data_6221 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6221 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments of the Resuscitation Promoting Factor (Rpf) domain of M. tuberculosis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-05-27 _Entry.Accession_date 2004-05-28 _Entry.Last_release_date 2004-05-28 _Entry.Original_release_date 2004-05-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Studies of starved Micrococcus luteus has led to the identification of a secreted protein which resuscitated dormant cells allowing them to enter the cell cycle. This factor was named resuscitation promoting factor (Rpf) and was classified as the first bacterial cytokine (Mukamolova, Kaprelyants et al. 1998). Homologues of the rpf genes are widely distributed among the high G+C cohort of Gram-positive bacteria including the Mycobacterial pathogens M. tuberculosis and M. leprae (Mukamolova, Turapov et al. 2002). M. tuberculosis can spend many years dormant in human tissue so the mechanism of revival of dormant M. tuberculosis is of major medical interest. Knockout of the unique rpf gene in M. luteus has showed to be lethal (Mukamolova, Turapov et al. 2002) while in M. tuberculosis, which has five rpf genes, none of these individual genes was found to be essential suggesting a functional redundancy (Tufariello, Jacobs et al. 2004). However, in a genome wide transposon study the rpfB knockout caused slowing of growth (Sassetti, Boyd et al. 2003) and all five rpf homologues are expressed in M. tuberculosis obtained from extended-stationary-phase cultures suggesting the possibility that Rpf may play a role in the reactivation of quiescent bacilli. Recently, using sequence analysis and homology modelling, we predicted that the structure of the common domain of the Rpf proteins (~100 amino-acid) possess a lysozyme-like domain (Cohen-Gonsaud, Keep et al. 2004). ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Martin Cohen-Gonsaud . . . . 6221 2 Philippe Barthe . . . . 6221 3 Nicholas Keep . H. . . 6221 4 Christian Roumestand . . . . 6221 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6221 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 300 6221 '15N chemical shifts' 124 6221 '1H chemical shifts' 677 6221 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 . . 2004-12-16 . original BMRB . 6221 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6221 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15614636 _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C Chemical Shifts Assignments of the Resuscitation Promoting Factor domain of Rv1009 from Mycobacterium tuberculosis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 3 _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 373 _Citation.Page_last 374 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Martin Cohen-Gonsaud . . . . 6221 1 2 Philippe Barthe . . . . 6221 1 3 Francoise Pommier . . . . 6221 1 4 Richard Harris . . . . 6221 1 5 Paul Driscoll . C. . . 6221 1 6 Nicholas Keep . H. . . 6221 1 7 Christian Roumestand . . . . 6221 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'M. tuberculosis' 6221 1 'NMR assignments' 6221 1 Resuscitation 6221 1 Rpf 6221 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RpfBc _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RpfBc _Assembly.Entry_ID 6221 _Assembly.ID 1 _Assembly.Name RpfBc _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6221 1 stop_ 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 'RpfBc domain from M. tuberculosis' 1 $RpfBc . . . native . . . . . 6221 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 37 37 SG . 1 . 1 CYS 101 101 SG . . . . . . . . . . . . 6221 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID RpfBc abbreviation 6221 1 RpfBc system 6221 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RpfBc _Entity.Sf_category entity _Entity.Sf_framecode RpfBc _Entity.Entry_ID 6221 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Rpf domain' _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 ; NVVVTPAHEAVVRVGTKPGT EVPPVIDGSIWDAIAGCEAG GNWAINTGNGYYGGVQFDQG TWEANGGLRYAPRADLATRE EQIAVAEVTRLRQGWGAWPV CAARAGAR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2010-09-18 _Entity.DB_query_revised_last_date 2009-10-07 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 . . PDB 1XSF . 'Solution Structure Of A Resuscitation Promoting Factor Domain From Mycobacterium Tuberculosis' . . . . . 100.00 108 100.00 100.00 2.82e-54 . . . . 6221 1 . . PDB 3EO5 . 'Crystal Structure Of The Resuscitation Promoting Factor Rpfb' . . . . . 100.00 171 100.00 100.00 4.85e-55 . . . . 6221 1 . . DBJ BAH25329 . 'putative resuscitation-promoting factor [Mycobacterium bovis BCG str. Tokyo 172]' . . . . . 100.00 362 98.15 98.15 7.55e-56 . . . . 6221 1 . . EMBL CAB08136 . 'Probable resuscitation-promoting factor rpfB [Mycobacterium tuberculosis H37Rv]' . . . . . 100.00 362 100.00 100.00 5.27e-57 . . . . 6221 1 . . EMBL CAD93897 . 'Probable resuscitation-promoting factor rpfB [Mycobacterium bovis AF2122/97]' . . . . . 100.00 362 98.15 98.15 7.55e-56 . . . . 6221 1 . . EMBL CAL71053 . 'Probable resuscitation-promoting factor rpfB [Mycobacterium bovis BCG str. Pasteur 1173P2]' . . . . . 100.00 362 98.15 98.15 7.55e-56 . . . . 6221 1 . . GB AAK45288 . 'conserved hypothetical protein [Mycobacterium tuberculosis CDC1551]' . . . . . 100.00 362 100.00 100.00 5.27e-57 . . . . 6221 1 . . GB ABQ72752 . 'putative resuscitation-promoting factor RpfB [Mycobacterium tuberculosis H37Ra]' . . . . . 100.00 362 100.00 100.00 5.27e-57 . . . . 6221 1 . . GB ABR05371 . 'resuscitation-promoting factor rpfB [Mycobacterium tuberculosis F11]' . . . . . 100.00 362 100.00 100.00 5.27e-57 . . . . 6221 1 . . GB ACT26067 . 'resuscitation-promoting factor rpfB [Mycobacterium tuberculosis KZN 1435]' . . . . . 100.00 362 100.00 100.00 5.27e-57 . . . . 6221 1 . . GB EAY59373 . 'resuscitation-promoting factor rpfB [Mycobacterium tuberculosis C]' . . . . . 100.00 362 100.00 100.00 4.31e-57 . . . . 6221 1 . . REF NP_215525 . 'resuscitation-promoting factor rpfB [Mycobacterium tuberculosis H37Rv]' . . . . . 100.00 362 100.00 100.00 5.27e-57 . . . . 6221 1 . . REF NP_335474 . 'hypothetical protein MT1038 [Mycobacterium tuberculosis CDC1551]' . . . . . 100.00 362 100.00 100.00 5.27e-57 . . . . 6221 1 . . REF NP_854693 . 'resuscitation-promoting factor rpfB [Mycobacterium bovis AF2122/97]' . . . . . 100.00 362 98.15 98.15 7.55e-56 . . . . 6221 1 . . REF YP_001282314 . 'putative resuscitation-promoting factor RpfB [Mycobacterium tuberculosis H37Ra]' . . . . . 100.00 362 100.00 100.00 5.27e-57 . . . . 6221 1 . . REF YP_001286973 . 'resuscitation-promoting factor rpfB [Mycobacterium tuberculosis F11]' . . . . . 100.00 362 100.00 100.00 5.27e-57 . . . . 6221 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Rpf domain' abbreviation 6221 1 'Rpf domain' common 6221 1 'Rpf domain' variant 6221 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 . ASN . 6221 1 2 . VAL . 6221 1 3 . VAL . 6221 1 4 . VAL . 6221 1 5 . THR . 6221 1 6 . PRO . 6221 1 7 . ALA . 6221 1 8 . HIS . 6221 1 9 . GLU . 6221 1 10 . ALA . 6221 1 11 . VAL . 6221 1 12 . VAL . 6221 1 13 . ARG . 6221 1 14 . VAL . 6221 1 15 . GLY . 6221 1 16 . THR . 6221 1 17 . LYS . 6221 1 18 . PRO . 6221 1 19 . GLY . 6221 1 20 . THR . 6221 1 21 . GLU . 6221 1 22 . VAL . 6221 1 23 . PRO . 6221 1 24 . PRO . 6221 1 25 . VAL . 6221 1 26 . ILE . 6221 1 27 . ASP . 6221 1 28 . GLY . 6221 1 29 . SER . 6221 1 30 . ILE . 6221 1 31 . TRP . 6221 1 32 . ASP . 6221 1 33 . ALA . 6221 1 34 . ILE . 6221 1 35 . ALA . 6221 1 36 . GLY . 6221 1 37 . CYS . 6221 1 38 . GLU . 6221 1 39 . ALA . 6221 1 40 . GLY . 6221 1 41 . GLY . 6221 1 42 . ASN . 6221 1 43 . TRP . 6221 1 44 . ALA . 6221 1 45 . ILE . 6221 1 46 . ASN . 6221 1 47 . THR . 6221 1 48 . GLY . 6221 1 49 . ASN . 6221 1 50 . GLY . 6221 1 51 . TYR . 6221 1 52 . TYR . 6221 1 53 . GLY . 6221 1 54 . GLY . 6221 1 55 . VAL . 6221 1 56 . GLN . 6221 1 57 . PHE . 6221 1 58 . ASP . 6221 1 59 . GLN . 6221 1 60 . GLY . 6221 1 61 . THR . 6221 1 62 . TRP . 6221 1 63 . GLU . 6221 1 64 . ALA . 6221 1 65 . ASN . 6221 1 66 . GLY . 6221 1 67 . GLY . 6221 1 68 . LEU . 6221 1 69 . ARG . 6221 1 70 . TYR . 6221 1 71 . ALA . 6221 1 72 . PRO . 6221 1 73 . ARG . 6221 1 74 . ALA . 6221 1 75 . ASP . 6221 1 76 . LEU . 6221 1 77 . ALA . 6221 1 78 . THR . 6221 1 79 . ARG . 6221 1 80 . GLU . 6221 1 81 . GLU . 6221 1 82 . GLN . 6221 1 83 . ILE . 6221 1 84 . ALA . 6221 1 85 . VAL . 6221 1 86 . ALA . 6221 1 87 . GLU . 6221 1 88 . VAL . 6221 1 89 . THR . 6221 1 90 . ARG . 6221 1 91 . LEU . 6221 1 92 . ARG . 6221 1 93 . GLN . 6221 1 94 . GLY . 6221 1 95 . TRP . 6221 1 96 . GLY . 6221 1 97 . ALA . 6221 1 98 . TRP . 6221 1 99 . PRO . 6221 1 100 . VAL . 6221 1 101 . CYS . 6221 1 102 . ALA . 6221 1 103 . ALA . 6221 1 104 . ARG . 6221 1 105 . ALA . 6221 1 106 . GLY . 6221 1 107 . ALA . 6221 1 108 . ARG . 