data_16870 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16870 _Entry.Title ; 1H, 13C, and 15N resonance assignments of the N-terminal domain of human Tubulin Cofactor C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-15 _Entry.Accession_date 2010-04-15 _Entry.Last_release_date 2011-09-28 _Entry.Original_release_date 2011-09-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Maria Flor' 'Garcia Mayoral' . . . 16870 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16870 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 370 16870 '15N chemical shifts' 108 16870 '1H chemical shifts' 797 16870 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-09-28 2010-04-15 original author . 16870 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16870 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20617401 _Citation.Full_citation . _Citation.Title '1H, 13C, and 15N resonance assignments of the N-terminal domain of human Tubulin Binding Cofactor C' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 4 _Citation.Journal_issue 2 _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 219 _Citation.Page_last 221 _Citation.Year 2010 _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 'Maria Flor' 'Garcia Mayoral' . . . 16870 1 2 Raquel Castano . . . 16870 1 3 'Juan Carlos' Zabala . . . 16870 1 4 Jorge Santoro . . . 16870 1 5 Manuel Rico . . . 16870 1 6 Marta Bruix . . . 16870 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 16870 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '1H, 13C, 15N resonance assignments of the N-terminal domain of human Tubulin Cofactor C' _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'Plos One' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 'Maria Flor' 'Garcia Mayoral' . . . 16870 2 2 Raquel Castano . . . 16870 2 3 'Juan Carlos' Zabala . . . 16870 2 4 Jorge Santoro . . . 16870 2 5 Manuel Rico . . . 16870 2 6 Marta Bruix . . . 16870 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16870 _Assembly.ID 1 _Assembly.Name 'Human Tubulin Cofactor C' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Human Tubulin Cofactor C' 1 $TBCC A . yes native no no . . . 16870 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TBCC _Entity.Sf_category entity _Entity.Sf_framecode TBCC _Entity.Entry_ID 16870 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Human Tubulin Cofactor C' _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 ; MPERLQRREQERQLEVERRK QKRQNQEVEKENSHFFVATF ARERAAVEELLERAESVERL EEAASRLQGLQKLINDSVFF LAAYDLRQGQEALARLQAAL AERRRGLQPKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 'N terminal' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L3L . "The Solution Structure Of The N-Terminal Domain Of Human Tubulin Binding Cofactor C Reveals A Platform For The Interaction With" . . . . . 100.00 111 100.00 100.00 6.08e-67 . . . . 16870 1 2 no DBJ BAG35561 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 346 99.10 100.00 6.45e-65 . . . . 16870 1 3 no EMBL CAH92969 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 346 97.30 98.20 1.29e-62 . . . . 16870 1 4 no GB AAB17539 . "cofactor C [Homo sapiens]" . . . . . 100.00 346 99.10 100.00 6.45e-65 . . . . 16870 1 5 no GB AAH17479 . "TBCC protein [Homo sapiens]" . . . . . 100.00 346 99.10 100.00 6.45e-65 . . . . 16870 1 6 no GB AAH20170 . "Tubulin folding cofactor C [Homo sapiens]" . . . . . 100.00 346 99.10 100.00 6.45e-65 . . . . 16870 1 7 no GB AAP35648 . "tubulin-specific chaperone c [Homo sapiens]" . . . . . 100.00 346 99.10 100.00 6.45e-65 . . . . 16870 1 8 no GB AAP36382 . "Homo sapiens tubulin-specific chaperone c [synthetic construct]" . . . . . 100.00 347 99.10 100.00 6.99e-65 . . . . 16870 1 9 no REF NP_001126753 . "tubulin-specific chaperone C [Pongo abelii]" . . . . . 100.00 346 97.30 98.20 1.29e-62 . . . . 16870 1 10 no REF NP_003183 . "tubulin-specific chaperone C [Homo sapiens]" . . . . . 100.00 346 99.10 100.00 6.45e-65 . . . . 16870 1 11 no REF XP_003833336 . "PREDICTED: tubulin-specific chaperone C [Pan paniscus]" . . . . . 100.00 377 97.30 98.20 3.42e-62 . . . . 16870 1 12 no REF XP_004044073 . "PREDICTED: tubulin-specific chaperone C [Gorilla gorilla gorilla]" . . . . . 100.00 377 97.30 98.20 3.42e-62 . . . . 16870 1 13 no REF XP_518477 . "PREDICTED: tubulin-specific chaperone C [Pan troglodytes]" . . . . . 100.00 377 97.30 98.20 3.42e-62 . . . . 16870 1 14 no SP Q15814 . "RecName: Full=Tubulin-specific chaperone C; AltName: Full=Tubulin-folding cofactor C; Short=CFC" . . . . . 100.00 346 98.20 99.10 2.20e-64 . . . . 16870 1 15 no SP Q5R5J7 . "RecName: Full=Tubulin-specific chaperone C; AltName: Full=Tubulin-folding cofactor C; Short=CFC" . . . . . 100.00 346 97.30 98.20 1.29e-62 . . . . 16870 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Tubulin folding' 16870 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 25 MET . 16870 1 2 26 PRO . 16870 1 3 27 GLU . 16870 1 4 28 ARG . 16870 1 5 29 LEU . 16870 1 6 30 GLN . 16870 1 7 31 ARG . 16870 1 8 32 ARG . 16870 1 9 33 GLU . 16870 1 10 34 GLN . 16870 1 11 35 GLU . 16870 1 12 36 ARG . 16870 1 13 37 GLN . 16870 1 14 38 LEU . 16870 1 15 39 GLU . 16870 1 16 40 VAL . 16870 1 17 41 GLU . 16870 1 18 42 ARG . 16870 1 19 43 ARG . 16870 1 20 44 LYS . 16870 1 21 45 GLN . 16870 1 22 46 LYS . 16870 1 23 47 ARG . 16870 1 24 48 GLN . 16870 1 25 49 ASN . 16870 1 26 50 GLN . 16870 1 27 51 GLU . 16870 1 28 52 VAL . 16870 1 29 53 GLU . 16870 1 30 54 LYS . 16870 1 31 55 GLU . 16870 1 32 56 ASN . 16870 1 33 57 SER . 16870 1 34 58 HIS . 16870 1 35 59 PHE . 16870 1 36 60 PHE . 16870 1 37 61 VAL . 16870 1 38 62 ALA . 16870 1 39 63 THR . 16870 1 40 64 PHE . 16870 1 41 65 ALA . 16870 1 42 66 ARG . 16870 1 43 67 GLU . 16870 1 44 68 ARG . 16870 1 45 69 ALA . 16870 1 46 70 ALA . 16870 1 47 71 VAL . 16870 1 48 72 GLU . 16870 1 49 73 GLU . 16870 1 50 74 LEU . 16870 1 51 75 LEU . 16870 1 52 76 GLU . 16870 1 53 77 ARG . 16870 1 54 78 ALA . 16870 1 55 79 GLU . 16870 1 56 80 SER . 16870 1 57 81 VAL . 16870 1 58 82 GLU . 16870 1 59 83 ARG . 16870 1 60 84 LEU . 16870 1 61 85 GLU . 16870 1 62 86 GLU . 16870 1 63 87 ALA . 16870 1 64 88 ALA . 16870 1 65 89 SER . 16870 1 66 90 ARG . 16870 1 67 91 LEU . 16870 1 68 92 GLN . 16870 1 69 93 GLY . 16870 1 70 94 LEU . 16870 1 71 95 GLN . 16870 1 72 96 LYS . 16870 1 73 97 LEU . 16870 1 74 98 ILE . 16870 1 75 99 ASN . 16870 1 76 100 ASP . 16870 1 77 101 SER . 16870 1 78 102 VAL . 16870 1 79 103 PHE . 16870 1 80 104 PHE . 16870 1 81 105 LEU . 16870 1 82 106 ALA . 16870 1 83 107 ALA . 16870 1 84 108 TYR . 16870 1 85 109 ASP . 16870 1 86 110 LEU . 16870 1 87 111 ARG . 16870 1 88 112 GLN . 16870 1 89 113 GLY . 16870 1 90 114 GLN . 16870 1 91 115 GLU . 16870 1 92 116 ALA . 16870 1 93 117 LEU . 16870 1 94 118 ALA . 16870 1 95 119 ARG . 16870 1 96 120 LEU . 16870 1 97 121 GLN . 16870 1 98 122 ALA . 16870 1 99 123 ALA . 16870 1 100 124 LEU . 16870 1 101 125 ALA . 16870 1 102 126 GLU . 16870 1 103 127 ARG . 16870 1 104 128 ARG . 16870 1 105 129 ARG . 16870 1 106 130 GLY . 16870 1 107 131 LEU . 16870 1 108 132 GLN . 16870 1 109 133 PRO . 16870 1 110 134 LYS . 16870 1 111 135 LYS . 16870 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 16870 1 . PRO 2 2 16870 1 . GLU 3 3 16870 1 . ARG 4 4 16870 1 . LEU 5 5 16870 1 . GLN 6 6 16870 1 . ARG 7 7 16870 1 . ARG 8 8 16870 1 . GLU 9 9 16870 1 . GLN 10 10 16870 1 . GLU 11 11 16870 1 . ARG 12 12 16870 1 . GLN 13 13 16870 1 . LEU 14 14 16870 1 . GLU 15 15 16870 1 . VAL 16 16 16870 1 . GLU 17 17 16870 1 . ARG 18 18 16870 1 . ARG 19 19 16870 1 . LYS 20 20 16870 1 . GLN 21 21 16870 1 . LYS 22 22 16870 1 . ARG 23 23 16870 1 . GLN 24 24 16870 1 . ASN 25 25 16870 1 . GLN 26 26 16870 1 . GLU 27 27 16870 1 . VAL 28 28 16870 1 . GLU 29 29 16870 1 . LYS 30 30 16870 1 . GLU 31 31 16870 1 . ASN 32 32 16870 1 . SER 33 33 16870 1 . HIS 34 34 16870 1 . PHE 35 35 16870 1 . PHE 36 36 16870 1 . VAL 37 37 16870 1 . ALA 38 38 16870 1 . THR 39 39 16870 1 . PHE 40 40 16870 1 . ALA 41 41 16870 1 . ARG 42 42 16870 1 . GLU 43 43 16870 1 . ARG 44 44 16870 1 . ALA 45 45 16870 1 . ALA 46 46 16870 1 . VAL 47 47 16870 1 . GLU 48 48 16870 1 . GLU 49 49 16870 1 . LEU 50 50 16870 1 . LEU 51 51 16870 1 . GLU 52 52 16870 1 . ARG 53 53 16870 1 . ALA 54 54 16870 1 . GLU 55 55 16870 1 . SER 56 56 16870 1 . VAL 57 57 16870 1 . GLU 58 58 16870 1 . ARG 59 59 16870 1 . LEU 60 60 16870 1 . GLU 61 61 16870 1 . GLU 62 62 16870 1 . ALA 63 63 16870 1 . ALA 64 64 16870 1 . SER 65 65 16870 1 . ARG 66 66 16870 1 . LEU 67 67 16870 1 . GLN 68 68 16870 1 . GLY 69 69 16870 1 . LEU 70 70 16870 1 . GLN 71 71 16870 1 . LYS 72 72 16870 1 . LEU 73 73 16870 1 . ILE 74 74 16870 1 . ASN 75 75 16870 1 . ASP 76 76 16870 1 . SER 77 77 16870 1 . VAL 78 78 16870 1 . PHE 79 79 16870 1 . PHE 80 80 16870 1 . LEU 81 81 16870 1 . ALA 82 82 16870 1 . ALA 83 83 16870 1 . TYR 84 84 16870 1 . ASP 85 85 16870 1 . LEU 86 86 16870 1 . ARG 87 87 16870 1 . GLN 88 88 16870 1 . GLY 89 89 16870 1 . GLN 90 90 16870 1 . GLU 91 91 16870 1 . ALA 92 92 16870 1 . LEU 93 93 16870 1 . ALA 94 94 16870 1 . ARG 95 95 16870 1 . LEU 96 96 16870 1 . GLN 97 97 16870 1 . ALA 98 98 16870 1 . ALA 99 99 16870 1 . LEU 100 100 16870 1 . ALA 101 101 16870 1 . GLU 102 102 16870 1 . ARG 103 103 16870 1 . ARG 104 104 16870 1 . ARG 105 105 16870 1 . GLY 106 106 16870 1 . LEU 107 107 16870 1 . GLN 108 108 16870 1 . PRO 109 109 16870 1 . LYS 110 110 16870 1 . LYS 111 111 16870 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 16870 _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 $TBCC . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16870 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 16870 _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 $TBCC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET3a . . . . . . 16870 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16870 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TBCC_Nterm '[U-13C; U-15N]' . . 1 $TBCC . . . 0.5 1.0 mM . . . . 16870 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16870 1 3 'potassium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 16870 1 4 TCEP 'natural abundance' . . . . . . 1.0 . . mM . . . . 16870 1 5 EDTA 'natural abundance' . . . . . . 1.0 . . mM . . . . 16870 1 6 DSS 'natural abundance' . . . . . . 0.05 . . mM . . . . 16870 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16870 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16870 1 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 16870 _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' 0.02 . M 16870 1 pH 6.0 . pH 16870 1 pressure 1 . atm 16870 1 temperature 298 . K 16870 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16870 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16870 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16870 1 'data analysis' 16870 1 'peak picking' 16870 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16870 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16870 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16870 2 processing 16870 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16870 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16870 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16870 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 16870 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16870 _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 . 800 . . . 16870 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 16870 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16870 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16870 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16870 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16870 1 5 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16870 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16870 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16870 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16870 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16870 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16870 1 11 '3D HA(CA)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16870 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 16870 _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 na indirect 0.251449530 . . . . . . . . . 16870 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 16870 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 16870 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 16870 _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' . . . 16870 1 2 '3D HNCA' . . . 16870 1 3 '3D HN(CO)CA' . . . 16870 1 4 '3D CBCA(CO)NH' . . . 16870 1 5 '3D CBCANH' . . . 16870 1 6 '3D HCCH-TOCSY' . . . 16870 1 7 '3D 1H-15N NOESY' . . . 16870 1 8 '3D 1H-15N TOCSY' . . . 16870 1 9 '3D 1H-13C NOESY' . . . 16870 1 10 '2D 1H-1H NOESY' . . . 16870 1 11 '3D HA(CA)NH' . . . 16870 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 16870 1 2 $TOPSPIN . . 16870 1 3 $CYANA . . 16870 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.087 0.001 . 1 . . . . 25 MET HA . 16870 1 2 . 1 1 1 1 MET HB2 H 1 2.162 0.006 . 1 . . . . 25 MET QB . 16870 1 3 . 1 1 1 1 MET HB3 H 1 2.162 0.006 . 1 . . . . 25 MET QB . 16870 1 4 . 1 1 1 1 MET HE1 H 1 2.088 0.002 . 1 . . . . 25 MET QE . 16870 1 5 . 