . 1 1 111 111 LEU HB3 H 1 1.175 0.020 . 2 . . . . 111 LEU HB3 . 18994 1 1241 . 1 1 111 111 LEU HG H 1 1.440 0.020 . 1 . . . . 111 LEU HG . 18994 1 1242 . 1 1 111 111 LEU HD11 H 1 0.681 0.020 . 2 . . . . 111 LEU HD1 . 18994 1 1243 . 1 1 111 111 LEU HD12 H 1 0.681 0.020 . 2 . . . . 111 LEU HD1 . 18994 1 1244 . 1 1 111 111 LEU HD13 H 1 0.681 0.020 . 2 . . . . 111 LEU HD1 . 18994 1 1245 . 1 1 111 111 LEU HD21 H 1 0.681 0.020 . 2 . . . . 111 LEU HD2 . 18994 1 1246 . 1 1 111 111 LEU HD22 H 1 0.681 0.020 . 2 . . . . 111 LEU HD2 . 18994 1 1247 . 1 1 111 111 LEU HD23 H 1 0.681 0.020 . 2 . . . . 111 LEU HD2 . 18994 1 1248 . 1 1 111 111 LEU C C 13 173.858 0.400 . 1 . . . . 111 LEU C . 18994 1 1249 . 1 1 111 111 LEU CA C 13 53.454 0.400 . 1 . . . . 111 LEU CA . 18994 1 1250 . 1 1 111 111 LEU CB C 13 45.807 0.400 . 1 . . . . 111 LEU CB . 18994 1 1251 . 1 1 111 111 LEU CG C 13 27.256 0.400 . 1 . . . . 111 LEU CG . 18994 1 1252 . 1 1 111 111 LEU CD1 C 13 25.368 0.400 . 1 . . . . 111 LEU CD1 . 18994 1 1253 . 1 1 111 111 LEU N N 15 134.636 0.400 . 1 . . . . 111 LEU N . 18994 1 1254 . 1 1 112 112 ASP H H 1 8.528 0.020 . 1 . . . . 112 ASP H . 18994 1 1255 . 1 1 112 112 ASP HA H 1 5.377 0.020 . 1 . . . . 112 ASP HA . 18994 1 1256 . 1 1 112 112 ASP HB2 H 1 2.597 0.020 . 2 . . . . 112 ASP HB2 . 18994 1 1257 . 1 1 112 112 ASP HB3 H 1 2.363 0.020 . 2 . . . . 112 ASP HB3 . 18994 1 1258 . 1 1 112 112 ASP C C 13 174.521 0.400 . 1 . . . . 112 ASP C . 18994 1 1259 . 1 1 112 112 ASP CA C 13 53.295 0.400 . 1 . . . . 112 ASP CA . 18994 1 1260 . 1 1 112 112 ASP CB C 13 44.787 0.400 . 1 . . . . 112 ASP CB . 18994 1 1261 . 1 1 112 112 ASP N N 15 125.447 0.400 . 1 . . . . 112 ASP N . 18994 1 1262 . 1 1 113 113 ILE H H 1 9.292 0.020 . 1 . . . . 113 ILE H . 18994 1 1263 . 1 1 113 113 ILE HA H 1 4.944 0.020 . 1 . . . . 113 ILE HA . 18994 1 1264 . 1 1 113 113 ILE HB H 1 1.964 0.020 . 1 . . . . 113 ILE HB . 18994 1 1265 . 1 1 113 113 ILE HG12 H 1 1.695 0.020 . 2 . . . . 113 ILE HG12 . 18994 1 1266 . 1 1 113 113 ILE HG13 H 1 1.695 0.020 . 2 . . . . 113 ILE HG13 . 18994 1 1267 . 1 1 113 113 ILE HG21 H 1 0.658 0.020 . 1 . . . . 113 ILE HG2 . 18994 1 1268 . 1 1 113 113 ILE HG22 H 1 0.658 0.020 . 1 . . . . 113 ILE HG2 . 18994 1 1269 . 1 1 113 113 ILE HG23 H 1 0.658 0.020 . 1 . . . . 113 ILE HG2 . 18994 1 1270 . 1 1 113 113 ILE HD11 H 1 0.840 0.020 . 1 . . . . 113 ILE HD1 . 18994 1 1271 . 1 1 113 113 ILE HD12 H 1 0.840 0.020 . 1 . . . . 113 ILE HD1 . 18994 1 1272 . 1 1 113 113 ILE HD13 H 1 0.840 0.020 . 1 . . . . 113 ILE HD1 . 18994 1 1273 . 1 1 113 113 ILE C C 13 175.767 0.400 . 1 . . . . 113 ILE C . 18994 1 1274 . 1 1 113 113 ILE CA C 13 61.117 0.400 . 1 . . . . 113 ILE CA . 18994 1 1275 . 1 1 113 113 ILE CB C 13 40.584 0.400 . 1 . . . . 113 ILE CB . 18994 1 1276 . 1 1 113 113 ILE CG1 C 13 28.112 0.400 . 1 . . . . 113 ILE CG1 . 18994 1 1277 . 1 1 113 113 ILE CG2 C 13 17.343 0.400 . 1 . . . . 113 ILE CG2 . 18994 1 1278 . 1 1 113 113 ILE CD1 C 13 15.122 0.400 . 1 . . . . 113 ILE CD1 . 18994 1 1279 . 1 1 113 113 ILE N N 15 123.542 0.400 . 1 . . . . 113 ILE N . 18994 1 1280 . 1 1 114 114 VAL H H 1 9.310 0.020 . 1 . . . . 114 VAL H . 18994 1 1281 . 1 1 114 114 VAL HA H 1 4.689 0.020 . 1 . . . . 114 VAL HA . 18994 1 1282 . 1 1 114 114 VAL HB H 1 2.001 0.020 . 1 . . . . 114 VAL HB . 18994 1 1283 . 1 1 114 114 VAL HG11 H 1 0.856 0.020 . 2 . . . . 114 VAL HG1 . 18994 1 1284 . 1 1 114 114 VAL HG12 H 1 0.856 0.020 . 2 . . . . 114 VAL HG1 . 18994 1 1285 . 