6221 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 . ASN 1 1 6221 1 . VAL 2 2 6221 1 . VAL 3 3 6221 1 . VAL 4 4 6221 1 . THR 5 5 6221 1 . PRO 6 6 6221 1 . ALA 7 7 6221 1 . HIS 8 8 6221 1 . GLU 9 9 6221 1 . ALA 10 10 6221 1 . VAL 11 11 6221 1 . VAL 12 12 6221 1 . ARG 13 13 6221 1 . VAL 14 14 6221 1 . GLY 15 15 6221 1 . THR 16 16 6221 1 . LYS 17 17 6221 1 . PRO 18 18 6221 1 . GLY 19 19 6221 1 . THR 20 20 6221 1 . GLU 21 21 6221 1 . VAL 22 22 6221 1 . PRO 23 23 6221 1 . PRO 24 24 6221 1 . VAL 25 25 6221 1 . ILE 26 26 6221 1 . ASP 27 27 6221 1 . GLY 28 28 6221 1 . SER 29 29 6221 1 . ILE 30 30 6221 1 . TRP 31 31 6221 1 . ASP 32 32 6221 1 . ALA 33 33 6221 1 . ILE 34 34 6221 1 . ALA 35 35 6221 1 . GLY 36 36 6221 1 . CYS 37 37 6221 1 . GLU 38 38 6221 1 . ALA 39 39 6221 1 . GLY 40 40 6221 1 . GLY 41 41 6221 1 . ASN 42 42 6221 1 . TRP 43 43 6221 1 . ALA 44 44 6221 1 . ILE 45 45 6221 1 . ASN 46 46 6221 1 . THR 47 47 6221 1 . GLY 48 48 6221 1 . ASN 49 49 6221 1 . GLY 50 50 6221 1 . TYR 51 51 6221 1 . TYR 52 52 6221 1 . GLY 53 53 6221 1 . GLY 54 54 6221 1 . VAL 55 55 6221 1 . GLN 56 56 6221 1 . PHE 57 57 6221 1 . ASP 58 58 6221 1 . GLN 59 59 6221 1 . GLY 60 60 6221 1 . THR 61 61 6221 1 . TRP 62 62 6221 1 . GLU 63 63 6221 1 . ALA 64 64 6221 1 . ASN 65 65 6221 1 . GLY 66 66 6221 1 . GLY 67 67 6221 1 . LEU 68 68 6221 1 . ARG 69 69 6221 1 . TYR 70 70 6221 1 . ALA 71 71 6221 1 . PRO 72 72 6221 1 . ARG 73 73 6221 1 . ALA 74 74 6221 1 . ASP 75 75 6221 1 . LEU 76 76 6221 1 . ALA 77 77 6221 1 . THR 78 78 6221 1 . ARG 79 79 6221 1 . GLU 80 80 6221 1 . GLU 81 81 6221 1 . GLN 82 82 6221 1 . ILE 83 83 6221 1 . ALA 84 84 6221 1 . VAL 85 85 6221 1 . ALA 86 86 6221 1 . GLU 87 87 6221 1 . VAL 88 88 6221 1 . THR 89 89 6221 1 . ARG 90 90 6221 1 . LEU 91 91 6221 1 . ARG 92 92 6221 1 . GLN 93 93 6221 1 . GLY 94 94 6221 1 . TRP 95 95 6221 1 . GLY 96 96 6221 1 . ALA 97 97 6221 1 . TRP 98 98 6221 1 . PRO 99 99 6221 1 . VAL 100 100 6221 1 . CYS 101 101 6221 1 . ALA 102 102 6221 1 . ALA 103 103 6221 1 . ARG 104 104 6221 1 . ALA 105 105 6221 1 . GLY 106 106 6221 1 . ALA 107 107 6221 1 . ARG 108 108 6221 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 6221 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RpfBc . 83332 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Actinobacteria Actinomycetales Mycobacterium tuberculosis H37rv . . . . . . . . . . . . 6221 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 6221 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RpfBc . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . Rosetta(DE3) . . 'modified pET15b (with TEV-site)' . . . 6221 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6221 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Rpf domain' '[U-95% 15N]' . . 1 $RpfBc . . 0.5 . . mM . . . . 6221 1 2 Na-Acetate . . . . . . . 25 . . mM . . . . 6221 1 3 beta-mercaptoethanol . . . . . . . 5 . . mM . . . . 6221 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6221 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Rpf domain' '[U-95% 13C; U-95% 15N]' . . 1 $RpfBc . . 0.5 . . mM . . . . 6221 2 2 Na-Acetate . . . . . . . 25 . . mM . . . . 6221 2 3 beta-mercaptoethanol . . . . . . . 5 . . mM . . . . 6221 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6221 _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' 25 1 mM 6221 1 pH 4.6 0.1 pH 6221 1 temperature 293 0.2 K 6221 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6221 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'A cryogenic probe equipped the 500 MHz spectrometer.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6221 _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 NMR_spectrometer Bruker Avance . 500 'A cryogenic probe equipped the 500 MHz spectrometer.' . . 6221 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 6221 _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 HNCA . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6221 1 2 HN(CO)CA . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6221 1 3 HNCACB . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6221 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6221 1 5 HNCO . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6221 1 6 HN(CA)CO . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6221 1 7 '1H-15N NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6221 1 8 '1H-15N TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6221 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 6221 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 6221 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . 6221 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 6221 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 6221 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_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 HNCA . . . 6221 1 2 HN(CO)CA . . . 6221 1 3 HNCACB . . . 6221 1 4 CBCA(CO)NH . . . 6221 1 5 HNCO . . . 6221 1 6 HN(CA)CO . . . 6221 1 7 '1H-15N NOESY' . . . 6221 1 8 '1H-15N TOCSY' . . . 6221 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.Ambiguity_set_ID _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 ASN H H 1 8.477 0.01 . 1 . . . . . . . . . 6221 1 2 . 1 1 1 1 ASN N N 15 120.470 0.1 . 1 . . . . . . . . . 6221 1 3 . 1 1 1 1 ASN CA C 13 53.180 0.1 . 1 . . . . . . . . . 6221 1 4 . 1 1 1 1 ASN HA H 1 4.742 0.01 . 1 . . . . . . . . . 6221 1 5 . 1 1 1 1 ASN C C 13 175.370 0.1 . 1 . . . . . . . . . 6221 1 6 . 1 1 1 1 ASN CB C 13 38.730 0.1 . 1 . . . . . . . . . 6221 1 7 . 1 1 1 1 ASN HB2 H 1 2.806 0.01 . 2 . . . . . . . . . 6221 1 8 . 1 1 1 1 ASN HB3 H 1 2.772 0.01 . 2 . . . . . . . . . 6221 1 9 . 1 1 1 1 ASN ND2 N 15 112.264 0.1 . 1 . . . . . . . . . 6221 1 10 . 1 1 1 1 ASN HD21 H 1 7.582 0.01 . 2 . . . . . . . . . 6221 1 11 . 1 1 1 1 ASN HD22 H 1 6.873 0.01 . 2 . . . . . . . . . 6221 1 12 . 1 1 2 2 VAL H H 1 8.020 0.01 . 1 . . . . . . . . . 6221 1 13 . 1 1 2 2 VAL N N 15 120.250 0.1 . 1 . . . . . . . . . 6221 1 14 . 1 1 2 2 VAL CA C 13 62.230 0.1 . 1 . . . . . . . . . 6221 1 15 . 1 1 2 2 VAL HA H 1 4.098 0.01 . 1 . . . . . . . . . 6221 1 16 . 1 1 2 2 VAL C C 13 176.500 0.1 . 1 . . . . . . . . . 6221 1 17 . 1 1 2 2 VAL CB C 13 32.950 0.1 . 1 . . . . . . . . . 6221 1 18 . 1 1 2 2 VAL HB H 1 2.029 0.01 . 1 . . . . . . . . . 6221 1 19 . 1 1 2 2 VAL HG11 H 1 0.891 0.01 . 2 . . . . . . . . . 6221 1 20 . 1 1 2 2 VAL HG12 H 1 0.891 0.01 . 2 . . . . . . . . . 6221 1 21 . 1 1 2 2 VAL HG13 H 1 0.891 0.01 . 2 . . . . . . . . . 6221 1 22 . 1 1 2 2 VAL HG21 H 1 0.921 0.01 . 2 . . . . . . . . . 6221 1 23 . 1 1 2 2 VAL HG22 H 1 0.921 0.01 . 2 . . . . . . . . . 6221 1 24 . 1 1 2 2 VAL HG23 H 1 0.921 0.01 . 2 . . . . . . . . . 6221 1 25 . 1 1 3 3 VAL H H 1 8.293 0.01 . 1 . . . . . . . . . 6221 1 26 . 1 1 3 3 VAL N N 15 125.320 0.1 . 1 . . . . . . . . . 6221 1 27 . 1 1 3 3 VAL CA C 13 62.230 0.1 . 1 . . . . . . . . . 6221 1 28 . 1 1 3 3 VAL HA H 1 4.112 0.01 . 1 . . . . . . . . . 6221 1 29 . 1 1 3 3 VAL C C 13 176.400 0.1 . 1 . . . . . . . . . 6221 1 30 . 1 1 3 3 VAL CB C 13 32.790 0.1 . 1 . . . . . . . . . 6221 1 31 . 1 1 3 3 VAL HB H 1 2.007 0.01 . 1 . . . . . . . . . 6221 1 32 . 1 1 3 3 VAL HG11 H 1 0.890 0.01 . 2 . . . . . . . . . 6221 1 33 . 1 1 3 3 VAL HG12 H 1 0.890 0.01 . 2 . . . . . . . . . 6221 1 34 . 1 1 3 3 VAL HG13 H 1 0.890 0.01 . 2 . . . . . . . . . 6221 1 35 . 1 1 3 3 VAL HG21 H 1 0.920 0.01 . 2 . . . . . . . . . 6221 1 36 . 1 1 3 3 VAL HG22 H 1 0.920 0.01 . 2 . . . . . . . . . 6221 1 37 . 1 1 3 3 VAL HG23 H 1 0.920 0.01 . 2 . . . . . . . . . 6221 1 38 . 1 1 4 4 VAL H H 1 8.356 0.01 . 1 . . . . . . . . . 6221 1 39 . 1 1 4 4 VAL N N 15 125.500 0.1 . 1 . . . . . . . . . 6221 1 40 . 1 1 4 4 VAL CA C 13 62.110 0.1 . 1 . . . . . . . . . 6221 1 41 . 1 1 4 4 VAL HA H 1 4.180 0.01 . 1 . . . . . . . . . 6221 1 42 . 1 1 4 4 VAL C C 13 176.470 0.1 . 1 . . . . . . . . . 6221 1 43 . 1 1 4 4 VAL CB C 13 32.920 0.1 . 1 . . . . . . . . . 6221 1 44 . 1 1 4 4 VAL HB H 1 2.013 0.01 . 1 . . . . . . . . . 6221 1 45 . 1 1 4 4 VAL HG11 H 1 0.892 0.01 . 2 . . . . . . . . . 6221 1 46 . 1 1 4 4 VAL HG12 H 1 0.892 0.01 . 2 . . . . . . . . . 6221 1 47 . 1 1 4 4 VAL HG13 H 1 0.892 0.01 . 2 . . . . . . . . . 6221 1 48 . 1 1 4 4 VAL HG21 H 1 0.919 0.01 . 2 . . . . . . . . . 6221 1 49 . 1 1 4 4 VAL HG22 H 1 0.919 0.01 . 2 . . . . . . . . . 6221 1 50 . 1 1 4 4 VAL HG23 H 1 0.919 0.01 . 2 . . . . . . . . . 6221 1 51 . 1 1 5 5 THR H H 1 8.343 0.01 . 1 . . . . . . . . . 6221 1 52 . 1 1 5 5 THR N N 15 121.430 0.1 . 1 . . . . . . . . . 6221 1 53 . 1 1 5 5 THR CA C 13 59.750 0.1 . 1 . . . . . . . . . 6221 1 54 . 1 1 5 5 THR HA H 1 4.589 0.01 . 1 . . . . . . . . . 6221 1 55 . 1 1 5 5 THR C C 13 173.160 0.1 . 1 . . . . . . . . . 6221 1 56 . 1 1 5 5 THR CB C 13 69.680 0.1 . 1 . . . . . . . . . 6221 1 57 . 1 1 5 5 THR HB H 1 4.116 0.01 . 1 . . . . . . . . . 6221 1 58 . 1 1 5 5 THR HG21 H 1 1.233 0.01 . 1 . . . . . . . . . 6221 1 59 . 1 1 5 5 THR HG22 H 1 1.233 0.01 . 1 . . . . . . . . . 6221 1 60 . 1 1 5 5 THR HG23 H 1 1.233 0.01 . 1 . . . . . . . . . 6221 1 61 . 1 1 6 6 PRO CA C 13 63.050 0.1 . 1 . . . . . . . . . 6221 1 62 . 1 1 6 6 PRO HA H 1 4.369 0.01 . 1 . . . . . . . . . 6221 1 63 . 1 1 6 6 PRO C C 13 177.150 0.1 . 1 . . . . . . . . . 6221 1 64 . 1 1 6 6 PRO CB C 13 32.110 0.1 . 1 . . . . . . . . . 6221 1 65 . 1 1 6 6 PRO HB2 H 1 2.294 0.01 . 2 . . . . . . . . . 6221 1 66 . 1 1 6 6 PRO HB3 H 1 1.855 0.01 . 2 . . . . . . . . . 6221 1 67 . 1 1 6 6 PRO HG2 H 1 2.020 0.01 . 2 . . . . . . . . . 6221 1 68 . 1 1 6 6 PRO HG3 H 1 1.946 0.01 . 2 . . . . . . . . . 6221 1 69 . 1 1 6 6 PRO HD2 H 1 3.884 0.01 . 2 . . . . . . . . . 6221 1 70 . 1 1 6 6 PRO HD3 H 1 3.713 0.01 . 2 . . . . . . . . . 6221 1 71 . 1 1 7 7 ALA H H 1 8.382 0.01 . 1 . . . . . . . . . 6221 1 72 . 1 1 7 7 ALA N N 15 123.960 0.1 . 1 . . . . . . . . . 6221 1 73 . 1 1 7 7 ALA CA C 13 52.440 0.1 . 1 . . . . . . . . . 6221 1 74 . 1 1 7 7 ALA HA H 1 4.222 0.01 . 1 . . . . . . . . . 6221 1 75 . 1 1 7 7 ALA C C 13 178.230 0.1 . 1 . . . . . . . . . 6221 1 76 . 1 1 7 7 ALA CB C 13 19.340 0.1 . 1 . . . . . . . . . 6221 1 77 . 1 1 7 7 ALA HB1 H 1 1.340 0.01 . 1 . . . . . . . . . 6221 1 78 . 