1 1 1 1 MET HE2 H 1 2.088 0.002 . 1 . . . . 25 MET QE . 16870 1 6 . 1 1 1 1 MET HE3 H 1 2.088 0.002 . 1 . . . . 25 MET QE . 16870 1 7 . 1 1 1 1 MET HG2 H 1 2.452 0.003 . 1 . . . . 25 MET QG . 16870 1 8 . 1 1 1 1 MET HG3 H 1 2.452 0.003 . 1 . . . . 25 MET QG . 16870 1 9 . 1 1 1 1 MET CA C 13 55.251 0.003 . 1 . . . . 25 MET CA . 16870 1 10 . 1 1 1 1 MET CB C 13 29.339 0.000 . 1 . . . . 25 MET CB . 16870 1 11 . 1 1 1 1 MET CE C 13 15.906 0.000 . 1 . . . . 25 MET CE . 16870 1 12 . 1 1 1 1 MET CG C 13 32.916 0.000 . 1 . . . . 25 MET CG . 16870 1 13 . 1 1 2 2 PRO HA H 1 4.420 0.001 . 1 . . . . 26 PRO HA . 16870 1 14 . 1 1 2 2 PRO HB2 H 1 2.466 0.003 . 2 . . . . 26 PRO HB2 . 16870 1 15 . 1 1 2 2 PRO HB3 H 1 2.057 0.000 . 2 . . . . 26 PRO HB3 . 16870 1 16 . 1 1 2 2 PRO HD2 H 1 3.413 0.004 . 1 . . . . 26 PRO QD . 16870 1 17 . 1 1 2 2 PRO HD3 H 1 3.413 0.004 . 1 . . . . 26 PRO QD . 16870 1 18 . 1 1 2 2 PRO HG2 H 1 2.074 0.000 . 2 . . . . 26 PRO HG2 . 16870 1 19 . 1 1 2 2 PRO HG3 H 1 2.031 0.000 . 2 . . . . 26 PRO HG3 . 16870 1 20 . 1 1 2 2 PRO CA C 13 62.360 0.000 . 1 . . . . 26 PRO CA . 16870 1 21 . 1 1 2 2 PRO CB C 13 32.481 0.073 . 1 . . . . 26 PRO CB . 16870 1 22 . 1 1 2 2 PRO CD C 13 49.456 0.005 . 1 . . . . 26 PRO CD . 16870 1 23 . 1 1 2 2 PRO CG C 13 26.477 0.029 . 1 . . . . 26 PRO CG . 16870 1 24 . 1 1 3 3 GLU H H 1 8.837 0.001 . 1 . . . . 27 GLU H . 16870 1 25 . 1 1 3 3 GLU HA H 1 4.350 0.003 . 1 . . . . 27 GLU HA . 16870 1 26 . 1 1 3 3 GLU HB2 H 1 2.068 0.000 . 2 . . . . 27 GLU HB2 . 16870 1 27 . 1 1 3 3 GLU HB3 H 1 1.951 0.001 . 2 . . . . 27 GLU HB3 . 16870 1 28 . 1 1 3 3 GLU HG2 H 1 2.324 0.000 . 2 . . . . 27 GLU HG2 . 16870 1 29 . 1 1 3 3 GLU HG3 H 1 2.276 0.001 . 2 . . . . 27 GLU HG3 . 16870 1 30 . 1 1 3 3 GLU CA C 13 56.612 0.029 . 1 . . . . 27 GLU CA . 16870 1 31 . 1 1 3 3 GLU CB C 13 30.477 0.037 . 1 . . . . 27 GLU CB . 16870 1 32 . 1 1 3 3 GLU CG C 13 36.162 0.035 . 1 . . . . 27 GLU CG . 16870 1 33 . 1 1 3 3 GLU N N 15 121.147 0.032 . 1 . . . . 27 GLU N . 16870 1 34 . 1 1 4 4 ARG H H 1 8.604 0.002 . 1 . . . . 28 ARG H . 16870 1 35 . 1 1 4 4 ARG HA H 1 4.331 0.000 . 1 . . . . 28 ARG HA . 16870 1 36 . 1 1 4 4 ARG HB2 H 1 1.808 0.001 . 1 . . . . 28 ARG QB . 16870 1 37 . 1 1 4 4 ARG HB3 H 1 1.808 0.001 . 1 . . . . 28 ARG QB . 16870 1 38 . 1 1 4 4 ARG HD2 H 1 3.220 0.000 . 1 . . . . 28 ARG QD . 16870 1 39 . 1 1 4 4 ARG HD3 H 1 3.220 0.000 . 1 . . . . 28 ARG QD . 16870 1 40 . 1 1 4 4 ARG HG2 H 1 1.652 0.000 . 1 . . . . 28 ARG QG . 16870 1 41 . 1 1 4 4 ARG HG3 H 1 1.652 0.000 . 1 . . . . 28 ARG QG . 16870 1 42 . 1 1 4 4 ARG CA C 13 56.398 0.071 . 1 . . . . 28 ARG CA . 16870 1 43 . 1 1 4 4 ARG CB C 13 30.656 0.050 . 1 . . . . 28 ARG CB . 16870 1 44 . 1 1 4 4 ARG CD C 13 43.435 0.000 . 1 . . . . 28 ARG CD . 16870 1 45 . 1 1 4 4 ARG N N 15 122.959 0.007 . 1 . . . . 28 ARG N . 16870 1 46 . 1 1 5 5 LEU H H 1 8.377 0.002 . 1 . . . . 29 LEU H . 16870 1 47 . 1 1 5 5 LEU HA H 1 4.355 0.002 . 1 . . . . 29 LEU HA . 16870 1 48 . 1 1 5 5 LEU HB2 H 1 1.646 0.005 . 2 . . . . 29 LEU HB2 . 16870 1 49 . 1 1 5 5 LEU HB3 H 1 1.568 0.010 . 2 . . . . 29 LEU HB3 . 16870 1 50 . 1 1 5 5 LEU HD11 H 1 0.925 0.000 . 2 . . . . 29 LEU QD1 . 16870 1 51 . 1 1 5 5 LEU HD12 H 1 0.925 0.000 . 2 . . . . 29 LEU QD1 . 16870 1 52 . 1 1 5 5 LEU HD13 H 1 0.925 0.000 . 2 . . . . 29 LEU QD1 . 16870 1 53 . 1 1 5 5 LEU HD21 H 1 0.876 0.001 . 2 . . . . 29 LEU QD2 . 16870 1 54 . 1 1 5 5 LEU HD22 H 1 0.876 0.001 . 2 . . . . 29 LEU QD2 . 16870 1 55 . 1 1 5 5 LEU HD23 H 1 0.876 0.001 . 2 . . . . 29 LEU QD2 . 16870 1 56 . 1 1 5 5 LEU HG H 1 1.605 0.000 . 1 . . . . 29 LEU HG . 16870 1 57 . 1 1 5 5 LEU CA C 13 55.280 0.042 . 1 . . . . 29 LEU CA . 16870 1 58 . 1 1 5 5 LEU CB C 13 42.377 0.066 . 1 . . . . 29 LEU CB . 16870 1 59 . 1 1 5 5 LEU CD1 C 13 24.910 0.000 . 2 . . . . 29 LEU CD1 . 16870 1 60 . 1 1 5 5 LEU CD2 C 13 23.613 0.005 . 2 . . . . 29 LEU CD2 . 16870 1 61 . 1 1 5 5 LEU CG C 13 27.076 0.035 . 1 . . . . 29 LEU CG . 16870 1 62 . 1 1 5 5 LEU N N 15 123.758 0.034 . 1 . . . . 29 LEU N . 16870 1 63 . 1 1 6 6 GLN H H 1 8.491 0.002 . 1 . . . . 30 GLN H . 16870 1 64 . 1 1 6 6 GLN HA H 1 4.320 0.000 . 1 . . . . 30 GLN HA . 16870 1 65 . 1 1 6 6 GLN HB2 H 1 2.026 0.000 . 1 . . . . 30 GLN QB . 16870 1 66 . 1 1 6 6 GLN HB3 H 1 2.026 0.000 . 1 . . . . 30 GLN QB . 16870 1 67 . 1 1 6 6 GLN HG2 H 1 2.318 0.000 . 1 . . . . 30 GLN QG . 16870 1 68 . 1 1 6 6 GLN HG3 H 1 2.318 0.000 . 1 . . . . 30 GLN QG . 16870 1 69 . 1 1 6 6 GLN CA C 13 56.053 0.019 . 1 . . . . 30 GLN CA . 16870 1 70 . 1 1 6 6 GLN CB C 13 29.452 0.013 . 1 . . . . 30 GLN CB . 16870 1 71 . 1 1 6 6 GLN N N 15 121.908 0.006 . 1 . . . . 30 GLN N . 16870 1 72 . 1 1 7 7 ARG H H 1 8.454 0.002 . 1 . . . . 31 ARG H . 16870 1 73 . 1 1 7 7 ARG HA H 1 4.311 0.000 . 1 . . . . 31 ARG HA . 16870 1 74 . 1 1 7 7 ARG HB2 H 1 1.882 0.000 . 2 . . . . 31 ARG HB2 . 16870 1 75 . 1 1 7 7 ARG HB3 H 1 1.801 0.000 . 2 . . . . 31 ARG HB3 . 16870 1 76 . 1 1 7 7 ARG HD2 H 1 3.219 0.000 . 1 . . . . 31 ARG QD . 16870 1 77 . 1 1 7 7 ARG HD3 H 1 3.219 0.000 . 1 . . . . 31 ARG QD . 16870 1 78 . 1 1 7 7 ARG HG2 H 1 1.635 0.000 . 1 . . . . 31 ARG QG . 16870 1 79 . 1 1 7 7 ARG HG3 H 1 1.635 0.000 . 1 . . . . 31 ARG QG . 16870 1 80 . 1 1 7 7 ARG CA C 13 56.830 0.064 . 1 . . . . 31 ARG CA . 16870 1 81 . 1 1 7 7 ARG CB C 13 30.543 0.039 . 1 . . . . 31 ARG CB . 16870 1 82 . 1 1 7 7 ARG CG C 13 27.363 0.000 . 5 . . . . 31 ARG CG . 16870 1 83 . 1 1 7 7 ARG N N 15 122.766 0.037 . 1 . . . . 31 ARG N . 16870 1 84 . 1 1 8 8 ARG H H 1 8.512 0.002 . 1 . . . . 32 ARG H . 16870 1 85 . 1 1 8 8 ARG HA H 1 4.296 0.000 . 1 . . . . 32 ARG HA . 16870 1 86 . 1 1 8 8 ARG HB2 H 1 1.833 0.000 . 1 . . . . 32 ARG QB . 16870 1 87 . 1 1 8 8 ARG HB3 H 1 1.833 0.000 . 1 . . . . 32 ARG QB . 16870 1 88 . 1 1 8 8 ARG HG2 H 1 1.660 0.000 . 1 . . . . 32 ARG QG . 16870 1 89 . 1 1 8 8 ARG HG3 H 1 1.660 0.000 . 1 . . . . 32 ARG QG . 16870 1 90 . 1 1 8 8 ARG CA C 13 57.069 0.013 . 1 . . . . 32 ARG CA . 16870 1 91 . 1 1 8 8 ARG CB C 13 30.526 0.030 . 1 . . . . 32 ARG CB . 16870 1 92 . 1 1 8 8 ARG N N 15 121.907 0.006 . 1 . . . . 32 ARG N . 16870 1 93 . 1 1 9 9 GLU H H 1 8.490 0.004 . 1 . . . . 33 GLU H . 16870 1 94 . 1 1 9 9 GLU HA H 1 4.299 0.000 . 1 . . . . 33 GLU HA . 16870 1 95 . 1 1 9 9 GLU HB2 H 1 2.053 0.000 . 1 . . . . 33 GLU QB . 16870 1 96 . 1 1 9 9 GLU HB3 H 1 2.053 0.000 . 1 . . . . 33 GLU QB . 16870 1 97 . 1 1 9 9 GLU HG2 H 1 2.357 0.000 . 1 . . . . 33 GLU QG . 16870 1 98 . 1 1 9 9 GLU HG3 H 1 2.357 0.000 . 1 . . . . 33 GLU QG . 16870 1 99 . 1 1 9 9 GLU CA C 13 57.804 0.026 . 1 . . . . 33 GLU CA . 16870 1 100 . 1 1 9 9 GLU CB C 13 29.730 0.000 . 1 . . . . 33 GLU CB . 16870 1 101 . 1 1 9 9 GLU N N 15 121.480 0.001 . 1 . . . . 33 GLU N . 16870 1 102 . 1 1 10 10 GLN H H 1 8.376 0.002 . 1 . . . . 34 GLN H . 16870 1 103 . 1 1 10 10 GLN HA H 1 4.218 0.000 . 1 . . . . 34 GLN HA . 16870 1 104 . 1 1 10 10 GLN HB2 H 1 2.072 0.003 . 1 . . . . 34 GLN QB . 16870 1 105 . 1 1 10 10 GLN HB3 H 1 2.072 0.003 . 1 . . . . 34 GLN QB . 16870 1 106 . 1 1 10 10 GLN HE21 H 1 7.278 0.002 . 2 . . . . 34 GLN HE21 . 16870 1 107 . 1 1 10 10 GLN HE22 H 1 7.178 0.003 . 2 . . . . 34 GLN HE22 . 16870 1 108 . 1 1 10 10 GLN HG2 H 1 2.374 0.002 . 1 . . . . 34 GLN QG . 16870 1 109 . 1 1 10 10 GLN HG3 H 1 2.374 0.002 . 1 . . . . 34 GLN QG . 16870 1 110 . 1 1 10 10 GLN CA C 13 57.340 0.000 . 1 . . . . 34 GLN CA . 16870 1 111 . 1 1 10 10 GLN CB C 13 29.058 0.000 . 1 . . . . 34 GLN CB . 16870 1 112 . 1 1 10 10 GLN N N 15 120.370 0.006 . 1 . . . . 34 GLN N . 16870 1 113 . 1 1 11 11 GLU H H 1 8.330 0.001 . 1 . . . . 35 GLU H . 16870 1 114 . 1 1 11 11 GLU HA H 1 4.200 0.000 . 1 . . . . 35 GLU HA . 16870 1 115 . 1 1 11 11 GLU HB2 H 1 2.064 0.000 . 1 . . . . 35 GLU QB . 16870 1 116 . 1 1 11 11 GLU HB3 H 1 2.064 0.000 . 1 . . . . 35 GLU QB . 16870 1 117 . 1 1 11 11 GLU HG2 H 1 2.361 0.000 . 1 . . . . 35 GLU QG . 16870 1 118 . 1 1 11 11 GLU HG3 H 1 2.361 0.000 . 1 . . . . 35 GLU QG . 16870 1 119 . 1 1 11 11 GLU CA C 13 57.975 0.006 . 1 . . . . 35 GLU CA . 16870 1 120 . 1 1 11 11 GLU CB C 13 29.901 0.024 . 1 . . . . 35 GLU CB . 16870 1 121 . 1 1 11 11 GLU N N 15 121.063 0.005 . 1 . . . . 35 GLU N . 16870 1 122 . 1 1 12 12 ARG H H 1 8.243 0.000 . 1 . . . . 36 ARG H . 16870 1 123 . 1 1 12 12 ARG HA H 1 4.244 0.002 . 1 . . . . 36 ARG HA . 16870 1 124 . 1 1 12 12 ARG HD2 H 1 3.222 0.000 . 1 . . . . 36 ARG QD . 16870 1 125 . 1 1 12 12 ARG HD3 H 1 3.222 0.000 . 1 . . . . 36 ARG QD . 16870 1 126 . 1 1 12 12 ARG CA C 13 57.596 0.053 . 1 . . . . 36 ARG CA . 16870 1 127 . 1 1 12 12 ARG CB C 13 30.378 0.066 . 1 . . . . 36 ARG CB . 16870 1 128 . 1 1 12 12 ARG CD C 13 43.310 0.000 . 1 . . . . 36 ARG CD . 16870 1 129 . 1 1 12 12 ARG CG C 13 27.266 0.000 . 1 . . . . 36 ARG CG . 16870 1 130 . 1 1 12 12 ARG N N 15 121.317 0.001 . 1 . . . . 36 ARG N . 16870 1 131 . 1 1 13 13 GLN H H 1 8.298 0.007 . 1 . . . . 37 GLN H . 16870 1 132 . 1 1 13 13 GLN HA H 1 4.198 0.003 . 1 . . . . 37 GLN HA . 16870 1 133 . 1 1 13 13 GLN HB2 H 1 2.101 0.000 . 1 . . . . 37 GLN QB . 16870 1 134 . 1 1 13 13 GLN HB3 H 1 2.101 0.000 . 1 . . . . 37 GLN QB . 16870 1 135 . 1 1 13 13 GLN HG2 H 1 2.401 0.000 . 1 . . . . 37 GLN QG . 16870 1 136 . 1 1 13 13 GLN HG3 H 1 2.401 0.000 . 1 . . . . 37 GLN QG . 16870 1 137 . 1 1 13 13 GLN CA C 13 57.320 0.000 . 1 . . . . 37 GLN CA . 16870 1 138 . 1 1 13 13 GLN CB C 13 28.679 0.023 . 1 . . . . 37 GLN CB . 16870 1 139 . 1 1 13 13 GLN N N 15 120.361 0.008 . 1 . . . . 37 GLN N . 16870 1 140 . 1 1 14 14 LEU H H 1 8.159 0.003 . 1 . . . . 38 LEU H . 16870 1 141 . 1 1 14 14 LEU HA H 1 4.220 0.003 . 1 . . . . 38 LEU HA . 16870 1 142 . 1 1 14 14 LEU HB2 H 1 1.752 0.002 . 2 . . . . 38 LEU HB2 . 16870 1 143 . 1 1 14 14 LEU HB3 H 1 1.602 0.003 . 2 . . . . 38 LEU HB3 . 16870 1 144 . 1 1 14 14 LEU HD11 H 1 0.931 0.003 . 2 . . . . 38 LEU QD1 . 16870 1 145 . 1 1 14 14 LEU HD12 H 1 0.931 0.003 . 2 . . . . 38 LEU QD1 . 16870 1 146 . 1 1 14 14 LEU HD13 H 1 0.931 0.003 . 2 . . . . 38 LEU QD1 . 16870 1 147 . 1 1 14 14 LEU HD21 H 1 0.881 0.001 . 2 . . . . 38 LEU QD2 . 16870 1 148 . 1 1 14 14 LEU HD22 H 1 0.881 0.001 . 2 . . . . 38 LEU QD2 . 16870 1 149 . 1 1 14 14 LEU HD23 H 1 0.881 0.001 . 2 . . . . 38 LEU QD2 . 16870 1 150 . 1 1 14 14 LEU HG H 1 1.684 0.000 . 1 . . . . 38 LEU HG . 16870 1 151 . 1 1 14 14 LEU CA C 13 56.680 0.000 . 1 . . . . 38 LEU CA . 16870 1 152 . 1 1 14 14 LEU CB C 13 42.140 0.037 . 1 . . . . 38 LEU CB . 16870 1 153 . 1 1 14 14 LEU CD1 C 13 24.920 0.000 . 2 . . . . 38 LEU CD1 . 16870 1 154 . 1 1 14 14 LEU CD2 C 13 23.600 0.000 . 2 . . . . 38 LEU CD2 . 16870 1 155 . 1 1 14 14 LEU CG C 13 27.099 0.050 . 1 . . . . 38 LEU CG . 16870 1 156 . 1 1 14 14 LEU N N 15 121.799 0.006 . 1 . . . . 38 LEU N . 16870 1 157 . 1 1 15 15 GLU H H 1 8.143 0.003 . 1 . . . . 39 GLU H . 16870 1 158 . 1 1 15 15 GLU HA H 1 4.183 0.000 . 1 . . . . 39 GLU HA . 16870 1 159 . 1 1 15 15 GLU HB2 H 1 2.089 0.000 . 1 . . . . 39 GLU QB . 16870 1 160 . 1 1 15 15 GLU HB3 H 1 2.089 0.000 . 1 . . . . 39 GLU QB . 16870 1 161 . 1 1 15 15 GLU HG2 H 1 2.304 0.000 . 1 . . . . 39 GLU QG . 16870 1 162 . 1 1 15 15 GLU HG3 H 1 2.304 0.000 . 1 . . . . 39 GLU QG . 16870 1 163 . 1 1 15 15 GLU CA C 13 58.247 0.007 . 1 . . . . 39 GLU CA . 16870 1 164 . 1 1 15 15 GLU CB C 13 29.599 0.007 . 1 . . . . 39 GLU CB . 16870 1 165 . 1 1 15 15 GLU N N 15 120.647 0.001 . 1 . . . . 39 GLU N . 16870 1 166 . 1 1 16 16 VAL H H 1 7.943 0.005 . 1 . . . . 40 VAL H . 16870 1 167 . 1 1 16 16 VAL HA H 1 3.787 0.002 . 1 . . . . 40 VAL HA . 16870 1 168 . 1 1 16 16 VAL HB H 1 2.175 0.003 . 1 . . . . 40 VAL HB . 16870 1 169 . 1 1 16 16 VAL HG11 H 1 1.026 0.003 . 2 . . . . 40 VAL QG1 . 16870 1 170 . 1 1 16 16 VAL HG12 H 1 1.026 0.003 . 2 . . . . 40 VAL QG1 . 16870 1 171 . 1 1 16 16 VAL HG13 H 1 1.026 0.003 . 2 . . . . 40 VAL QG1 . 16870 1 172 . 1 1 16 16 VAL HG21 H 1 0.958 0.001 . 2 . . . . 40 VAL QG2 . 16870 1 173 . 1 1 16 16 VAL HG22 H 1 0.958 0.001 . 2 . . . . 40 VAL QG2 . 16870 1 174 . 1 1 16 16 VAL HG23 H 1 0.958 0.001 . 2 . . . . 40 VAL QG2 . 16870 1 175 . 1 1 16 16 VAL CA C 13 64.947 0.013 . 1 . . . . 40 VAL CA . 16870 1 176 . 1 1 16 16 VAL CB C 13 32.196 0.025 . 1 . . . . 40 VAL CB . 16870 1 177 . 1 1 16 16 VAL CG1 C 13 21.659 0.031 . 2 . . . . 40 VAL CG1 . 16870 1 178 . 1 1 16 16 VAL CG2 C 13 21.162 0.003 . 2 . . . . 40 VAL CG2 . 16870 1 179 . 1 1 16 16 VAL N N 15 119.978 0.005 . 1 . . . . 40 VAL N . 16870 1 180 . 1 1 17 17 GLU H H 1 8.127 0.005 . 1 . . . . 41 GLU H . 16870 1 181 . 1 1 17 17 GLU HA H 1 4.164 0.002 . 1 . . . . 41 GLU HA . 16870 1 182 . 1 1 17 17 GLU HB2 H 1 2.087 0.000 . 1 . . . . 41 GLU QB . 16870 1 183 . 1 1 17 17 GLU HB3 H 1 2.087 0.000 . 1 . . . . 41 GLU QB . 16870 1 184 . 1 1 17 17 GLU HG2 H 1 2.319 0.003 . 1 . . . . 41 GLU QG . 16870 1 185 . 1 1 17 17 GLU HG3 H 1 2.319 0.003 . 1 . . . . 41 GLU QG . 16870 1 186 . 1 1 17 17 GLU CA C 13 58.127 0.037 . 1 . . . . 41 GLU CA . 16870 1 187 . 1 1 17 17 GLU CB C 13 29.666 0.018 . 1 . . . . 41 GLU CB . 16870 1 188 . 1 1 17 17 GLU N N 15 121.164 0.001 . 1 . . . . 41 GLU N . 16870 1 189 . 1 1 18 18 ARG H H 1 8.256 0.007 . 1 . . . . 42 ARG H . 16870 1 190 . 1 1 18 18 ARG HA H 1 4.179 0.001 . 1 . . . . 42 ARG HA . 16870 1 191 . 1 1 18 18 ARG HB2 H 1 1.886 0.000 . 1 . . . . 42 ARG QB . 16870 1 192 . 1 1 18 18 ARG HB3 H 1 1.886 0.000 . 