1 1 114 114 VAL HG13 H 1 0.856 0.020 . 2 . . . . 114 VAL HG1 . 18994 1 1286 . 1 1 114 114 VAL HG21 H 1 0.856 0.020 . 2 . . . . 114 VAL HG2 . 18994 1 1287 . 1 1 114 114 VAL HG22 H 1 0.856 0.020 . 2 . . . . 114 VAL HG2 . 18994 1 1288 . 1 1 114 114 VAL HG23 H 1 0.856 0.020 . 2 . . . . 114 VAL HG2 . 18994 1 1289 . 1 1 114 114 VAL C C 13 174.343 0.400 . 1 . . . . 114 VAL C . 18994 1 1290 . 1 1 114 114 VAL CA C 13 59.214 0.400 . 1 . . . . 114 VAL CA . 18994 1 1291 . 1 1 114 114 VAL CB C 13 36.089 0.400 . 1 . . . . 114 VAL CB . 18994 1 1292 . 1 1 114 114 VAL CG1 C 13 20.868 0.400 . 1 . . . . 114 VAL CG1 . 18994 1 1293 . 1 1 114 114 VAL CG2 C 13 21.034 0.400 . 1 . . . . 114 VAL CG2 . 18994 1 1294 . 1 1 114 114 VAL N N 15 126.829 0.400 . 1 . . . . 114 VAL N . 18994 1 1295 . 1 1 115 115 PRO HA H 1 4.549 0.020 . 1 . . . . 115 PRO HA . 18994 1 1296 . 1 1 115 115 PRO HB2 H 1 2.043 0.020 . 2 . . . . 115 PRO HB2 . 18994 1 1297 . 1 1 115 115 PRO HB3 H 1 2.043 0.020 . 2 . . . . 115 PRO HB3 . 18994 1 1298 . 1 1 115 115 PRO HG2 H 1 1.928 0.020 . 2 . . . . 115 PRO HG2 . 18994 1 1299 . 1 1 115 115 PRO HG3 H 1 1.928 0.020 . 2 . . . . 115 PRO HG3 . 18994 1 1300 . 1 1 115 115 PRO HD2 H 1 3.413 0.020 . 2 . . . . 115 PRO HD2 . 18994 1 1301 . 1 1 115 115 PRO HD3 H 1 3.413 0.020 . 2 . . . . 115 PRO HD3 . 18994 1 1302 . 1 1 115 115 PRO C C 13 175.347 0.400 . 1 . . . . 115 PRO C . 18994 1 1303 . 1 1 115 115 PRO CA C 13 62.534 0.400 . 1 . . . . 115 PRO CA . 18994 1 1304 . 1 1 115 115 PRO CB C 13 32.576 0.400 . 1 . . . . 115 PRO CB . 18994 1 1305 . 1 1 115 115 PRO CG C 13 26.976 0.400 . 1 . . . . 115 PRO CG . 18994 1 1306 . 1 1 115 115 PRO CD C 13 49.404 0.400 . 1 . . . . 115 PRO CD . 18994 1 1307 . 1 1 116 116 ILE H H 1 9.012 0.020 . 1 . . . . 116 ILE H . 18994 1 1308 . 1 1 116 116 ILE HA H 1 4.296 0.020 . 1 . . . . 116 ILE HA . 18994 1 1309 . 1 1 116 116 ILE HB H 1 1.838 0.020 . 1 . . . . 116 ILE HB . 18994 1 1310 . 1 1 116 116 ILE HG21 H 1 0.895 0.020 . 1 . . . . 116 ILE HG2 . 18994 1 1311 . 1 1 116 116 ILE HG22 H 1 0.895 0.020 . 1 . . . . 116 ILE HG2 . 18994 1 1312 . 1 1 116 116 ILE HG23 H 1 0.895 0.020 . 1 . . . . 116 ILE HG2 . 18994 1 1313 . 1 1 116 116 ILE HD11 H 1 0.636 0.020 . 1 . . . . 116 ILE HD1 . 18994 1 1314 . 1 1 116 116 ILE HD12 H 1 0.636 0.020 . 1 . . . . 116 ILE HD1 . 18994 1 1315 . 1 1 116 116 ILE HD13 H 1 0.636 0.020 . 1 . . . . 116 ILE HD1 . 18994 1 1316 . 1 1 116 116 ILE C C 13 175.306 0.400 . 1 . . . . 116 ILE C . 18994 1 1317 . 1 1 116 116 ILE CA C 13 59.481 0.400 . 1 . . . . 116 ILE CA . 18994 1 1318 . 1 1 116 116 ILE CB C 13 37.877 0.400 . 1 . . . . 116 ILE CB . 18994 1 1319 . 1 1 116 116 ILE CG1 C 13 26.264 0.400 . 1 . . . . 116 ILE CG1 . 18994 1 1320 . 1 1 116 116 ILE CG2 C 13 17.036 0.400 . 1 . . . . 116 ILE CG2 . 18994 1 1321 . 1 1 116 116 ILE CD1 C 13 11.939 0.400 . 1 . . . . 116 ILE CD1 . 18994 1 1322 . 1 1 116 116 ILE N N 15 125.929 0.400 . 1 . . . . 116 ILE N . 18994 1 1323 . 1 1 117 117 LYS H H 1 8.652 0.020 . 1 . . . . 117 LYS H . 18994 1 1324 . 1 1 117 117 LYS HA H 1 5.313 0.020 . 1 . . . . 117 LYS HA . 18994 1 1325 . 1 1 117 117 LYS HG2 H 1 0.975 0.020 . 2 . . . . 117 LYS HG2 . 18994 1 1326 . 1 1 117 117 LYS HG3 H 1 0.975 0.020 . 2 . . . . 117 LYS HG3 . 18994 1 1327 . 1 1 117 117 LYS HD2 H 1 1.652 0.020 . 2 . . . . 117 LYS HD2 . 18994 1 1328 . 1 1 117 117 LYS HD3 H 1 1.652 0.020 . 2 . . . . 117 LYS HD3 . 18994 1 1329 . 1 1 117 117 LYS HE2 H 1 2.897 0.020 . 2 . . . . 117 LYS HE2 . 18994 1 1330 . 1 1 117 117 LYS HE3 H 1 2.897 0.020 . 