1 1 7 7 ALA HB2 H 1 1.340 0.01 . 1 . . . . . . . . . 6221 1 79 . 1 1 7 7 ALA HB3 H 1 1.340 0.01 . 1 . . . . . . . . . 6221 1 80 . 1 1 8 8 HIS H H 1 8.452 0.01 . 1 . . . . . . . . . 6221 1 81 . 1 1 8 8 HIS N N 15 117.130 0.1 . 1 . . . . . . . . . 6221 1 82 . 1 1 8 8 HIS CA C 13 55.370 0.1 . 1 . . . . . . . . . 6221 1 83 . 1 1 8 8 HIS HA H 1 4.652 0.01 . 1 . . . . . . . . . 6221 1 84 . 1 1 8 8 HIS C C 13 174.850 0.1 . 1 . . . . . . . . . 6221 1 85 . 1 1 8 8 HIS CB C 13 29.310 0.1 . 1 . . . . . . . . . 6221 1 86 . 1 1 8 8 HIS HB2 H 1 3.246 0.01 . 2 . . . . . . . . . 6221 1 87 . 1 1 8 8 HIS HB3 H 1 3.190 0.01 . 2 . . . . . . . . . 6221 1 88 . 1 1 9 9 GLU H H 1 8.452 0.01 . 1 . . . . . . . . . 6221 1 89 . 1 1 9 9 GLU N N 15 121.850 0.1 . 1 . . . . . . . . . 6221 1 90 . 1 1 9 9 GLU CA C 13 56.290 0.1 . 1 . . . . . . . . . 6221 1 91 . 1 1 9 9 GLU HA H 1 4.270 0.01 . 1 . . . . . . . . . 6221 1 92 . 1 1 9 9 GLU C C 13 176.420 0.1 . 1 . . . . . . . . . 6221 1 93 . 1 1 9 9 GLU CB C 13 30.350 0.1 . 1 . . . . . . . . . 6221 1 94 . 1 1 9 9 GLU HB2 H 1 2.029 0.01 . 2 . . . . . . . . . 6221 1 95 . 1 1 9 9 GLU HB3 H 1 1.913 0.01 . 2 . . . . . . . . . 6221 1 96 . 1 1 9 9 GLU HG2 H 1 2.254 0.01 . 2 . . . . . . . . . 6221 1 97 . 1 1 10 10 ALA H H 1 8.413 0.01 . 1 . . . . . . . . . 6221 1 98 . 1 1 10 10 ALA N N 15 125.302 0.1 . 1 . . . . . . . . . 6221 1 99 . 1 1 10 10 ALA CA C 13 52.500 0.1 . 1 . . . . . . . . . 6221 1 100 . 1 1 10 10 ALA HA H 1 4.331 0.01 . 1 . . . . . . . . . 6221 1 101 . 1 1 10 10 ALA C C 13 178.050 0.1 . 1 . . . . . . . . . 6221 1 102 . 1 1 10 10 ALA CB C 13 19.230 0.1 . 1 . . . . . . . . . 6221 1 103 . 1 1 10 10 ALA HB1 H 1 1.374 0.01 . 1 . . . . . . . . . 6221 1 104 . 1 1 10 10 ALA HB2 H 1 1.374 0.01 . 1 . . . . . . . . . 6221 1 105 . 1 1 10 10 ALA HB3 H 1 1.374 0.01 . 1 . . . . . . . . . 6221 1 106 . 1 1 11 11 VAL H H 1 8.102 0.01 . 1 . . . . . . . . . 6221 1 107 . 1 1 11 11 VAL N N 15 119.740 0.1 . 1 . . . . . . . . . 6221 1 108 . 1 1 11 11 VAL CA C 13 62.100 0.1 . 1 . . . . . . . . . 6221 1 109 . 1 1 11 11 VAL HA H 1 4.082 0.01 . 1 . . . . . . . . . 6221 1 110 . 1 1 11 11 VAL C C 13 176.640 0.1 . 1 . . . . . . . . . 6221 1 111 . 1 1 11 11 VAL CB C 13 32.920 0.1 . 1 . . . . . . . . . 6221 1 112 . 1 1 11 11 VAL HB H 1 2.019 0.01 . 1 . . . . . . . . . 6221 1 113 . 1 1 11 11 VAL HG11 H 1 0.900 0.01 . 2 . . . . . . . . . 6221 1 114 . 1 1 11 11 VAL HG12 H 1 0.900 0.01 . 2 . . . . . . . . . 6221 1 115 . 1 1 11 11 VAL HG13 H 1 0.900 0.01 . 2 . . . . . . . . . 6221 1 116 . 1 1 11 11 VAL HG21 H 1 0.940 0.01 . 2 . . . . . . . . . 6221 1 117 . 1 1 11 11 VAL HG22 H 1 0.940 0.01 . 2 . . . . . . . . . 6221 1 118 . 1 1 11 11 VAL HG23 H 1 0.940 0.01 . 2 . . . . . . . . . 6221 1 119 . 1 1 12 12 VAL H H 1 8.261 0.01 . 1 . . . . . . . . . 6221 1 120 . 1 1 12 12 VAL N N 15 124.780 0.1 . 1 . . . . . . . . . 6221 1 121 . 1 1 12 12 VAL CA C 13 61.940 0.1 . 1 . . . . . . . . . 6221 1 122 . 1 1 12 12 VAL HA H 1 4.082 0.01 . 1 . . . . . . . . . 6221 1 123 . 1 1 12 12 VAL C C 13 176.380 0.1 . 1 . . . . . . . . . 6221 1 124 . 1 1 12 12 VAL CB C 13 32.990 0.1 . 1 . . . . . . . . . 6221 1 125 . 1 1 12 12 VAL HB H 1 2.005 0.01 . 1 . . . . . . . . . 6221 1 126 . 1 1 12 12 VAL HG11 H 1 0.890 0.01 . 2 . . . . . . . . . 6221 1 127 . 1 1 12 12 VAL HG12 H 1 0.890 0.01 . 2 . . . . . . . . . 6221 1 128 . 1 1 12 12 VAL HG13 H 1 0.890 0.01 . 2 . . . . . . . . . 6221 1 129 . 1 1 12 12 VAL HG21 H 1 0.920 0.01 . 2 . . . . . . . . . 6221 1 130 . 1 1 12 12 VAL HG22 H 1 0.920 0.01 . 2 . . . . . . . . . 6221 1 131 . 1 1 12 12 VAL HG23 H 1 0.920 0.01 . 2 . . . . . . . . . 6221 1 132 . 1 1 13 13 ARG H H 1 8.471 0.01 . 1 . . . . . . . . . 6221 1 133 . 1 1 13 13 ARG N N 15 125.740 0.1 . 1 . . . . . . . . . 6221 1 134 . 1 1 13 13 ARG CA C 13 52.540 0.1 . 1 . . . . . . . . . 6221 1 135 . 1 1 13 13 ARG HA H 1 4.410 0.01 . 1 . . . . . . . . . 6221 1 136 . 1 1 13 13 ARG C C 13 176.590 0.1 . 1 . . . . . . . . . 6221 1 137 . 1 1 13 13 ARG CB C 13 31.100 0.1 . 1 . . . . . . . . . 6221 1 138 . 1 1 13 13 ARG HB2 H 1 1.803 0.01 . 4 . . . . . . . . . 6221 1 139 . 1 1 13 13 ARG HB3 H 1 1.803 0.01 . 4 . . . . . . . . . 6221 1 140 . 1 1 13 13 ARG HG2 H 1 1.620 0.01 . 4 . . . . . . . . . 6221 1 141 . 1 1 13 13 ARG HG3 H 1 1.582 0.01 . 4 . . . . . . . . . 6221 1 142 . 1 1 13 13 ARG HD2 H 1 3.175 0.01 . 1 . . . . . . . . . 6221 1 143 . 1 1 13 13 ARG HD3 H 1 3.175 0.01 . 1 . . . . . . . . . 6221 1 144 . 1 1 13 13 ARG NE N 15 84.363 0.1 . 1 . . . . . . . . . 6221 1 145 . 1 1 13 13 ARG HE H 1 7.235 0.01 . 1 . . . . . . . . . 6221 1 146 . 1 1 14 14 VAL H H 1 8.288 0.01 . 1 . . . . . . . . . 6221 1 147 . 1 1 14 14 VAL N N 15 122.240 0.1 . 1 . . . . . . . . . 6221 1 148 . 1 1 14 14 VAL CA C 13 62.500 0.1 . 1 . . . . . . . . . 6221 1 149 . 1 1 14 14 VAL HA H 1 4.120 0.01 . 1 . . . . . . . . . 6221 1 150 . 1 1 14 14 VAL C C 13 177.040 0.1 . 1 . . . . . . . . . 6221 1 151 . 1 1 14 14 VAL CB C 13 32.900 0.1 . 1 . . . . . . . . . 6221 1 152 . 1 1 14 14 VAL HB H 1 2.066 0.01 . 1 . . . . . . . . . 6221 1 153 . 1 1 14 14 VAL HG11 H 1 0.937 0.01 . 2 . . . . . . . . . 6221 1 154 . 1 1 14 14 VAL HG12 H 1 0.937 0.01 . 2 . . . . . . . . . 6221 1 155 . 1 1 14 14 VAL HG13 H 1 0.937 0.01 . 2 . . . . . . . . . 6221 1 156 . 1 1 14 14 VAL HG21 H 1 0.968 0.01 . 2 . . . . . . . . . 6221 1 157 . 1 1 14 14 VAL HG22 H 1 0.968 0.01 . 2 . . . . . . . . . 6221 1 158 . 1 1 14 14 VAL HG23 H 1 0.968 0.01 . 2 . . . . . . . . . 6221 1 159 . 1 1 15 15 GLY H H 1 8.560 0.01 . 1 . . . . . . . . . 6221 1 160 . 1 1 15 15 GLY N N 15 112.565 0.1 . 1 . . . . . . . . . 6221 1 161 . 1 1 15 15 GLY CA C 13 45.150 0.1 . 1 . . . . . . . . . 6221 1 162 . 1 1 15 15 GLY HA2 H 1 3.983 0.01 . 2 . . . . . . . . . 6221 1 163 . 1 1 15 15 GLY HA3 H 1 4.034 0.01 . 2 . . . . . . . . . 6221 1 164 . 1 1 15 15 GLY C C 13 174.640 0.1 . 1 . . . . . . . . . 6221 1 165 . 1 1 16 16 THR H H 1 8.057 0.01 . 1 . . . . . . . . . 6221 1 166 . 1 1 16 16 THR N N 15 113.710 0.1 . 1 . . . . . . . . . 6221 1 167 . 1 1 16 16 THR CA C 13 61.440 0.1 . 1 . . . . . . . . . 6221 1 168 . 1 1 16 16 THR HA H 1 4.314 0.01 . 1 . . . . . . . . . 6221 1 169 . 1 1 16 16 THR C C 13 174.990 0.1 . 1 . . . . . . . . . 6221 1 170 . 1 1 16 16 THR CB C 13 70.070 0.1 . 1 . . . . . . . . . 6221 1 171 . 1 1 16 16 THR HB H 1 4.161 0.01 . 1 . . . . . . . . . 6221 1 172 . 1 1 16 16 THR HG21 H 1 1.180 0.01 . 1 . . . . . . . . . 6221 1 173 . 1 1 16 16 THR HG22 H 1 1.180 0.01 . 1 . . . . . . . . . 6221 1 174 . 1 1 16 16 THR HG23 H 1 1.180 0.01 . 1 . . . . . . . . . 6221 1 175 . 1 1 17 17 LYS H H 1 8.441 0.01 . 1 . . . . . . . . . 6221 1 176 . 1 1 17 17 LYS N N 15 124.950 0.1 . 1 . . . . . . . . . 6221 1 177 . 1 1 17 17 LYS CA C 13 54.150 0.1 . 1 . . . . . . . . . 6221 1 178 . 1 1 17 17 LYS HA H 1 4.638 0.01 . 1 . . . . . . . . . 6221 1 179 . 1 1 17 17 LYS C C 13 178.020 0.1 . 1 . . . . . . . . . 6221 1 180 . 1 1 17 17 LYS CB C 13 32.790 0.1 . 1 . . . . . . . . . 6221 1 181 . 1 1 17 17 LYS HB2 H 1 1.828 0.01 . 4 . . . . . . . . . 6221 1 182 . 1 1 17 17 LYS HB3 H 1 1.700 0.01 . 4 . . . . . . . . . 6221 1 183 . 1 1 17 17 LYS HG2 H 1 1.476 0.01 . 4 . . . . . . . . . 6221 1 184 . 1 1 17 17 LYS HD2 H 1 1.739 0.01 . 4 . . . . . . . . . 6221 1 185 . 1 1 17 17 LYS HE2 H 1 2.950 0.01 . 2 . . . . . . . . . 6221 1 186 . 1 1 17 17 LYS HE3 H 1 3.060 0.01 . 2 . . . . . . . . . 6221 1 187 . 1 1 18 18 PRO CA C 13 63.390 0.1 . 1 . . . . . . . . . 6221 1 188 . 1 1 18 18 PRO HA H 1 4.449 0.01 . 1 . . . . . . . . . 6221 1 189 . 1 1 18 18 PRO C C 13 177.980 0.1 . 1 . . . . . . . . . 6221 1 190 . 1 1 18 18 PRO CB C 13 31.820 0.1 . 1 . . . . . . . . . 6221 1 191 . 1 1 18 18 PRO HB2 H 1 2.324 0.01 . 2 . . . . . . . . . 6221 1 192 . 1 1 18 18 PRO HB3 H 1 1.961 0.01 . 2 . . . . . . . . . 6221 1 193 . 1 1 18 18 PRO HG2 H 1 2.076 0.01 . 2 . . . . . . . . . 6221 1 194 . 1 1 18 18 PRO HG3 H 1 2.041 0.01 . 2 . . . . . . . . . 6221 1 195 . 1 1 18 18 PRO HD2 H 1 3.865 0.01 . 2 . . . . . . . . . 6221 1 196 . 1 1 18 18 PRO HD3 H 1 3.667 0.01 . 2 . . . . . . . . . 6221 1 197 . 1 1 19 19 GLY H H 1 8.649 0.01 . 1 . . . . . . . . . 6221 1 198 . 1 1 19 19 GLY N N 15 109.710 0.1 . 1 . . . . . . . . . 6221 1 199 . 1 1 19 19 GLY CA C 13 45.330 0.1 . 1 . . . . . . . . . 6221 1 200 . 1 1 19 19 GLY HA2 H 1 3.994 0.01 . 2 . . . . . . . . . 6221 1 201 . 1 1 19 19 GLY HA3 H 1 4.065 0.01 . 2 . . . . . . . . . 6221 1 202 . 1 1 19 19 GLY C C 13 175.020 0.1 . 1 . . . . . . . . . 6221 1 203 . 1 1 20 20 THR H H 1 7.981 0.01 . 1 . . . . . . . . . 6221 1 204 . 1 1 20 20 THR N N 15 112.980 0.1 . 1 . . . . . . . . . 6221 1 205 . 1 1 20 20 THR CA C 13 61.870 0.1 . 1 . . . . . . . . . 6221 1 206 . 1 1 20 20 THR HA H 1 4.357 0.01 . 1 . . . . . . . . . 6221 1 207 . 1 1 20 20 THR C C 13 174.990 0.1 . 1 . . . . . . . . . 6221 1 208 . 1 1 20 20 THR CB C 13 69.800 0.1 . 1 . . . . . . . . . 6221 1 209 . 1 1 20 20 THR HB H 1 4.240 0.01 . 1 . . . . . . . . . 6221 1 210 . 1 1 20 20 THR HG21 H 1 1.194 0.01 . 1 . . . . . . . . . 6221 1 211 . 1 1 20 20 THR HG22 H 1 1.194 0.01 . 1 . . . . . . . . . 6221 1 212 . 1 1 20 20 THR HG23 H 1 1.194 0.01 . 1 . . . . . . . . . 6221 1 213 . 1 1 21 21 GLU H H 1 8.610 0.01 . 1 . . . . . . . . . 6221 1 214 . 1 1 21 21 GLU N N 15 123.600 0.1 . 1 . . . . . . . . . 6221 1 215 . 1 1 21 21 GLU CA C 13 56.480 0.1 . 1 . . . . . . . . . 6221 1 216 . 1 1 21 21 GLU HA H 1 4.350 0.01 . 1 . . . . . . . . . 6221 1 217 . 1 1 21 21 GLU C C 13 176.570 0.1 . 1 . . . . . . . . . 6221 1 218 . 1 1 21 21 GLU CB C 13 29.970 0.1 . 1 . . . . . . . . . 6221 1 219 . 1 1 21 21 GLU HB2 H 1 2.031 0.01 . 