1 . . . . 42 ARG QB . 16870 1 193 . 1 1 18 18 ARG CA C 13 58.027 0.000 . 1 . . . . 42 ARG CA . 16870 1 194 . 1 1 18 18 ARG CB C 13 30.453 0.000 . 1 . . . . 42 ARG CB . 16870 1 195 . 1 1 18 18 ARG N N 15 120.647 0.005 . 1 . . . . 42 ARG N . 16870 1 196 . 1 1 19 19 ARG H H 1 8.048 0.007 . 1 . . . . 43 ARG H . 16870 1 197 . 1 1 19 19 ARG HA H 1 4.198 0.000 . 1 . . . . 43 ARG HA . 16870 1 198 . 1 1 19 19 ARG HB2 H 1 1.886 0.002 . 1 . . . . 43 ARG QB . 16870 1 199 . 1 1 19 19 ARG HB3 H 1 1.886 0.002 . 1 . . . . 43 ARG QB . 16870 1 200 . 1 1 19 19 ARG HG2 H 1 1.724 0.000 . 1 . . . . 43 ARG QG . 16870 1 201 . 1 1 19 19 ARG HG3 H 1 1.724 0.000 . 1 . . . . 43 ARG QG . 16870 1 202 . 1 1 19 19 ARG CA C 13 57.626 0.000 . 1 . . . . 43 ARG CA . 16870 1 203 . 1 1 19 19 ARG CB C 13 30.405 0.007 . 1 . . . . 43 ARG CB . 16870 1 204 . 1 1 19 19 ARG N N 15 119.575 0.006 . 1 . . . . 43 ARG N . 16870 1 205 . 1 1 20 20 LYS H H 1 7.989 0.008 . 1 . . . . 44 LYS H . 16870 1 206 . 1 1 20 20 LYS HA H 1 4.211 0.003 . 1 . . . . 44 LYS HA . 16870 1 207 . 1 1 20 20 LYS HB2 H 1 1.894 0.003 . 2 . . . . 44 LYS HB2 . 16870 1 208 . 1 1 20 20 LYS HB3 H 1 1.848 0.004 . 2 . . . . 44 LYS HB3 . 16870 1 209 . 1 1 20 20 LYS HD2 H 1 1.705 0.000 . 1 . . . . 44 LYS QD . 16870 1 210 . 1 1 20 20 LYS HD3 H 1 1.705 0.000 . 1 . . . . 44 LYS QD . 16870 1 211 . 1 1 20 20 LYS HE2 H 1 2.978 0.000 . 1 . . . . 44 LYS QE . 16870 1 212 . 1 1 20 20 LYS HE3 H 1 2.978 0.000 . 1 . . . . 44 LYS QE . 16870 1 213 . 1 1 20 20 LYS HG2 H 1 1.549 0.002 . 2 . . . . 44 LYS HG2 . 16870 1 214 . 1 1 20 20 LYS HG3 H 1 1.416 0.000 . 2 . . . . 44 LYS HG3 . 16870 1 215 . 1 1 20 20 LYS CA C 13 57.483 0.046 . 1 . . . . 44 LYS CA . 16870 1 216 . 1 1 20 20 LYS CB C 13 32.831 0.036 . 1 . . . . 44 LYS CB . 16870 1 217 . 1 1 20 20 LYS CD C 13 29.230 0.000 . 1 . . . . 44 LYS CD . 16870 1 218 . 1 1 20 20 LYS CE C 13 42.140 0.000 . 1 . . . . 44 LYS CE . 16870 1 219 . 1 1 20 20 LYS CG C 13 25.070 0.036 . 1 . . . . 44 LYS CG . 16870 1 220 . 1 1 20 20 LYS N N 15 120.599 0.008 . 1 . . . . 44 LYS N . 16870 1 221 . 1 1 21 21 GLN H H 1 8.097 0.005 . 1 . . . . 45 GLN H . 16870 1 222 . 1 1 21 21 GLN HA H 1 4.246 0.000 . 1 . . . . 45 GLN HA . 16870 1 223 . 1 1 21 21 GLN HB2 H 1 2.097 0.000 . 2 . . . . 45 GLN HB2 . 16870 1 224 . 1 1 21 21 GLN HB3 H 1 2.034 0.000 . 2 . . . . 45 GLN HB3 . 16870 1 225 . 1 1 21 21 GLN HE21 H 1 7.644 0.001 . 2 . . . . 45 GLN HE21 . 16870 1 226 . 1 1 21 21 GLN HE22 H 1 6.835 0.001 . 2 . . . . 45 GLN HE22 . 16870 1 227 . 1 1 21 21 GLN HG2 H 1 2.418 0.003 . 1 . . . . 45 GLN QG . 16870 1 228 . 1 1 21 21 GLN HG3 H 1 2.418 0.003 . 1 . . . . 45 GLN QG . 16870 1 229 . 1 1 21 21 GLN CA C 13 56.450 0.016 . 1 . . . . 45 GLN CA . 16870 1 230 . 1 1 21 21 GLN CB C 13 29.273 0.008 . 1 . . . . 45 GLN CB . 16870 1 231 . 1 1 21 21 GLN N N 15 119.985 0.001 . 1 . . . . 45 GLN N . 16870 1 232 . 1 1 22 22 LYS H H 1 8.220 0.003 . 1 . . . . 46 LYS H . 16870 1 233 . 1 1 22 22 LYS HA H 1 4.271 0.003 . 1 . . . . 46 LYS HA . 16870 1 234 . 1 1 22 22 LYS HB2 H 1 1.854 0.001 . 2 . . . . 46 LYS HB2 . 16870 1 235 . 1 1 22 22 LYS HB3 H 1 1.804 0.002 . 2 . . . . 46 LYS HB3 . 16870 1 236 . 1 1 22 22 LYS HD2 H 1 1.691 0.000 . 1 . . . . 46 LYS QD . 16870 1 237 . 1 1 22 22 LYS HD3 H 1 1.691 0.000 . 1 . . . . 46 LYS QD . 16870 1 238 . 1 1 22 22 LYS HE2 H 1 2.988 0.002 . 1 . . . . 46 LYS QE . 16870 1 239 . 1 1 22 22 LYS HE3 H 1 2.988 0.002 . 1 . . . . 46 LYS QE . 16870 1 240 . 1 1 22 22 LYS HG2 H 1 1.489 0.002 . 2 . . . . 46 LYS HG2 . 16870 1 241 . 1 1 22 22 LYS HG3 H 1 1.441 0.001 . 2 . . . . 46 LYS HG3 . 16870 1 242 . 1 1 22 22 LYS CA C 13 56.831 0.016 . 1 . . . . 46 LYS CA . 16870 1 243 . 1 1 22 22 LYS CB C 13 32.848 0.036 . 1 . . . . 46 LYS CB . 16870 1 244 . 1 1 22 22 LYS CD C 13 29.230 0.000 . 1 . . . . 46 LYS CD . 16870 1 245 . 1 1 22 22 LYS CE C 13 42.180 0.030 . 1 . . . . 46 LYS CE . 16870 1 246 . 1 1 22 22 LYS CG C 13 24.883 0.050 . 1 . . . . 46 LYS CG . 16870 1 247 . 1 1 22 22 LYS N N 15 122.002 0.002 . 1 . . . . 46 LYS N . 16870 1 248 . 1 1 23 23 ARG H H 1 8.283 0.003 . 1 . . . . 47 ARG H . 16870 1 249 . 1 1 23 23 ARG HA H 1 4.318 0.005 . 1 . . . . 47 ARG HA . 16870 1 250 . 1 1 23 23 ARG HB2 H 1 1.887 0.000 . 2 . . . . 47 ARG HB2 . 16870 1 251 . 1 1 23 23 ARG HB3 H 1 1.811 0.003 . 2 . . . . 47 ARG HB3 . 16870 1 252 . 1 1 23 23 ARG HD2 H 1 3.204 0.003 . 1 . . . . 47 ARG QD . 16870 1 253 . 1 1 23 23 ARG HD3 H 1 3.204 0.003 . 1 . . . . 47 ARG QD . 16870 1 254 . 1 1 23 23 ARG HG2 H 1 1.684 0.003 . 2 . . . . 47 ARG HG2 . 16870 1 255 . 1 1 23 23 ARG HG3 H 1 1.640 0.002 . 2 . . . . 47 ARG HG3 . 16870 1 256 . 1 1 23 23 ARG CA C 13 56.489 0.052 . 1 . . . . 47 ARG CA . 16870 1 257 . 1 1 23 23 ARG CB C 13 30.498 0.057 . 1 . . . . 47 ARG CB . 16870 1 258 . 1 1 23 23 ARG CD C 13 43.380 0.000 . 1 . . . . 47 ARG CD . 16870 1 259 . 1 1 23 23 ARG CG C 13 27.240 0.000 . 1 . . . . 47 ARG CG . 16870 1 260 . 1 1 23 23 ARG N N 15 121.913 0.002 . 1 . . . . 47 ARG N . 16870 1 261 . 1 1 24 24 GLN H H 1 8.501 0.002 . 1 . . . . 48 GLN H . 16870 1 262 . 1 1 24 24 GLN HA H 1 4.317 0.000 . 1 . . . . 48 GLN HA . 16870 1 263 . 1 1 24 24 GLN HB2 H 1 2.103 0.000 . 1 . . . . 48 GLN QB . 16870 1 264 . 1 1 24 24 GLN HB3 H 1 2.103 0.000 . 1 . . . . 48 GLN QB . 16870 1 265 . 1 1 24 24 GLN HG2 H 1 2.396 0.002 . 1 . . . . 48 GLN QG . 16870 1 266 . 1 1 24 24 GLN HG3 H 1 2.396 0.002 . 1 . . . . 48 GLN QG . 16870 1 267 . 1 1 24 24 GLN CA C 13 56.360 0.000 . 1 . . . . 48 GLN CA . 16870 1 268 . 1 1 24 24 GLN CB C 13 29.419 0.014 . 1 . . . . 48 GLN CB . 16870 1 269 . 1 1 24 24 GLN CG C 13 34.050 0.000 . 1 . . . . 48 GLN CG . 16870 1 270 . 1 1 24 24 GLN N N 15 121.505 0.004 . 1 . . . . 48 GLN N . 16870 1 271 . 1 1 25 25 ASN H H 1 8.516 0.003 . 1 . . . . 49 ASN H . 16870 1 272 . 1 1 25 25 ASN HA H 1 4.657 0.004 . 1 . . . . 49 ASN HA . 16870 1 273 . 1 1 25 25 ASN HB2 H 1 2.876 0.005 . 2 . . . . 49 ASN HB2 . 16870 1 274 . 1 1 25 25 ASN HB3 H 1 2.825 0.003 . 2 . . . . 49 ASN HB3 . 16870 1 275 . 1 1 25 25 ASN HD21 H 1 7.668 0.003 . 2 . . . . 49 ASN HD21 . 16870 1 276 . 1 1 25 25 ASN HD22 H 1 6.971 0.002 . 2 . . . . 49 ASN HD22 . 16870 1 277 . 1 1 25 25 ASN CA C 13 53.860 0.000 . 1 . . . . 49 ASN CA . 16870 1 278 . 1 1 25 25 ASN CB C 13 38.678 0.015 . 1 . . . . 49 ASN CB . 16870 1 279 . 1 1 25 25 ASN N N 15 119.522 0.001 . 1 . . . . 49 ASN N . 16870 1 280 . 1 1 26 26 GLN H H 1 8.440 0.004 . 1 . . . . 50 GLN H . 16870 1 281 . 1 1 26 26 GLN HA H 1 4.293 0.001 . 1 . . . . 50 GLN HA . 16870 1 282 . 1 1 26 26 GLN HB2 H 1 2.091 0.001 . 1 . . . . 50 GLN QB . 16870 1 283 . 1 1 26 26 GLN HB3 H 1 2.091 0.001 . 1 . . . . 50 GLN QB . 16870 1 284 . 1 1 26 26 GLN HG2 H 1 2.388 0.003 . 1 . . . . 50 GLN QG . 16870 1 285 . 1 1 26 26 GLN HG3 H 1 2.388 0.003 . 1 . . . . 50 GLN QG . 16870 1 286 . 1 1 26 26 GLN CA C 13 56.870 0.000 . 1 . . . . 50 GLN CA . 16870 1 287 . 1 1 26 26 GLN CB C 13 29.274 0.033 . 1 . . . . 50 GLN CB . 16870 1 288 . 1 1 26 26 GLN N N 15 120.236 0.002 . 1 . . . . 50 GLN N . 16870 1 289 . 1 1 27 27 GLU H H 1 8.416 0.003 . 1 . . . . 51 GLU H . 16870 1 290 . 1 1 27 27 GLU HA H 1 4.269 0.001 . 1 . . . . 51 GLU HA . 16870 1 291 . 1 1 27 27 GLU HB2 H 1 2.037 0.003 . 1 . . . . 51 GLU QB . 16870 1 292 . 1 1 27 27 GLU HB3 H 1 2.037 0.003 . 1 . . . . 51 GLU QB . 16870 1 293 . 1 1 27 27 GLU HG2 H 1 2.308 0.004 . 1 . . . . 51 GLU QG . 16870 1 294 . 1 1 27 27 GLU HG3 H 1 2.308 0.004 . 1 . . . . 51 GLU QG . 16870 1 295 . 1 1 27 27 GLU CA C 13 57.344 0.042 . 1 . . . . 51 GLU CA . 16870 1 296 . 1 1 27 27 GLU CB C 13 29.708 0.000 . 1 . . . . 51 GLU CB . 16870 1 297 . 1 1 27 27 GLU N N 15 121.483 0.004 . 1 . . . . 51 GLU N . 16870 1 298 . 1 1 28 28 VAL H H 1 8.039 0.006 . 1 . . . . 52 VAL H . 16870 1 299 . 1 1 28 28 VAL HA H 1 3.992 0.004 . 1 . . . . 52 VAL HA . 16870 1 300 . 1 1 28 28 VAL HB H 1 2.095 0.002 . 1 . . . . 52 VAL HB . 16870 1 301 . 1 1 28 28 VAL HG11 H 1 0.977 0.004 . 2 . . . . 52 VAL QG1 . 16870 1 302 . 1 1 28 28 VAL HG12 H 1 0.977 0.004 . 2 . . . . 52 VAL QG1 . 16870 1 303 . 1 1 28 28 VAL HG13 H 1 0.977 0.004 . 2 . . . . 52 VAL QG1 . 16870 1 304 . 1 1 28 28 VAL HG21 H 1 0.943 0.002 . 2 . . . . 52 VAL QG2 . 16870 1 305 . 1 1 28 28 VAL HG22 H 1 0.943 0.002 . 2 . . . . 52 VAL QG2 . 16870 1 306 . 1 1 28 28 VAL HG23 H 1 0.943 0.002 . 2 . . . . 52 VAL QG2 . 16870 1 307 . 1 1 28 28 VAL CA C 13 63.476 0.008 . 1 . . . . 52 VAL CA . 16870 1 308 . 1 1 28 28 VAL CB C 13 32.554 0.049 . 1 . . . . 52 VAL CB . 16870 1 309 . 1 1 28 28 VAL CG1 C 13 21.115 0.016 . 2 . . . . 52 VAL CG1 . 16870 1 310 . 1 1 28 28 VAL CG2 C 13 21.150 0.052 . 2 . . . . 52 VAL CG2 . 16870 1 311 . 1 1 28 28 VAL N N 15 120.582 0.008 . 1 . . . . 52 VAL N . 16870 1 312 . 1 1 29 29 GLU H H 1 8.380 0.005 . 1 . . . . 53 GLU H . 16870 1 313 . 1 1 29 29 GLU HA H 1 4.184 0.004 . 1 . . . . 53 GLU HA . 16870 1 314 . 1 1 29 29 GLU HB2 H 1 2.042 0.000 . 1 . . . . 53 GLU QB . 16870 1 315 . 1 1 29 29 GLU HB3 H 1 2.042 0.000 . 1 . . . . 53 GLU QB . 16870 1 316 . 1 1 29 29 GLU HG2 H 1 2.336 0.008 . 2 . . . . 53 GLU HG2 . 16870 1 317 . 1 1 29 29 GLU HG3 H 1 2.287 0.002 . 2 . . . . 53 GLU HG3 . 16870 1 318 . 1 1 29 29 GLU CA C 13 57.782 0.006 . 1 . . . . 53 GLU CA . 16870 1 319 . 1 1 29 29 GLU CB C 13 29.777 0.021 . 1 . . . . 53 GLU CB . 16870 1 320 . 1 1 29 29 GLU CG C 13 36.346 0.084 . 1 . . . . 53 GLU CG . 16870 1 321 . 1 1 29 29 GLU N N 15 123.011 0.003 . 1 . . . . 53 GLU N . 16870 1 322 . 1 1 30 30 LYS H H 1 8.152 0.004 . 1 . . . . 54 LYS H . 16870 1 323 . 1 1 30 30 LYS HA H 1 4.161 0.005 . 1 . . . . 54 LYS HA . 16870 1 324 . 1 1 30 30 LYS HB2 H 1 1.805 0.001 . 1 . . . . 54 LYS QB . 16870 1 325 . 1 1 30 30 LYS HB3 H 1 1.805 0.001 . 1 . . . . 54 LYS QB . 16870 1 326 . 1 1 30 30 LYS HD2 H 1 1.671 0.000 . 1 . . . . 54 LYS QD . 16870 1 327 . 1 1 30 30 LYS HD3 H 1 1.671 0.000 . 1 . . . . 54 LYS QD . 16870 1 328 . 1 1 30 30 LYS HE2 H 1 2.982 0.003 . 1 . . . . 54 LYS QE . 16870 1 329 . 1 1 30 30 LYS HE3 H 1 2.982 0.003 . 1 . . . . 54 LYS QE . 16870 1 330 . 1 1 30 30 LYS HG2 H 1 1.460 0.001 . 2 . . . . 54 LYS HG2 . 16870 1 331 . 1 1 30 30 LYS HG3 H 1 1.336 0.002 . 2 . . . . 54 LYS HG3 . 16870 1 332 . 1 1 30 30 LYS CA C 13 57.448 0.000 . 1 . . . . 54 LYS CA . 16870 1 333 . 1 1 30 30 LYS CB C 13 32.800 0.000 . 1 . . . . 54 LYS CB . 16870 1 334 . 1 1 30 30 LYS CD C 13 29.240 0.000 . 1 . . . . 54 LYS CD . 16870 1 335 . 1 1 30 30 LYS CE C 13 42.200 0.000 . 1 . . . . 54 LYS CE . 16870 1 336 . 1 1 30 30 LYS CG C 13 24.979 0.039 . 1 . . . . 54 LYS CG . 16870 1 337 . 1 1 30 30 LYS N N 15 121.041 0.003 . 1 . . . . 54 LYS N . 16870 1 338 . 1 1 31 31 GLU H H 1 8.243 0.010 . 1 . . . . 55 GLU H . 16870 1 339 . 1 1 31 31 GLU HA H 1 4.087 0.002 . 1 . . . . 55 GLU HA . 16870 1 340 . 1 1 31 31 GLU HB2 H 1 2.008 0.009 . 1 . . . . 55 GLU QB . 16870 1 341 . 1 1 31 31 GLU HB3 H 1 2.008 0.009 . 1 . . . . 55 GLU QB . 16870 1 342 . 1 1 31 31 GLU HG2 H 1 2.316 0.007 . 2 . . . . 55 GLU HG2 . 16870 1 343 . 1 1 31 31 GLU HG3 H 1 2.250 0.001 . 2 . . . . 55 GLU HG3 . 16870 1 344 . 1 1 31 31 GLU CA C 13 57.583 0.046 . 1 . . . . 55 GLU CA . 16870 1 345 . 1 1 31 31 GLU CB C 13 29.300 0.000 . 1 . . . . 55 GLU CB . 16870 1 346 . 1 1 31 31 GLU CG C 13 36.090 0.042 . 1 . . . . 55 GLU CG . 16870 1 347 . 1 1 31 31 GLU N N 15 120.959 0.002 . 1 . . . . 55 GLU N . 16870 1 348 . 1 1 32 32 ASN H H 1 8.290 0.007 . 1 . . . . 56 ASN H . 16870 1 349 . 1 1 32 32 ASN HA H 1 4.585 0.003 . 1 . . . . 56 ASN HA . 16870 1 350 . 1 1 32 32 ASN HB2 H 1 2.608 0.004 . 2 . . . . 56 ASN HB2 . 16870 1 351 . 1 1 32 32 ASN HB3 H 1 2.479 0.006 . 2 . . . . 56 ASN HB3 . 16870 1 352 . 1 1 32 32 ASN HD21 H 1 7.370 0.003 . 2 . . . . 56 ASN HD21 . 16870 1 353 . 1 1 32 32 ASN HD22 H 1 6.893 0.008 . 2 . . . . 56 ASN HD22 . 16870 1 354 . 1 1 32 32 ASN CA C 13 54.387 0.080 . 1 . . . . 56 ASN CA . 16870 1 355 . 1 1 32 32 ASN CB C 13 38.344 0.031 . 1 . . . . 56 ASN CB . 16870 1 356 . 1 1 32 32 ASN N N 15 118.674 0.003 . 1 . . . . 56 ASN N . 16870 1 357 . 1 1 33 33 SER H H 1 8.500 0.005 . 1 . . . . 57 SER H . 16870 1 358 . 1 1 33 33 SER HA H 1 4.346 0.008 . 1 . . . . 57 SER HA . 16870 1 359 . 1 1 33 33 SER HB2 H 1 4.067 0.002 . 2 . . . . 57 SER HB2 . 16870 1 360 . 1 1 33 33 SER HB3 H 1 4.022 0.006 . 2 . . . . 57 SER HB3 . 16870 1 361 . 1 1 33 33 SER CA C 13 61.358 0.004 . 1 . . . . 57 SER CA . 16870 1 362 . 1 1 33 33 SER CB C 13 63.080 0.000 . 1 . . . . 57 SER CB . 16870 1 363 . 1 1 33 33 SER N N 15 116.864 0.003 . 1 . . . . 57 SER N . 16870 1 364 . 1 1 34 34 HIS H H 1 8.363 0.005 . 1 . . . . 58 HIS H . 16870 1 365 . 1 1 34 34 HIS HA H 1 4.494 0.004 . 1 . . . . 58 HIS HA . 16870 1 366 . 1 1 34 34 HIS HB2 H 1 3.298 0.005 . 1 . . . . 58 HIS QB . 16870 1 367 . 1 1 34 34 HIS HB3 H 1 3.298 0.005 . 1 . . . . 58 HIS QB . 16870 1 368 . 1 1 34 34 HIS HD2 H 1 7.222 0.005 . 1 . . . . 58 HIS HD2 . 16870 1 369 . 1 1 34 34 HIS HE1 H 1 8.497 0.003 . 1 . . . . 58 HIS HE1 . 16870 1 370 . 1 1 34 34 HIS CA C 13 58.398 0.008 . 1 . . . . 58 HIS CA . 16870 1 371 . 1 1 34 34 HIS CB C 13 28.648 0.053 . 1 . . . . 58 HIS CB . 16870 1 372 . 1 1 34 34 HIS CD2 C 13 119.971 0.000 . 1 . . . . 58 HIS CD2 . 16870 1 373 . 1 1 34 34 HIS CE1 C 13 136.677 0.000 . 1 . . . . 58 HIS CE1 . 16870 1 374 . 1 1 34 34 HIS N N 15 119.728 0.019 . 1 . . . . 58 HIS N . 16870 1 375 . 1 1 35 35 PHE H H 1 8.301 0.004 . 1 . . . . 59 PHE H . 