2 . . . . 117 LYS HE3 . 18994 1 1331 . 1 1 117 117 LYS C C 13 177.161 0.400 . 1 . . . . 117 LYS C . 18994 1 1332 . 1 1 117 117 LYS CA C 13 54.777 0.400 . 1 . . . . 117 LYS CA . 18994 1 1333 . 1 1 117 117 LYS CB C 13 35.690 0.400 . 1 . . . . 117 LYS CB . 18994 1 1334 . 1 1 117 117 LYS CG C 13 27.175 0.400 . 1 . . . . 117 LYS CG . 18994 1 1335 . 1 1 117 117 LYS N N 15 127.019 0.400 . 1 . . . . 117 LYS N . 18994 1 1336 . 1 1 118 118 ASN H H 1 8.352 0.020 . 1 . . . . 118 ASN H . 18994 1 1337 . 1 1 118 118 ASN HA H 1 4.708 0.020 . 1 . . . . 118 ASN HA . 18994 1 1338 . 1 1 118 118 ASN HB2 H 1 3.330 0.020 . 2 . . . . 118 ASN HB2 . 18994 1 1339 . 1 1 118 118 ASN HB3 H 1 2.490 0.020 . 2 . . . . 118 ASN HB3 . 18994 1 1340 . 1 1 118 118 ASN C C 13 177.637 0.400 . 1 . . . . 118 ASN C . 18994 1 1341 . 1 1 118 118 ASN CA C 13 50.607 0.400 . 1 . . . . 118 ASN CA . 18994 1 1342 . 1 1 118 118 ASN CB C 13 38.617 0.400 . 1 . . . . 118 ASN CB . 18994 1 1343 . 1 1 118 118 ASN N N 15 117.450 0.400 . 1 . . . . 118 ASN N . 18994 1 1344 . 1 1 119 119 GLU H H 1 9.327 0.020 . 1 . . . . 119 GLU H . 18994 1 1345 . 1 1 119 119 GLU HA H 1 4.136 0.020 . 1 . . . . 119 GLU HA . 18994 1 1346 . 1 1 119 119 GLU HB2 H 1 2.085 0.020 . 2 . . . . 119 GLU HB2 . 18994 1 1347 . 1 1 119 119 GLU HB3 H 1 2.085 0.020 . 2 . . . . 119 GLU HB3 . 18994 1 1348 . 1 1 119 119 GLU HG2 H 1 2.373 0.020 . 2 . . . . 119 GLU HG2 . 18994 1 1349 . 1 1 119 119 GLU HG3 H 1 2.373 0.020 . 2 . . . . 119 GLU HG3 . 18994 1 1350 . 1 1 119 119 GLU C C 13 177.254 0.400 . 1 . . . . 119 GLU C . 18994 1 1351 . 1 1 119 119 GLU CA C 13 59.145 0.400 . 1 . . . . 119 GLU CA . 18994 1 1352 . 1 1 119 119 GLU CB C 13 28.359 0.400 . 1 . . . . 119 GLU CB . 18994 1 1353 . 1 1 119 119 GLU CG C 13 36.308 0.400 . 1 . . . . 119 GLU CG . 18994 1 1354 . 1 1 119 119 GLU N N 15 118.904 0.400 . 1 . . . . 119 GLU N . 18994 1 1355 . 1 1 120 120 LYS H H 1 7.346 0.020 . 1 . . . . 120 LYS H . 18994 1 1356 . 1 1 120 120 LYS HA H 1 4.383 0.020 . 1 . . . . 120 LYS HA . 18994 1 1357 . 1 1 120 120 LYS HB2 H 1 2.010 0.020 . 2 . . . . 120 LYS HB2 . 18994 1 1358 . 1 1 120 120 LYS HG2 H 1 1.649 0.020 . 2 . . . . 120 LYS HG2 . 18994 1 1359 . 1 1 120 120 LYS HG3 H 1 1.649 0.020 . 2 . . . . 120 LYS HG3 . 18994 1 1360 . 1 1 120 120 LYS HD2 H 1 1.384 0.020 . 2 . . . . 120 LYS HD2 . 18994 1 1361 . 1 1 120 120 LYS HD3 H 1 1.384 0.020 . 2 . . . . 120 LYS HD3 . 18994 1 1362 . 1 1 120 120 LYS HE2 H 1 2.954 0.020 . 2 . . . . 120 LYS HE2 . 18994 1 1363 . 1 1 120 120 LYS HE3 H 1 2.954 0.020 . 2 . . . . 120 LYS HE3 . 18994 1 1364 . 1 1 120 120 LYS C C 13 176.796 0.400 . 1 . . . . 120 LYS C . 18994 1 1365 . 1 1 120 120 LYS CA C 13 55.741 0.400 . 1 . . . . 120 LYS CA . 18994 1 1366 . 1 1 120 120 LYS CB C 13 32.618 0.400 . 1 . . . . 120 LYS CB . 18994 1 1367 . 1 1 120 120 LYS CG C 13 25.215 0.400 . 1 . . . . 120 LYS CG . 18994 1 1368 . 1 1 120 120 LYS CD C 13 29.055 0.400 . 1 . . . . 120 LYS CD . 18994 1 1369 . 1 1 120 120 LYS CE C 13 41.930 0.400 . 1 . . . . 120 LYS CE . 18994 1 1370 . 1 1 120 120 LYS N N 15 117.614 0.400 . 1 . . . . 120 LYS N . 18994 1 1371 . 1 1 121 121 GLY H H 1 8.028 0.020 . 1 . . . . 121 GLY H . 18994 1 1372 . 1 1 121 121 GLY HA2 H 1 4.272 0.020 . 2 . . . . 121 GLY HA2 . 18994 1 1373 . 1 1 121 121 GLY HA3 H 1 3.610 0.020 . 2 . . . . 121 GLY HA3 . 18994 1 1374 . 1 1 121 121 GLY C C 13 173.501 0.400 . 1 . . . . 121 GLY C . 18994 1 1375 . 1 1 121 121 GLY CA C 13 45.425 0.400 . 1 . . . . 121 GLY CA . 18994 1 1376 . 