2 . . . . . . . . . 6221 1 220 . 1 1 21 21 GLU HB3 H 1 1.950 0.01 . 2 . . . . . . . . . 6221 1 221 . 1 1 21 21 GLU HG2 H 1 2.266 0.01 . 2 . . . . . . . . . 6221 1 222 . 1 1 22 22 VAL H H 1 8.299 0.01 . 1 . . . . . . . . . 6221 1 223 . 1 1 22 22 VAL N N 15 123.460 0.1 . 1 . . . . . . . . . 6221 1 224 . 1 1 22 22 VAL CA C 13 59.550 0.1 . 1 . . . . . . . . . 6221 1 225 . 1 1 22 22 VAL HA H 1 4.425 0.01 . 1 . . . . . . . . . 6221 1 226 . 1 1 22 22 VAL C C 13 174.430 0.1 . 1 . . . . . . . . . 6221 1 227 . 1 1 22 22 VAL CB C 13 32.830 0.1 . 1 . . . . . . . . . 6221 1 228 . 1 1 22 22 VAL HB H 1 2.031 0.01 . 1 . . . . . . . . . 6221 1 229 . 1 1 22 22 VAL HG11 H 1 0.870 0.01 . 2 . . . . . . . . . 6221 1 230 . 1 1 22 22 VAL HG12 H 1 0.870 0.01 . 2 . . . . . . . . . 6221 1 231 . 1 1 22 22 VAL HG13 H 1 0.870 0.01 . 2 . . . . . . . . . 6221 1 232 . 1 1 22 22 VAL HG21 H 1 0.920 0.01 . 2 . . . . . . . . . 6221 1 233 . 1 1 22 22 VAL HG22 H 1 0.920 0.01 . 2 . . . . . . . . . 6221 1 234 . 1 1 22 22 VAL HG23 H 1 0.920 0.01 . 2 . . . . . . . . . 6221 1 235 . 1 1 23 23 PRO HA H 1 4.690 0.01 . 1 . . . . . . . . . 6221 1 236 . 1 1 23 23 PRO HB2 H 1 2.270 0.01 . 2 . . . . . . . . . 6221 1 237 . 1 1 23 23 PRO HB3 H 1 1.946 0.01 . 2 . . . . . . . . . 6221 1 238 . 1 1 23 23 PRO HG2 H 1 2.056 0.01 . 2 . . . . . . . . . 6221 1 239 . 1 1 23 23 PRO HG3 H 1 2.024 0.01 . 2 . . . . . . . . . 6221 1 240 . 1 1 23 23 PRO HD2 H 1 3.891 0.01 . 2 . . . . . . . . . 6221 1 241 . 1 1 23 23 PRO HD3 H 1 3.631 0.01 . 2 . . . . . . . . . 6221 1 242 . 1 1 24 24 PRO CA C 13 62.800 0.1 . 1 . . . . . . . . . 6221 1 243 . 1 1 24 24 PRO HA H 1 4.428 0.01 . 1 . . . . . . . . . 6221 1 244 . 1 1 24 24 PRO C C 13 178.000 0.1 . 1 . . . . . . . . . 6221 1 245 . 1 1 24 24 PRO CB C 13 31.820 0.1 . 1 . . . . . . . . . 6221 1 246 . 1 1 24 24 PRO HB2 H 1 2.284 0.01 . 2 . . . . . . . . . 6221 1 247 . 1 1 24 24 PRO HB3 H 1 1.850 0.01 . 2 . . . . . . . . . 6221 1 248 . 1 1 24 24 PRO HG2 H 1 2.053 0.01 . 2 . . . . . . . . . 6221 1 249 . 1 1 24 24 PRO HG3 H 1 2.010 0.01 . 2 . . . . . . . . . 6221 1 250 . 1 1 24 24 PRO HD2 H 1 3.666 0.01 . 2 . . . . . . . . . 6221 1 251 . 1 1 24 24 PRO HD3 H 1 3.900 0.01 . 2 . . . . . . . . . 6221 1 252 . 1 1 25 25 VAL H H 1 8.242 0.01 . 1 . . . . . . . . . 6221 1 253 . 1 1 25 25 VAL N N 15 120.570 0.1 . 1 . . . . . . . . . 6221 1 254 . 1 1 25 25 VAL CA C 13 62.290 0.1 . 1 . . . . . . . . . 6221 1 255 . 1 1 25 25 VAL HA H 1 4.076 0.01 . 1 . . . . . . . . . 6221 1 256 . 1 1 25 25 VAL C C 13 176.590 0.1 . 1 . . . . . . . . . 6221 1 257 . 1 1 25 25 VAL CB C 13 32.860 0.1 . 1 . . . . . . . . . 6221 1 258 . 1 1 25 25 VAL HB H 1 2.017 0.01 . 1 . . . . . . . . . 6221 1 259 . 1 1 25 25 VAL HG11 H 1 0.931 0.01 . 2 . . . . . . . . . 6221 1 260 . 1 1 25 25 VAL HG12 H 1 0.931 0.01 . 2 . . . . . . . . . 6221 1 261 . 1 1 25 25 VAL HG13 H 1 0.931 0.01 . 2 . . . . . . . . . 6221 1 262 . 1 1 25 25 VAL HG21 H 1 0.966 0.01 . 2 . . . . . . . . . 6221 1 263 . 1 1 25 25 VAL HG22 H 1 0.966 0.01 . 2 . . . . . . . . . 6221 1 264 . 1 1 25 25 VAL HG23 H 1 0.966 0.01 . 2 . . . . . . . . . 6221 1 265 . 1 1 26 26 ILE H H 1 8.610 0.01 . 1 . . . . . . . . . 6221 1 266 . 1 1 26 26 ILE N N 15 126.719 0.1 . 1 . . . . . . . . . 6221 1 267 . 1 1 26 26 ILE CA C 13 60.270 0.1 . 1 . . . . . . . . . 6221 1 268 . 1 1 26 26 ILE HA H 1 4.265 0.01 . 1 . . . . . . . . . 6221 1 269 . 1 1 26 26 ILE C C 13 175.980 0.1 . 1 . . . . . . . . . 6221 1 270 . 1 1 26 26 ILE CB C 13 38.460 0.1 . 1 . . . . . . . . . 6221 1 271 . 1 1 26 26 ILE HB H 1 1.953 0.01 . 1 . . . . . . . . . 6221 1 272 . 1 1 26 26 ILE HG12 H 1 1.447 0.01 . 4 . . . . . . . . . 6221 1 273 . 1 1 26 26 ILE HD11 H 1 0.835 0.01 . 4 . . . . . . . . . 6221 1 274 . 1 1 26 26 ILE HD12 H 1 0.835 0.01 . 4 . . . . . . . . . 6221 1 275 . 1 1 26 26 ILE HD13 H 1 0.835 0.01 . 4 . . . . . . . . . 6221 1 276 . 1 1 27 27 ASP H H 1 8.426 0.01 . 1 . . . . . . . . . 6221 1 277 . 1 1 27 27 ASP N N 15 122.790 0.1 . 1 . . . . . . . . . 6221 1 278 . 1 1 27 27 ASP CA C 13 54.430 0.1 . 1 . . . . . . . . . 6221 1 279 . 1 1 27 27 ASP HA H 1 4.646 0.01 . 1 . . . . . . . . . 6221 1 280 . 1 1 27 27 ASP C C 13 177.390 0.1 . 1 . . . . . . . . . 6221 1 281 . 1 1 27 27 ASP CB C 13 41.140 0.1 . 1 . . . . . . . . . 6221 1 282 . 1 1 27 27 ASP HB2 H 1 2.844 0.01 . 2 . . . . . . . . . 6221 1 283 . 1 1 27 27 ASP HB3 H 1 2.783 0.01 . 2 . . . . . . . . . 6221 1 284 . 1 1 28 28 GLY H H 1 8.676 0.01 . 1 . . . . . . . . . 6221 1 285 . 1 1 28 28 GLY N N 15 109.131 0.1 . 1 . . . . . . . . . 6221 1 286 . 1 1 28 28 GLY CA C 13 47.020 0.1 . 1 . . . . . . . . . 6221 1 287 . 1 1 28 28 GLY HA2 H 1 3.902 0.01 . 2 . . . . . . . . . 6221 1 288 . 1 1 28 28 GLY HA3 H 1 3.941 0.01 . 2 . . . . . . . . . 6221 1 289 . 1 1 28 28 GLY C C 13 175.090 0.1 . 1 . . . . . . . . . 6221 1 290 . 1 1 29 29 SER H H 1 8.502 0.01 . 1 . . . . . . . . . 6221 1 291 . 1 1 29 29 SER N N 15 114.960 0.1 . 1 . . . . . . . . . 6221 1 292 . 1 1 29 29 SER CA C 13 60.140 0.1 . 1 . . . . . . . . . 6221 1 293 . 1 1 29 29 SER HA H 1 4.421 0.01 . 1 . . . . . . . . . 6221 1 294 . 1 1 29 29 SER C C 13 178.070 0.1 . 1 . . . . . . . . . 6221 1 295 . 1 1 29 29 SER CB C 13 63.460 0.1 . 1 . . . . . . . . . 6221 1 296 . 1 1 29 29 SER HB2 H 1 3.977 0.01 . 2 . . . . . . . . . 6221 1 297 . 1 1 29 29 SER HB3 H 1 4.008 0.01 . 2 . . . . . . . . . 6221 1 298 . 1 1 30 30 ILE H H 1 8.032 0.01 . 1 . . . . . . . . . 6221 1 299 . 1 1 30 30 ILE N N 15 124.920 0.1 . 1 . . . . . . . . . 6221 1 300 . 1 1 30 30 ILE CA C 13 63.110 0.1 . 1 . . . . . . . . . 6221 1 301 . 1 1 30 30 ILE HA H 1 3.876 0.01 . 1 . . . . . . . . . 6221 1 302 . 1 1 30 30 ILE C C 13 177.670 0.1 . 1 . . . . . . . . . 6221 1 303 . 1 1 30 30 ILE CB C 13 36.950 0.1 . 1 . . . . . . . . . 6221 1 304 . 1 1 30 30 ILE HB H 1 1.647 0.01 . 1 . . . . . . . . . 6221 1 305 . 1 1 30 30 ILE HG21 H 1 0.092 0.01 . 1 . . . . . . . . . 6221 1 306 . 1 1 30 30 ILE HG22 H 1 0.092 0.01 . 1 . . . . . . . . . 6221 1 307 . 1 1 30 30 ILE HG23 H 1 0.092 0.01 . 1 . . . . . . . . . 6221 1 308 . 1 1 30 30 ILE HG12 H 1 1.151 0.01 . 2 . . . . . . . . . 6221 1 309 . 1 1 30 30 ILE HG13 H 1 0.848 0.01 . 2 . . . . . . . . . 6221 1 310 . 1 1 30 30 ILE HD11 H 1 0.509 0.01 . 1 . . . . . . . . . 6221 1 311 . 1 1 30 30 ILE HD12 H 1 0.509 0.01 . 1 . . . . . . . . . 6221 1 312 . 1 1 30 30 ILE HD13 H 1 0.509 0.01 . 1 . . . . . . . . . 6221 1 313 . 1 1 31 31 TRP H H 1 7.206 0.01 . 1 . . . . . . . . . 6221 1 314 . 1 1 31 31 TRP N N 15 120.660 0.1 . 1 . . . . . . . . . 6221 1 315 . 1 1 31 31 TRP CA C 13 59.420 0.1 . 1 . . . . . . . . . 6221 1 316 . 1 1 31 31 TRP HA H 1 4.429 0.01 . 1 . . . . . . . . . 6221 1 317 . 1 1 31 31 TRP C C 13 179.200 0.1 . 1 . . . . . . . . . 6221 1 318 . 1 1 31 31 TRP CB C 13 29.900 0.1 . 1 . . . . . . . . . 6221 1 319 . 1 1 31 31 TRP HB2 H 1 3.125 0.01 . 2 . . . . . . . . . 6221 1 320 . 1 1 31 31 TRP HB3 H 1 3.391 0.01 . 2 . . . . . . . . . 6221 1 321 . 1 1 31 31 TRP HD1 H 1 7.210 0.01 . 1 . . . . . . . . . 6221 1 322 . 1 1 31 31 TRP NE1 N 15 128.967 0.1 . 1 . . . . . . . . . 6221 1 323 . 1 1 31 31 TRP HE1 H 1 10.465 0.01 . 1 . . . . . . . . . 6221 1 324 . 1 1 31 31 TRP HE3 H 1 6.572 0.01 . 1 . . . . . . . . . 6221 1 325 . 1 1 31 31 TRP HZ2 H 1 7.117 0.01 . 1 . . . . . . . . . 6221 1 326 . 1 1 31 31 TRP HZ3 H 1 7.127 0.01 . 1 . . . . . . . . . 6221 1 327 . 1 1 31 31 TRP HH2 H 1 5.543 0.01 . 1 . . . . . . . . . 6221 1 328 . 1 1 32 32 ASP H H 1 8.413 0.01 . 1 . . . . . . . . . 6221 1 329 . 1 1 32 32 ASP N N 15 117.842 0.1 . 1 . . . . . . . . . 6221 1 330 . 1 1 32 32 ASP CA C 13 57.960 0.1 . 1 . . . . . . . . . 6221 1 331 . 1 1 32 32 ASP HA H 1 4.838 0.01 . 1 . . . . . . . . . 6221 1 332 . 1 1 32 32 ASP C C 13 180.040 0.1 . 1 . . . . . . . . . 6221 1 333 . 1 1 32 32 ASP CB C 13 40.420 0.1 . 1 . . . . . . . . . 6221 1 334 . 1 1 32 32 ASP HB2 H 1 2.815 0.01 . 2 . . . . . . . . . 6221 1 335 . 1 1 32 32 ASP HB3 H 1 2.765 0.01 . 2 . . . . . . . . . 6221 1 336 . 1 1 33 33 ALA H H 1 7.657 0.01 . 1 . . . . . . . . . 6221 1 337 . 1 1 33 33 ALA N N 15 124.890 0.1 . 1 . . . . . . . . . 6221 1 338 . 1 1 33 33 ALA CA C 13 54.980 0.1 . 1 . . . . . . . . . 6221 1 339 . 1 1 33 33 ALA HA H 1 4.251 0.01 . 1 . . . . . . . . . 6221 1 340 . 1 1 33 33 ALA C C 13 182.210 0.1 . 1 . . . . . . . . . 6221 1 341 . 1 1 33 33 ALA CB C 13 18.050 0.1 . 1 . . . . . . . . . 6221 1 342 . 1 1 33 33 ALA HB1 H 1 1.522 0.01 . 1 . . . . . . . . . 6221 1 343 . 1 1 33 33 ALA HB2 H 1 1.522 0.01 . 1 . . . . . . . . . 6221 1 344 . 1 1 33 33 ALA HB3 H 1 1.522 0.01 . 1 . . . . . . . . . 6221 1 345 . 1 1 34 34 ILE H H 1 8.529 0.01 . 1 . . . . . . . . . 6221 1 346 . 1 1 34 34 ILE N N 15 122.150 0.1 . 1 . . . . . . . . . 6221 1 347 . 1 1 34 34 ILE CA C 13 66.680 0.1 . 1 . . . . . . . . . 6221 1 348 . 1 1 34 34 ILE HA H 1 3.399 0.01 . 1 . . . . . . . . . 6221 1 349 . 1 1 34 34 ILE C C 13 178.260 0.1 . 1 . . . . . . . . . 6221 1 350 . 1 1 34 34 ILE CB C 13 37.060 0.1 . 1 . . . . . . . . . 6221 1 351 . 1 1 35 35 ALA H H 1 8.801 0.01 . 1 . . . . . . . . . 6221 1 352 . 1 1 35 35 ALA N N 15 122.840 0.1 . 1 . . . . . . . . . 6221 1 353 . 1 1 35 35 ALA CA C 13 54.300 0.1 . 1 . . . . . . . . . 6221 1 354 . 1 1 35 35 ALA HA H 1 4.315 0.01 . 1 . . . . . . . . . 6221 1 355 . 1 1 35 35 ALA C C 13 183.240 0.1 . 1 . . . . . . . . . 6221 1 356 . 1 1 35 35 ALA CB C 13 18.690 0.1 . 1 . . . . . . . . . 6221 1 357 . 1 1 35 35 ALA HB1 H 1 0.482 0.01 . 1 . . . . . . . . . 6221 1 358 . 1 1 35 35 ALA HB2 H 1 0.482 0.01 . 1 . . . . . . . . . 6221 1 359 . 1 1 35 35 ALA HB3 H 1 0.482 0.01 . 1 . . . . . . . . . 6221 1 360 . 