16870 1 376 . 1 1 35 35 PHE HA H 1 4.427 0.002 . 1 . . . . 59 PHE HA . 16870 1 377 . 1 1 35 35 PHE HB2 H 1 3.265 0.004 . 1 . . . . 59 PHE QB . 16870 1 378 . 1 1 35 35 PHE HB3 H 1 3.265 0.004 . 1 . . . . 59 PHE QB . 16870 1 379 . 1 1 35 35 PHE HD1 H 1 7.265 0.003 . 1 . . . . 59 PHE QD . 16870 1 380 . 1 1 35 35 PHE HD2 H 1 7.265 0.003 . 1 . . . . 59 PHE QD . 16870 1 381 . 1 1 35 35 PHE HE1 H 1 7.364 0.002 . 1 . . . . 59 PHE QE . 16870 1 382 . 1 1 35 35 PHE HE2 H 1 7.364 0.002 . 1 . . . . 59 PHE QE . 16870 1 383 . 1 1 35 35 PHE CA C 13 60.669 0.023 . 1 . . . . 59 PHE CA . 16870 1 384 . 1 1 35 35 PHE CB C 13 38.887 0.002 . 1 . . . . 59 PHE CB . 16870 1 385 . 1 1 35 35 PHE CD1 C 13 131.725 0.000 . 1 . . . . 59 PHE CD1 . 16870 1 386 . 1 1 35 35 PHE CD2 C 13 131.725 0.000 . 1 . . . . 59 PHE CD2 . 16870 1 387 . 1 1 35 35 PHE CE1 C 13 131.691 0.000 . 1 . . . . 59 PHE CE1 . 16870 1 388 . 1 1 35 35 PHE CE2 C 13 131.691 0.000 . 1 . . . . 59 PHE CE2 . 16870 1 389 . 1 1 35 35 PHE N N 15 120.019 0.006 . 1 . . . . 59 PHE N . 16870 1 390 . 1 1 36 36 PHE H H 1 8.369 0.003 . 1 . . . . 60 PHE H . 16870 1 391 . 1 1 36 36 PHE HA H 1 4.077 0.004 . 1 . . . . 60 PHE HA . 16870 1 392 . 1 1 36 36 PHE HB2 H 1 3.416 0.006 . 1 . . . . 60 PHE HB2 . 16870 1 393 . 1 1 36 36 PHE HB3 H 1 3.325 0.006 . 1 . . . . 60 PHE HB3 . 16870 1 394 . 1 1 36 36 PHE HD1 H 1 7.225 0.004 . 1 . . . . 60 PHE QD . 16870 1 395 . 1 1 36 36 PHE HD2 H 1 7.225 0.004 . 1 . . . . 60 PHE QD . 16870 1 396 . 1 1 36 36 PHE HE1 H 1 7.007 0.005 . 1 . . . . 60 PHE QE . 16870 1 397 . 1 1 36 36 PHE HE2 H 1 7.007 0.005 . 1 . . . . 60 PHE QE . 16870 1 398 . 1 1 36 36 PHE HZ H 1 6.633 0.002 . 1 . . . . 60 PHE HZ . 16870 1 399 . 1 1 36 36 PHE CA C 13 62.540 0.000 . 1 . . . . 60 PHE CA . 16870 1 400 . 1 1 36 36 PHE CB C 13 39.425 0.035 . 1 . . . . 60 PHE CB . 16870 1 401 . 1 1 36 36 PHE CD1 C 13 132.433 0.000 . 1 . . . . 60 PHE CD1 . 16870 1 402 . 1 1 36 36 PHE CD2 C 13 132.433 0.000 . 1 . . . . 60 PHE CD2 . 16870 1 403 . 1 1 36 36 PHE CE1 C 13 130.837 0.060 . 1 . . . . 60 PHE CE1 . 16870 1 404 . 1 1 36 36 PHE CE2 C 13 130.837 0.060 . 1 . . . . 60 PHE CE2 . 16870 1 405 . 1 1 36 36 PHE CZ C 13 129.289 0.000 . 1 . . . . 60 PHE CZ . 16870 1 406 . 1 1 36 36 PHE N N 15 121.882 0.003 . 1 . . . . 60 PHE N . 16870 1 407 . 1 1 37 37 VAL H H 1 8.441 0.005 . 1 . . . . 61 VAL H . 16870 1 408 . 1 1 37 37 VAL HA H 1 3.460 0.004 . 1 . . . . 61 VAL HA . 16870 1 409 . 1 1 37 37 VAL HB H 1 2.153 0.003 . 1 . . . . 61 VAL HB . 16870 1 410 . 1 1 37 37 VAL HG11 H 1 1.052 0.002 . 1 . . . . 61 VAL QG1 . 16870 1 411 . 1 1 37 37 VAL HG12 H 1 1.052 0.002 . 1 . . . . 61 VAL QG1 . 16870 1 412 . 1 1 37 37 VAL HG13 H 1 1.052 0.002 . 1 . . . . 61 VAL QG1 . 16870 1 413 . 1 1 37 37 VAL HG21 H 1 1.247 0.004 . 1 . . . . 61 VAL QG2 . 16870 1 414 . 1 1 37 37 VAL HG22 H 1 1.247 0.004 . 1 . . . . 61 VAL QG2 . 16870 1 415 . 1 1 37 37 VAL HG23 H 1 1.247 0.004 . 1 . . . . 61 VAL QG2 . 16870 1 416 . 1 1 37 37 VAL CA C 13 66.868 0.019 . 1 . . . . 61 VAL CA . 16870 1 417 . 1 1 37 37 VAL CB C 13 31.613 0.018 . 1 . . . . 61 VAL CB . 16870 1 418 . 1 1 37 37 VAL CG1 C 13 21.211 0.036 . 1 . . . . 61 VAL CG1 . 16870 1 419 . 1 1 37 37 VAL CG2 C 13 22.654 0.026 . 1 . . . . 61 VAL CG2 . 16870 1 420 . 1 1 37 37 VAL N N 15 118.570 0.020 . 1 . . . . 61 VAL N . 16870 1 421 . 1 1 38 38 ALA H H 1 7.968 0.008 . 1 . . . . 62 ALA H . 16870 1 422 . 1 1 38 38 ALA HA H 1 4.185 0.002 . 1 . . . . 62 ALA HA . 16870 1 423 . 1 1 38 38 ALA HB1 H 1 1.392 0.004 . 1 . . . . 62 ALA QB . 16870 1 424 . 1 1 38 38 ALA HB2 H 1 1.392 0.004 . 1 . . . . 62 ALA QB . 16870 1 425 . 1 1 38 38 ALA HB3 H 1 1.392 0.004 . 1 . . . . 62 ALA QB . 16870 1 426 . 1 1 38 38 ALA CA C 13 54.860 0.000 . 1 . . . . 62 ALA CA . 16870 1 427 . 1 1 38 38 ALA CB C 13 18.474 0.049 . 1 . . . . 62 ALA CB . 16870 1 428 . 1 1 38 38 ALA N N 15 121.416 0.008 . 1 . . . . 62 ALA N . 16870 1 429 . 1 1 39 39 THR H H 1 7.975 0.004 . 1 . . . . 63 THR H . 16870 1 430 . 1 1 39 39 THR HA H 1 3.732 0.005 . 1 . . . . 63 THR HA . 16870 1 431 . 1 1 39 39 THR HB H 1 3.896 0.003 . 1 . . . . 63 THR HB . 16870 1 432 . 1 1 39 39 THR HG21 H 1 1.084 0.004 . 1 . . . . 63 THR QG2 . 16870 1 433 . 1 1 39 39 THR HG22 H 1 1.084 0.004 . 1 . . . . 63 THR QG2 . 16870 1 434 . 1 1 39 39 THR HG23 H 1 1.084 0.004 . 1 . . . . 63 THR QG2 . 16870 1 435 . 1 1 39 39 THR CA C 13 66.601 0.028 . 1 . . . . 63 THR CA . 16870 1 436 . 1 1 39 39 THR CB C 13 68.658 0.018 . 1 . . . . 63 THR CB . 16870 1 437 . 1 1 39 39 THR CG2 C 13 21.706 0.062 . 1 . . . . 63 THR CG2 . 16870 1 438 . 1 1 39 39 THR N N 15 116.483 0.001 . 1 . . . . 63 THR N . 16870 1 439 . 1 1 40 40 PHE H H 1 8.815 0.002 . 1 . . . . 64 PHE H . 16870 1 440 . 1 1 40 40 PHE HA H 1 3.561 0.003 . 1 . . . . 64 PHE HA . 16870 1 441 . 1 1 40 40 PHE HB2 H 1 2.741 0.003 . 2 . . . . 64 PHE HB2 . 16870 1 442 . 1 1 40 40 PHE HB3 H 1 2.268 0.004 . 2 . . . . 64 PHE HB3 . 16870 1 443 . 1 1 40 40 PHE HD1 H 1 7.031 0.005 . 1 . . . . 64 PHE QD . 16870 1 444 . 1 1 40 40 PHE HD2 H 1 7.031 0.005 . 1 . . . . 64 PHE QD . 16870 1 445 . 1 1 40 40 PHE HE1 H 1 7.209 0.005 . 1 . . . . 64 PHE QE . 16870 1 446 . 1 1 40 40 PHE HE2 H 1 7.209 0.005 . 1 . . . . 64 PHE QE . 16870 1 447 . 1 1 40 40 PHE CA C 13 61.772 0.011 . 1 . . . . 64 PHE CA . 16870 1 448 . 1 1 40 40 PHE CB C 13 38.799 0.032 . 1 . . . . 64 PHE CB . 16870 1 449 . 1 1 40 40 PHE CD1 C 13 132.622 0.000 . 1 . . . . 64 PHE CD1 . 16870 1 450 . 1 1 40 40 PHE CD2 C 13 132.622 0.000 . 1 . . . . 64 PHE CD2 . 16870 1 451 . 1 1 40 40 PHE CE1 C 13 130.547 0.000 . 1 . . . . 64 PHE CE1 . 16870 1 452 . 1 1 40 40 PHE CE2 C 13 130.547 0.000 . 1 . . . . 64 PHE CE2 . 16870 1 453 . 1 1 40 40 PHE N N 15 122.639 0.005 . 1 . . . . 64 PHE N . 16870 1 454 . 1 1 41 41 ALA H H 1 8.071 0.006 . 1 . . . . 65 ALA H . 16870 1 455 . 1 1 41 41 ALA HA H 1 3.987 0.005 . 1 . . . . 65 ALA HA . 16870 1 456 . 1 1 41 41 ALA HB1 H 1 1.540 0.003 . 1 . . . . 65 ALA QB . 16870 1 457 . 1 1 41 41 ALA HB2 H 1 1.540 0.003 . 1 . . . . 65 ALA QB . 16870 1 458 . 1 1 41 41 ALA HB3 H 1 1.540 0.003 . 1 . . . . 65 ALA QB . 16870 1 459 . 1 1 41 41 ALA CA C 13 55.464 0.021 . 1 . . . . 65 ALA CA . 16870 1 460 . 1 1 41 41 ALA CB C 13 18.224 0.023 . 1 . . . . 65 ALA CB . 16870 1 461 . 1 1 41 41 ALA N N 15 118.699 0.012 . 1 . . . . 65 ALA N . 16870 1 462 . 1 1 42 42 ARG H H 1 7.574 0.006 . 1 . . . . 66 ARG H . 16870 1 463 . 1 1 42 42 ARG HA H 1 4.058 0.002 . 1 . . . . 66 ARG HA . 16870 1 464 . 1 1 42 42 ARG HB2 H 1 1.940 0.002 . 1 . . . . 66 ARG QB . 16870 1 465 . 1 1 42 42 ARG HB3 H 1 1.940 0.002 . 1 . . . . 66 ARG QB . 16870 1 466 . 1 1 42 42 ARG HD2 H 1 3.215 0.003 . 1 . . . . 66 ARG QD . 16870 1 467 . 1 1 42 42 ARG HD3 H 1 3.215 0.003 . 1 . . . . 66 ARG QD . 16870 1 468 . 1 1 42 42 ARG HG2 H 1 1.762 0.001 . 2 . . . . 66 ARG HG2 . 16870 1 469 . 1 1 42 42 ARG HG3 H 1 1.550 0.003 . 2 . . . . 66 ARG HG3 . 16870 1 470 . 1 1 42 42 ARG CA C 13 59.280 0.000 . 1 . . . . 66 ARG CA . 16870 1 471 . 1 1 42 42 ARG CB C 13 30.290 0.000 . 1 . . . . 66 ARG CB . 16870 1 472 . 1 1 42 42 ARG CD C 13 43.420 0.000 . 1 . . . . 66 ARG CD . 16870 1 473 . 1 1 42 42 ARG CG C 13 27.344 0.036 . 1 . . . . 66 ARG CG . 16870 1 474 . 1 1 42 42 ARG N N 15 118.434 0.044 . 1 . . . . 66 ARG N . 16870 1 475 . 1 1 43 43 GLU H H 1 8.070 0.005 . 1 . . . . 67 GLU H . 16870 1 476 . 1 1 43 43 GLU HA H 1 4.296 0.006 . 1 . . . . 67 GLU HA . 16870 1 477 . 1 1 43 43 GLU HB2 H 1 1.862 0.005 . 2 . . . . 67 GLU HB2 . 16870 1 478 . 1 1 43 43 GLU HB3 H 1 1.819 0.001 . 2 . . . . 67 GLU HB3 . 16870 1 479 . 1 1 43 43 GLU HG2 H 1 2.302 0.004 . 2 . . . . 67 GLU HG2 . 16870 1 480 . 1 1 43 43 GLU HG3 H 1 2.131 0.003 . 2 . . . . 67 GLU HG3 . 16870 1 481 . 1 1 43 43 GLU CA C 13 58.031 0.021 . 1 . . . . 67 GLU CA . 16870 1 482 . 1 1 43 43 GLU CB C 13 29.664 0.016 . 1 . . . . 67 GLU CB . 16870 1 483 . 1 1 43 43 GLU CG C 13 35.398 0.060 . 1 . . . . 67 GLU CG . 16870 1 484 . 1 1 43 43 GLU N N 15 120.522 0.022 . 1 . . . . 67 GLU N . 16870 1 485 . 1 1 44 44 ARG H H 1 8.922 0.005 . 1 . . . . 68 ARG H . 16870 1 486 . 1 1 44 44 ARG HA H 1 3.479 0.003 . 1 . . . . 68 ARG HA . 16870 1 487 . 1 1 44 44 ARG HB2 H 1 1.399 0.002 . 1 . . . . 68 ARG HB2 . 16870 1 488 . 1 1 44 44 ARG HB3 H 1 1.693 0.002 . 1 . . . . 68 ARG HB3 . 16870 1 489 . 1 1 44 44 ARG HD2 H 1 3.217 0.006 . 2 . . . . 68 ARG HD2 . 16870 1 490 . 1 1 44 44 ARG HD3 H 1 3.042 0.004 . 2 . . . . 68 ARG HD3 . 16870 1 491 . 1 1 44 44 ARG HE H 1 7.575 0.000 . 1 . . . . 68 ARG HE . 16870 1 492 . 1 1 44 44 ARG HG2 H 1 1.450 0.004 . 2 . . . . 68 ARG HG2 . 16870 1 493 . 1 1 44 44 ARG HG3 H 1 1.426 0.005 . 2 . . . . 68 ARG HG3 . 16870 1 494 . 1 1 44 44 ARG CA C 13 60.011 0.017 . 1 . . . . 68 ARG CA . 16870 1 495 . 1 1 44 44 ARG CB C 13 29.132 0.035 . 1 . . . . 68 ARG CB . 16870 1 496 . 1 1 44 44 ARG CD C 13 43.347 0.010 . 1 . . . . 68 ARG CD . 16870 1 497 . 1 1 44 44 ARG CG C 13 26.691 0.049 . 1 . . . . 68 ARG CG . 16870 1 498 . 1 1 44 44 ARG N N 15 120.828 0.001 . 1 . . . . 68 ARG N . 16870 1 499 . 1 1 45 45 ALA H H 1 7.569 0.008 . 1 . . . . 69 ALA H . 16870 1 500 . 1 1 45 45 ALA HA H 1 4.156 0.003 . 1 . . . . 69 ALA HA . 16870 1 501 . 1 1 45 45 ALA HB1 H 1 1.489 0.001 . 1 . . . . 69 ALA QB . 16870 1 502 . 1 1 45 45 ALA HB2 H 1 1.489 0.001 . 1 . . . . 69 ALA QB . 16870 1 503 . 1 1 45 45 ALA HB3 H 1 1.489 0.001 . 1 . . . . 69 ALA QB . 16870 1 504 . 1 1 45 45 ALA CA C 13 54.940 0.000 . 1 . . . . 69 ALA CA . 16870 1 505 . 1 1 45 45 ALA CB C 13 17.905 0.065 . 1 . . . . 69 ALA CB . 16870 1 506 . 1 1 45 45 ALA N N 15 119.530 0.005 . 1 . . . . 69 ALA N . 16870 1 507 . 1 1 46 46 ALA H H 1 7.671 0.003 . 1 . . . . 70 ALA H . 16870 1 508 . 1 1 46 46 ALA HA H 1 4.181 0.005 . 1 . . . . 70 ALA HA . 16870 1 509 . 1 1 46 46 ALA HB1 H 1 1.486 0.002 . 1 . . . . 70 ALA QB . 16870 1 510 . 1 1 46 46 ALA HB2 H 1 1.486 0.002 . 1 . . . . 70 ALA QB . 16870 1 511 . 1 1 46 46 ALA HB3 H 1 1.486 0.002 . 1 . . . . 70 ALA QB . 16870 1 512 . 1 1 46 46 ALA CA C 13 54.988 0.032 . 1 . . . . 70 ALA CA . 16870 1 513 . 1 1 46 46 ALA CB C 13 17.940 0.000 . 1 . . . . 70 ALA CB . 16870 1 514 . 1 1 46 46 ALA N N 15 120.683 0.007 . 1 . . . . 70 ALA N . 16870 1 515 . 1 1 47 47 VAL H H 1 8.364 0.006 . 1 . . . . 71 VAL H . 16870 1 516 . 1 1 47 47 VAL HA H 1 3.526 0.007 . 1 . . . . 71 VAL HA . 16870 1 517 . 1 1 47 47 VAL HB H 1 2.138 0.002 . 1 . . . . 71 VAL HB . 16870 1 518 . 1 1 47 47 VAL HG11 H 1 0.943 0.002 . 1 . . . . 71 VAL QG1 . 16870 1 519 . 1 1 47 47 VAL HG12 H 1 0.943 0.002 . 1 . . . . 71 VAL QG1 . 16870 1 520 . 1 1 47 47 VAL HG13 H 1 0.943 0.002 . 1 . . . . 71 VAL QG1 . 16870 1 521 . 1 1 47 47 VAL HG21 H 1 0.978 0.001 . 1 . . . . 71 VAL QG2 . 16870 1 522 . 1 1 47 47 VAL HG22 H 1 0.978 0.001 . 1 . . . . 71 VAL QG2 . 16870 1 523 . 1 1 47 47 VAL HG23 H 1 0.978 0.001 . 1 . . . . 71 VAL QG2 . 16870 1 524 . 1 1 47 47 VAL CA C 13 67.094 0.012 . 1 . . . . 71 VAL CA . 16870 1 525 . 1 1 47 47 VAL CB C 13 31.090 0.000 . 1 . . . . 71 VAL CB . 16870 1 526 . 1 1 47 47 VAL CG1 C 13 22.599 0.055 . 1 . . . . 71 VAL CG1 . 16870 1 527 . 1 1 47 47 VAL CG2 C 13 24.421 0.002 . 1 . . . . 71 VAL CG2 . 16870 1 528 . 1 1 47 47 VAL N N 15 119.100 0.001 . 1 . . . . 71 VAL N . 16870 1 529 . 1 1 48 48 GLU H H 1 8.471 0.004 . 1 . . . . 72 GLU H . 16870 1 530 . 1 1 48 48 GLU HA H 1 3.764 0.006 . 1 . . . . 72 GLU HA . 16870 1 531 . 1 1 48 48 GLU HB2 H 1 2.201 0.005 . 2 . . . . 72 GLU HB2 . 16870 1 532 . 1 1 48 48 GLU HB3 H 1 2.068 0.004 . 2 . . . . 72 GLU HB3 . 16870 1 533 . 1 1 48 48 GLU HG2 H 1 2.205 0.001 . 1 . . . . 72 GLU HG2 . 16870 1 534 . 1 1 48 48 GLU HG3 H 1 2.416 0.002 . 1 . . . . 72 GLU HG3 . 16870 1 535 . 1 1 48 48 GLU CA C 13 60.631 0.014 . 1 . . . . 72 GLU CA . 16870 1 536 . 1 1 48 48 GLU CB C 13 29.379 0.028 . 1 . . . . 72 GLU CB . 16870 1 537 . 1 1 48 48 GLU CG C 13 37.405 0.010 . 1 . . . . 72 GLU CG . 16870 1 538 . 1 1 48 48 GLU N N 15 120.293 0.015 . 1 . . . . 72 GLU N . 16870 1 539 . 1 1 49 49 GLU H H 1 7.854 0.004 . 1 . . . . 73 GLU H . 16870 1 540 . 1 1 49 49 GLU HA H 1 4.075 0.007 . 1 . . . . 73 GLU HA . 16870 1 541 . 1 1 49 49 GLU HB2 H 1 2.129 0.003 . 2 . . . . 73 GLU HB2 . 16870 1 542 . 1 1 49 49 GLU HB3 H 1 2.071 0.002 . 2 . . . . 73 GLU HB3 . 16870 1 543 . 1 1 49 49 GLU HG2 H 1 2.395 0.004 . 2 . . . . 73 GLU HG2 . 16870 1 544 . 1 1 49 49 GLU HG3 H 1 2.220 0.003 . 2 . . . . 73 GLU HG3 . 16870 1 545 . 1 1 49 49 GLU CA C 13 59.500 0.000 . 1 . . . . 73 GLU CA . 16870 1 546 . 1 1 49 49 GLU CB C 13 29.482 0.000 . 1 . . . . 73 GLU CB . 16870 1 547 . 1 1 49 49 GLU CG C 13 36.332 0.023 . 1 . . . . 73 GLU CG . 16870 1 548 . 1 1 49 49 GLU N N 15 118.579 0.002 . 1 . . . . 73 GLU N . 16870 1 549 . 1 1 50 50 LEU H H 1 7.786 0.010 . 1 . . . . 74 LEU H . 16870 1 550 . 1 1 50 50 LEU HA H 1 4.011 0.002 . 1 . . . . 74 LEU HA . 16870 1 551 . 1 1 50 50 LEU HB2 H 1 1.982 0.004 . 2 . . . . 74 LEU HB2 . 16870 1 552 . 1 1 50 50 LEU HB3 H 1 1.558 0.005 . 2 . . . . 74 LEU HB3 . 16870 1 553 . 1 1 50 50 LEU HD11 H 1 0.893 0.003 . 2 . . . . 74 LEU QD1 . 16870 1 554 . 1 1 50 50 LEU HD12 H 1 0.893 0.003 . 2 . . . . 74 LEU QD1 . 16870 1 555 . 1 1 50 50 LEU HD13 H 1 0.893 0.003 . 2 . . . . 74 LEU QD1 . 16870 1 556 . 1 1 50 50 LEU HD21 H 1 0.850 0.002 . 2 . . . . 74 LEU QD2 . 16870 1 557 . 1 1 50 50 LEU HD22 H 1 0.850 0.002 . 2 . . . . 74 LEU QD2 . 16870 1 558 . 1 1 50 50 LEU HD23 H 1 0.850 0.002 . 