1 1 121 121 GLY N N 15 107.107 0.400 . 1 . . . . 121 GLY N . 18994 1 1377 . 1 1 122 122 GLU H H 1 7.752 0.020 . 1 . . . . 122 GLU H . 18994 1 1378 . 1 1 122 122 GLU HA H 1 4.290 0.020 . 1 . . . . 122 GLU HA . 18994 1 1379 . 1 1 122 122 GLU HB2 H 1 2.075 0.020 . 2 . . . . 122 GLU HB2 . 18994 1 1380 . 1 1 122 122 GLU HB3 H 1 1.792 0.020 . 2 . . . . 122 GLU HB3 . 18994 1 1381 . 1 1 122 122 GLU HG2 H 1 2.075 0.020 . 2 . . . . 122 GLU HG2 . 18994 1 1382 . 1 1 122 122 GLU HG3 H 1 2.075 0.020 . 2 . . . . 122 GLU HG3 . 18994 1 1383 . 1 1 122 122 GLU C C 13 176.484 0.400 . 1 . . . . 122 GLU C . 18994 1 1384 . 1 1 122 122 GLU CA C 13 54.583 0.400 . 1 . . . . 122 GLU CA . 18994 1 1385 . 1 1 122 122 GLU CB C 13 30.170 0.400 . 1 . . . . 122 GLU CB . 18994 1 1386 . 1 1 122 122 GLU CG C 13 36.021 0.400 . 1 . . . . 122 GLU CG . 18994 1 1387 . 1 1 122 122 GLU N N 15 120.774 0.400 . 1 . . . . 122 GLU N . 18994 1 1388 . 1 1 123 123 VAL H H 1 8.920 0.020 . 1 . . . . 123 VAL H . 18994 1 1389 . 1 1 123 123 VAL HA H 1 3.812 0.020 . 1 . . . . 123 VAL HA . 18994 1 1390 . 1 1 123 123 VAL HB H 1 1.871 0.020 . 1 . . . . 123 VAL HB . 18994 1 1391 . 1 1 123 123 VAL HG11 H 1 0.907 0.020 . 2 . . . . 123 VAL HG1 . 18994 1 1392 . 1 1 123 123 VAL HG12 H 1 0.907 0.020 . 2 . . . . 123 VAL HG1 . 18994 1 1393 . 1 1 123 123 VAL HG13 H 1 0.907 0.020 . 2 . . . . 123 VAL HG1 . 18994 1 1394 . 1 1 123 123 VAL HG21 H 1 0.314 0.020 . 2 . . . . 123 VAL HG2 . 18994 1 1395 . 1 1 123 123 VAL HG22 H 1 0.314 0.020 . 2 . . . . 123 VAL HG2 . 18994 1 1396 . 1 1 123 123 VAL HG23 H 1 0.314 0.020 . 2 . . . . 123 VAL HG2 . 18994 1 1397 . 1 1 123 123 VAL C C 13 175.798 0.400 . 1 . . . . 123 VAL C . 18994 1 1398 . 1 1 123 123 VAL CA C 13 63.964 0.400 . 1 . . . . 123 VAL CA . 18994 1 1399 . 1 1 123 123 VAL CB C 13 30.531 0.400 . 1 . . . . 123 VAL CB . 18994 1 1400 . 1 1 123 123 VAL CG1 C 13 22.867 0.400 . 1 . . . . 123 VAL CG1 . 18994 1 1401 . 1 1 123 123 VAL CG2 C 13 21.693 0.400 . 1 . . . . 123 VAL CG2 . 18994 1 1402 . 1 1 123 123 VAL N N 15 123.894 0.400 . 1 . . . . 123 VAL N . 18994 1 1403 . 1 1 124 124 VAL H H 1 8.416 0.020 . 1 . . . . 124 VAL H . 18994 1 1404 . 1 1 124 124 VAL HA H 1 4.402 0.020 . 1 . . . . 124 VAL HA . 18994 1 1405 . 1 1 124 124 VAL HB H 1 2.134 0.020 . 1 . . . . 124 VAL HB . 18994 1 1406 . 1 1 124 124 VAL HG11 H 1 0.823 0.020 . 2 . . . . 124 VAL HG1 . 18994 1 1407 . 1 1 124 124 VAL HG12 H 1 0.823 0.020 . 2 . . . . 124 VAL HG1 . 18994 1 1408 . 1 1 124 124 VAL HG13 H 1 0.823 0.020 . 2 . . . . 124 VAL HG1 . 18994 1 1409 . 1 1 124 124 VAL HG21 H 1 0.802 0.020 . 2 . . . . 124 VAL HG2 . 18994 1 1410 . 1 1 124 124 VAL HG22 H 1 0.802 0.020 . 2 . . . . 124 VAL HG2 . 18994 1 1411 . 1 1 124 124 VAL HG23 H 1 0.802 0.020 . 2 . . . . 124 VAL HG2 . 18994 1 1412 . 1 1 124 124 VAL C C 13 176.423 0.400 . 1 . . . . 124 VAL C . 18994 1 1413 . 1 1 124 124 VAL CA C 13 61.981 0.400 . 1 . . . . 124 VAL CA . 18994 1 1414 . 1 1 124 124 VAL CB C 13 33.503 0.400 . 1 . . . . 124 VAL CB . 18994 1 1415 . 1 1 124 124 VAL CG1 C 13 22.615 0.400 . 1 . . . . 124 VAL CG1 . 18994 1 1416 . 1 1 124 124 VAL CG2 C 13 18.876 0.400 . 1 . . . . 124 VAL CG2 . 18994 1 1417 . 1 1 124 124 VAL N N 15 120.217 0.400 . 1 . . . . 124 VAL N . 18994 1 1418 . 1 1 125 125 LEU H H 1 7.719 0.020 . 1 . . . . 125 LEU H . 18994 1 1419 . 1 1 125 125 LEU HA H 1 5.467 0.020 . 1 . . . . 125 LEU HA . 18994 1 1420 . 1 1 125 125 LEU HB2 H 1 1.463 0.020 . 2 . . . . 125 LEU HB2 . 18994 1 1421 . 1 1 125 125 LEU HB3 H 1 1.463 0.020 . 