1 1 36 36 GLY H H 1 8.286 0.01 . 1 . . . . . . . . . 6221 1 361 . 1 1 36 36 GLY N N 15 109.530 0.1 . 1 . . . . . . . . . 6221 1 362 . 1 1 36 36 GLY CA C 13 47.390 0.1 . 1 . . . . . . . . . 6221 1 363 . 1 1 36 36 GLY HA2 H 1 3.837 0.01 . 2 . . . . . . . . . 6221 1 364 . 1 1 36 36 GLY HA3 H 1 3.513 0.01 . 2 . . . . . . . . . 6221 1 365 . 1 1 36 36 GLY C C 13 174.860 0.1 . 1 . . . . . . . . . 6221 1 366 . 1 1 37 37 CYS H H 1 7.276 0.01 . 1 . . . . . . . . . 6221 1 367 . 1 1 37 37 CYS N N 15 121.100 0.1 . 1 . . . . . . . . . 6221 1 368 . 1 1 37 37 CYS CA C 13 58.020 0.1 . 1 . . . . . . . . . 6221 1 369 . 1 1 37 37 CYS HA H 1 4.315 0.01 . 1 . . . . . . . . . 6221 1 370 . 1 1 37 37 CYS C C 13 176.430 0.1 . 1 . . . . . . . . . 6221 1 371 . 1 1 37 37 CYS CB C 13 38.330 0.1 . 1 . . . . . . . . . 6221 1 372 . 1 1 37 37 CYS HB2 H 1 3.211 0.01 . 2 . . . . . . . . . 6221 1 373 . 1 1 37 37 CYS HB3 H 1 3.134 0.01 . 2 . . . . . . . . . 6221 1 374 . 1 1 38 38 GLU H H 1 9.252 0.01 . 1 . . . . . . . . . 6221 1 375 . 1 1 38 38 GLU N N 15 118.750 0.1 . 1 . . . . . . . . . 6221 1 376 . 1 1 38 38 GLU CA C 13 57.650 0.1 . 1 . . . . . . . . . 6221 1 377 . 1 1 38 38 GLU HA H 1 4.098 0.01 . 1 . . . . . . . . . 6221 1 378 . 1 1 38 38 GLU C C 13 178.690 0.1 . 1 . . . . . . . . . 6221 1 379 . 1 1 38 38 GLU CB C 13 29.290 0.1 . 1 . . . . . . . . . 6221 1 380 . 1 1 38 38 GLU HB2 H 1 2.074 0.01 . 2 . . . . . . . . . 6221 1 381 . 1 1 38 38 GLU HB3 H 1 1.761 0.01 . 2 . . . . . . . . . 6221 1 382 . 1 1 38 38 GLU HG2 H 1 2.533 0.01 . 2 . . . . . . . . . 6221 1 383 . 1 1 38 38 GLU HG3 H 1 2.220 0.01 . 2 . . . . . . . . . 6221 1 384 . 1 1 39 39 ALA H H 1 7.790 0.01 . 1 . . . . . . . . . 6221 1 385 . 1 1 39 39 ALA N N 15 117.940 0.1 . 1 . . . . . . . . . 6221 1 386 . 1 1 39 39 ALA CA C 13 51.660 0.1 . 1 . . . . . . . . . 6221 1 387 . 1 1 39 39 ALA HA H 1 4.586 0.01 . 1 . . . . . . . . . 6221 1 388 . 1 1 39 39 ALA C C 13 179.190 0.1 . 1 . . . . . . . . . 6221 1 389 . 1 1 39 39 ALA CB C 13 22.350 0.1 . 1 . . . . . . . . . 6221 1 390 . 1 1 39 39 ALA HB1 H 1 1.354 0.01 . 1 . . . . . . . . . 6221 1 391 . 1 1 39 39 ALA HB2 H 1 1.354 0.01 . 1 . . . . . . . . . 6221 1 392 . 1 1 39 39 ALA HB3 H 1 1.354 0.01 . 1 . . . . . . . . . 6221 1 393 . 1 1 40 40 GLY H H 1 7.708 0.01 . 1 . . . . . . . . . 6221 1 394 . 1 1 40 40 GLY N N 15 111.610 0.1 . 1 . . . . . . . . . 6221 1 395 . 1 1 40 40 GLY CA C 13 47.310 0.1 . 1 . . . . . . . . . 6221 1 396 . 1 1 40 40 GLY HA2 H 1 3.898 0.01 . 2 . . . . . . . . . 6221 1 397 . 1 1 40 40 GLY HA3 H 1 4.140 0.01 . 2 . . . . . . . . . 6221 1 398 . 1 1 40 40 GLY C C 13 175.800 0.1 . 1 . . . . . . . . . 6221 1 399 . 1 1 41 41 GLY H H 1 7.892 0.01 . 1 . . . . . . . . . 6221 1 400 . 1 1 41 41 GLY N N 15 104.580 0.1 . 1 . . . . . . . . . 6221 1 401 . 1 1 41 41 GLY CA C 13 44.750 0.1 . 1 . . . . . . . . . 6221 1 402 . 1 1 41 41 GLY HA2 H 1 3.121 0.01 . 1 . . . . . . . . . 6221 1 403 . 1 1 41 41 GLY HA3 H 1 4.126 0.01 . 1 . . . . . . . . . 6221 1 404 . 1 1 41 41 GLY C C 13 172.450 0.1 . 1 . . . . . . . . . 6221 1 405 . 1 1 42 42 ASN H H 1 7.090 0.01 . 1 . . . . . . . . . 6221 1 406 . 1 1 42 42 ASN N N 15 116.400 0.1 . 1 . . . . . . . . . 6221 1 407 . 1 1 42 42 ASN CA C 13 51.190 0.1 . 1 . . . . . . . . . 6221 1 408 . 1 1 42 42 ASN HA H 1 4.878 0.01 . 1 . . . . . . . . . 6221 1 409 . 1 1 42 42 ASN C C 13 176.030 0.1 . 1 . . . . . . . . . 6221 1 410 . 1 1 42 42 ASN CB C 13 37.520 0.1 . 1 . . . . . . . . . 6221 1 411 . 1 1 42 42 ASN HB2 H 1 3.218 0.01 . 2 . . . . . . . . . 6221 1 412 . 1 1 42 42 ASN HB3 H 1 2.744 0.01 . 2 . . . . . . . . . 6221 1 413 . 1 1 42 42 ASN ND2 N 15 109.485 0.1 . 1 . . . . . . . . . 6221 1 414 . 1 1 42 42 ASN HD21 H 1 7.742 0.01 . 2 . . . . . . . . . 6221 1 415 . 1 1 42 42 ASN HD22 H 1 7.063 0.01 . 2 . . . . . . . . . 6221 1 416 . 1 1 43 43 TRP H H 1 8.580 0.01 . 1 . . . . . . . . . 6221 1 417 . 1 1 43 43 TRP N N 15 123.914 0.1 . 1 . . . . . . . . . 6221 1 418 . 1 1 43 43 TRP CA C 13 60.830 0.1 . 1 . . . . . . . . . 6221 1 419 . 1 1 43 43 TRP HA H 1 3.850 0.01 . 1 . . . . . . . . . 6221 1 420 . 1 1 43 43 TRP C C 13 175.810 0.1 . 1 . . . . . . . . . 6221 1 421 . 1 1 43 43 TRP CB C 13 27.570 0.1 . 1 . . . . . . . . . 6221 1 422 . 1 1 43 43 TRP HB2 H 1 3.524 0.01 . 2 . . . . . . . . . 6221 1 423 . 1 1 43 43 TRP HB3 H 1 3.111 0.01 . 2 . . . . . . . . . 6221 1 424 . 1 1 43 43 TRP HD1 H 1 7.511 0.01 . 1 . . . . . . . . . 6221 1 425 . 1 1 43 43 TRP NE1 N 15 129.377 0.1 . 1 . . . . . . . . . 6221 1 426 . 1 1 43 43 TRP HE1 H 1 10.490 0.01 . 1 . . . . . . . . . 6221 1 427 . 1 1 43 43 TRP HE3 H 1 7.758 0.01 . 1 . . . . . . . . . 6221 1 428 . 1 1 43 43 TRP HZ2 H 1 7.587 0.01 . 1 . . . . . . . . . 6221 1 429 . 1 1 43 43 TRP HZ3 H 1 6.875 0.01 . 1 . . . . . . . . . 6221 1 430 . 1 1 43 43 TRP HH2 H 1 6.817 0.01 . 1 . . . . . . . . . 6221 1 431 . 1 1 44 44 ALA H H 1 7.990 0.01 . 1 . . . . . . . . . 6221 1 432 . 1 1 44 44 ALA N N 15 119.840 0.1 . 1 . . . . . . . . . 6221 1 433 . 1 1 44 44 ALA CA C 13 50.360 0.1 . 1 . . . . . . . . . 6221 1 434 . 1 1 44 44 ALA HA H 1 5.113 0.01 . 1 . . . . . . . . . 6221 1 435 . 1 1 44 44 ALA C C 13 178.320 0.1 . 1 . . . . . . . . . 6221 1 436 . 1 1 44 44 ALA CB C 13 19.450 0.1 . 1 . . . . . . . . . 6221 1 437 . 1 1 44 44 ALA HB1 H 1 1.514 0.01 . 1 . . . . . . . . . 6221 1 438 . 1 1 44 44 ALA HB2 H 1 1.514 0.01 . 1 . . . . . . . . . 6221 1 439 . 1 1 44 44 ALA HB3 H 1 1.514 0.01 . 1 . . . . . . . . . 6221 1 440 . 1 1 45 45 ILE H H 1 6.818 0.01 . 1 . . . . . . . . . 6221 1 441 . 1 1 45 45 ILE N N 15 121.440 0.1 . 1 . . . . . . . . . 6221 1 442 . 1 1 45 45 ILE CA C 13 63.900 0.1 . 1 . . . . . . . . . 6221 1 443 . 1 1 45 45 ILE HA H 1 3.784 0.01 . 1 . . . . . . . . . 6221 1 444 . 1 1 45 45 ILE C C 13 173.600 0.1 . 1 . . . . . . . . . 6221 1 445 . 1 1 45 45 ILE CB C 13 38.880 0.1 . 1 . . . . . . . . . 6221 1 446 . 1 1 45 45 ILE HB H 1 1.832 0.01 . 1 . . . . . . . . . 6221 1 447 . 1 1 45 45 ILE HG21 H 1 0.767 0.01 . 1 . . . . . . . . . 6221 1 448 . 1 1 45 45 ILE HG22 H 1 0.767 0.01 . 1 . . . . . . . . . 6221 1 449 . 1 1 45 45 ILE HG23 H 1 0.767 0.01 . 1 . . . . . . . . . 6221 1 450 . 1 1 45 45 ILE HG12 H 1 1.369 0.01 . 2 . . . . . . . . . 6221 1 451 . 1 1 45 45 ILE HG13 H 1 1.329 0.01 . 2 . . . . . . . . . 6221 1 452 . 1 1 45 45 ILE HD11 H 1 0.902 0.01 . 1 . . . . . . . . . 6221 1 453 . 1 1 45 45 ILE HD12 H 1 0.902 0.01 . 1 . . . . . . . . . 6221 1 454 . 1 1 45 45 ILE HD13 H 1 0.902 0.01 . 1 . . . . . . . . . 6221 1 455 . 1 1 46 46 ASN H H 1 8.438 0.01 . 1 . . . . . . . . . 6221 1 456 . 1 1 46 46 ASN N N 15 121.700 0.1 . 1 . . . . . . . . . 6221 1 457 . 1 1 46 46 ASN CA C 13 52.680 0.1 . 1 . . . . . . . . . 6221 1 458 . 1 1 46 46 ASN HA H 1 4.767 0.01 . 1 . . . . . . . . . 6221 1 459 . 1 1 46 46 ASN C C 13 176.300 0.1 . 1 . . . . . . . . . 6221 1 460 . 1 1 46 46 ASN CB C 13 37.790 0.1 . 1 . . . . . . . . . 6221 1 461 . 1 1 46 46 ASN HB2 H 1 3.089 0.01 . 2 . . . . . . . . . 6221 1 462 . 1 1 46 46 ASN HB3 H 1 2.936 0.01 . 2 . . . . . . . . . 6221 1 463 . 1 1 46 46 ASN ND2 N 15 108.846 0.1 . 1 . . . . . . . . . 6221 1 464 . 1 1 46 46 ASN HD21 H 1 7.270 0.01 . 2 . . . . . . . . . 6221 1 465 . 1 1 46 46 ASN HD22 H 1 7.210 0.01 . 2 . . . . . . . . . 6221 1 466 . 1 1 47 47 THR H H 1 9.043 0.01 . 1 . . . . . . . . . 6221 1 467 . 1 1 47 47 THR N N 15 113.710 0.1 . 1 . . . . . . . . . 6221 1 468 . 1 1 47 47 THR CA C 13 61.640 0.1 . 1 . . . . . . . . . 6221 1 469 . 1 1 47 47 THR HA H 1 4.386 0.01 . 1 . . . . . . . . . 6221 1 470 . 1 1 47 47 THR C C 13 176.830 0.1 . 1 . . . . . . . . . 6221 1 471 . 1 1 47 47 THR CB C 13 69.490 0.1 . 1 . . . . . . . . . 6221 1 472 . 1 1 47 47 THR HB H 1 4.523 0.01 . 1 . . . . . . . . . 6221 1 473 . 1 1 47 47 THR HG21 H 1 1.253 0.01 . 1 . . . . . . . . . 6221 1 474 . 1 1 47 47 THR HG22 H 1 1.253 0.01 . 1 . . . . . . . . . 6221 1 475 . 1 1 47 47 THR HG23 H 1 1.253 0.01 . 1 . . . . . . . . . 6221 1 476 . 1 1 48 48 GLY H H 1 8.591 0.01 . 1 . . . . . . . . . 6221 1 477 . 1 1 48 48 GLY N N 15 110.810 0.1 . 1 . . . . . . . . . 6221 1 478 . 1 1 48 48 GLY CA C 13 45.840 0.1 . 1 . . . . . . . . . 6221 1 479 . 1 1 48 48 GLY HA2 H 1 4.240 0.01 . 2 . . . . . . . . . 6221 1 480 . 1 1 48 48 GLY HA3 H 1 3.937 0.01 . 2 . . . . . . . . . 6221 1 481 . 1 1 48 48 GLY C C 13 175.080 0.1 . 1 . . . . . . . . . 6221 1 482 . 1 1 49 49 ASN H H 1 7.889 0.01 . 1 . . . . . . . . . 6221 1 483 . 1 1 49 49 ASN N N 15 117.800 0.1 . 1 . . . . . . . . . 6221 1 484 . 1 1 49 49 ASN CA C 13 52.190 0.1 . 1 . . . . . . . . . 6221 1 485 . 1 1 49 49 ASN HA H 1 4.625 0.01 . 1 . . . . . . . . . 6221 1 486 . 1 1 49 49 ASN C C 13 176.030 0.1 . 1 . . . . . . . . . 6221 1 487 . 1 1 49 49 ASN CB C 13 38.250 0.1 . 1 . . . . . . . . . 6221 1 488 . 1 1 49 49 ASN HB2 H 1 3.310 0.01 . 2 . . . . . . . . . 6221 1 489 . 1 1 49 49 ASN HB3 H 1 2.708 0.01 . 2 . . . . . . . . . 6221 1 490 . 1 1 49 49 ASN ND2 N 15 108.521 0.1 . 1 . . . . . . . . . 6221 1 491 . 1 1 49 49 ASN HD21 H 1 7.502 0.01 . 2 . . . . . . . . . 6221 1 492 . 1 1 49 49 ASN HD22 H 1 6.998 0.01 . 2 . . . . . . . . . 6221 1 493 . 1 1 50 50 GLY H H 1 8.210 0.01 . 1 . . . . . . . . . 6221 1 494 . 1 1 50 50 GLY N N 15 107.450 0.1 . 1 . . . . . . . . . 6221 1 495 . 1 1 50 50 GLY CA C 13 44.650 0.1 . 1 . . . . . . . . . 6221 1 496 . 1 1 50 50 GLY HA2 H 1 3.302 0.01 . 2 . . . . . . . . . 6221 1 497 . 1 1 50 50 GLY HA3 H 1 3.946 0.01 . 2 . . . . . . . . . 6221 1 498 . 1 1 50 50 GLY C C 13 172.710 0.1 . 1 . . . . . . . . . 6221 1 499 . 1 1 51 51 TYR H H 1 7.543 0.01 . 1 . . . . . . . . . 6221 1 500 . 1 1 51 51 TYR N N 15 117.410 0.1 . 