2 . . . . 74 LEU QD2 . 16870 1 559 . 1 1 50 50 LEU HG H 1 1.832 0.001 . 1 . . . . 74 LEU HG . 16870 1 560 . 1 1 50 50 LEU CA C 13 57.811 0.020 . 1 . . . . 74 LEU CA . 16870 1 561 . 1 1 50 50 LEU CB C 13 42.646 0.032 . 1 . . . . 74 LEU CB . 16870 1 562 . 1 1 50 50 LEU CD1 C 13 23.617 0.056 . 2 . . . . 74 LEU CD1 . 16870 1 563 . 1 1 50 50 LEU CD2 C 13 25.254 0.021 . 2 . . . . 74 LEU CD2 . 16870 1 564 . 1 1 50 50 LEU CG C 13 26.956 0.049 . 1 . . . . 74 LEU CG . 16870 1 565 . 1 1 50 50 LEU N N 15 119.602 0.003 . 1 . . . . 74 LEU N . 16870 1 566 . 1 1 51 51 LEU H H 1 8.360 0.005 . 1 . . . . 75 LEU H . 16870 1 567 . 1 1 51 51 LEU HA H 1 3.855 0.004 . 1 . . . . 75 LEU HA . 16870 1 568 . 1 1 51 51 LEU HB2 H 1 1.930 0.003 . 2 . . . . 75 LEU HB2 . 16870 1 569 . 1 1 51 51 LEU HB3 H 1 1.404 0.003 . 2 . . . . 75 LEU HB3 . 16870 1 570 . 1 1 51 51 LEU HD11 H 1 0.848 0.002 . 2 . . . . 75 LEU QD1 . 16870 1 571 . 1 1 51 51 LEU HD12 H 1 0.848 0.002 . 2 . . . . 75 LEU QD1 . 16870 1 572 . 1 1 51 51 LEU HD13 H 1 0.848 0.002 . 2 . . . . 75 LEU QD1 . 16870 1 573 . 1 1 51 51 LEU HD21 H 1 0.754 0.006 . 2 . . . . 75 LEU QD2 . 16870 1 574 . 1 1 51 51 LEU HD22 H 1 0.754 0.006 . 2 . . . . 75 LEU QD2 . 16870 1 575 . 1 1 51 51 LEU HD23 H 1 0.754 0.006 . 2 . . . . 75 LEU QD2 . 16870 1 576 . 1 1 51 51 LEU HG H 1 1.836 0.004 . 1 . . . . 75 LEU HG . 16870 1 577 . 1 1 51 51 LEU CA C 13 57.790 0.026 . 1 . . . . 75 LEU CA . 16870 1 578 . 1 1 51 51 LEU CB C 13 41.964 0.010 . 1 . . . . 75 LEU CB . 16870 1 579 . 1 1 51 51 LEU CD1 C 13 26.357 0.000 . 2 . . . . 75 LEU CD1 . 16870 1 580 . 1 1 51 51 LEU CD2 C 13 24.479 0.008 . 2 . . . . 75 LEU CD2 . 16870 1 581 . 1 1 51 51 LEU CG C 13 26.880 0.000 . 1 . . . . 75 LEU CG . 16870 1 582 . 1 1 51 51 LEU N N 15 117.370 0.002 . 1 . . . . 75 LEU N . 16870 1 583 . 1 1 52 52 GLU H H 1 7.769 0.004 . 1 . . . . 76 GLU H . 16870 1 584 . 1 1 52 52 GLU HA H 1 4.065 0.003 . 1 . . . . 76 GLU HA . 16870 1 585 . 1 1 52 52 GLU HB2 H 1 2.104 0.004 . 1 . . . . 76 GLU HB2 . 16870 1 586 . 1 1 52 52 GLU HB3 H 1 2.179 0.004 . 1 . . . . 76 GLU HB3 . 16870 1 587 . 1 1 52 52 GLU HG2 H 1 2.412 0.001 . 2 . . . . 76 GLU HG2 . 16870 1 588 . 1 1 52 52 GLU HG3 H 1 2.318 0.000 . 2 . . . . 76 GLU HG3 . 16870 1 589 . 1 1 52 52 GLU CA C 13 58.990 0.000 . 1 . . . . 76 GLU CA . 16870 1 590 . 1 1 52 52 GLU CB C 13 29.463 0.043 . 1 . . . . 76 GLU CB . 16870 1 591 . 1 1 52 52 GLU CG C 13 35.935 0.035 . 1 . . . . 76 GLU CG . 16870 1 592 . 1 1 52 52 GLU N N 15 117.474 0.003 . 1 . . . . 76 GLU N . 16870 1 593 . 1 1 53 53 ARG H H 1 7.602 0.005 . 1 . . . . 77 ARG H . 16870 1 594 . 1 1 53 53 ARG HA H 1 4.406 0.004 . 1 . . . . 77 ARG HA . 16870 1 595 . 1 1 53 53 ARG HB2 H 1 1.968 0.002 . 2 . . . . 77 ARG HB2 . 16870 1 596 . 1 1 53 53 ARG HB3 H 1 1.811 0.000 . 2 . . . . 77 ARG HB3 . 16870 1 597 . 1 1 53 53 ARG HD2 H 1 3.172 0.003 . 1 . . . . 77 ARG QD . 16870 1 598 . 1 1 53 53 ARG HD3 H 1 3.172 0.003 . 1 . . . . 77 ARG QD . 16870 1 599 . 1 1 53 53 ARG HE H 1 7.481 0.000 . 1 . . . . 77 ARG HE . 16870 1 600 . 1 1 53 53 ARG HG2 H 1 1.742 0.000 . 1 . . . . 77 ARG QG . 16870 1 601 . 1 1 53 53 ARG HG3 H 1 1.742 0.000 . 1 . . . . 77 ARG QG . 16870 1 602 . 1 1 53 53 ARG CA C 13 55.739 0.015 . 1 . . . . 77 ARG CA . 16870 1 603 . 1 1 53 53 ARG CB C 13 30.979 0.002 . 1 . . . . 77 ARG CB . 16870 1 604 . 1 1 53 53 ARG CD C 13 43.423 0.000 . 1 . . . . 77 ARG CD . 16870 1 605 . 1 1 53 53 ARG CG C 13 27.180 0.000 . 1 . . . . 77 ARG CG . 16870 1 606 . 1 1 53 53 ARG N N 15 115.078 0.003 . 1 . . . . 77 ARG N . 16870 1 607 . 1 1 54 54 ALA H H 1 7.636 0.005 . 1 . . . . 78 ALA H . 16870 1 608 . 1 1 54 54 ALA HA H 1 4.089 0.001 . 1 . . . . 78 ALA HA . 16870 1 609 . 1 1 54 54 ALA HB1 H 1 1.375 0.002 . 1 . . . . 78 ALA QB . 16870 1 610 . 1 1 54 54 ALA HB2 H 1 1.375 0.002 . 1 . . . . 78 ALA QB . 16870 1 611 . 1 1 54 54 ALA HB3 H 1 1.375 0.002 . 1 . . . . 78 ALA QB . 16870 1 612 . 1 1 54 54 ALA CA C 13 53.648 0.008 . 1 . . . . 78 ALA CA . 16870 1 613 . 1 1 54 54 ALA CB C 13 18.439 0.042 . 1 . . . . 78 ALA CB . 16870 1 614 . 1 1 54 54 ALA N N 15 122.878 0.004 . 1 . . . . 78 ALA N . 16870 1 615 . 1 1 55 55 GLU H H 1 9.059 0.004 . 1 . . . . 79 GLU H . 16870 1 616 . 1 1 55 55 GLU HA H 1 4.454 0.005 . 1 . . . . 79 GLU HA . 16870 1 617 . 1 1 55 55 GLU HB2 H 1 2.219 0.001 . 2 . . . . 79 GLU HB2 . 16870 1 618 . 1 1 55 55 GLU HB3 H 1 1.999 0.003 . 2 . . . . 79 GLU HB3 . 16870 1 619 . 1 1 55 55 GLU HG2 H 1 2.368 0.007 . 2 . . . . 79 GLU HG2 . 16870 1 620 . 1 1 55 55 GLU HG3 H 1 2.259 0.004 . 2 . . . . 79 GLU HG3 . 16870 1 621 . 1 1 55 55 GLU CA C 13 56.207 0.025 . 1 . . . . 79 GLU CA . 16870 1 622 . 1 1 55 55 GLU CB C 13 30.692 0.057 . 1 . . . . 79 GLU CB . 16870 1 623 . 1 1 55 55 GLU CG C 13 36.123 0.020 . 1 . . . . 79 GLU CG . 16870 1 624 . 1 1 55 55 GLU N N 15 120.471 0.003 . 1 . . . . 79 GLU N . 16870 1 625 . 1 1 56 56 SER H H 1 7.527 0.003 . 1 . . . . 80 SER H . 16870 1 626 . 1 1 56 56 SER HA H 1 4.861 0.005 . 1 . . . . 80 SER HA . 16870 1 627 . 1 1 56 56 SER HB2 H 1 4.314 0.002 . 2 . . . . 80 SER HB2 . 16870 1 628 . 1 1 56 56 SER HB3 H 1 3.966 0.002 . 2 . . . . 80 SER HB3 . 16870 1 629 . 1 1 56 56 SER CA C 13 55.919 0.016 . 1 . . . . 80 SER CA . 16870 1 630 . 1 1 56 56 SER CB C 13 66.547 0.037 . 1 . . . . 80 SER CB . 16870 1 631 . 1 1 56 56 SER N N 15 111.623 0.019 . 1 . . . . 80 SER N . 16870 1 632 . 1 1 57 57 VAL H H 1 9.088 0.003 . 1 . . . . 81 VAL H . 16870 1 633 . 1 1 57 57 VAL HA H 1 3.682 0.005 . 1 . . . . 81 VAL HA . 16870 1 634 . 1 1 57 57 VAL HB H 1 2.133 0.004 . 1 . . . . 81 VAL HB . 16870 1 635 . 1 1 57 57 VAL HG11 H 1 1.025 0.006 . 1 . . . . 81 VAL QG1 . 16870 1 636 . 1 1 57 57 VAL HG12 H 1 1.025 0.006 . 1 . . . . 81 VAL QG1 . 16870 1 637 . 1 1 57 57 VAL HG13 H 1 1.025 0.006 . 1 . . . . 81 VAL QG1 . 16870 1 638 . 1 1 57 57 VAL HG21 H 1 1.088 0.004 . 1 . . . . 81 VAL QG2 . 16870 1 639 . 1 1 57 57 VAL HG22 H 1 1.088 0.004 . 1 . . . . 81 VAL QG2 . 16870 1 640 . 1 1 57 57 VAL HG23 H 1 1.088 0.004 . 1 . . . . 81 VAL QG2 . 16870 1 641 . 1 1 57 57 VAL CA C 13 66.336 0.036 . 1 . . . . 81 VAL CA . 16870 1 642 . 1 1 57 57 VAL CB C 13 31.743 0.018 . 1 . . . . 81 VAL CB . 16870 1 643 . 1 1 57 57 VAL CG1 C 13 21.443 0.049 . 1 . . . . 81 VAL CG1 . 16870 1 644 . 1 1 57 57 VAL CG2 C 13 22.323 0.019 . 1 . . . . 81 VAL CG2 . 16870 1 645 . 1 1 57 57 VAL N N 15 121.945 0.003 . 1 . . . . 81 VAL N . 16870 1 646 . 1 1 58 58 GLU H H 1 9.023 0.006 . 1 . . . . 82 GLU H . 16870 1 647 . 1 1 58 58 GLU HA H 1 4.099 0.005 . 1 . . . . 82 GLU HA . 16870 1 648 . 1 1 58 58 GLU HB2 H 1 2.110 0.004 . 2 . . . . 82 GLU HB2 . 16870 1 649 . 1 1 58 58 GLU HB3 H 1 1.991 0.002 . 2 . . . . 82 GLU HB3 . 16870 1 650 . 1 1 58 58 GLU HG2 H 1 2.446 0.003 . 2 . . . . 82 GLU HG2 . 16870 1 651 . 1 1 58 58 GLU HG3 H 1 2.335 0.006 . 2 . . . . 82 GLU HG3 . 16870 1 652 . 1 1 58 58 GLU CA C 13 60.611 0.010 . 1 . . . . 82 GLU CA . 16870 1 653 . 1 1 58 58 GLU CB C 13 28.674 0.038 . 1 . . . . 82 GLU CB . 16870 1 654 . 1 1 58 58 GLU CG C 13 36.858 0.012 . 1 . . . . 82 GLU CG . 16870 1 655 . 1 1 58 58 GLU N N 15 120.822 0.001 . 1 . . . . 82 GLU N . 16870 1 656 . 1 1 59 59 ARG H H 1 7.678 0.006 . 1 . . . . 83 ARG H . 16870 1 657 . 1 1 59 59 ARG HA H 1 4.331 0.006 . 1 . . . . 83 ARG HA . 16870 1 658 . 1 1 59 59 ARG HB2 H 1 1.992 0.005 . 1 . . . . 83 ARG QB . 16870 1 659 . 1 1 59 59 ARG HB3 H 1 1.992 0.005 . 1 . . . . 83 ARG QB . 16870 1 660 . 1 1 59 59 ARG HD2 H 1 3.286 0.002 . 1 . . . . 83 ARG QD . 16870 1 661 . 1 1 59 59 ARG HD3 H 1 3.286 0.002 . 1 . . . . 83 ARG QD . 16870 1 662 . 1 1 59 59 ARG HG2 H 1 1.907 0.004 . 2 . . . . 83 ARG HG2 . 16870 1 663 . 1 1 59 59 ARG HG3 H 1 1.810 0.002 . 2 . . . . 83 ARG HG3 . 16870 1 664 . 1 1 59 59 ARG CA C 13 58.040 0.000 . 1 . . . . 83 ARG CA . 16870 1 665 . 1 1 59 59 ARG CB C 13 30.350 0.000 . 1 . . . . 83 ARG CB . 16870 1 666 . 1 1 59 59 ARG CD C 13 43.074 0.000 . 1 . . . . 83 ARG CD . 16870 1 667 . 1 1 59 59 ARG CG C 13 27.050 0.000 . 1 . . . . 83 ARG CG . 16870 1 668 . 1 1 59 59 ARG N N 15 118.853 0.003 . 1 . . . . 83 ARG N . 16870 1 669 . 1 1 60 60 LEU H H 1 7.866 0.004 . 1 . . . . 84 LEU H . 16870 1 670 . 1 1 60 60 LEU HA H 1 4.012 0.003 . 1 . . . . 84 LEU HA . 16870 1 671 . 1 1 60 60 LEU HB2 H 1 1.934 0.003 . 1 . . . . 84 LEU HB2 . 16870 1 672 . 1 1 60 60 LEU HB3 H 1 1.561 0.004 . 1 . . . . 84 LEU HB3 . 16870 1 673 . 1 1 60 60 LEU HD11 H 1 0.851 0.000 . 2 . . . . 84 LEU QD1 . 16870 1 674 . 1 1 60 60 LEU HD12 H 1 0.851 0.000 . 2 . . . . 84 LEU QD1 . 16870 1 675 . 1 1 60 60 LEU HD13 H 1 0.851 0.000 . 2 . . . . 84 LEU QD1 . 16870 1 676 . 1 1 60 60 LEU HD21 H 1 0.779 0.003 . 2 . . . . 84 LEU QD2 . 16870 1 677 . 1 1 60 60 LEU HD22 H 1 0.779 0.003 . 2 . . . . 84 LEU QD2 . 16870 1 678 . 1 1 60 60 LEU HD23 H 1 0.779 0.003 . 2 . . . . 84 LEU QD2 . 16870 1 679 . 1 1 60 60 LEU HG H 1 1.751 0.001 . 1 . . . . 84 LEU HG . 16870 1 680 . 1 1 60 60 LEU CA C 13 57.530 0.000 . 1 . . . . 84 LEU CA . 16870 1 681 . 1 1 60 60 LEU CB C 13 41.043 0.054 . 1 . . . . 84 LEU CB . 16870 1 682 . 1 1 60 60 LEU CD1 C 13 23.587 0.000 . 2 . . . . 84 LEU CD1 . 16870 1 683 . 1 1 60 60 LEU CD2 C 13 23.560 0.104 . 2 . . . . 84 LEU CD2 . 16870 1 684 . 1 1 60 60 LEU CG C 13 26.532 0.000 . 1 . . . . 84 LEU CG . 16870 1 685 . 1 1 60 60 LEU N N 15 119.944 0.005 . 1 . . . . 84 LEU N . 16870 1 686 . 1 1 61 61 GLU H H 1 8.369 0.004 . 1 . . . . 85 GLU H . 16870 1 687 . 1 1 61 61 GLU HA H 1 4.215 0.003 . 1 . . . . 85 GLU HA . 16870 1 688 . 1 1 61 61 GLU HB2 H 1 2.143 0.005 . 1 . . . . 85 GLU QB . 16870 1 689 . 1 1 61 61 GLU HB3 H 1 2.143 0.005 . 1 . . . . 85 GLU QB . 16870 1 690 . 1 1 61 61 GLU HG2 H 1 2.449 0.002 . 2 . . . . 85 GLU HG2 . 16870 1 691 . 1 1 61 61 GLU HG3 H 1 2.401 0.002 . 2 . . . . 85 GLU HG3 . 16870 1 692 . 1 1 61 61 GLU CA C 13 58.840 0.000 . 1 . . . . 85 GLU CA . 16870 1 693 . 1 1 61 61 GLU CB C 13 28.607 0.000 . 1 . . . . 85 GLU CB . 16870 1 694 . 1 1 61 61 GLU CG C 13 36.013 0.003 . 1 . . . . 85 GLU CG . 16870 1 695 . 1 1 61 61 GLU N N 15 119.671 0.021 . 1 . . . . 85 GLU N . 16870 1 696 . 1 1 62 62 GLU H H 1 7.743 0.004 . 1 . . . . 86 GLU H . 16870 1 697 . 1 1 62 62 GLU HA H 1 4.165 0.001 . 1 . . . . 86 GLU HA . 16870 1 698 . 1 1 62 62 GLU HB2 H 1 2.192 0.000 . 1 . . . . 86 GLU QB . 16870 1 699 . 1 1 62 62 GLU HB3 H 1 2.192 0.000 . 1 . . . . 86 GLU QB . 16870 1 700 . 1 1 62 62 GLU HG2 H 1 2.460 0.004 . 2 . . . . 86 GLU HG2 . 16870 1 701 . 1 1 62 62 GLU HG3 H 1 2.400 0.000 . 2 . . . . 86 GLU HG3 . 16870 1 702 . 1 1 62 62 GLU CA C 13 59.323 0.000 . 1 . . . . 86 GLU CA . 16870 1 703 . 1 1 62 62 GLU CB C 13 28.960 0.046 . 1 . . . . 86 GLU CB . 16870 1 704 . 1 1 62 62 GLU CG C 13 36.143 0.043 . 1 . . . . 86 GLU CG . 16870 1 705 . 1 1 62 62 GLU N N 15 121.548 0.003 . 1 . . . . 86 GLU N . 16870 1 706 . 1 1 63 63 ALA H H 1 7.863 0.003 . 1 . . . . 87 ALA H . 16870 1 707 . 1 1 63 63 ALA HA H 1 3.904 0.002 . 1 . . . . 87 ALA HA . 16870 1 708 . 1 1 63 63 ALA HB1 H 1 1.501 0.002 . 1 . . . . 87 ALA QB . 16870 1 709 . 1 1 63 63 ALA HB2 H 1 1.501 0.002 . 1 . . . . 87 ALA QB . 16870 1 710 . 1 1 63 63 ALA HB3 H 1 1.501 0.002 . 1 . . . . 87 ALA QB . 16870 1 711 . 1 1 63 63 ALA CA C 13 55.553 0.025 . 1 . . . . 87 ALA CA . 16870 1 712 . 1 1 63 63 ALA CB C 13 17.776 0.039 . 1 . . . . 87 ALA CB . 16870 1 713 . 1 1 63 63 ALA N N 15 121.630 0.001 . 1 . . . . 87 ALA N . 16870 1 714 . 1 1 64 64 ALA H H 1 8.514 0.004 . 1 . . . . 88 ALA H . 16870 1 715 . 1 1 64 64 ALA HA H 1 3.948 0.004 . 1 . . . . 88 ALA HA . 16870 1 716 . 1 1 64 64 ALA HB1 H 1 1.576 0.003 . 1 . . . . 88 ALA QB . 16870 1 717 . 1 1 64 64 ALA HB2 H 1 1.576 0.003 . 1 . . . . 88 ALA QB . 16870 1 718 . 1 1 64 64 ALA HB3 H 1 1.576 0.003 . 1 . . . . 88 ALA QB . 16870 1 719 . 1 1 64 64 ALA CA C 13 55.550 0.003 . 1 . . . . 88 ALA CA . 16870 1 720 . 1 1 64 64 ALA CB C 13 18.337 0.012 . 1 . . . . 88 ALA CB . 16870 1 721 . 1 1 64 64 ALA N N 15 120.076 0.001 . 1 . . . . 88 ALA N . 16870 1 722 . 1 1 65 65 SER H H 1 8.259 0.005 . 1 . . . . 89 SER H . 16870 1 723 . 1 1 65 65 SER HA H 1 4.300 0.005 . 1 . . . . 89 SER HA . 16870 1 724 . 1 1 65 65 SER HB2 H 1 4.058 0.003 . 1 . . . . 89 SER QB . 16870 1 725 . 1 1 65 65 SER HB3 H 1 4.058 0.003 . 1 . . . . 89 SER QB . 16870 1 726 . 1 1 65 65 SER CA C 13 61.640 0.029 . 1 . . . . 89 SER CA . 16870 1 727 . 1 1 65 65 SER CB C 13 62.682 0.011 . 1 . . . . 89 SER CB . 16870 1 728 . 1 1 65 65 SER N N 15 115.346 0.014 . 1 . . . . 89 SER N . 16870 1 729 . 1 1 66 66 ARG H H 1 8.215 0.008 . 1 . . . . 90 ARG H . 16870 1 730 . 1 1 66 66 ARG HA H 1 4.240 0.004 . 1 . . . . 90 ARG HA . 16870 1 731 . 1 1 66 66 ARG HB2 H 1 1.884 0.001 . 1 . . . . 90 ARG QB . 16870 1 732 . 1 1 66 66 ARG HB3 H 1 1.884 0.001 . 1 . . . . 90 ARG QB . 16870 1 733 . 1 1 66 66 ARG HD2 H 1 3.217 0.002 . 1 . . . . 90 ARG QD . 16870 1 734 . 1 1 66 66 ARG HD3 H 1 3.217 0.002 . 1 . . . . 90 ARG QD . 16870 1 735 . 1 1 66 66 ARG HG2 H 1 1.642 0.001 . 1 . . . . 90 ARG HG2 . 16870 1 736 . 1 1 66 66 ARG HG3 H 1 1.681 0.004 . 1 . . . . 90 ARG HG3 . 16870 1 737 . 1 1 66 66 ARG CA C 13 58.697 0.034 . 1 . . . . 90 ARG CA . 16870 1 738 . 1 1 66 66 ARG CB C 13 30.466 0.055 . 1 . . . . 90 ARG CB . 16870 1 739 . 1 1 66 66 ARG CD C 13 43.434 0.000 . 1 . . . . 90 ARG CD . 16870 1 740 . 1 1 66 66 ARG CG C 13 27.170 0.000 . 1 . . . . 90 ARG CG . 16870 1 741 . 1 1 66 66 ARG N N 15 122.930 0.001 . 1 . . . . 