2 . . . . 125 LEU HB3 . 18994 1 1422 . 1 1 125 125 LEU HD11 H 1 0.998 0.020 . 2 . . . . 125 LEU HD1 . 18994 1 1423 . 1 1 125 125 LEU HD12 H 1 0.998 0.020 . 2 . . . . 125 LEU HD1 . 18994 1 1424 . 1 1 125 125 LEU HD13 H 1 0.998 0.020 . 2 . . . . 125 LEU HD1 . 18994 1 1425 . 1 1 125 125 LEU HD21 H 1 0.860 0.020 . 2 . . . . 125 LEU HD2 . 18994 1 1426 . 1 1 125 125 LEU HD22 H 1 0.860 0.020 . 2 . . . . 125 LEU HD2 . 18994 1 1427 . 1 1 125 125 LEU HD23 H 1 0.860 0.020 . 2 . . . . 125 LEU HD2 . 18994 1 1428 . 1 1 125 125 LEU C C 13 174.195 0.400 . 1 . . . . 125 LEU C . 18994 1 1429 . 1 1 125 125 LEU CA C 13 52.893 0.400 . 1 . . . . 125 LEU CA . 18994 1 1430 . 1 1 125 125 LEU CB C 13 49.372 0.400 . 1 . . . . 125 LEU CB . 18994 1 1431 . 1 1 125 125 LEU CG C 13 27.559 0.400 . 1 . . . . 125 LEU CG . 18994 1 1432 . 1 1 125 125 LEU CD1 C 13 24.224 0.400 . 1 . . . . 125 LEU CD1 . 18994 1 1433 . 1 1 125 125 LEU N N 15 121.140 0.400 . 1 . . . . 125 LEU N . 18994 1 1434 . 1 1 126 126 PHE H H 1 9.035 0.020 . 1 . . . . 126 PHE H . 18994 1 1435 . 1 1 126 126 PHE HA H 1 4.943 0.020 . 1 . . . . 126 PHE HA . 18994 1 1436 . 1 1 126 126 PHE HB2 H 1 2.528 0.020 . 2 . . . . 126 PHE HB2 . 18994 1 1437 . 1 1 126 126 PHE HB3 H 1 2.528 0.020 . 2 . . . . 126 PHE HB3 . 18994 1 1438 . 1 1 126 126 PHE HD1 H 1 6.627 0.020 . 1 . . . . 126 PHE HD1 . 18994 1 1439 . 1 1 126 126 PHE HD2 H 1 6.627 0.020 . 1 . . . . 126 PHE HD2 . 18994 1 1440 . 1 1 126 126 PHE HE1 H 1 7.280 0.020 . 1 . . . . 126 PHE HE1 . 18994 1 1441 . 1 1 126 126 PHE HE2 H 1 7.280 0.020 . 1 . . . . 126 PHE HE2 . 18994 1 1442 . 1 1 126 126 PHE C C 13 174.751 0.400 . 1 . . . . 126 PHE C . 18994 1 1443 . 1 1 126 126 PHE CA C 13 57.261 0.400 . 1 . . . . 126 PHE CA . 18994 1 1444 . 1 1 126 126 PHE CB C 13 42.112 0.400 . 1 . . . . 126 PHE CB . 18994 1 1445 . 1 1 126 126 PHE CD1 C 13 131.460 0.400 . 1 . . . . 126 PHE CD1 . 18994 1 1446 . 1 1 126 126 PHE N N 15 115.982 0.400 . 1 . . . . 126 PHE N . 18994 1 1447 . 1 1 127 127 LEU H H 1 8.960 0.020 . 1 . . . . 127 LEU H . 18994 1 1448 . 1 1 127 127 LEU HA H 1 4.774 0.020 . 1 . . . . 127 LEU HA . 18994 1 1449 . 1 1 127 127 LEU HB2 H 1 1.754 0.020 . 2 . . . . 127 LEU HB2 . 18994 1 1450 . 1 1 127 127 LEU HB3 H 1 0.864 0.020 . 2 . . . . 127 LEU HB3 . 18994 1 1451 . 1 1 127 127 LEU HG H 1 1.022 0.020 . 1 . . . . 127 LEU HG . 18994 1 1452 . 1 1 127 127 LEU HD11 H 1 -0.104 0.020 . 2 . . . . 127 LEU HD1 . 18994 1 1453 . 1 1 127 127 LEU HD12 H 1 -0.104 0.020 . 2 . . . . 127 LEU HD1 . 18994 1 1454 . 1 1 127 127 LEU HD13 H 1 -0.104 0.020 . 2 . . . . 127 LEU HD1 . 18994 1 1455 . 1 1 127 127 LEU HD21 H 1 -0.104 0.020 . 2 . . . . 127 LEU HD2 . 18994 1 1456 . 1 1 127 127 LEU HD22 H 1 -0.104 0.020 . 2 . . . . 127 LEU HD2 . 18994 1 1457 . 1 1 127 127 LEU HD23 H 1 -0.104 0.020 . 2 . . . . 127 LEU HD2 . 18994 1 1458 . 1 1 127 127 LEU C C 13 174.541 0.400 . 1 . . . . 127 LEU C . 18994 1 1459 . 1 1 127 127 LEU CA C 13 54.887 0.400 . 1 . . . . 127 LEU CA . 18994 1 1460 . 1 1 127 127 LEU CB C 13 42.550 0.400 . 1 . . . . 127 LEU CB . 18994 1 1461 . 1 1 127 127 LEU CD1 C 13 24.987 0.400 . 1 . . . . 127 LEU CD1 . 18994 1 1462 . 1 1 127 127 LEU N N 15 126.327 0.400 . 1 . . . . 127 LEU N . 18994 1 1463 . 1 1 128 128 VAL H H 1 8.701 0.020 . 1 . . . . 128 VAL H . 18994 1 1464 . 1 1 128 128 VAL HA H 1 5.036 0.020 . 1 . . . . 128 VAL HA . 18994 1 1465 . 1 1 128 128 VAL HB H 1 2.179 0.020 . 1 . . . . 128 VAL HB . 18994 1 1466 . 1 1 128 128 VAL HG11 H 1 0.877 0.020 . 2 . . . . 