1 . . . . . . . . . 6221 1 501 . 1 1 51 51 TYR CA C 13 55.950 0.1 . 1 . . . . . . . . . 6221 1 502 . 1 1 51 51 TYR HA H 1 4.867 0.01 . 1 . . . . . . . . . 6221 1 503 . 1 1 51 51 TYR C C 13 177.010 0.1 . 1 . . . . . . . . . 6221 1 504 . 1 1 51 51 TYR CB C 13 41.140 0.1 . 1 . . . . . . . . . 6221 1 505 . 1 1 51 51 TYR HB2 H 1 2.476 0.01 . 2 . . . . . . . . . 6221 1 506 . 1 1 51 51 TYR HB3 H 1 2.124 0.01 . 2 . . . . . . . . . 6221 1 507 . 1 1 51 51 TYR HD1 H 1 6.919 0.01 . 3 . . . . . . . . . 6221 1 508 . 1 1 51 51 TYR HE1 H 1 6.861 0.01 . 3 . . . . . . . . . 6221 1 509 . 1 1 52 52 TYR H H 1 9.240 0.01 . 1 . . . . . . . . . 6221 1 510 . 1 1 52 52 TYR N N 15 117.230 0.1 . 1 . . . . . . . . . 6221 1 511 . 1 1 52 52 TYR CA C 13 58.260 0.1 . 1 . . . . . . . . . 6221 1 512 . 1 1 52 52 TYR HA H 1 4.927 0.01 . 1 . . . . . . . . . 6221 1 513 . 1 1 52 52 TYR C C 13 177.360 0.1 . 1 . . . . . . . . . 6221 1 514 . 1 1 52 52 TYR CB C 13 42.870 0.1 . 1 . . . . . . . . . 6221 1 515 . 1 1 52 52 TYR HB2 H 1 2.736 0.01 . 2 . . . . . . . . . 6221 1 516 . 1 1 52 52 TYR HB3 H 1 3.290 0.01 . 2 . . . . . . . . . 6221 1 517 . 1 1 52 52 TYR HD1 H 1 7.104 0.01 . 3 . . . . . . . . . 6221 1 518 . 1 1 52 52 TYR HE1 H 1 6.744 0.01 . 3 . . . . . . . . . 6221 1 519 . 1 1 53 53 GLY H H 1 9.174 0.01 . 1 . . . . . . . . . 6221 1 520 . 1 1 53 53 GLY N N 15 110.000 0.1 . 1 . . . . . . . . . 6221 1 521 . 1 1 53 53 GLY CA C 13 45.200 0.1 . 1 . . . . . . . . . 6221 1 522 . 1 1 53 53 GLY HA2 H 1 4.014 0.01 . 2 . . . . . . . . . 6221 1 523 . 1 1 53 53 GLY HA3 H 1 4.102 0.01 . 2 . . . . . . . . . 6221 1 524 . 1 1 53 53 GLY C C 13 175.940 0.1 . 1 . . . . . . . . . 6221 1 525 . 1 1 54 54 GLY H H 1 8.510 0.01 . 1 . . . . . . . . . 6221 1 526 . 1 1 54 54 GLY N N 15 106.500 0.1 . 1 . . . . . . . . . 6221 1 527 . 1 1 54 54 GLY CA C 13 47.000 0.1 . 1 . . . . . . . . . 6221 1 528 . 1 1 54 54 GLY C C 13 172.160 0.1 . 1 . . . . . . . . . 6221 1 529 . 1 1 55 55 VAL H H 1 8.590 0.01 . 1 . . . . . . . . . 6221 1 530 . 1 1 55 55 VAL N N 15 104.690 0.1 . 1 . . . . . . . . . 6221 1 531 . 1 1 55 55 VAL CA C 13 59.040 0.1 . 1 . . . . . . . . . 6221 1 532 . 1 1 55 55 VAL HA H 1 4.283 0.01 . 1 . . . . . . . . . 6221 1 533 . 1 1 55 55 VAL C C 13 175.440 0.1 . 1 . . . . . . . . . 6221 1 534 . 1 1 55 55 VAL CB C 13 30.170 0.1 . 1 . . . . . . . . . 6221 1 535 . 1 1 55 55 VAL HB H 1 2.213 0.01 . 1 . . . . . . . . . 6221 1 536 . 1 1 55 55 VAL HG11 H 1 0.617 0.01 . 2 . . . . . . . . . 6221 1 537 . 1 1 55 55 VAL HG12 H 1 0.617 0.01 . 2 . . . . . . . . . 6221 1 538 . 1 1 55 55 VAL HG13 H 1 0.617 0.01 . 2 . . . . . . . . . 6221 1 539 . 1 1 55 55 VAL HG21 H 1 0.663 0.01 . 2 . . . . . . . . . 6221 1 540 . 1 1 55 55 VAL HG22 H 1 0.663 0.01 . 2 . . . . . . . . . 6221 1 541 . 1 1 55 55 VAL HG23 H 1 0.663 0.01 . 2 . . . . . . . . . 6221 1 542 . 1 1 56 56 GLN H H 1 7.733 0.01 . 1 . . . . . . . . . 6221 1 543 . 1 1 56 56 GLN N N 15 112.970 0.1 . 1 . . . . . . . . . 6221 1 544 . 1 1 56 56 GLN CA C 13 55.510 0.1 . 1 . . . . . . . . . 6221 1 545 . 1 1 56 56 GLN HA H 1 3.474 0.01 . 1 . . . . . . . . . 6221 1 546 . 1 1 56 56 GLN C C 13 175.940 0.1 . 1 . . . . . . . . . 6221 1 547 . 1 1 56 56 GLN CB C 13 26.400 0.1 . 1 . . . . . . . . . 6221 1 548 . 1 1 56 56 GLN NE2 N 15 111.895 0.1 . 1 . . . . . . . . . 6221 1 549 . 1 1 56 56 GLN HE21 H 1 7.496 0.01 . 2 . . . . . . . . . 6221 1 550 . 1 1 56 56 GLN HE22 H 1 6.814 0.01 . 2 . . . . . . . . . 6221 1 551 . 1 1 57 57 PHE H H 1 7.568 0.01 . 1 . . . . . . . . . 6221 1 552 . 1 1 57 57 PHE N N 15 116.710 0.1 . 1 . . . . . . . . . 6221 1 553 . 1 1 57 57 PHE CA C 13 59.670 0.1 . 1 . . . . . . . . . 6221 1 554 . 1 1 57 57 PHE HA H 1 4.945 0.01 . 1 . . . . . . . . . 6221 1 555 . 1 1 57 57 PHE C C 13 180.330 0.1 . 1 . . . . . . . . . 6221 1 556 . 1 1 57 57 PHE CB C 13 41.850 0.1 . 1 . . . . . . . . . 6221 1 557 . 1 1 57 57 PHE HB2 H 1 3.791 0.01 . 2 . . . . . . . . . 6221 1 558 . 1 1 57 57 PHE HB3 H 1 2.797 0.01 . 2 . . . . . . . . . 6221 1 559 . 1 1 57 57 PHE HD1 H 1 7.793 0.01 . 3 . . . . . . . . . 6221 1 560 . 1 1 57 57 PHE HE1 H 1 7.677 0.01 . 3 . . . . . . . . . 6221 1 561 . 1 1 57 57 PHE HZ H 1 7.166 0.01 . 1 . . . . . . . . . 6221 1 562 . 1 1 58 58 ASP H H 1 9.017 0.01 . 1 . . . . . . . . . 6221 1 563 . 1 1 58 58 ASP N N 15 120.220 0.1 . 1 . . . . . . . . . 6221 1 564 . 1 1 58 58 ASP CA C 13 52.470 0.1 . 1 . . . . . . . . . 6221 1 565 . 1 1 58 58 ASP HA H 1 5.387 0.01 . 1 . . . . . . . . . 6221 1 566 . 1 1 58 58 ASP C C 13 176.980 0.1 . 1 . . . . . . . . . 6221 1 567 . 1 1 58 58 ASP CB C 13 41.260 0.1 . 1 . . . . . . . . . 6221 1 568 . 1 1 58 58 ASP HB2 H 1 3.171 0.01 . 2 . . . . . . . . . 6221 1 569 . 1 1 58 58 ASP HB3 H 1 2.833 0.01 . 2 . . . . . . . . . 6221 1 570 . 1 1 59 59 GLN H H 1 9.430 0.01 . 1 . . . . . . . . . 6221 1 571 . 1 1 59 59 GLN N N 15 121.600 0.1 . 1 . . . . . . . . . 6221 1 572 . 1 1 59 59 GLN CA C 13 58.800 0.1 . 1 . . . . . . . . . 6221 1 573 . 1 1 59 59 GLN HA H 1 4.133 0.01 . 1 . . . . . . . . . 6221 1 574 . 1 1 59 59 GLN C C 13 179.240 0.1 . 1 . . . . . . . . . 6221 1 575 . 1 1 59 59 GLN CB C 13 27.550 0.1 . 1 . . . . . . . . . 6221 1 576 . 1 1 59 59 GLN HB2 H 1 2.306 0.01 . 2 . . . . . . . . . 6221 1 577 . 1 1 59 59 GLN HB3 H 1 1.964 0.01 . 2 . . . . . . . . . 6221 1 578 . 1 1 59 59 GLN HG2 H 1 2.478 0.01 . 2 . . . . . . . . . 6221 1 579 . 1 1 59 59 GLN HG3 H 1 2.444 0.01 . 2 . . . . . . . . . 6221 1 580 . 1 1 59 59 GLN NE2 N 15 112.363 0.1 . 1 . . . . . . . . . 6221 1 581 . 1 1 59 59 GLN HE21 H 1 8.854 0.01 . 2 . . . . . . . . . 6221 1 582 . 1 1 59 59 GLN HE22 H 1 7.486 0.01 . 2 . . . . . . . . . 6221 1 583 . 1 1 60 60 GLY H H 1 8.776 0.01 . 1 . . . . . . . . . 6221 1 584 . 1 1 60 60 GLY N N 15 106.100 0.1 . 1 . . . . . . . . . 6221 1 585 . 1 1 60 60 GLY CA C 13 47.320 0.1 . 1 . . . . . . . . . 6221 1 586 . 1 1 60 60 GLY HA2 H 1 3.880 0.01 . 2 . . . . . . . . . 6221 1 587 . 1 1 60 60 GLY HA3 H 1 3.976 0.01 . 2 . . . . . . . . . 6221 1 588 . 1 1 60 60 GLY C C 13 177.940 0.1 . 1 . . . . . . . . . 6221 1 589 . 1 1 61 61 THR H H 1 8.653 0.01 . 1 . . . . . . . . . 6221 1 590 . 1 1 61 61 THR N N 15 120.878 0.1 . 1 . . . . . . . . . 6221 1 591 . 1 1 61 61 THR CA C 13 67.140 0.1 . 1 . . . . . . . . . 6221 1 592 . 1 1 61 61 THR HA H 1 3.994 0.01 . 1 . . . . . . . . . 6221 1 593 . 1 1 61 61 THR C C 13 177.160 0.1 . 1 . . . . . . . . . 6221 1 594 . 1 1 61 61 THR HB H 1 4.457 0.01 . 1 . . . . . . . . . 6221 1 595 . 1 1 61 61 THR HG21 H 1 1.415 0.01 . 1 . . . . . . . . . 6221 1 596 . 1 1 61 61 THR HG22 H 1 1.415 0.01 . 1 . . . . . . . . . 6221 1 597 . 1 1 61 61 THR HG23 H 1 1.415 0.01 . 1 . . . . . . . . . 6221 1 598 . 1 1 62 62 TRP H H 1 8.130 0.01 . 1 . . . . . . . . . 6221 1 599 . 1 1 62 62 TRP N N 15 122.310 0.1 . 1 . . . . . . . . . 6221 1 600 . 1 1 62 62 TRP CA C 13 60.460 0.1 . 1 . . . . . . . . . 6221 1 601 . 1 1 62 62 TRP HA H 1 3.841 0.01 . 1 . . . . . . . . . 6221 1 602 . 1 1 62 62 TRP C C 13 177.860 0.1 . 1 . . . . . . . . . 6221 1 603 . 1 1 62 62 TRP CB C 13 30.460 0.1 . 1 . . . . . . . . . 6221 1 604 . 1 1 62 62 TRP HB2 H 1 3.477 0.01 . 2 . . . . . . . . . 6221 1 605 . 1 1 62 62 TRP HB3 H 1 3.086 0.01 . 2 . . . . . . . . . 6221 1 606 . 1 1 62 62 TRP HD1 H 1 6.752 0.01 . 1 . . . . . . . . . 6221 1 607 . 1 1 62 62 TRP NE1 N 15 127.031 0.1 . 1 . . . . . . . . . 6221 1 608 . 1 1 62 62 TRP HE1 H 1 9.409 0.01 . 1 . . . . . . . . . 6221 1 609 . 1 1 62 62 TRP HE3 H 1 6.185 0.01 . 1 . . . . . . . . . 6221 1 610 . 1 1 62 62 TRP HZ2 H 1 7.190 0.01 . 1 . . . . . . . . . 6221 1 611 . 1 1 62 62 TRP HZ3 H 1 7.917 0.01 . 1 . . . . . . . . . 6221 1 612 . 1 1 62 62 TRP HH2 H 1 7.676 0.01 . 1 . . . . . . . . . 6221 1 613 . 1 1 63 63 GLU H H 1 8.397 0.01 . 1 . . . . . . . . . 6221 1 614 . 1 1 63 63 GLU N N 15 114.105 0.1 . 1 . . . . . . . . . 6221 1 615 . 1 1 63 63 GLU CA C 13 59.270 0.1 . 1 . . . . . . . . . 6221 1 616 . 1 1 63 63 GLU HA H 1 3.699 0.01 . 1 . . . . . . . . . 6221 1 617 . 1 1 63 63 GLU C C 13 181.210 0.1 . 1 . . . . . . . . . 6221 1 618 . 1 1 63 63 GLU CB C 13 29.270 0.1 . 1 . . . . . . . . . 6221 1 619 . 1 1 64 64 ALA H H 1 8.586 0.01 . 1 . . . . . . . . . 6221 1 620 . 1 1 64 64 ALA N N 15 121.345 0.1 . 1 . . . . . . . . . 6221 1 621 . 1 1 64 64 ALA CA C 13 54.610 0.1 . 1 . . . . . . . . . 6221 1 622 . 1 1 64 64 ALA HA H 1 4.133 0.01 . 1 . . . . . . . . . 6221 1 623 . 1 1 64 64 ALA C C 13 179.110 0.1 . 1 . . . . . . . . . 6221 1 624 . 1 1 64 64 ALA CB C 13 18.780 0.1 . 1 . . . . . . . . . 6221 1 625 . 1 1 64 64 ALA HB1 H 1 1.490 0.01 . 1 . . . . . . . . . 6221 1 626 . 1 1 64 64 ALA HB2 H 1 1.490 0.01 . 1 . . . . . . . . . 6221 1 627 . 1 1 64 64 ALA HB3 H 1 1.490 0.01 . 1 . . . . . . . . . 6221 1 628 . 1 1 65 65 ASN H H 1 7.117 0.01 . 1 . . . . . . . . . 6221 1 629 . 1 1 65 65 ASN N N 15 112.410 0.1 . 1 . . . . . . . . . 6221 1 630 . 1 1 65 65 ASN CA C 13 52.770 0.1 . 1 . . . . . . . . . 6221 1 631 . 1 1 65 65 ASN HA H 1 4.790 0.01 . 1 . . . . . . . . . 6221 1 632 . 1 1 65 65 ASN C C 13 174.310 0.1 . 1 . . . . . . . . . 6221 1 633 . 1 1 65 65 ASN CB C 13 39.870 0.1 . 1 . . . . . . . . . 6221 1 634 . 1 1 65 65 ASN HB2 H 1 2.926 0.01 . 2 . . . . . . . . . 6221 1 635 . 1 1 65 65 ASN HB3 H 1 2.284 0.01 . 2 . . . . . . . . . 6221 1 636 . 1 1 65 65 ASN ND2 N 15 115.387 0.1 . 1 . . . . . . . . . 6221 1 637 . 1 1 65 65 ASN HD21 H 1 7.684 0.01 . 2 . . . . . . . . . 6221 1 638 . 1 1 65 65 ASN HD22 H 1 7.293 0.01 . 2 . . . . . . . . . 6221 1 639 . 1 1 66 66 GLY H H 1 7.019 0.01 . 1 . . . . . . . . . 6221 1 640 . 1 1 66 66 GLY N N 15 103.680 0.1 . 1 . . . . . . . . . 6221 1 641 . 