90 ARG N . 16870 1 742 . 1 1 67 67 LEU H H 1 8.706 0.003 . 1 . . . . 91 LEU H . 16870 1 743 . 1 1 67 67 LEU HA H 1 4.071 0.005 . 1 . . . . 91 LEU HA . 16870 1 744 . 1 1 67 67 LEU HB2 H 1 1.832 0.003 . 1 . . . . 91 LEU QB . 16870 1 745 . 1 1 67 67 LEU HB3 H 1 1.832 0.003 . 1 . . . . 91 LEU QB . 16870 1 746 . 1 1 67 67 LEU HD11 H 1 0.935 0.000 . 1 . . . . 91 LEU QD1 . 16870 1 747 . 1 1 67 67 LEU HD12 H 1 0.935 0.000 . 1 . . . . 91 LEU QD1 . 16870 1 748 . 1 1 67 67 LEU HD13 H 1 0.935 0.000 . 1 . . . . 91 LEU QD1 . 16870 1 749 . 1 1 67 67 LEU HD21 H 1 0.905 0.002 . 1 . . . . 91 LEU QD2 . 16870 1 750 . 1 1 67 67 LEU HD22 H 1 0.905 0.002 . 1 . . . . 91 LEU QD2 . 16870 1 751 . 1 1 67 67 LEU HD23 H 1 0.905 0.002 . 1 . . . . 91 LEU QD2 . 16870 1 752 . 1 1 67 67 LEU HG H 1 1.833 0.002 . 1 . . . . 91 LEU HG . 16870 1 753 . 1 1 67 67 LEU CA C 13 58.477 0.024 . 1 . . . . 91 LEU CA . 16870 1 754 . 1 1 67 67 LEU CB C 13 41.276 0.000 . 1 . . . . 91 LEU CB . 16870 1 755 . 1 1 67 67 LEU CD1 C 13 25.710 0.043 . 1 . . . . 91 LEU CD1 . 16870 1 756 . 1 1 67 67 LEU CD2 C 13 25.765 0.000 . 1 . . . . 91 LEU CD2 . 16870 1 757 . 1 1 67 67 LEU CG C 13 27.354 0.030 . 1 . . . . 91 LEU CG . 16870 1 758 . 1 1 67 67 LEU N N 15 122.792 0.004 . 1 . . . . 91 LEU N . 16870 1 759 . 1 1 68 68 GLN H H 1 8.053 0.006 . 1 . . . . 92 GLN H . 16870 1 760 . 1 1 68 68 GLN HA H 1 4.188 0.003 . 1 . . . . 92 GLN HA . 16870 1 761 . 1 1 68 68 GLN HB2 H 1 2.337 0.003 . 2 . . . . 92 GLN HB2 . 16870 1 762 . 1 1 68 68 GLN HB3 H 1 2.246 0.003 . 2 . . . . 92 GLN HB3 . 16870 1 763 . 1 1 68 68 GLN HE21 H 1 7.462 0.001 . 2 . . . . 92 GLN HE21 . 16870 1 764 . 1 1 68 68 GLN HE22 H 1 6.908 0.005 . 2 . . . . 92 GLN HE22 . 16870 1 765 . 1 1 68 68 GLN HG2 H 1 2.560 0.003 . 2 . . . . 92 GLN HG2 . 16870 1 766 . 1 1 68 68 GLN HG3 H 1 2.475 0.002 . 2 . . . . 92 GLN HG3 . 16870 1 767 . 1 1 68 68 GLN CA C 13 59.150 0.000 . 1 . . . . 92 GLN CA . 16870 1 768 . 1 1 68 68 GLN CB C 13 27.840 0.000 . 1 . . . . 92 GLN CB . 16870 1 769 . 1 1 68 68 GLN CG C 13 34.024 0.004 . 1 . . . . 92 GLN CG . 16870 1 770 . 1 1 68 68 GLN N N 15 120.411 0.026 . 1 . . . . 92 GLN N . 16870 1 771 . 1 1 69 69 GLY H H 1 7.965 0.004 . 1 . . . . 93 GLY H . 16870 1 772 . 1 1 69 69 GLY HA2 H 1 3.970 0.003 . 1 . . . . 93 GLY QA . 16870 1 773 . 1 1 69 69 GLY HA3 H 1 3.970 0.003 . 1 . . . . 93 GLY QA . 16870 1 774 . 1 1 69 69 GLY CA C 13 47.143 0.000 . 1 . . . . 93 GLY CA . 16870 1 775 . 1 1 69 69 GLY N N 15 107.609 0.010 . 1 . . . . 93 GLY N . 16870 1 776 . 1 1 70 70 LEU H H 1 7.889 0.008 . 1 . . . . 94 LEU H . 16870 1 777 . 1 1 70 70 LEU HA H 1 4.233 0.005 . 1 . . . . 94 LEU HA . 16870 1 778 . 1 1 70 70 LEU HB2 H 1 1.991 0.004 . 2 . . . . 94 LEU HB2 . 16870 1 779 . 1 1 70 70 LEU HB3 H 1 1.633 0.006 . 2 . . . . 94 LEU HB3 . 16870 1 780 . 1 1 70 70 LEU HD11 H 1 0.541 0.005 . 2 . . . . 94 LEU QD1 . 16870 1 781 . 1 1 70 70 LEU HD12 H 1 0.541 0.005 . 2 . . . . 94 LEU QD1 . 16870 1 782 . 1 1 70 70 LEU HD13 H 1 0.541 0.005 . 2 . . . . 94 LEU QD1 . 16870 1 783 . 1 1 70 70 LEU HD21 H 1 0.490 0.004 . 2 . . . . 94 LEU QD2 . 16870 1 784 . 1 1 70 70 LEU HD22 H 1 0.490 0.004 . 2 . . . . 94 LEU QD2 . 16870 1 785 . 1 1 70 70 LEU HD23 H 1 0.490 0.004 . 2 . . . . 94 LEU QD2 . 16870 1 786 . 1 1 70 70 LEU HG H 1 1.684 0.001 . 1 . . . . 94 LEU HG . 16870 1 787 . 1 1 70 70 LEU CA C 13 57.672 0.000 . 1 . . . . 94 LEU CA . 16870 1 788 . 1 1 70 70 LEU CB C 13 42.693 0.022 . 1 . . . . 94 LEU CB . 16870 1 789 . 1 1 70 70 LEU CD1 C 13 24.858 0.012 . 2 . . . . 94 LEU CD1 . 16870 1 790 . 1 1 70 70 LEU CD2 C 13 23.886 0.039 . 2 . . . . 94 LEU CD2 . 16870 1 791 . 1 1 70 70 LEU CG C 13 26.788 0.000 . 1 . . . . 94 LEU CG . 16870 1 792 . 1 1 70 70 LEU N N 15 124.701 0.002 . 1 . . . . 94 LEU N . 16870 1 793 . 1 1 71 71 GLN H H 1 8.129 0.004 . 1 . . . . 95 GLN H . 16870 1 794 . 1 1 71 71 GLN HA H 1 4.015 0.007 . 1 . . . . 95 GLN HA . 16870 1 795 . 1 1 71 71 GLN HB2 H 1 2.302 0.007 . 2 . . . . 95 GLN HB2 . 16870 1 796 . 1 1 71 71 GLN HB3 H 1 2.200 0.004 . 2 . . . . 95 GLN HB3 . 16870 1 797 . 1 1 71 71 GLN HE21 H 1 7.585 0.002 . 2 . . . . 95 GLN HE21 . 16870 1 798 . 1 1 71 71 GLN HE22 H 1 6.876 0.005 . 2 . . . . 95 GLN HE22 . 16870 1 799 . 1 1 71 71 GLN HG2 H 1 2.393 0.006 . 1 . . . . 95 GLN QG . 16870 1 800 . 1 1 71 71 GLN HG3 H 1 2.393 0.006 . 1 . . . . 95 GLN QG . 16870 1 801 . 1 1 71 71 GLN CA C 13 58.687 0.000 . 1 . . . . 95 GLN CA . 16870 1 802 . 1 1 71 71 GLN CB C 13 28.640 0.000 . 1 . . . . 95 GLN CB . 16870 1 803 . 1 1 71 71 GLN CG C 13 34.125 0.060 . 1 . . . . 95 GLN CG . 16870 1 804 . 1 1 71 71 GLN N N 15 119.442 0.006 . 1 . . . . 95 GLN N . 16870 1 805 . 1 1 72 72 LYS H H 1 7.967 0.008 . 1 . . . . 96 LYS H . 16870 1 806 . 1 1 72 72 LYS HA H 1 4.087 0.004 . 1 . . . . 96 LYS HA . 16870 1 807 . 1 1 72 72 LYS HB2 H 1 2.065 0.003 . 2 . . . . 96 LYS HB2 . 16870 1 808 . 1 1 72 72 LYS HB3 H 1 1.955 0.004 . 2 . . . . 96 LYS HB3 . 16870 1 809 . 1 1 72 72 LYS HD2 H 1 1.791 0.000 . 2 . . . . 96 LYS HD2 . 16870 1 810 . 1 1 72 72 LYS HD3 H 1 1.701 0.000 . 2 . . . . 96 LYS HD3 . 16870 1 811 . 1 1 72 72 LYS HE2 H 1 3.088 0.001 . 1 . . . . 96 LYS QE . 16870 1 812 . 1 1 72 72 LYS HE3 H 1 3.088 0.001 . 1 . . . . 96 LYS QE . 16870 1 813 . 1 1 72 72 LYS HG2 H 1 1.578 0.002 . 2 . . . . 96 LYS HG2 . 16870 1 814 . 1 1 72 72 LYS HG3 H 1 1.505 0.004 . 2 . . . . 96 LYS HG3 . 16870 1 815 . 1 1 72 72 LYS CA C 13 59.600 0.000 . 1 . . . . 96 LYS CA . 16870 1 816 . 1 1 72 72 LYS CB C 13 32.331 0.019 . 1 . . . . 96 LYS CB . 16870 1 817 . 1 1 72 72 LYS CD C 13 29.213 0.067 . 1 . . . . 96 LYS CD . 16870 1 818 . 1 1 72 72 LYS CE C 13 42.528 0.069 . 1 . . . . 96 LYS CE . 16870 1 819 . 1 1 72 72 LYS CG C 13 25.154 0.026 . 1 . . . . 96 LYS CG . 16870 1 820 . 1 1 72 72 LYS N N 15 120.556 0.021 . 1 . . . . 96 LYS N . 16870 1 821 . 1 1 73 73 LEU H H 1 7.874 0.008 . 1 . . . . 97 LEU H . 16870 1 822 . 1 1 73 73 LEU HA H 1 4.392 0.005 . 1 . . . . 97 LEU HA . 16870 1 823 . 1 1 73 73 LEU HB2 H 1 2.221 0.003 . 1 . . . . 97 LEU HB2 . 16870 1 824 . 1 1 73 73 LEU HB3 H 1 1.914 0.004 . 1 . . . . 97 LEU HB3 . 16870 1 825 . 1 1 73 73 LEU HD11 H 1 1.147 0.006 . 2 . . . . 97 LEU QD1 . 16870 1 826 . 1 1 73 73 LEU HD12 H 1 1.147 0.006 . 2 . . . . 97 LEU QD1 . 16870 1 827 . 1 1 73 73 LEU HD13 H 1 1.147 0.006 . 2 . . . . 97 LEU QD1 . 16870 1 828 . 1 1 73 73 LEU HD21 H 1 0.948 0.005 . 2 . . . . 97 LEU QD2 . 16870 1 829 . 1 1 73 73 LEU HD22 H 1 0.948 0.005 . 2 . . . . 97 LEU QD2 . 16870 1 830 . 1 1 73 73 LEU HD23 H 1 0.948 0.005 . 2 . . . . 97 LEU QD2 . 16870 1 831 . 1 1 73 73 LEU HG H 1 1.908 0.000 . 1 . . . . 97 LEU HG . 16870 1 832 . 1 1 73 73 LEU CA C 13 58.336 0.072 . 1 . . . . 97 LEU CA . 16870 1 833 . 1 1 73 73 LEU CB C 13 42.106 0.044 . 1 . . . . 97 LEU CB . 16870 1 834 . 1 1 73 73 LEU CD1 C 13 23.848 0.005 . 2 . . . . 97 LEU CD1 . 16870 1 835 . 1 1 73 73 LEU CD2 C 13 25.753 0.051 . 2 . . . . 97 LEU CD2 . 16870 1 836 . 1 1 73 73 LEU CG C 13 27.316 0.105 . 1 . . . . 97 LEU CG . 16870 1 837 . 1 1 73 73 LEU N N 15 119.444 0.004 . 1 . . . . 97 LEU N . 16870 1 838 . 1 1 74 74 ILE H H 1 8.132 0.008 . 1 . . . . 98 ILE H . 16870 1 839 . 1 1 74 74 ILE HA H 1 3.673 0.006 . 1 . . . . 98 ILE HA . 16870 1 840 . 1 1 74 74 ILE HB H 1 2.002 0.001 . 1 . . . . 98 ILE HB . 16870 1 841 . 1 1 74 74 ILE HD11 H 1 0.771 0.006 . 1 . . . . 98 ILE QD1 . 16870 1 842 . 1 1 74 74 ILE HD12 H 1 0.771 0.006 . 1 . . . . 98 ILE QD1 . 16870 1 843 . 1 1 74 74 ILE HD13 H 1 0.771 0.006 . 1 . . . . 98 ILE QD1 . 16870 1 844 . 1 1 74 74 ILE HG12 H 1 1.818 0.005 . 2 . . . . 98 ILE HG12 . 16870 1 845 . 1 1 74 74 ILE HG13 H 1 1.066 0.006 . 2 . . . . 98 ILE HG13 . 16870 1 846 . 1 1 74 74 ILE HG21 H 1 0.867 0.002 . 1 . . . . 98 ILE QG2 . 16870 1 847 . 1 1 74 74 ILE HG22 H 1 0.867 0.002 . 1 . . . . 98 ILE QG2 . 16870 1 848 . 1 1 74 74 ILE HG23 H 1 0.867 0.002 . 1 . . . . 98 ILE QG2 . 16870 1 849 . 1 1 74 74 ILE CA C 13 65.691 0.001 . 1 . . . . 98 ILE CA . 16870 1 850 . 1 1 74 74 ILE CB C 13 37.672 0.030 . 1 . . . . 98 ILE CB . 16870 1 851 . 1 1 74 74 ILE CD1 C 13 13.452 0.015 . 1 . . . . 98 ILE CD1 . 16870 1 852 . 1 1 74 74 ILE CG1 C 13 29.755 0.015 . 1 . . . . 98 ILE CG1 . 16870 1 853 . 1 1 74 74 ILE CG2 C 13 17.014 0.008 . 1 . . . . 98 ILE CG2 . 16870 1 854 . 1 1 74 74 ILE N N 15 119.109 0.008 . 1 . . . . 98 ILE N . 16870 1 855 . 1 1 75 75 ASN H H 1 8.216 0.004 . 1 . . . . 99 ASN H . 16870 1 856 . 1 1 75 75 ASN HA H 1 4.380 0.003 . 1 . . . . 99 ASN HA . 16870 1 857 . 1 1 75 75 ASN HB2 H 1 3.013 0.006 . 2 . . . . 99 ASN HB2 . 16870 1 858 . 1 1 75 75 ASN HB3 H 1 2.908 0.004 . 2 . . . . 99 ASN HB3 . 16870 1 859 . 1 1 75 75 ASN HD21 H 1 6.947 0.003 . 1 . . . . 99 ASN HD21 . 16870 1 860 . 1 1 75 75 ASN HD22 H 1 7.676 0.003 . 1 . . . . 99 ASN HD22 . 16870 1 861 . 1 1 75 75 ASN CA C 13 56.150 0.005 . 1 . . . . 99 ASN CA . 16870 1 862 . 1 1 75 75 ASN CB C 13 37.891 0.033 . 1 . . . . 99 ASN CB . 16870 1 863 . 1 1 75 75 ASN N N 15 119.627 0.008 . 1 . . . . 99 ASN N . 16870 1 864 . 1 1 76 76 ASP H H 1 8.837 0.007 . 1 . . . . 100 ASP H . 16870 1 865 . 1 1 76 76 ASP HA H 1 4.652 0.005 . 1 . . . . 100 ASP HA . 16870 1 866 . 1 1 76 76 ASP HB2 H 1 2.958 0.004 . 2 . . . . 100 ASP HB2 . 16870 1 867 . 1 1 76 76 ASP HB3 H 1 2.897 0.005 . 2 . . . . 100 ASP HB3 . 16870 1 868 . 1 1 76 76 ASP CA C 13 56.341 0.060 . 1 . . . . 100 ASP CA . 16870 1 869 . 1 1 76 76 ASP CB C 13 40.798 0.057 . 1 . . . . 100 ASP CB . 16870 1 870 . 1 1 76 76 ASP N N 15 119.034 0.002 . 1 . . . . 100 ASP N . 16870 1 871 . 1 1 77 77 SER H H 1 7.720 0.004 . 1 . . . . 101 SER H . 16870 1 872 . 1 1 77 77 SER HA H 1 4.373 0.005 . 1 . . . . 101 SER HA . 16870 1 873 . 1 1 77 77 SER HB2 H 1 3.407 0.003 . 1 . . . . 101 SER QB . 16870 1 874 . 1 1 77 77 SER HB3 H 1 3.407 0.003 . 1 . . . . 101 SER QB . 16870 1 875 . 1 1 77 77 SER CA C 13 58.874 0.000 . 1 . . . . 101 SER CA . 16870 1 876 . 1 1 77 77 SER CB C 13 63.619 0.039 . 1 . . . . 101 SER CB . 16870 1 877 . 1 1 77 77 SER N N 15 114.302 0.002 . 1 . . . . 101 SER N . 16870 1 878 . 1 1 78 78 VAL H H 1 7.095 0.006 . 1 . . . . 102 VAL H . 16870 1 879 . 1 1 78 78 VAL HA H 1 3.407 0.002 . 1 . . . . 102 VAL HA . 16870 1 880 . 1 1 78 78 VAL HB H 1 1.985 0.003 . 1 . . . . 102 VAL HB . 16870 1 881 . 1 1 78 78 VAL HG11 H 1 0.871 0.001 . 1 . . . . 102 VAL QG1 . 16870 1 882 . 1 1 78 78 VAL HG12 H 1 0.871 0.001 . 1 . . . . 102 VAL QG1 . 16870 1 883 . 1 1 78 78 VAL HG13 H 1 0.871 0.001 . 1 . . . . 102 VAL QG1 . 16870 1 884 . 1 1 78 78 VAL HG21 H 1 0.756 0.004 . 1 . . . . 102 VAL QG2 . 16870 1 885 . 1 1 78 78 VAL HG22 H 1 0.756 0.004 . 1 . . . . 102 VAL QG2 . 16870 1 886 . 1 1 78 78 VAL HG23 H 1 0.756 0.004 . 1 . . . . 102 VAL QG2 . 16870 1 887 . 1 1 78 78 VAL CA C 13 65.433 0.039 . 1 . . . . 102 VAL CA . 16870 1 888 . 1 1 78 78 VAL CB C 13 31.964 0.031 . 1 . . . . 102 VAL CB . 16870 1 889 . 1 1 78 78 VAL CG1 C 13 21.274 0.020 . 1 . . . . 102 VAL CG1 . 16870 1 890 . 1 1 78 78 VAL CG2 C 13 20.736 0.006 . 1 . . . . 102 VAL CG2 . 16870 1 891 . 1 1 78 78 VAL N N 15 119.116 0.001 . 1 . . . . 102 VAL N . 16870 1 892 . 1 1 79 79 PHE H H 1 7.654 0.008 . 1 . . . . 103 PHE H . 16870 1 893 . 1 1 79 79 PHE HA H 1 4.398 0.002 . 1 . . . . 103 PHE HA . 16870 1 894 . 1 1 79 79 PHE HB2 H 1 3.036 0.007 . 1 . . . . 103 PHE HB2 . 16870 1 895 . 1 1 79 79 PHE HB3 H 1 2.868 0.005 . 1 . . . . 103 PHE HB3 . 16870 1 896 . 1 1 79 79 PHE HD1 H 1 7.224 0.004 . 1 . . . . 103 PHE QD . 16870 1 897 . 1 1 79 79 PHE HD2 H 1 7.224 0.004 . 1 . . . . 103 PHE QD . 16870 1 898 . 1 1 79 79 PHE HE1 H 1 7.439 0.004 . 1 . . . . 103 PHE QE . 16870 1 899 . 1 1 79 79 PHE HE2 H 1 7.439 0.004 . 1 . . . . 103 PHE QE . 16870 1 900 . 1 1 79 79 PHE HZ H 1 7.353 0.002 . 1 . . . . 103 PHE HZ . 16870 1 901 . 1 1 79 79 PHE CA C 13 58.965 0.005 . 1 . . . . 103 PHE CA . 16870 1 902 . 1 1 79 79 PHE CB C 13 38.400 0.050 . 1 . . . . 103 PHE CB . 16870 1 903 . 1 1 79 79 PHE CD1 C 13 131.808 0.000 . 1 . . . . 103 PHE CD1 . 16870 1 904 . 1 1 79 79 PHE CD2 C 13 131.808 0.000 . 1 . . . . 103 PHE CD2 . 16870 1 905 . 1 1 79 79 PHE CE1 C 13 131.960 0.000 . 1 . . . . 103 PHE CE1 . 16870 1 906 . 1 1 79 79 PHE CE2 C 13 131.960 0.000 . 1 . . . . 103 PHE CE2 . 16870 1 907 . 1 1 79 79 PHE N N 15 115.361 0.003 . 1 . . . . 103 PHE N . 16870 1 908 . 1 1 80 80 PHE H H 1 7.271 0.009 . 1 . . . . 104 PHE H . 16870 1 909 . 1 1 80 80 PHE HA H 1 4.917 0.005 . 1 . . . . 104 PHE HA . 16870 1 910 . 1 1 80 80 PHE HB2 H 1 3.125 0.005 . 2 . . . . 104 PHE HB2 . 16870 1 911 . 1 1 80 80 PHE HB3 H 1 2.850 0.002 . 2 . . . . 104 PHE HB3 . 16870 1 912 . 1 1 80 80 PHE HD1 H 1 6.901 0.002 . 1 . . . . 104 PHE QD . 16870 1 913 . 1 1 80 80 PHE HD2 H 1 6.901 0.002 . 1 . . . . 104 PHE QD . 16870 1 914 . 1 1 80 80 PHE HE1 H 1 7.333 0.002 . 1 . . . . 104 PHE QE . 16870 1 915 . 1 1 80 80 PHE HE2 H 1 7.333 0.002 . 1 . . . . 104 PHE QE . 16870 1 916 . 1 1 80 80 PHE HZ H 1 7.353 0.000 . 1 . . . . 104 PHE HZ . 16870 1 917 . 1 1 80 80 PHE CA C 13 56.614 0.022 . 1 . . . . 104 PHE CA . 16870 1 918 . 1 1 80 80 PHE CB C 13 40.416 0.040 . 1 . . . . 104 PHE CB . 16870 1 919 . 1 1 80 80 PHE CD1 C 13 132.059 0.000 . 1 . . . . 104 PHE CD1 . 16870 1 920 . 1 1 80 80 PHE CD2 C 13 132.059 0.000 . 1 . . . . 104 PHE CD2 . 16870 1 921 . 1 1 80 80 PHE CE1 C 13 131.670 0.000 . 1 . . . . 104 PHE CE1 . 16870 1 922 . 1 1 80 80 PHE CE2 C 13 131.670 0.000 . 1 . . . . 104 PHE CE2 . 