128 VAL HG1 . 18994 1 1467 . 1 1 128 128 VAL HG12 H 1 0.877 0.020 . 2 . . . . 128 VAL HG1 . 18994 1 1468 . 1 1 128 128 VAL HG13 H 1 0.877 0.020 . 2 . . . . 128 VAL HG1 . 18994 1 1469 . 1 1 128 128 VAL HG21 H 1 0.787 0.020 . 2 . . . . 128 VAL HG2 . 18994 1 1470 . 1 1 128 128 VAL HG22 H 1 0.787 0.020 . 2 . . . . 128 VAL HG2 . 18994 1 1471 . 1 1 128 128 VAL HG23 H 1 0.787 0.020 . 2 . . . . 128 VAL HG2 . 18994 1 1472 . 1 1 128 128 VAL C C 13 174.717 0.400 . 1 . . . . 128 VAL C . 18994 1 1473 . 1 1 128 128 VAL CA C 13 61.662 0.400 . 1 . . . . 128 VAL CA . 18994 1 1474 . 1 1 128 128 VAL CB C 13 32.441 0.400 . 1 . . . . 128 VAL CB . 18994 1 1475 . 1 1 128 128 VAL CG1 C 13 21.139 0.400 . 1 . . . . 128 VAL CG1 . 18994 1 1476 . 1 1 128 128 VAL CG2 C 13 19.713 0.400 . 1 . . . . 128 VAL CG2 . 18994 1 1477 . 1 1 128 128 VAL N N 15 129.202 0.400 . 1 . . . . 128 VAL N . 18994 1 1478 . 1 1 129 129 SER H H 1 9.411 0.020 . 1 . . . . 129 SER H . 18994 1 1479 . 1 1 129 129 SER HA H 1 5.673 0.020 . 1 . . . . 129 SER HA . 18994 1 1480 . 1 1 129 129 SER HB2 H 1 3.953 0.020 . 2 . . . . 129 SER HB2 . 18994 1 1481 . 1 1 129 129 SER HB3 H 1 3.662 0.020 . 2 . . . . 129 SER HB3 . 18994 1 1482 . 1 1 129 129 SER C C 13 173.995 0.400 . 1 . . . . 129 SER C . 18994 1 1483 . 1 1 129 129 SER CA C 13 57.066 0.400 . 1 . . . . 129 SER CA . 18994 1 1484 . 1 1 129 129 SER CB C 13 66.206 0.400 . 1 . . . . 129 SER CB . 18994 1 1485 . 1 1 129 129 SER N N 15 121.726 0.400 . 1 . . . . 129 SER N . 18994 1 1486 . 1 1 130 130 HIS H H 1 8.720 0.020 . 1 . . . . 130 HIS H . 18994 1 1487 . 1 1 130 130 HIS HA H 1 5.194 0.020 . 1 . . . . 130 HIS HA . 18994 1 1488 . 1 1 130 130 HIS HB2 H 1 3.082 0.020 . 2 . . . . 130 HIS HB2 . 18994 1 1489 . 1 1 130 130 HIS HB3 H 1 3.082 0.020 . 2 . . . . 130 HIS HB3 . 18994 1 1490 . 1 1 130 130 HIS C C 13 175.632 0.400 . 1 . . . . 130 HIS C . 18994 1 1491 . 1 1 130 130 HIS CA C 13 56.783 0.400 . 1 . . . . 130 HIS CA . 18994 1 1492 . 1 1 130 130 HIS CB C 13 35.998 0.400 . 1 . . . . 130 HIS CB . 18994 1 1493 . 1 1 130 130 HIS N N 15 120.471 0.400 . 1 . . . . 130 HIS N . 18994 1 1494 . 1 1 131 131 LYS H H 1 8.731 0.020 . 1 . . . . 131 LYS H . 18994 1 1495 . 1 1 131 131 LYS HA H 1 4.900 0.020 . 1 . . . . 131 LYS HA . 18994 1 1496 . 1 1 131 131 LYS HB2 H 1 2.022 0.020 . 2 . . . . 131 LYS HB2 . 18994 1 1497 . 1 1 131 131 LYS HB3 H 1 2.022 0.020 . 2 . . . . 131 LYS HB3 . 18994 1 1498 . 1 1 131 131 LYS HG2 H 1 1.663 0.020 . 2 . . . . 131 LYS HG2 . 18994 1 1499 . 1 1 131 131 LYS HG3 H 1 1.384 0.020 . 2 . . . . 131 LYS HG3 . 18994 1 1500 . 1 1 131 131 LYS HD2 H 1 1.436 0.020 . 2 . . . . 131 LYS HD2 . 18994 1 1501 . 1 1 131 131 LYS HD3 H 1 1.436 0.020 . 2 . . . . 131 LYS HD3 . 18994 1 1502 . 1 1 131 131 LYS HE2 H 1 3.061 0.020 . 2 . . . . 131 LYS HE2 . 18994 1 1503 . 1 1 131 131 LYS HE3 H 1 3.061 0.020 . 2 . . . . 131 LYS HE3 . 18994 1 1504 . 1 1 131 131 LYS C C 13 175.054 0.400 . 1 . . . . 131 LYS C . 18994 1 1505 . 1 1 131 131 LYS CA C 13 55.173 0.400 . 1 . . . . 131 LYS CA . 18994 1 1506 . 1 1 131 131 LYS CB C 13 35.958 0.400 . 1 . . . . 131 LYS CB . 18994 1 1507 . 1 1 131 131 LYS CG C 13 25.491 0.400 . 1 . . . . 131 LYS CG . 18994 1 1508 . 1 1 131 131 LYS CD C 13 29.777 0.400 . 1 . . . . 131 LYS CD . 18994 1 1509 . 1 1 131 131 LYS CE C 13 42.139 0.400 . 1 . . . . 131 LYS CE . 18994 1 1510 . 1 1 131 131 LYS N N 15 125.352 0.400 . 1 . . . . 131 LYS N . 18994 1 1511 . 1 1 132 132 ASP H H 1 9.365 0.020 . 1 . . . . 132 ASP H . 18994 1 1512 . 