1 1 66 66 GLY CA C 13 45.780 0.1 . 1 . . . . . . . . . 6221 1 642 . 1 1 66 66 GLY HA2 H 1 4.010 0.01 . 2 . . . . . . . . . 6221 1 643 . 1 1 66 66 GLY HA3 H 1 3.666 0.01 . 2 . . . . . . . . . 6221 1 644 . 1 1 66 66 GLY C C 13 176.770 0.1 . 1 . . . . . . . . . 6221 1 645 . 1 1 67 67 GLY H H 1 8.108 0.01 . 1 . . . . . . . . . 6221 1 646 . 1 1 67 67 GLY N N 15 107.180 0.1 . 1 . . . . . . . . . 6221 1 647 . 1 1 67 67 GLY CA C 13 45.920 0.1 . 1 . . . . . . . . . 6221 1 648 . 1 1 67 67 GLY C C 13 175.620 0.1 . 1 . . . . . . . . . 6221 1 649 . 1 1 68 68 LEU H H 1 8.405 0.01 . 1 . . . . . . . . . 6221 1 650 . 1 1 68 68 LEU N N 15 115.720 0.1 . 1 . . . . . . . . . 6221 1 651 . 1 1 68 68 LEU CA C 13 56.200 0.1 . 1 . . . . . . . . . 6221 1 652 . 1 1 68 68 LEU HA H 1 4.314 0.01 . 1 . . . . . . . . . 6221 1 653 . 1 1 68 68 LEU C C 13 179.750 0.1 . 1 . . . . . . . . . 6221 1 654 . 1 1 68 68 LEU CB C 13 39.960 0.1 . 1 . . . . . . . . . 6221 1 655 . 1 1 68 68 LEU HB2 H 1 1.654 0.01 . 2 . . . . . . . . . 6221 1 656 . 1 1 68 68 LEU HB3 H 1 1.540 0.01 . 2 . . . . . . . . . 6221 1 657 . 1 1 68 68 LEU HD11 H 1 0.998 0.01 . 2 . . . . . . . . . 6221 1 658 . 1 1 68 68 LEU HD12 H 1 0.998 0.01 . 2 . . . . . . . . . 6221 1 659 . 1 1 68 68 LEU HD13 H 1 0.998 0.01 . 2 . . . . . . . . . 6221 1 660 . 1 1 68 68 LEU HD21 H 1 0.845 0.01 . 2 . . . . . . . . . 6221 1 661 . 1 1 68 68 LEU HD22 H 1 0.845 0.01 . 2 . . . . . . . . . 6221 1 662 . 1 1 68 68 LEU HD23 H 1 0.845 0.01 . 2 . . . . . . . . . 6221 1 663 . 1 1 68 68 LEU HG H 1 1.315 0.01 . 1 . . . . . . . . . 6221 1 664 . 1 1 69 69 ARG H H 1 7.099 0.01 . 1 . . . . . . . . . 6221 1 665 . 1 1 69 69 ARG N N 15 116.690 0.1 . 1 . . . . . . . . . 6221 1 666 . 1 1 69 69 ARG CA C 13 57.680 0.1 . 1 . . . . . . . . . 6221 1 667 . 1 1 69 69 ARG HA H 1 3.784 0.01 . 1 . . . . . . . . . 6221 1 668 . 1 1 69 69 ARG C C 13 176.950 0.1 . 1 . . . . . . . . . 6221 1 669 . 1 1 69 69 ARG CB C 13 29.830 0.1 . 1 . . . . . . . . . 6221 1 670 . 1 1 69 69 ARG HB2 H 1 1.312 0.01 . 2 . . . . . . . . . 6221 1 671 . 1 1 69 69 ARG HB3 H 1 1.322 0.01 . 2 . . . . . . . . . 6221 1 672 . 1 1 69 69 ARG HG2 H 1 1.055 0.01 . 2 . . . . . . . . . 6221 1 673 . 1 1 69 69 ARG HG3 H 1 1.021 0.01 . 2 . . . . . . . . . 6221 1 674 . 1 1 69 69 ARG HD2 H 1 2.815 0.01 . 2 . . . . . . . . . 6221 1 675 . 1 1 69 69 ARG HD3 H 1 2.783 0.01 . 2 . . . . . . . . . 6221 1 676 . 1 1 69 69 ARG NE N 15 84.102 0.1 . 1 . . . . . . . . . 6221 1 677 . 1 1 69 69 ARG HE H 1 6.932 0.01 . 1 . . . . . . . . . 6221 1 678 . 1 1 70 70 TYR H H 1 7.768 0.01 . 1 . . . . . . . . . 6221 1 679 . 1 1 70 70 TYR N N 15 116.560 0.1 . 1 . . . . . . . . . 6221 1 680 . 1 1 70 70 TYR CA C 13 58.080 0.1 . 1 . . . . . . . . . 6221 1 681 . 1 1 70 70 TYR HA H 1 4.756 0.01 . 1 . . . . . . . . . 6221 1 682 . 1 1 70 70 TYR C C 13 176.510 0.1 . 1 . . . . . . . . . 6221 1 683 . 1 1 70 70 TYR CB C 13 39.730 0.1 . 1 . . . . . . . . . 6221 1 684 . 1 1 70 70 TYR HB2 H 1 2.936 0.01 . 2 . . . . . . . . . 6221 1 685 . 1 1 70 70 TYR HB3 H 1 3.294 0.01 . 2 . . . . . . . . . 6221 1 686 . 1 1 70 70 TYR HD1 H 1 6.924 0.01 . 3 . . . . . . . . . 6221 1 687 . 1 1 70 70 TYR HE1 H 1 6.656 0.01 . 3 . . . . . . . . . 6221 1 688 . 1 1 71 71 ALA H H 1 8.625 0.01 . 1 . . . . . . . . . 6221 1 689 . 1 1 71 71 ALA N N 15 118.280 0.1 . 1 . . . . . . . . . 6221 1 690 . 1 1 71 71 ALA CA C 13 51.710 0.1 . 1 . . . . . . . . . 6221 1 691 . 1 1 71 71 ALA HA H 1 4.831 0.01 . 1 . . . . . . . . . 6221 1 692 . 1 1 71 71 ALA C C 13 176.880 0.1 . 1 . . . . . . . . . 6221 1 693 . 1 1 71 71 ALA CB C 13 21.190 0.1 . 1 . . . . . . . . . 6221 1 694 . 1 1 71 71 ALA HB1 H 1 1.518 0.01 . 1 . . . . . . . . . 6221 1 695 . 1 1 71 71 ALA HB2 H 1 1.518 0.01 . 1 . . . . . . . . . 6221 1 696 . 1 1 71 71 ALA HB3 H 1 1.518 0.01 . 1 . . . . . . . . . 6221 1 697 . 1 1 72 72 PRO CA C 13 64.580 0.1 . 1 . . . . . . . . . 6221 1 698 . 1 1 72 72 PRO HA H 1 4.330 0.01 . 1 . . . . . . . . . 6221 1 699 . 1 1 72 72 PRO C C 13 176.160 0.1 . 1 . . . . . . . . . 6221 1 700 . 1 1 72 72 PRO CB C 13 32.620 0.1 . 1 . . . . . . . . . 6221 1 701 . 1 1 72 72 PRO HB2 H 1 2.448 0.01 . 2 . . . . . . . . . 6221 1 702 . 1 1 72 72 PRO HB3 H 1 1.696 0.01 . 2 . . . . . . . . . 6221 1 703 . 1 1 72 72 PRO HG2 H 1 2.044 0.01 . 2 . . . . . . . . . 6221 1 704 . 1 1 72 72 PRO HG3 H 1 1.994 0.01 . 2 . . . . . . . . . 6221 1 705 . 1 1 72 72 PRO HD2 H 1 3.912 0.01 . 2 . . . . . . . . . 6221 1 706 . 1 1 72 72 PRO HD3 H 1 3.556 0.01 . 2 . . . . . . . . . 6221 1 707 . 1 1 73 73 ARG H H 1 6.731 0.01 . 1 . . . . . . . . . 6221 1 708 . 1 1 73 73 ARG N N 15 108.850 0.1 . 1 . . . . . . . . . 6221 1 709 . 1 1 73 73 ARG CA C 13 53.420 0.1 . 1 . . . . . . . . . 6221 1 710 . 1 1 73 73 ARG HA H 1 3.960 0.01 . 1 . . . . . . . . . 6221 1 711 . 1 1 73 73 ARG C C 13 177.030 0.1 . 1 . . . . . . . . . 6221 1 712 . 1 1 73 73 ARG CB C 13 38.810 0.1 . 1 . . . . . . . . . 6221 1 713 . 1 1 73 73 ARG HB2 H 1 1.376 0.01 . 4 . . . . . . . . . 6221 1 714 . 1 1 73 73 ARG HB3 H 1 1.260 0.01 . 4 . . . . . . . . . 6221 1 715 . 1 1 73 73 ARG HG2 H 1 0.803 0.01 . 4 . . . . . . . . . 6221 1 716 . 1 1 73 73 ARG HG3 H 1 1.116 0.01 . 4 . . . . . . . . . 6221 1 717 . 1 1 73 73 ARG HD2 H 1 2.902 0.01 . 2 . . . . . . . . . 6221 1 718 . 1 1 73 73 ARG HD3 H 1 2.939 0.01 . 2 . . . . . . . . . 6221 1 719 . 1 1 73 73 ARG NE N 15 84.478 0.1 . 1 . . . . . . . . . 6221 1 720 . 1 1 73 73 ARG HE H 1 9.188 0.01 . 1 . . . . . . . . . 6221 1 721 . 1 1 74 74 ALA H H 1 7.504 0.01 . 1 . . . . . . . . . 6221 1 722 . 1 1 74 74 ALA N N 15 121.230 0.1 . 1 . . . . . . . . . 6221 1 723 . 1 1 74 74 ALA CA C 13 54.570 0.1 . 1 . . . . . . . . . 6221 1 724 . 1 1 74 74 ALA HA H 1 3.960 0.01 . 1 . . . . . . . . . 6221 1 725 . 1 1 74 74 ALA C C 13 177.910 0.1 . 1 . . . . . . . . . 6221 1 726 . 1 1 74 74 ALA CB C 13 21.200 0.1 . 1 . . . . . . . . . 6221 1 727 . 1 1 74 74 ALA HB1 H 1 0.826 0.01 . 1 . . . . . . . . . 6221 1 728 . 1 1 74 74 ALA HB2 H 1 0.826 0.01 . 1 . . . . . . . . . 6221 1 729 . 1 1 74 74 ALA HB3 H 1 0.826 0.01 . 1 . . . . . . . . . 6221 1 730 . 1 1 75 75 ASP H H 1 8.706 0.01 . 1 . . . . . . . . . 6221 1 731 . 1 1 75 75 ASP N N 15 105.510 0.1 . 1 . . . . . . . . . 6221 1 732 . 1 1 75 75 ASP CA C 13 55.760 0.1 . 1 . . . . . . . . . 6221 1 733 . 1 1 75 75 ASP HA H 1 4.358 0.01 . 1 . . . . . . . . . 6221 1 734 . 1 1 75 75 ASP C C 13 176.080 0.1 . 1 . . . . . . . . . 6221 1 735 . 1 1 75 75 ASP CB C 13 38.750 0.1 . 1 . . . . . . . . . 6221 1 736 . 1 1 75 75 ASP HB2 H 1 2.525 0.01 . 2 . . . . . . . . . 6221 1 737 . 1 1 75 75 ASP HB3 H 1 2.625 0.01 . 2 . . . . . . . . . 6221 1 738 . 1 1 76 76 LEU H H 1 6.709 0.01 . 1 . . . . . . . . . 6221 1 739 . 1 1 76 76 LEU N N 15 115.890 0.1 . 1 . . . . . . . . . 6221 1 740 . 1 1 76 76 LEU CA C 13 53.940 0.1 . 1 . . . . . . . . . 6221 1 741 . 1 1 76 76 LEU HA H 1 4.357 0.01 . 1 . . . . . . . . . 6221 1 742 . 1 1 76 76 LEU C C 13 176.350 0.1 . 1 . . . . . . . . . 6221 1 743 . 1 1 76 76 LEU CB C 13 42.860 0.1 . 1 . . . . . . . . . 6221 1 744 . 1 1 76 76 LEU HB2 H 1 1.798 0.01 . 2 . . . . . . . . . 6221 1 745 . 1 1 76 76 LEU HB3 H 1 1.747 0.01 . 2 . . . . . . . . . 6221 1 746 . 1 1 76 76 LEU HD11 H 1 1.117 0.01 . 2 . . . . . . . . . 6221 1 747 . 1 1 76 76 LEU HD12 H 1 1.117 0.01 . 2 . . . . . . . . . 6221 1 748 . 1 1 76 76 LEU HD13 H 1 1.117 0.01 . 2 . . . . . . . . . 6221 1 749 . 1 1 76 76 LEU HD21 H 1 0.806 0.01 . 2 . . . . . . . . . 6221 1 750 . 1 1 76 76 LEU HD22 H 1 0.806 0.01 . 2 . . . . . . . . . 6221 1 751 . 1 1 76 76 LEU HD23 H 1 0.806 0.01 . 2 . . . . . . . . . 6221 1 752 . 1 1 76 76 LEU HG H 1 1.386 0.01 . 1 . . . . . . . . . 6221 1 753 . 1 1 77 77 ALA H H 1 7.302 0.01 . 1 . . . . . . . . . 6221 1 754 . 1 1 77 77 ALA N N 15 123.720 0.1 . 1 . . . . . . . . . 6221 1 755 . 1 1 77 77 ALA CA C 13 49.930 0.1 . 1 . . . . . . . . . 6221 1 756 . 1 1 77 77 ALA HA H 1 4.826 0.01 . 1 . . . . . . . . . 6221 1 757 . 1 1 77 77 ALA C C 13 178.500 0.1 . 1 . . . . . . . . . 6221 1 758 . 1 1 77 77 ALA CB C 13 21.500 0.1 . 1 . . . . . . . . . 6221 1 759 . 1 1 77 77 ALA HB1 H 1 1.808 0.01 . 1 . . . . . . . . . 6221 1 760 . 1 1 77 77 ALA HB2 H 1 1.808 0.01 . 1 . . . . . . . . . 6221 1 761 . 1 1 77 77 ALA HB3 H 1 1.808 0.01 . 1 . . . . . . . . . 6221 1 762 . 1 1 78 78 THR H H 1 8.779 0.01 . 1 . . . . . . . . . 6221 1 763 . 1 1 78 78 THR N N 15 113.090 0.1 . 1 . . . . . . . . . 6221 1 764 . 1 1 78 78 THR CA C 13 61.500 0.1 . 1 . . . . . . . . . 6221 1 765 . 1 1 78 78 THR HA H 1 4.214 0.01 . 1 . . . . . . . . . 6221 1 766 . 1 1 78 78 THR C C 13 175.830 0.1 . 1 . . . . . . . . . 6221 1 767 . 1 1 78 78 THR CB C 13 70.920 0.1 . 1 . . . . . . . . . 6221 1 768 . 1 1 78 78 THR HB H 1 4.609 0.01 . 1 . . . . . . . . . 6221 1 769 . 1 1 78 78 THR HG21 H 1 1.317 0.01 . 1 . . . . . . . . . 6221 1 770 . 1 1 78 78 THR HG22 H 1 1.317 0.01 . 1 . . . . . . . . . 6221 1 771 . 1 1 78 78 THR HG23 H 1 1.317 0.01 . 1 . . . . . . . . . 6221 1 772 . 1 1 79 79 ARG H H 1 8.908 0.01 . 1 . . . . . . . . . 6221 1 773 . 1 1 79 79 ARG N N 15 121.450 0.1 . 1 . . . . . . . . . 6221 1 774 . 1 1 79 79 ARG CA C 13 59.210 0.1 . 1 . . . . . . . . . 6221 1 775 . 1 1 79 79 ARG HA H 1 3.255 0.01 . 1 . . . . . . . . . 6221 1 776 . 1 1 79 79 ARG C C 13 176.810 0.1 . 1 . . . . . . . . . 6221 1 777 . 1 1 79 79 ARG CB C 13 29.240 0.1 . 1 . . . . . . . . . 6221 1 778 . 1 1 79 79 ARG HB2 H 1 0.565 0.01 . 4 . . . . . . . . . 6221 1 779 . 1 1 79 79 ARG HB3 H 1 0.303 0.01 . 4 . . . . . . . . . 6221 1 780 . 1 1 79 79 ARG HG2 H 1 1.266 0.01 . 4 . . . . . . . . . 6221 1 781 . 1 1 79 79 ARG HG3 H 1 0.960 0.01 . 