16870 1 923 . 1 1 80 80 PHE N N 15 114.166 0.005 . 1 . . . . 104 PHE N . 16870 1 924 . 1 1 81 81 LEU H H 1 6.943 0.005 . 1 . . . . 105 LEU H . 16870 1 925 . 1 1 81 81 LEU HA H 1 4.377 0.004 . 1 . . . . 105 LEU HA . 16870 1 926 . 1 1 81 81 LEU HB2 H 1 1.266 0.007 . 1 . . . . 105 LEU HB2 . 16870 1 927 . 1 1 81 81 LEU HB3 H 1 1.170 0.003 . 1 . . . . 105 LEU HB3 . 16870 1 928 . 1 1 81 81 LEU HD11 H 1 0.091 0.004 . 1 . . . . 105 LEU QD1 . 16870 1 929 . 1 1 81 81 LEU HD12 H 1 0.091 0.004 . 1 . . . . 105 LEU QD1 . 16870 1 930 . 1 1 81 81 LEU HD13 H 1 0.091 0.004 . 1 . . . . 105 LEU QD1 . 16870 1 931 . 1 1 81 81 LEU HD21 H 1 0.457 0.005 . 1 . . . . 105 LEU QD2 . 16870 1 932 . 1 1 81 81 LEU HD22 H 1 0.457 0.005 . 1 . . . . 105 LEU QD2 . 16870 1 933 . 1 1 81 81 LEU HD23 H 1 0.457 0.005 . 1 . . . . 105 LEU QD2 . 16870 1 934 . 1 1 81 81 LEU HG H 1 1.233 0.006 . 1 . . . . 105 LEU HG . 16870 1 935 . 1 1 81 81 LEU CA C 13 54.433 0.031 . 1 . . . . 105 LEU CA . 16870 1 936 . 1 1 81 81 LEU CB C 13 43.800 0.023 . 1 . . . . 105 LEU CB . 16870 1 937 . 1 1 81 81 LEU CD1 C 13 25.137 0.032 . 1 . . . . 105 LEU CD1 . 16870 1 938 . 1 1 81 81 LEU CD2 C 13 23.202 0.011 . 1 . . . . 105 LEU CD2 . 16870 1 939 . 1 1 81 81 LEU CG C 13 25.725 0.029 . 1 . . . . 105 LEU CG . 16870 1 940 . 1 1 81 81 LEU N N 15 122.227 0.002 . 1 . . . . 105 LEU N . 16870 1 941 . 1 1 82 82 ALA H H 1 9.059 0.006 . 1 . . . . 106 ALA H . 16870 1 942 . 1 1 82 82 ALA HA H 1 4.323 0.003 . 1 . . . . 106 ALA HA . 16870 1 943 . 1 1 82 82 ALA HB1 H 1 1.515 0.004 . 1 . . . . 106 ALA QB . 16870 1 944 . 1 1 82 82 ALA HB2 H 1 1.515 0.004 . 1 . . . . 106 ALA QB . 16870 1 945 . 1 1 82 82 ALA HB3 H 1 1.515 0.004 . 1 . . . . 106 ALA QB . 16870 1 946 . 1 1 82 82 ALA CA C 13 51.650 0.018 . 1 . . . . 106 ALA CA . 16870 1 947 . 1 1 82 82 ALA CB C 13 18.888 0.042 . 1 . . . . 106 ALA CB . 16870 1 948 . 1 1 82 82 ALA N N 15 125.556 0.002 . 1 . . . . 106 ALA N . 16870 1 949 . 1 1 83 83 ALA H H 1 8.734 0.007 . 1 . . . . 107 ALA H . 16870 1 950 . 1 1 83 83 ALA HA H 1 3.944 0.003 . 1 . . . . 107 ALA HA . 16870 1 951 . 1 1 83 83 ALA HB1 H 1 1.468 0.005 . 1 . . . . 107 ALA QB . 16870 1 952 . 1 1 83 83 ALA HB2 H 1 1.468 0.005 . 1 . . . . 107 ALA QB . 16870 1 953 . 1 1 83 83 ALA HB3 H 1 1.468 0.005 . 1 . . . . 107 ALA QB . 16870 1 954 . 1 1 83 83 ALA CA C 13 55.782 0.047 . 1 . . . . 107 ALA CA . 16870 1 955 . 1 1 83 83 ALA CB C 13 18.259 0.024 . 1 . . . . 107 ALA CB . 16870 1 956 . 1 1 83 83 ALA N N 15 124.600 0.001 . 1 . . . . 107 ALA N . 16870 1 957 . 1 1 84 84 TYR H H 1 8.572 0.003 . 1 . . . . 108 TYR H . 16870 1 958 . 1 1 84 84 TYR HA H 1 4.169 0.003 . 1 . . . . 108 TYR HA . 16870 1 959 . 1 1 84 84 TYR HB2 H 1 3.188 0.006 . 2 . . . . 108 TYR HB2 . 16870 1 960 . 1 1 84 84 TYR HB3 H 1 2.789 0.003 . 2 . . . . 108 TYR HB3 . 16870 1 961 . 1 1 84 84 TYR HD1 H 1 7.120 0.002 . 1 . . . . 108 TYR QD . 16870 1 962 . 1 1 84 84 TYR HD2 H 1 7.120 0.002 . 1 . . . . 108 TYR QD . 16870 1 963 . 1 1 84 84 TYR HE1 H 1 6.811 0.003 . 1 . . . . 108 TYR QE . 16870 1 964 . 1 1 84 84 TYR HE2 H 1 6.811 0.003 . 1 . . . . 108 TYR QE . 16870 1 965 . 1 1 84 84 TYR CA C 13 61.099 0.038 . 1 . . . . 108 TYR CA . 16870 1 966 . 1 1 84 84 TYR CB C 13 38.578 0.021 . 1 . . . . 108 TYR CB . 16870 1 967 . 1 1 84 84 TYR CD1 C 13 133.528 0.000 . 1 . . . . 108 TYR CD1 . 16870 1 968 . 1 1 84 84 TYR CD2 C 13 133.528 0.000 . 1 . . . . 108 TYR CD2 . 16870 1 969 . 1 1 84 84 TYR CE1 C 13 118.455 0.000 . 1 . . . . 108 TYR CE1 . 16870 1 970 . 1 1 84 84 TYR CE2 C 13 118.455 0.000 . 1 . . . . 108 TYR CE2 . 16870 1 971 . 1 1 84 84 TYR N N 15 116.197 0.003 . 1 . . . . 108 TYR N . 16870 1 972 . 1 1 85 85 ASP H H 1 6.874 0.004 . 1 . . . . 109 ASP H . 16870 1 973 . 1 1 85 85 ASP HA H 1 4.369 0.002 . 1 . . . . 109 ASP HA . 16870 1 974 . 1 1 85 85 ASP HB2 H 1 2.518 0.002 . 1 . . . . 109 ASP HB2 . 16870 1 975 . 1 1 85 85 ASP HB3 H 1 2.572 0.003 . 1 . . . . 109 ASP HB3 . 16870 1 976 . 1 1 85 85 ASP CA C 13 57.105 0.013 . 1 . . . . 109 ASP CA . 16870 1 977 . 1 1 85 85 ASP CB C 13 41.351 0.024 . 1 . . . . 109 ASP CB . 16870 1 978 . 1 1 85 85 ASP N N 15 118.760 0.003 . 1 . . . . 109 ASP N . 16870 1 979 . 1 1 86 86 LEU H H 1 8.117 0.007 . 1 . . . . 110 LEU H . 16870 1 980 . 1 1 86 86 LEU HA H 1 3.780 0.004 . 1 . . . . 110 LEU HA . 16870 1 981 . 1 1 86 86 LEU HB2 H 1 1.741 0.005 . 2 . . . . 110 LEU HB2 . 16870 1 982 . 1 1 86 86 LEU HB3 H 1 1.313 0.006 . 2 . . . . 110 LEU HB3 . 16870 1 983 . 1 1 86 86 LEU HD11 H 1 0.809 0.004 . 2 . . . . 110 LEU QD1 . 16870 1 984 . 1 1 86 86 LEU HD12 H 1 0.809 0.004 . 2 . . . . 110 LEU QD1 . 16870 1 985 . 1 1 86 86 LEU HD13 H 1 0.809 0.004 . 2 . . . . 110 LEU QD1 . 16870 1 986 . 1 1 86 86 LEU HD21 H 1 0.742 0.002 . 2 . . . . 110 LEU QD2 . 16870 1 987 . 1 1 86 86 LEU HD22 H 1 0.742 0.002 . 2 . . . . 110 LEU QD2 . 16870 1 988 . 1 1 86 86 LEU HD23 H 1 0.742 0.002 . 2 . . . . 110 LEU QD2 . 16870 1 989 . 1 1 86 86 LEU HG H 1 1.365 0.003 . 1 . . . . 110 LEU HG . 16870 1 990 . 1 1 86 86 LEU CA C 13 58.156 0.021 . 1 . . . . 110 LEU CA . 16870 1 991 . 1 1 86 86 LEU CB C 13 41.470 0.019 . 1 . . . . 110 LEU CB . 16870 1 992 . 1 1 86 86 LEU CD1 C 13 25.516 0.012 . 2 . . . . 110 LEU CD1 . 16870 1 993 . 1 1 86 86 LEU CD2 C 13 24.476 0.014 . 2 . . . . 110 LEU CD2 . 16870 1 994 . 1 1 86 86 LEU CG C 13 27.240 0.057 . 1 . . . . 110 LEU CG . 16870 1 995 . 1 1 86 86 LEU N N 15 121.936 0.005 . 1 . . . . 110 LEU N . 16870 1 996 . 1 1 87 87 ARG H H 1 8.081 0.004 . 1 . . . . 111 ARG H . 16870 1 997 . 1 1 87 87 ARG HA H 1 4.088 0.002 . 1 . . . . 111 ARG HA . 16870 1 998 . 1 1 87 87 ARG HB2 H 1 1.860 0.002 . 1 . . . . 111 ARG QB . 16870 1 999 . 1 1 87 87 ARG HB3 H 1 1.860 0.002 . 1 . . . . 111 ARG QB . 16870 1 1000 . 1 1 87 87 ARG HD2 H 1 3.215 0.000 . 1 . . . . 111 ARG QD . 16870 1 1001 . 1 1 87 87 ARG HD3 H 1 3.215 0.000 . 1 . . . . 111 ARG QD . 16870 1 1002 . 1 1 87 87 ARG CA C 13 59.360 0.000 . 1 . . . . 111 ARG CA . 16870 1 1003 . 1 1 87 87 ARG CB C 13 29.753 0.000 . 1 . . . . 111 ARG CB . 16870 1 1004 . 1 1 87 87 ARG CD C 13 43.480 0.000 . 1 . . . . 111 ARG CD . 16870 1 1005 . 1 1 87 87 ARG N N 15 118.606 0.004 . 1 . . . . 111 ARG N . 16870 1 1006 . 1 1 88 88 GLN H H 1 7.937 0.005 . 1 . . . . 112 GLN H . 16870 1 1007 . 1 1 88 88 GLN HA H 1 3.950 0.005 . 1 . . . . 112 GLN HA . 16870 1 1008 . 1 1 88 88 GLN HB2 H 1 2.030 0.001 . 1 . . . . 112 GLN QB . 16870 1 1009 . 1 1 88 88 GLN HB3 H 1 2.030 0.001 . 1 . . . . 112 GLN QB . 16870 1 1010 . 1 1 88 88 GLN HE21 H 1 7.017 0.003 . 2 . . . . 112 GLN HE21 . 16870 1 1011 . 1 1 88 88 GLN HE22 H 1 6.823 0.008 . 2 . . . . 112 GLN HE22 . 16870 1 1012 . 1 1 88 88 GLN HG2 H 1 2.222 0.002 . 2 . . . . 112 GLN HG2 . 16870 1 1013 . 1 1 88 88 GLN HG3 H 1 2.032 0.004 . 2 . . . . 112 GLN HG3 . 16870 1 1014 . 1 1 88 88 GLN CA C 13 58.946 0.102 . 1 . . . . 112 GLN CA . 16870 1 1015 . 1 1 88 88 GLN CB C 13 28.470 0.000 . 1 . . . . 112 GLN CB . 16870 1 1016 . 1 1 88 88 GLN CG C 13 34.111 0.021 . 1 . . . . 112 GLN CG . 16870 1 1017 . 1 1 88 88 GLN N N 15 116.867 0.001 . 1 . . . . 112 GLN N . 16870 1 1018 . 1 1 89 89 GLY H H 1 8.076 0.006 . 1 . . . . 113 GLY H . 16870 1 1019 . 1 1 89 89 GLY HA2 H 1 3.635 0.006 . 1 . . . . 113 GLY HA2 . 16870 1 1020 . 1 1 89 89 GLY HA3 H 1 3.196 0.005 . 1 . . . . 113 GLY HA3 . 16870 1 1021 . 1 1 89 89 GLY CA C 13 47.061 0.043 . 1 . . . . 113 GLY CA . 16870 1 1022 . 1 1 89 89 GLY N N 15 108.523 0.002 . 1 . . . . 113 GLY N . 16870 1 1023 . 1 1 90 90 GLN H H 1 8.640 0.004 . 1 . . . . 114 GLN H . 16870 1 1024 . 1 1 90 90 GLN HA H 1 4.026 0.005 . 1 . . . . 114 GLN HA . 16870 1 1025 . 1 1 90 90 GLN HB2 H 1 2.322 0.001 . 1 . . . . 114 GLN HB2 . 16870 1 1026 . 1 1 90 90 GLN HB3 H 1 2.033 0.002 . 1 . . . . 114 GLN HB3 . 16870 1 1027 . 1 1 90 90 GLN HE21 H 1 7.248 0.008 . 2 . . . . 114 GLN HE21 . 16870 1 1028 . 1 1 90 90 GLN HE22 H 1 6.973 0.004 . 2 . . . . 114 GLN HE22 . 16870 1 1029 . 1 1 90 90 GLN HG2 H 1 2.537 0.004 . 2 . . . . 114 GLN HG2 . 16870 1 1030 . 1 1 90 90 GLN HG3 H 1 2.381 0.007 . 2 . . . . 114 GLN HG3 . 16870 1 1031 . 1 1 90 90 GLN CA C 13 59.431 0.033 . 1 . . . . 114 GLN CA . 16870 1 1032 . 1 1 90 90 GLN CB C 13 28.368 0.064 . 1 . . . . 114 GLN CB . 16870 1 1033 . 1 1 90 90 GLN CG C 13 34.184 0.035 . 1 . . . . 114 GLN CG . 16870 1 1034 . 1 1 90 90 GLN N N 15 121.177 0.002 . 1 . . . . 114 GLN N . 16870 1 1035 . 1 1 91 91 GLU H H 1 8.611 0.006 . 1 . . . . 115 GLU H . 16870 1 1036 . 1 1 91 91 GLU HA H 1 4.097 0.002 . 1 . . . . 115 GLU HA . 16870 1 1037 . 1 1 91 91 GLU HB2 H 1 2.117 0.004 . 2 . . . . 115 GLU HB2 . 16870 1 1038 . 1 1 91 91 GLU HB3 H 1 2.042 0.003 . 2 . . . . 115 GLU HB3 . 16870 1 1039 . 1 1 91 91 GLU HG2 H 1 2.505 0.002 . 2 . . . . 115 GLU HG2 . 16870 1 1040 . 1 1 91 91 GLU HG3 H 1 2.268 0.002 . 2 . . . . 115 GLU HG3 . 16870 1 1041 . 1 1 91 91 GLU CA C 13 59.406 0.000 . 1 . . . . 115 GLU CA . 16870 1 1042 . 1 1 91 91 GLU CB C 13 29.240 0.000 . 1 . . . . 115 GLU CB . 16870 1 1043 . 1 1 91 91 GLU CG C 13 36.624 0.054 . 1 . . . . 115 GLU CG . 16870 1 1044 . 1 1 91 91 GLU N N 15 120.673 0.017 . 1 . . . . 115 GLU N . 16870 1 1045 . 1 1 92 92 ALA H H 1 7.999 0.003 . 1 . . . . 116 ALA H . 16870 1 1046 . 1 1 92 92 ALA HA H 1 4.206 0.001 . 1 . . . . 116 ALA HA . 16870 1 1047 . 1 1 92 92 ALA HB1 H 1 1.701 0.003 . 1 . . . . 116 ALA QB . 16870 1 1048 . 1 1 92 92 ALA HB2 H 1 1.701 0.003 . 1 . . . . 116 ALA QB . 16870 1 1049 . 1 1 92 92 ALA HB3 H 1 1.701 0.003 . 1 . . . . 116 ALA QB . 16870 1 1050 . 1 1 92 92 ALA CA C 13 55.210 0.000 . 1 . . . . 116 ALA CA . 16870 1 1051 . 1 1 92 92 ALA CB C 13 18.249 0.006 . 1 . . . . 116 ALA CB . 16870 1 1052 . 1 1 92 92 ALA N N 15 122.238 0.001 . 1 . . . . 116 ALA N . 16870 1 1053 . 1 1 93 93 LEU H H 1 8.410 0.003 . 1 . . . . 117 LEU H . 16870 1 1054 . 1 1 93 93 LEU HA H 1 4.093 0.004 . 1 . . . . 117 LEU HA . 16870 1 1055 . 1 1 93 93 LEU HB2 H 1 1.877 0.003 . 1 . . . . 117 LEU QB . 16870 1 1056 . 1 1 93 93 LEU HB3 H 1 1.877 0.003 . 1 . . . . 117 LEU QB . 16870 1 1057 . 1 1 93 93 LEU HD11 H 1 1.017 0.004 . 2 . . . . 117 LEU QD1 . 16870 1 1058 . 1 1 93 93 LEU HD12 H 1 1.017 0.004 . 2 . . . . 117 LEU QD1 . 16870 1 1059 . 1 1 93 93 LEU HD13 H 1 1.017 0.004 . 2 . . . . 117 LEU QD1 . 16870 1 1060 . 1 1 93 93 LEU HD21 H 1 0.936 0.003 . 2 . . . . 117 LEU QD2 . 16870 1 1061 . 1 1 93 93 LEU HD22 H 1 0.936 0.003 . 2 . . . . 117 LEU QD2 . 16870 1 1062 . 1 1 93 93 LEU HD23 H 1 0.936 0.003 . 2 . . . . 117 LEU QD2 . 16870 1 1063 . 1 1 93 93 LEU HG H 1 1.942 0.001 . 1 . . . . 117 LEU HG . 16870 1 1064 . 1 1 93 93 LEU CA C 13 58.260 0.000 . 1 . . . . 117 LEU CA . 16870 1 1065 . 1 1 93 93 LEU CB C 13 41.460 0.005 . 1 . . . . 117 LEU CB . 16870 1 1066 . 1 1 93 93 LEU CD1 C 13 25.714 0.022 . 2 . . . . 117 LEU CD1 . 16870 1 1067 . 1 1 93 93 LEU CD2 C 13 24.920 0.000 . 2 . . . . 117 LEU CD2 . 16870 1 1068 . 1 1 93 93 LEU CG C 13 27.059 0.000 . 1 . . . . 117 LEU CG . 16870 1 1069 . 1 1 93 93 LEU N N 15 118.734 0.008 . 1 . . . . 117 LEU N . 16870 1 1070 . 1 1 94 94 ALA H H 1 8.182 0.005 . 1 . . . . 118 ALA H . 16870 1 1071 . 1 1 94 94 ALA HA H 1 4.264 0.004 . 1 . . . . 118 ALA HA . 16870 1 1072 . 1 1 94 94 ALA HB1 H 1 1.567 0.003 . 1 . . . . 118 ALA QB . 16870 1 1073 . 1 1 94 94 ALA HB2 H 1 1.567 0.003 . 1 . . . . 118 ALA QB . 16870 1 1074 . 1 1 94 94 ALA HB3 H 1 1.567 0.003 . 1 . . . . 118 ALA QB . 16870 1 1075 . 1 1 94 94 ALA CA C 13 55.291 0.064 . 1 . . . . 118 ALA CA . 16870 1 1076 . 1 1 94 94 ALA CB C 13 17.697 0.000 . 1 . . . . 118 ALA CB . 16870 1 1077 . 1 1 94 94 ALA N N 15 121.901 0.017 . 1 . . . . 118 ALA N . 16870 1 1078 . 1 1 95 95 ARG H H 1 7.959 0.007 . 1 . . . . 119 ARG H . 16870 1 1079 . 1 1 95 95 ARG HA H 1 4.188 0.004 . 1 . . . . 119 ARG HA . 16870 1 1080 . 1 1 95 95 ARG HB2 H 1 2.041 0.003 . 2 . . . . 119 ARG HB2 . 16870 1 1081 . 1 1 95 95 ARG HB3 H 1 1.976 0.001 . 2 . . . . 119 ARG HB3 . 16870 1 1082 . 1 1 95 95 ARG HG2 H 1 1.885 0.003 . 1 . . . . 119 ARG QG . 16870 1 1083 . 1 1 95 95 ARG HG3 H 1 1.885 0.003 . 1 . . . . 119 ARG QG . 16870 1 1084 . 1 1 95 95 ARG CA C 13 59.482 0.040 . 1 . . . . 119 ARG CA . 16870 1 1085 . 1 1 95 95 ARG CB C 13 30.160 0.020 . 1 . . . . 119 ARG CB . 16870 1 1086 . 1 1 95 95 ARG CG C 13 27.795 0.043 . 1 . . . . 119 ARG CG . 16870 1 1087 . 1 1 95 95 ARG N N 15 119.150 0.002 . 1 . . . . 119 ARG N . 16870 1 1088 . 1 1 96 96 LEU H H 1 7.974 0.010 . 1 . . . . 120 LEU H . 16870 1 1089 . 1 1 96 96 LEU HA H 1 4.141 0.004 . 1 . . . . 120 LEU HA . 16870 1 1090 . 1 1 96 96 LEU HB2 H 1 2.111 0.002 . 2 . . . . 120 LEU HB2 . 16870 1 1091 . 1 1 96 96 LEU HB3 H 1 1.388 0.003 . 2 . . . . 120 LEU HB3 . 16870 1 1092 . 1 1 96 96 LEU HD11 H 1 0.893 0.005 . 2 . . . . 120 LEU QD1 . 16870 1 1093 . 1 1 96 96 LEU HD12 H 1 0.893 0.005 . 2 . . . . 120 LEU QD1 . 16870 1 1094 . 1 1 96 96 LEU HD13 H 1 0.893 0.005 . 2 . . . . 120 LEU QD1 . 16870 1 1095 . 1 1 96 96 LEU HD21 H 1 0.834 0.001 . 2 . . . . 120 LEU QD2 . 16870 1 1096 . 1 1 96 96 LEU HD22 H 1 0.834 0.001 . 2 . . . . 120 LEU QD2 . 16870 1 1097 . 1 1 96 96 LEU HD23 H 1 0.834 0.001 . 2 . . . . 120 LEU QD2 . 16870 1 1098 . 1 1 96 96 LEU HG H 1 1.942 0.003 . 1 . . . . 120 LEU HG . 16870 1 1099 . 1 1 96 96 LEU CA C 13 57.879 0.000 . 1 . . . . 120 LEU CA . 16870 1 1100 . 1 1 96 96 LEU CB C 13 42.648 0.045 . 1 . . . . 120 LEU CB . 16870 1 1101 . 1 1 96 96 LEU CD1 C 13 23.236 0.029 . 2 . . . . 120 LEU CD1 . 