1 1 132 132 ASP HA H 1 5.380 0.020 . 1 . . . . 132 ASP HA . 18994 1 1513 . 1 1 132 132 ASP HB2 H 1 3.063 0.020 . 2 . . . . 132 ASP HB2 . 18994 1 1514 . 1 1 132 132 ASP HB3 H 1 2.435 0.020 . 2 . . . . 132 ASP HB3 . 18994 1 1515 . 1 1 132 132 ASP C C 13 177.656 0.400 . 1 . . . . 132 ASP C . 18994 1 1516 . 1 1 132 132 ASP CA C 13 54.442 0.400 . 1 . . . . 132 ASP CA . 18994 1 1517 . 1 1 132 132 ASP CB C 13 40.255 0.400 . 1 . . . . 132 ASP CB . 18994 1 1518 . 1 1 132 132 ASP N N 15 125.464 0.400 . 1 . . . . 132 ASP N . 18994 1 1519 . 1 1 133 133 ILE H H 1 8.942 0.020 . 1 . . . . 133 ILE H . 18994 1 1520 . 1 1 133 133 ILE HA H 1 4.815 0.020 . 1 . . . . 133 ILE HA . 18994 1 1521 . 1 1 133 133 ILE HB H 1 2.309 0.020 . 1 . . . . 133 ILE HB . 18994 1 1522 . 1 1 133 133 ILE HG12 H 1 1.177 0.020 . 2 . . . . 133 ILE HG12 . 18994 1 1523 . 1 1 133 133 ILE HG13 H 1 1.013 0.020 . 2 . . . . 133 ILE HG13 . 18994 1 1524 . 1 1 133 133 ILE HG21 H 1 0.916 0.020 . 1 . . . . 133 ILE HG2 . 18994 1 1525 . 1 1 133 133 ILE HG22 H 1 0.916 0.020 . 1 . . . . 133 ILE HG2 . 18994 1 1526 . 1 1 133 133 ILE HG23 H 1 0.916 0.020 . 1 . . . . 133 ILE HG2 . 18994 1 1527 . 1 1 133 133 ILE HD11 H 1 0.766 0.020 . 1 . . . . 133 ILE HD1 . 18994 1 1528 . 1 1 133 133 ILE HD12 H 1 0.766 0.020 . 1 . . . . 133 ILE HD1 . 18994 1 1529 . 1 1 133 133 ILE HD13 H 1 0.766 0.020 . 1 . . . . 133 ILE HD1 . 18994 1 1530 . 1 1 133 133 ILE C C 13 176.443 0.400 . 1 . . . . 133 ILE C . 18994 1 1531 . 1 1 133 133 ILE CA C 13 61.107 0.400 . 1 . . . . 133 ILE CA . 18994 1 1532 . 1 1 133 133 ILE CB C 13 37.816 0.400 . 1 . . . . 133 ILE CB . 18994 1 1533 . 1 1 133 133 ILE CG1 C 13 26.987 0.400 . 1 . . . . 133 ILE CG1 . 18994 1 1534 . 1 1 133 133 ILE CG2 C 13 18.329 0.400 . 1 . . . . 133 ILE CG2 . 18994 1 1535 . 1 1 133 133 ILE CD1 C 13 14.751 0.400 . 1 . . . . 133 ILE CD1 . 18994 1 1536 . 1 1 133 133 ILE N N 15 123.103 0.400 . 1 . . . . 133 ILE N . 18994 1 1537 . 1 1 134 134 THR H H 1 9.016 0.020 . 1 . . . . 134 THR H . 18994 1 1538 . 1 1 134 134 THR HA H 1 4.295 0.020 . 1 . . . . 134 THR HA . 18994 1 1539 . 1 1 134 134 THR HB H 1 3.844 0.020 . 1 . . . . 134 THR HB . 18994 1 1540 . 1 1 134 134 THR HG21 H 1 1.463 0.020 . 1 . . . . 134 THR HG2 . 18994 1 1541 . 1 1 134 134 THR HG22 H 1 1.463 0.020 . 1 . . . . 134 THR HG2 . 18994 1 1542 . 1 1 134 134 THR HG23 H 1 1.463 0.020 . 1 . . . . 134 THR HG2 . 18994 1 1543 . 1 1 134 134 THR C C 13 175.971 0.400 . 1 . . . . 134 THR C . 18994 1 1544 . 1 1 134 134 THR CA C 13 68.673 0.400 . 1 . . . . 134 THR CA . 18994 1 1545 . 1 1 134 134 THR CB C 13 68.760 0.400 . 1 . . . . 134 THR CB . 18994 1 1546 . 1 1 134 134 THR CG2 C 13 22.083 0.400 . 1 . . . . 134 THR CG2 . 18994 1 1547 . 1 1 134 134 THR N N 15 121.627 0.400 . 1 . . . . 134 THR N . 18994 1 1548 . 1 1 135 135 ASP H H 1 8.800 0.020 . 1 . . . . 135 ASP H . 18994 1 1549 . 1 1 135 135 ASP HA H 1 4.436 0.020 . 1 . . . . 135 ASP HA . 18994 1 1550 . 1 1 135 135 ASP HB2 H 1 2.609 0.020 . 2 . . . . 135 ASP HB2 . 18994 1 1551 . 1 1 135 135 ASP HB3 H 1 2.609 0.020 . 2 . . . . 135 ASP HB3 . 18994 1 1552 . 1 1 135 135 ASP C C 13 176.976 0.400 . 1 . . . . 135 ASP C . 18994 1 1553 . 1 1 135 135 ASP CA C 13 56.409 0.400 . 1 . . . . 135 ASP CA . 18994 1 1554 . 1 1 135 135 ASP CB C 13 40.208 0.400 . 1 . . . . 135 ASP CB . 18994 1 1555 . 1 1 135 135 ASP N N 15 119.785 0.400 . 1 . . . . 135 ASP N . 18994 1 1556 . 1 1 136 136 ASN H H 1 7.961 0.020 . 1 . . . . 136 ASN H . 18994 1 1557 . 1 1 136 136 ASN HA H 1 4.604 0.020 . 1 . . . . 