16870 1 1102 . 1 1 96 96 LEU CD2 C 13 25.607 0.066 . 2 . . . . 120 LEU CD2 . 16870 1 1103 . 1 1 96 96 LEU CG C 13 27.111 0.002 . 1 . . . . 120 LEU CG . 16870 1 1104 . 1 1 96 96 LEU N N 15 121.423 0.020 . 1 . . . . 120 LEU N . 16870 1 1105 . 1 1 97 97 GLN H H 1 8.795 0.006 . 1 . . . . 121 GLN H . 16870 1 1106 . 1 1 97 97 GLN HA H 1 3.958 0.004 . 1 . . . . 121 GLN HA . 16870 1 1107 . 1 1 97 97 GLN HB2 H 1 2.299 0.006 . 2 . . . . 121 GLN HB2 . 16870 1 1108 . 1 1 97 97 GLN HB3 H 1 2.111 0.002 . 2 . . . . 121 GLN HB3 . 16870 1 1109 . 1 1 97 97 GLN HE21 H 1 7.353 0.004 . 2 . . . . 121 GLN HE21 . 16870 1 1110 . 1 1 97 97 GLN HE22 H 1 6.787 0.005 . 2 . . . . 121 GLN HE22 . 16870 1 1111 . 1 1 97 97 GLN HG2 H 1 2.560 0.002 . 2 . . . . 121 GLN HG2 . 16870 1 1112 . 1 1 97 97 GLN HG3 H 1 2.450 0.002 . 2 . . . . 121 GLN HG3 . 16870 1 1113 . 1 1 97 97 GLN CA C 13 59.245 0.026 . 1 . . . . 121 GLN CA . 16870 1 1114 . 1 1 97 97 GLN CB C 13 28.154 0.021 . 1 . . . . 121 GLN CB . 16870 1 1115 . 1 1 97 97 GLN CG C 13 33.935 0.074 . 1 . . . . 121 GLN CG . 16870 1 1116 . 1 1 97 97 GLN N N 15 118.967 0.004 . 1 . . . . 121 GLN N . 16870 1 1117 . 1 1 98 98 ALA H H 1 7.966 0.002 . 1 . . . . 122 ALA H . 16870 1 1118 . 1 1 98 98 ALA HA H 1 4.264 0.003 . 1 . . . . 122 ALA HA . 16870 1 1119 . 1 1 98 98 ALA HB1 H 1 1.568 0.007 . 1 . . . . 122 ALA QB . 16870 1 1120 . 1 1 98 98 ALA HB2 H 1 1.568 0.007 . 1 . . . . 122 ALA QB . 16870 1 1121 . 1 1 98 98 ALA HB3 H 1 1.568 0.007 . 1 . . . . 122 ALA QB . 16870 1 1122 . 1 1 98 98 ALA CA C 13 55.060 0.000 . 1 . . . . 122 ALA CA . 16870 1 1123 . 1 1 98 98 ALA CB C 13 17.650 0.000 . 1 . . . . 122 ALA CB . 16870 1 1124 . 1 1 98 98 ALA N N 15 122.987 0.003 . 1 . . . . 122 ALA N . 16870 1 1125 . 1 1 99 99 ALA H H 1 8.008 0.005 . 1 . . . . 123 ALA H . 16870 1 1126 . 1 1 99 99 ALA HA H 1 4.248 0.001 . 1 . . . . 123 ALA HA . 16870 1 1127 . 1 1 99 99 ALA HB1 H 1 1.566 0.004 . 1 . . . . 123 ALA QB . 16870 1 1128 . 1 1 99 99 ALA HB2 H 1 1.566 0.004 . 1 . . . . 123 ALA QB . 16870 1 1129 . 1 1 99 99 ALA HB3 H 1 1.566 0.004 . 1 . . . . 123 ALA QB . 16870 1 1130 . 1 1 99 99 ALA CA C 13 55.029 0.066 . 1 . . . . 123 ALA CA . 16870 1 1131 . 1 1 99 99 ALA CB C 13 18.140 0.000 . 1 . . . . 123 ALA CB . 16870 1 1132 . 1 1 99 99 ALA N N 15 122.859 0.002 . 1 . . . . 123 ALA N . 16870 1 1133 . 1 1 100 100 LEU H H 1 8.537 0.004 . 1 . . . . 124 LEU H . 16870 1 1134 . 1 1 100 100 LEU HA H 1 3.961 0.004 . 1 . . . . 124 LEU HA . 16870 1 1135 . 1 1 100 100 LEU HB2 H 1 2.074 0.004 . 2 . . . . 124 LEU HB2 . 16870 1 1136 . 1 1 100 100 LEU HB3 H 1 1.473 0.005 . 2 . . . . 124 LEU HB3 . 16870 1 1137 . 1 1 100 100 LEU HD11 H 1 0.931 0.001 . 2 . . . . 124 LEU QD1 . 16870 1 1138 . 1 1 100 100 LEU HD12 H 1 0.931 0.001 . 2 . . . . 124 LEU QD1 . 16870 1 1139 . 1 1 100 100 LEU HD13 H 1 0.931 0.001 . 2 . . . . 124 LEU QD1 . 16870 1 1140 . 1 1 100 100 LEU HD21 H 1 0.946 0.000 . 2 . . . . 124 LEU QD2 . 16870 1 1141 . 1 1 100 100 LEU HD22 H 1 0.946 0.000 . 2 . . . . 124 LEU QD2 . 16870 1 1142 . 1 1 100 100 LEU HD23 H 1 0.946 0.000 . 2 . . . . 124 LEU QD2 . 16870 1 1143 . 1 1 100 100 LEU HG H 1 1.605 0.004 . 1 . . . . 124 LEU HG . 16870 1 1144 . 1 1 100 100 LEU CA C 13 58.922 0.040 . 1 . . . . 124 LEU CA . 16870 1 1145 . 1 1 100 100 LEU CB C 13 41.487 0.031 . 1 . . . . 124 LEU CB . 16870 1 1146 . 1 1 100 100 LEU CD1 C 13 24.828 0.002 . 2 . . . . 124 LEU CD1 . 16870 1 1147 . 1 1 100 100 LEU CD2 C 13 26.335 0.001 . 2 . . . . 124 LEU CD2 . 16870 1 1148 . 1 1 100 100 LEU CG C 13 27.670 0.000 . 1 . . . . 124 LEU CG . 16870 1 1149 . 1 1 100 100 LEU N N 15 121.113 0.001 . 1 . . . . 124 LEU N . 16870 1 1150 . 1 1 101 101 ALA H H 1 7.922 0.006 . 1 . . . . 125 ALA H . 16870 1 1151 . 1 1 101 101 ALA HA H 1 4.060 0.001 . 1 . . . . 125 ALA HA . 16870 1 1152 . 1 1 101 101 ALA HB1 H 1 1.558 0.002 . 1 . . . . 125 ALA QB . 16870 1 1153 . 1 1 101 101 ALA HB2 H 1 1.558 0.002 . 1 . . . . 125 ALA QB . 16870 1 1154 . 1 1 101 101 ALA HB3 H 1 1.558 0.002 . 1 . . . . 125 ALA QB . 16870 1 1155 . 1 1 101 101 ALA CA C 13 55.342 0.018 . 1 . . . . 125 ALA CA . 16870 1 1156 . 1 1 101 101 ALA CB C 13 17.842 0.037 . 1 . . . . 125 ALA CB . 16870 1 1157 . 1 1 101 101 ALA N N 15 120.849 0.002 . 1 . . . . 125 ALA N . 16870 1 1158 . 1 1 102 102 GLU H H 1 7.994 0.005 . 1 . . . . 126 GLU H . 16870 1 1159 . 1 1 102 102 GLU HA H 1 4.089 0.002 . 1 . . . . 126 GLU HA . 16870 1 1160 . 1 1 102 102 GLU HB2 H 1 2.157 0.004 . 1 . . . . 126 GLU QB . 16870 1 1161 . 1 1 102 102 GLU HB3 H 1 2.157 0.004 . 1 . . . . 126 GLU QB . 16870 1 1162 . 1 1 102 102 GLU HG2 H 1 2.344 0.001 . 1 . . . . 126 GLU QG . 16870 1 1163 . 1 1 102 102 GLU HG3 H 1 2.344 0.001 . 1 . . . . 126 GLU QG . 16870 1 1164 . 1 1 102 102 GLU CA C 13 59.070 0.000 . 1 . . . . 126 GLU CA . 16870 1 1165 . 1 1 102 102 GLU CB C 13 29.493 0.066 . 1 . . . . 126 GLU CB . 16870 1 1166 . 1 1 102 102 GLU CG C 13 35.911 0.000 . 1 . . . . 126 GLU CG . 16870 1 1167 . 1 1 102 102 GLU N N 15 118.549 0.001 . 1 . . . . 126 GLU N . 16870 1 1168 . 1 1 103 103 ARG H H 1 8.306 0.011 . 1 . . . . 127 ARG H . 16870 1 1169 . 1 1 103 103 ARG HA H 1 4.203 0.000 . 1 . . . . 127 ARG HA . 16870 1 1170 . 1 1 103 103 ARG CA C 13 57.619 0.088 . 1 . . . . 127 ARG CA . 16870 1 1171 . 1 1 103 103 ARG CB C 13 29.538 0.022 . 1 . . . . 127 ARG CB . 16870 1 1172 . 1 1 103 103 ARG N N 15 120.377 0.009 . 1 . . . . 127 ARG N . 16870 1 1173 . 1 1 104 104 ARG H H 1 8.486 0.004 . 1 . . . . 128 ARG H . 16870 1 1174 . 1 1 104 104 ARG HA H 1 3.800 0.007 . 1 . . . . 128 ARG HA . 16870 1 1175 . 1 1 104 104 ARG HB2 H 1 1.897 0.004 . 1 . . . . 128 ARG QB . 16870 1 1176 . 1 1 104 104 ARG HB3 H 1 1.897 0.004 . 1 . . . . 128 ARG QB . 16870 1 1177 . 1 1 104 104 ARG HD2 H 1 3.191 0.004 . 2 . . . . 128 ARG HD2 . 16870 1 1178 . 1 1 104 104 ARG HD3 H 1 3.144 0.004 . 2 . . . . 128 ARG HD3 . 16870 1 1179 . 1 1 104 104 ARG HG2 H 1 1.766 0.001 . 2 . . . . 128 ARG HG2 . 16870 1 1180 . 1 1 104 104 ARG HG3 H 1 1.603 0.002 . 2 . . . . 128 ARG HG3 . 16870 1 1181 . 1 1 104 104 ARG CA C 13 59.829 0.053 . 1 . . . . 128 ARG CA . 16870 1 1182 . 1 1 104 104 ARG CB C 13 30.373 0.048 . 1 . . . . 128 ARG CB . 16870 1 1183 . 1 1 104 104 ARG CD C 13 43.640 0.000 . 1 . . . . 128 ARG CD . 16870 1 1184 . 1 1 104 104 ARG CG C 13 28.351 0.003 . 1 . . . . 128 ARG CG . 16870 1 1185 . 1 1 104 104 ARG N N 15 118.351 0.001 . 1 . . . . 128 ARG N . 16870 1 1186 . 1 1 105 105 ARG H H 1 7.627 0.005 . 1 . . . . 129 ARG H . 16870 1 1187 . 1 1 105 105 ARG HA H 1 4.112 0.006 . 1 . . . . 129 ARG HA . 16870 1 1188 . 1 1 105 105 ARG HB2 H 1 1.946 0.004 . 1 . . . . 129 ARG QB . 16870 1 1189 . 1 1 105 105 ARG HB3 H 1 1.946 0.004 . 1 . . . . 129 ARG QB . 16870 1 1190 . 1 1 105 105 ARG HD2 H 1 3.254 0.001 . 1 . . . . 129 ARG QD . 16870 1 1191 . 1 1 105 105 ARG HD3 H 1 3.254 0.001 . 1 . . . . 129 ARG QD . 16870 1 1192 . 1 1 105 105 ARG HG2 H 1 1.821 0.001 . 2 . . . . 129 ARG HG2 . 16870 1 1193 . 1 1 105 105 ARG HG3 H 1 1.661 0.000 . 2 . . . . 129 ARG HG3 . 16870 1 1194 . 1 1 105 105 ARG CA C 13 59.020 0.000 . 1 . . . . 129 ARG CA . 16870 1 1195 . 1 1 105 105 ARG CB C 13 30.240 0.000 . 1 . . . . 129 ARG CB . 16870 1 1196 . 1 1 105 105 ARG CD C 13 43.533 0.056 . 1 . . . . 129 ARG CD . 16870 1 1197 . 1 1 105 105 ARG CG C 13 27.616 0.047 . 1 . . . . 129 ARG CG . 16870 1 1198 . 1 1 105 105 ARG N N 15 117.968 0.003 . 1 . . . . 129 ARG N . 16870 1 1199 . 1 1 106 106 GLY H H 1 7.818 0.004 . 1 . . . . 130 GLY H . 16870 1 1200 . 1 1 106 106 GLY HA2 H 1 4.081 0.002 . 2 . . . . 130 GLY HA2 . 16870 1 1201 . 1 1 106 106 GLY HA3 H 1 3.905 0.003 . 2 . . . . 130 GLY HA3 . 16870 1 1202 . 1 1 106 106 GLY CA C 13 45.939 0.038 . 1 . . . . 130 GLY CA . 16870 1 1203 . 1 1 106 106 GLY N N 15 105.465 0.003 . 1 . . . . 130 GLY N . 16870 1 1204 . 1 1 107 107 LEU H H 1 7.451 0.004 . 1 . . . . 131 LEU H . 16870 1 1205 . 1 1 107 107 LEU HA H 1 4.405 0.004 . 1 . . . . 131 LEU HA . 16870 1 1206 . 1 1 107 107 LEU HB2 H 1 1.650 0.002 . 2 . . . . 131 LEU HB2 . 16870 1 1207 . 1 1 107 107 LEU HB3 H 1 1.551 0.004 . 2 . . . . 131 LEU HB3 . 16870 1 1208 . 1 1 107 107 LEU HD11 H 1 0.727 0.004 . 1 . . . . 131 LEU QD1 . 16870 1 1209 . 1 1 107 107 LEU HD12 H 1 0.727 0.004 . 1 . . . . 131 LEU QD1 . 16870 1 1210 . 1 1 107 107 LEU HD13 H 1 0.727 0.004 . 1 . . . . 131 LEU QD1 . 16870 1 1211 . 1 1 107 107 LEU HD21 H 1 0.785 0.006 . 1 . . . . 131 LEU QD2 . 16870 1 1212 . 1 1 107 107 LEU HD22 H 1 0.785 0.006 . 1 . . . . 131 LEU QD2 . 16870 1 1213 . 1 1 107 107 LEU HD23 H 1 0.785 0.006 . 1 . . . . 131 LEU QD2 . 16870 1 1214 . 1 1 107 107 LEU HG H 1 1.695 0.003 . 1 . . . . 131 LEU HG . 16870 1 1215 . 1 1 107 107 LEU CA C 13 55.029 0.024 . 1 . . . . 131 LEU CA . 16870 1 1216 . 1 1 107 107 LEU CB C 13 42.866 0.017 . 1 . . . . 131 LEU CB . 16870 1 1217 . 1 1 107 107 LEU CD1 C 13 25.524 0.019 . 1 . . . . 131 LEU CD1 . 16870 1 1218 . 1 1 107 107 LEU CD2 C 13 23.330 0.038 . 1 . . . . 131 LEU CD2 . 16870 1 1219 . 1 1 107 107 LEU CG C 13 26.817 0.000 . 1 . . . . 131 LEU CG . 16870 1 1220 . 1 1 107 107 LEU N N 15 120.292 0.008 . 1 . . . . 131 LEU N . 16870 1 1221 . 1 1 108 108 GLN H H 1 7.915 0.004 . 1 . . . . 132 GLN H . 16870 1 1222 . 1 1 108 108 GLN HA H 1 4.580 0.004 . 1 . . . . 132 GLN HA . 16870 1 1223 . 1 1 108 108 GLN HB2 H 1 2.123 0.004 . 2 . . . . 132 GLN HB2 . 16870 1 1224 . 1 1 108 108 GLN HB3 H 1 2.027 0.003 . 2 . . . . 132 GLN HB3 . 16870 1 1225 . 1 1 108 108 GLN HE21 H 1 7.526 0.005 . 2 . . . . 132 GLN HE21 . 16870 1 1226 . 1 1 108 108 GLN HE22 H 1 6.911 0.005 . 2 . . . . 132 GLN HE22 . 16870 1 1227 . 1 1 108 108 GLN HG2 H 1 2.464 0.002 . 1 . . . . 132 GLN QG . 16870 1 1228 . 1 1 108 108 GLN HG3 H 1 2.464 0.002 . 1 . . . . 132 GLN QG . 16870 1 1229 . 1 1 108 108 GLN CA C 13 53.928 0.012 . 1 . . . . 132 GLN CA . 16870 1 1230 . 1 1 108 108 GLN CB C 13 29.063 0.070 . 1 . . . . 132 GLN CB . 16870 1 1231 . 1 1 108 108 GLN CG C 13 33.668 0.011 . 1 . . . . 132 GLN CG . 16870 1 1232 . 1 1 108 108 GLN N N 15 121.501 0.005 . 1 . . . . 132 GLN N . 16870 1 1233 . 1 1 109 109 PRO HA H 1 4.464 0.006 . 1 . . . . 133 PRO HA . 16870 1 1234 . 1 1 109 109 PRO HB2 H 1 2.347 0.004 . 2 . . . . 133 PRO HB2 . 16870 1 1235 . 1 1 109 109 PRO HB3 H 1 1.929 0.003 . 2 . . . . 133 PRO HB3 . 16870 1 1236 . 1 1 109 109 PRO HD2 H 1 3.808 0.003 . 2 . . . . 133 PRO HD2 . 16870 1 1237 . 1 1 109 109 PRO HD3 H 1 3.671 0.003 . 2 . . . . 133 PRO HD3 . 16870 1 1238 . 1 1 109 109 PRO HG2 H 1 2.053 0.004 . 1 . . . . 133 PRO QG . 16870 1 1239 . 1 1 109 109 PRO HG3 H 1 2.053 0.004 . 1 . . . . 133 PRO QG . 16870 1 1240 . 1 1 109 109 PRO CA C 13 63.216 0.016 . 1 . . . . 133 PRO CA . 16870 1 1241 . 1 1 109 109 PRO CB C 13 32.250 0.040 . 1 . . . . 133 PRO CB . 16870 1 1242 . 1 1 109 109 PRO CD C 13 50.688 0.011 . 1 . . . . 133 PRO CD . 16870 1 1243 . 1 1 109 109 PRO CG C 13 27.539 0.027 . 1 . . . . 133 PRO CG . 16870 1 1244 . 1 1 110 110 LYS H H 1 8.479 0.006 . 1 . . . . 134 LYS H . 16870 1 1245 . 1 1 110 110 LYS HA H 1 4.326 0.004 . 1 . . . . 134 LYS HA . 16870 1 1246 . 1 1 110 110 LYS HB2 H 1 1.881 0.002 . 2 . . . . 134 LYS HB2 . 16870 1 1247 . 1 1 110 110 LYS HB3 H 1 1.790 0.003 . 2 . . . . 134 LYS HB3 . 16870 1 1248 . 1 1 110 110 LYS HD2 H 1 1.712 0.000 . 1 . . . . 134 LYS QD . 16870 1 1249 . 1 1 110 110 LYS HD3 H 1 1.712 0.000 . 1 . . . . 134 LYS QD . 16870 1 1250 . 1 1 110 110 LYS HE2 H 1 3.046 0.000 . 1 . . . . 134 LYS QE . 16870 1 1251 . 1 1 110 110 LYS HE3 H 1 3.046 0.000 . 1 . . . . 134 LYS QE . 16870 1 1252 . 1 1 110 110 LYS HG2 H 1 1.529 0.000 . 2 . . . . 134 LYS HG2 . 16870 1 1253 . 1 1 110 110 LYS HG3 H 1 1.500 0.000 . 2 . . . . 134 LYS HG3 . 16870 1 1254 . 1 1 110 110 LYS CA C 13 56.362 0.022 . 1 . . . . 134 LYS CA . 16870 1 1255 . 1 1 110 110 LYS CB C 13 33.028 0.012 . 1 . . . . 134 LYS CB . 16870 1 1256 . 1 1 110 110 LYS CD C 13 29.130 0.000 . 1 . . . . 134 LYS CD . 16870 1 1257 . 1 1 110 110 LYS CE C 13 42.273 0.039 . 1 . . . . 134 LYS CE . 16870 1 1258 . 1 1 110 110 LYS CG C 13 24.830 0.000 . 1 . . . . 134 LYS CG . 16870 1 1259 . 1 1 110 110 LYS N N 15 122.547 0.010 . 1 . . . . 134 LYS N . 16870 1 1260 . 1 1 111 111 LYS H H 1 7.997 0.004 . 1 . . . . 135 LYS H . 16870 1 1261 . 1 1 111 111 LYS HA H 1 4.165 0.005 . 1 . . . . 135 LYS HA . 16870 1 1262 . 1 1 111 111 LYS HB2 H 1 1.836 0.000 . 2 . . . . 135 LYS HB2 . 16870 1 1263 . 1 1 111 111 LYS HB3 H 1 1.715 0.000 . 2 . . . . 135 LYS HB3 . 16870 1 1264 . 1 1 111 111 LYS HD2 H 1 1.690 0.002 . 1 . . . . 135 LYS QD . 16870 1 1265 . 1 1 111 111 LYS HD3 H 1 1.690 0.002 . 1 . . . . 135 LYS QD . 16870 1 1266 . 1 1 111 111 LYS HE2 H 1 2.976 0.001 . 1 . . . . 135 LYS QE . 16870 1 1267 . 1 1 111 111 LYS HE3 H 1 2.976 0.001 . 1 . . . . 135 LYS QE . 16870 1 1268 . 1 1 111 111 LYS HG2 H 1 1.414 0.000 . 1 . . . . 135 LYS QG . 16870 1 1269 . 1 1 111 111 LYS HG3 H 1 1.414 0.000 . 1 . . . . 135 LYS QG . 16870 1 1270 . 1 1 111 111 LYS CA C 13 57.660 0.000 . 1 . . . . 135 LYS CA . 16870 1 1271 . 1 1 111 111 LYS CB C 13 33.831 0.012 . 1 . . . . 135 LYS CB . 16870 1 1272 . 1 1 111 111 LYS CD C 13 29.200 0.000 . 1 . . . . 135 LYS CD . 16870 1 1273 . 1 1 111 111 LYS CE C 13 42.173 0.012 . 1 . . . . 135 LYS CE . 16870 1 1274 . 1 1 111 111 LYS CG C 13 25.006 0.000 . 1 . . . . 135 LYS CG . 16870 1 1275 . 1 1 111 111 LYS N N 15 128.334 0.002 . 1 . . . . 135 LYS N . 16870 1 stop_ save_