136 ASN HA . 18994 1 1558 . 1 1 136 136 ASN HB2 H 1 2.792 0.020 . 2 . . . . 136 ASN HB2 . 18994 1 1559 . 1 1 136 136 ASN HB3 H 1 2.792 0.020 . 2 . . . . 136 ASN HB3 . 18994 1 1560 . 1 1 136 136 ASN HD21 H 1 7.540 0.020 . 2 . . . . 136 ASN HD21 . 18994 1 1561 . 1 1 136 136 ASN HD22 H 1 6.918 0.020 . 2 . . . . 136 ASN HD22 . 18994 1 1562 . 1 1 136 136 ASN C C 13 176.099 0.400 . 1 . . . . 136 ASN C . 18994 1 1563 . 1 1 136 136 ASN CA C 13 54.295 0.400 . 1 . . . . 136 ASN CA . 18994 1 1564 . 1 1 136 136 ASN CB C 13 38.782 0.400 . 1 . . . . 136 ASN CB . 18994 1 1565 . 1 1 136 136 ASN N N 15 117.871 0.400 . 1 . . . . 136 ASN N . 18994 1 1566 . 1 1 136 136 ASN ND2 N 15 111.333 0.400 . 1 . . . . 136 ASN ND2 . 18994 1 1567 . 1 1 137 137 LYS H H 1 7.785 0.020 . 1 . . . . 137 LYS H . 18994 1 1568 . 1 1 137 137 LYS HA H 1 4.056 0.020 . 1 . . . . 137 LYS HA . 18994 1 1569 . 1 1 137 137 LYS HB2 H 1 1.417 0.020 . 2 . . . . 137 LYS HB2 . 18994 1 1570 . 1 1 137 137 LYS HB3 H 1 1.417 0.020 . 2 . . . . 137 LYS HB3 . 18994 1 1571 . 1 1 137 137 LYS HG2 H 1 0.921 0.020 . 2 . . . . 137 LYS HG2 . 18994 1 1572 . 1 1 137 137 LYS HG3 H 1 0.617 0.020 . 2 . . . . 137 LYS HG3 . 18994 1 1573 . 1 1 137 137 LYS HD2 H 1 1.970 0.020 . 2 . . . . 137 LYS HD2 . 18994 1 1574 . 1 1 137 137 LYS HD3 H 1 1.970 0.020 . 2 . . . . 137 LYS HD3 . 18994 1 1575 . 1 1 137 137 LYS C C 13 177.120 0.400 . 1 . . . . 137 LYS C . 18994 1 1576 . 1 1 137 137 LYS CA C 13 56.114 0.400 . 1 . . . . 137 LYS CA . 18994 1 1577 . 1 1 137 137 LYS CB C 13 31.768 0.400 . 1 . . . . 137 LYS CB . 18994 1 1578 . 1 1 137 137 LYS CG C 13 23.810 0.400 . 1 . . . . 137 LYS CG . 18994 1 1579 . 1 1 137 137 LYS CD C 13 27.790 0.400 . 1 . . . . 137 LYS CD . 18994 1 1580 . 1 1 137 137 LYS CE C 13 41.261 0.400 . 1 . . . . 137 LYS CE . 18994 1 1581 . 1 1 137 137 LYS N N 15 119.384 0.400 . 1 . . . . 137 LYS N . 18994 1 1582 . 1 1 138 138 LYS H H 1 7.907 0.020 . 1 . . . . 138 LYS H . 18994 1 1583 . 1 1 138 138 LYS HA H 1 4.160 0.020 . 1 . . . . 138 LYS HA . 18994 1 1584 . 1 1 138 138 LYS HB2 H 1 1.789 0.020 . 2 . . . . 138 LYS HB2 . 18994 1 1585 . 1 1 138 138 LYS HB3 H 1 1.789 0.020 . 2 . . . . 138 LYS HB3 . 18994 1 1586 . 1 1 138 138 LYS HG2 H 1 1.437 0.020 . 2 . . . . 138 LYS HG2 . 18994 1 1587 . 1 1 138 138 LYS HG3 H 1 1.376 0.020 . 2 . . . . 138 LYS HG3 . 18994 1 1588 . 1 1 138 138 LYS C C 13 176.764 0.400 . 1 . . . . 138 LYS C . 18994 1 1589 . 1 1 138 138 LYS CA C 13 57.199 0.400 . 1 . . . . 138 LYS CA . 18994 1 1590 . 1 1 138 138 LYS CB C 13 32.714 0.400 . 1 . . . . 138 LYS CB . 18994 1 1591 . 1 1 138 138 LYS CG C 13 24.879 0.400 . 1 . . . . 138 LYS CG . 18994 1 1592 . 1 1 138 138 LYS CD C 13 29.170 0.400 . 1 . . . . 138 LYS CD . 18994 1 1593 . 1 1 138 138 LYS CE C 13 41.928 0.400 . 1 . . . . 138 LYS CE . 18994 1 1594 . 1 1 138 138 LYS N N 15 120.445 0.400 . 1 . . . . 138 LYS N . 18994 1 1595 . 1 1 139 139 ASP H H 1 8.173 0.020 . 1 . . . . 139 ASP H . 18994 1 1596 . 1 1 139 139 ASP HA H 1 4.555 0.020 . 1 . . . . 139 ASP HA . 18994 1 1597 . 1 1 139 139 ASP HB2 H 1 2.708 0.020 . 2 . . . . 139 ASP HB2 . 18994 1 1598 . 1 1 139 139 ASP HB3 H 1 2.617 0.020 . 2 . . . . 139 ASP HB3 . 18994 1 1599 . 1 1 139 139 ASP C C 13 176.595 0.400 . 1 . . . . 139 ASP C . 18994 1 1600 . 1 1 139 139 ASP CA C 13 54.785 0.400 . 1 . . . . 139 ASP CA . 18994 1 1601 . 1 1 139 139 ASP CB C 13 40.890 0.400 . 1 . . . . 139 ASP CB . 18994 1 1602 . 1 1 139 139 ASP N N 15 120.059 0.400 . 1 . . . . 139 ASP N . 18994 1 stop_ save_