4 . . . . . . . . . 6221 1 782 . 1 1 79 79 ARG HD2 H 1 2.637 0.01 . 2 . . . . . . . . . 6221 1 783 . 1 1 79 79 ARG HD3 H 1 2.259 0.01 . 2 . . . . . . . . . 6221 1 784 . 1 1 79 79 ARG NE N 15 85.475 0.1 . 1 . . . . . . . . . 6221 1 785 . 1 1 79 79 ARG HE H 1 8.355 0.01 . 1 . . . . . . . . . 6221 1 786 . 1 1 80 80 GLU H H 1 8.171 0.01 . 1 . . . . . . . . . 6221 1 787 . 1 1 80 80 GLU N N 15 113.960 0.1 . 1 . . . . . . . . . 6221 1 788 . 1 1 80 80 GLU CA C 13 61.020 0.1 . 1 . . . . . . . . . 6221 1 789 . 1 1 80 80 GLU HA H 1 3.464 0.01 . 1 . . . . . . . . . 6221 1 790 . 1 1 80 80 GLU C C 13 179.870 0.1 . 1 . . . . . . . . . 6221 1 791 . 1 1 80 80 GLU CB C 13 28.520 0.1 . 1 . . . . . . . . . 6221 1 792 . 1 1 80 80 GLU HB2 H 1 1.937 0.01 . 2 . . . . . . . . . 6221 1 793 . 1 1 80 80 GLU HB3 H 1 1.745 0.01 . 2 . . . . . . . . . 6221 1 794 . 1 1 80 80 GLU HG2 H 1 2.425 0.01 . 2 . . . . . . . . . 6221 1 795 . 1 1 80 80 GLU HG3 H 1 2.397 0.01 . 2 . . . . . . . . . 6221 1 796 . 1 1 81 81 GLU H H 1 7.560 0.01 . 1 . . . . . . . . . 6221 1 797 . 1 1 81 81 GLU N N 15 121.160 0.1 . 1 . . . . . . . . . 6221 1 798 . 1 1 81 81 GLU CA C 13 58.680 0.1 . 1 . . . . . . . . . 6221 1 799 . 1 1 81 81 GLU HA H 1 3.281 0.01 . 1 . . . . . . . . . 6221 1 800 . 1 1 81 81 GLU C C 13 178.070 0.1 . 1 . . . . . . . . . 6221 1 801 . 1 1 81 81 GLU CB C 13 29.990 0.1 . 1 . . . . . . . . . 6221 1 802 . 1 1 81 81 GLU HB2 H 1 1.931 0.01 . 2 . . . . . . . . . 6221 1 803 . 1 1 81 81 GLU HB3 H 1 1.801 0.01 . 2 . . . . . . . . . 6221 1 804 . 1 1 81 81 GLU HG2 H 1 2.386 0.01 . 2 . . . . . . . . . 6221 1 805 . 1 1 81 81 GLU HG3 H 1 2.127 0.01 . 2 . . . . . . . . . 6221 1 806 . 1 1 82 82 GLN H H 1 8.628 0.01 . 1 . . . . . . . . . 6221 1 807 . 1 1 82 82 GLN N N 15 117.682 0.1 . 1 . . . . . . . . . 6221 1 808 . 1 1 82 82 GLN CA C 13 61.110 0.1 . 1 . . . . . . . . . 6221 1 809 . 1 1 82 82 GLN HA H 1 4.308 0.01 . 1 . . . . . . . . . 6221 1 810 . 1 1 82 82 GLN C C 13 179.650 0.1 . 1 . . . . . . . . . 6221 1 811 . 1 1 82 82 GLN CB C 13 30.100 0.1 . 1 . . . . . . . . . 6221 1 812 . 1 1 82 82 GLN HB2 H 1 1.931 0.01 . 2 . . . . . . . . . 6221 1 813 . 1 1 82 82 GLN HB3 H 1 2.292 0.01 . 2 . . . . . . . . . 6221 1 814 . 1 1 82 82 GLN HG2 H 1 2.749 0.01 . 2 . . . . . . . . . 6221 1 815 . 1 1 82 82 GLN HG3 H 1 2.515 0.01 . 2 . . . . . . . . . 6221 1 816 . 1 1 82 82 GLN NE2 N 15 116.030 0.1 . 1 . . . . . . . . . 6221 1 817 . 1 1 82 82 GLN HE21 H 1 8.255 0.01 . 2 . . . . . . . . . 6221 1 818 . 1 1 82 82 GLN HE22 H 1 6.985 0.01 . 2 . . . . . . . . . 6221 1 819 . 1 1 83 83 ILE H H 1 8.375 0.01 . 1 . . . . . . . . . 6221 1 820 . 1 1 83 83 ILE N N 15 118.524 0.1 . 1 . . . . . . . . . 6221 1 821 . 1 1 83 83 ILE CA C 13 65.750 0.1 . 1 . . . . . . . . . 6221 1 822 . 1 1 83 83 ILE HA H 1 2.910 0.01 . 1 . . . . . . . . . 6221 1 823 . 1 1 83 83 ILE C C 13 177.030 0.1 . 1 . . . . . . . . . 6221 1 824 . 1 1 83 83 ILE CB C 13 37.730 0.1 . 1 . . . . . . . . . 6221 1 825 . 1 1 83 83 ILE HB H 1 1.588 0.01 . 4 . . . . . . . . . 6221 1 826 . 1 1 83 83 ILE HG21 H 1 0.418 0.01 . 4 . . . . . . . . . 6221 1 827 . 1 1 83 83 ILE HG22 H 1 0.418 0.01 . 4 . . . . . . . . . 6221 1 828 . 1 1 83 83 ILE HG23 H 1 0.418 0.01 . 4 . . . . . . . . . 6221 1 829 . 1 1 83 83 ILE HG12 H 1 1.403 0.01 . 4 . . . . . . . . . 6221 1 830 . 1 1 83 83 ILE HG13 H 1 0.562 0.01 . 4 . . . . . . . . . 6221 1 831 . 1 1 83 83 ILE HD11 H 1 0.314 0.01 . 4 . . . . . . . . . 6221 1 832 . 1 1 83 83 ILE HD12 H 1 0.314 0.01 . 4 . . . . . . . . . 6221 1 833 . 1 1 83 83 ILE HD13 H 1 0.314 0.01 . 4 . . . . . . . . . 6221 1 834 . 1 1 84 84 ALA H H 1 7.562 0.01 . 1 . . . . . . . . . 6221 1 835 . 1 1 84 84 ALA N N 15 122.060 0.1 . 1 . . . . . . . . . 6221 1 836 . 1 1 84 84 ALA CA C 13 55.630 0.1 . 1 . . . . . . . . . 6221 1 837 . 1 1 84 84 ALA HA H 1 3.950 0.01 . 1 . . . . . . . . . 6221 1 838 . 1 1 84 84 ALA C C 13 181.950 0.1 . 1 . . . . . . . . . 6221 1 839 . 1 1 84 84 ALA CB C 13 17.160 0.1 . 1 . . . . . . . . . 6221 1 840 . 1 1 84 84 ALA HB1 H 1 1.469 0.01 . 1 . . . . . . . . . 6221 1 841 . 1 1 84 84 ALA HB2 H 1 1.469 0.01 . 1 . . . . . . . . . 6221 1 842 . 1 1 84 84 ALA HB3 H 1 1.469 0.01 . 1 . . . . . . . . . 6221 1 843 . 1 1 85 85 VAL H H 1 7.701 0.01 . 1 . . . . . . . . . 6221 1 844 . 1 1 85 85 VAL N N 15 118.020 0.1 . 1 . . . . . . . . . 6221 1 845 . 1 1 85 85 VAL CA C 13 65.710 0.1 . 1 . . . . . . . . . 6221 1 846 . 1 1 85 85 VAL HA H 1 3.643 0.01 . 1 . . . . . . . . . 6221 1 847 . 1 1 85 85 VAL C C 13 180.190 0.1 . 1 . . . . . . . . . 6221 1 848 . 1 1 85 85 VAL CB C 13 31.510 0.1 . 1 . . . . . . . . . 6221 1 849 . 1 1 85 85 VAL HB H 1 2.069 0.01 . 1 . . . . . . . . . 6221 1 850 . 1 1 85 85 VAL HG11 H 1 0.425 0.01 . 1 . . . . . . . . . 6221 1 851 . 1 1 85 85 VAL HG12 H 1 0.425 0.01 . 1 . . . . . . . . . 6221 1 852 . 1 1 85 85 VAL HG13 H 1 0.425 0.01 . 1 . . . . . . . . . 6221 1 853 . 1 1 85 85 VAL HG21 H 1 0.525 0.01 . 1 . . . . . . . . . 6221 1 854 . 1 1 85 85 VAL HG22 H 1 0.525 0.01 . 1 . . . . . . . . . 6221 1 855 . 1 1 85 85 VAL HG23 H 1 0.525 0.01 . 1 . . . . . . . . . 6221 1 856 . 1 1 86 86 ALA H H 1 9.189 0.01 . 1 . . . . . . . . . 6221 1 857 . 1 1 86 86 ALA N N 15 129.610 0.1 . 1 . . . . . . . . . 6221 1 858 . 1 1 86 86 ALA CA C 13 56.370 0.1 . 1 . . . . . . . . . 6221 1 859 . 1 1 86 86 ALA HA H 1 4.280 0.01 . 1 . . . . . . . . . 6221 1 860 . 1 1 86 86 ALA C C 13 179.440 0.1 . 1 . . . . . . . . . 6221 1 861 . 1 1 86 86 ALA CB C 13 16.450 0.1 . 1 . . . . . . . . . 6221 1 862 . 1 1 86 86 ALA HB1 H 1 0.762 0.01 . 1 . . . . . . . . . 6221 1 863 . 1 1 86 86 ALA HB2 H 1 0.762 0.01 . 1 . . . . . . . . . 6221 1 864 . 1 1 86 86 ALA HB3 H 1 0.762 0.01 . 1 . . . . . . . . . 6221 1 865 . 1 1 87 87 GLU H H 1 8.807 0.01 . 1 . . . . . . . . . 6221 1 866 . 1 1 87 87 GLU N N 15 118.610 0.1 . 1 . . . . . . . . . 6221 1 867 . 1 1 87 87 GLU CA C 13 59.230 0.1 . 1 . . . . . . . . . 6221 1 868 . 1 1 87 87 GLU HA H 1 4.457 0.01 . 1 . . . . . . . . . 6221 1 869 . 1 1 87 87 GLU C C 13 180.030 0.1 . 1 . . . . . . . . . 6221 1 870 . 1 1 87 87 GLU CB C 13 29.370 0.1 . 1 . . . . . . . . . 6221 1 871 . 1 1 87 87 GLU HB2 H 1 2.206 0.01 . 2 . . . . . . . . . 6221 1 872 . 1 1 87 87 GLU HB3 H 1 2.147 0.01 . 2 . . . . . . . . . 6221 1 873 . 1 1 87 87 GLU HG2 H 1 2.484 0.01 . 2 . . . . . . . . . 6221 1 874 . 1 1 87 87 GLU HG3 H 1 2.440 0.01 . 2 . . . . . . . . . 6221 1 875 . 1 1 88 88 VAL H H 1 7.360 0.01 . 1 . . . . . . . . . 6221 1 876 . 1 1 88 88 VAL N N 15 119.760 0.1 . 1 . . . . . . . . . 6221 1 877 . 1 1 88 88 VAL CA C 13 66.990 0.1 . 1 . . . . . . . . . 6221 1 878 . 1 1 88 88 VAL HA H 1 3.669 0.01 . 1 . . . . . . . . . 6221 1 879 . 1 1 88 88 VAL C C 13 179.100 0.1 . 1 . . . . . . . . . 6221 1 880 . 1 1 88 88 VAL CB C 13 31.860 0.1 . 1 . . . . . . . . . 6221 1 881 . 1 1 88 88 VAL HB H 1 2.399 0.01 . 1 . . . . . . . . . 6221 1 882 . 1 1 88 88 VAL HG11 H 1 1.184 0.01 . 2 . . . . . . . . . 6221 1 883 . 1 1 88 88 VAL HG12 H 1 1.184 0.01 . 2 . . . . . . . . . 6221 1 884 . 1 1 88 88 VAL HG13 H 1 1.184 0.01 . 2 . . . . . . . . . 6221 1 885 . 1 1 88 88 VAL HG21 H 1 1.025 0.01 . 2 . . . . . . . . . 6221 1 886 . 1 1 88 88 VAL HG22 H 1 1.025 0.01 . 2 . . . . . . . . . 6221 1 887 . 1 1 88 88 VAL HG23 H 1 1.025 0.01 . 2 . . . . . . . . . 6221 1 888 . 1 1 89 89 THR H H 1 8.389 0.01 . 1 . . . . . . . . . 6221 1 889 . 1 1 89 89 THR N N 15 117.392 0.1 . 1 . . . . . . . . . 6221 1 890 . 1 1 89 89 THR CA C 13 67.190 0.1 . 1 . . . . . . . . . 6221 1 891 . 1 1 89 89 THR HA H 1 3.876 0.01 . 1 . . . . . . . . . 6221 1 892 . 1 1 89 89 THR C C 13 177.100 0.1 . 1 . . . . . . . . . 6221 1 893 . 1 1 89 89 THR CB C 13 68.140 0.1 . 1 . . . . . . . . . 6221 1 894 . 1 1 89 89 THR HB H 1 4.836 0.01 . 1 . . . . . . . . . 6221 1 895 . 1 1 89 89 THR HG21 H 1 1.111 0.01 . 1 . . . . . . . . . 6221 1 896 . 1 1 89 89 THR HG22 H 1 1.111 0.01 . 1 . . . . . . . . . 6221 1 897 . 1 1 89 89 THR HG23 H 1 1.111 0.01 . 1 . . . . . . . . . 6221 1 898 . 1 1 90 90 ARG H H 1 9.180 0.01 . 1 . . . . . . . . . 6221 1 899 . 1 1 90 90 ARG N N 15 123.060 0.1 . 1 . . . . . . . . . 6221 1 900 . 1 1 90 90 ARG CA C 13 58.610 0.1 . 1 . . . . . . . . . 6221 1 901 . 1 1 90 90 ARG HA H 1 4.242 0.01 . 1 . . . . . . . . . 6221 1 902 . 1 1 90 90 ARG C C 13 180.430 0.1 . 1 . . . . . . . . . 6221 1 903 . 1 1 90 90 ARG CB C 13 29.740 0.1 . 1 . . . . . . . . . 6221 1 904 . 1 1 90 90 ARG HB2 H 1 2.047 0.01 . 4 . . . . . . . . . 6221 1 905 . 1 1 90 90 ARG HB3 H 1 1.976 0.01 . 4 . . . . . . . . . 6221 1 906 . 1 1 90 90 ARG HG2 H 1 1.810 0.01 . 4 . . . . . . . . . 6221 1 907 . 1 1 90 90 ARG HG3 H 1 1.655 0.01 . 4 . . . . . . . . . 6221 1 908 . 1 1 90 90 ARG HD2 H 1 2.473 0.01 . 2 . . . . . . . . . 6221 1 909 . 1 1 90 90 ARG HD3 H 1 2.324 0.01 . 2 . . . . . . . . . 6221 1 910 . 1 1 90 90 ARG NE N 15 82.881 0.1 . 1 . . . . . . . . . 6221 1 911 . 1 1 90 90 ARG HE H 1 7.310 0.01 . 1 . . . . . . . . . 6221 1 912 . 1 1 91 91 LEU H H 1 8.165 0.01 . 1 . . . . . . . . . 6221 1 913 . 1 1 91 91 LEU N N 15 121.150 0.1 . 1 . . . . . . . . . 6221 1 914 . 1 1 91 91 LEU CA C 13 57.650 0.1 . 1 . . . . . . . . . 6221 1 915 . 1 1 91 91 LEU HA H 1 4.024 0.01 . 1 . . . . . . . . . 6221 1 916 . 1 1 91 91 LEU C C 13 179.200 0.1 . 1 . . . . . . . . . 6221 1 917 . 1 1 91 91 LEU CB C 13 41.750 0.1 . 1 . . . . . . . . . 6221 1 918 . 1 1 91 91 LEU HB2 H 1 2.010 0.01 . 2 . . . . . . . . . 6221 1 919 . 1 1 91 91 LEU HB3 H 1 1.966 0.01 . 2 . . . . . . . . . 6221 1 920 . 1 1 91 91 LEU HD11 H 1 0.940 0.01 . 2 . . . . . . . . . 6221 1 921 . 1 1 91 91 LEU HD12 H 1 0.940 0.01 . 2 . . . . . . . . . 6221 1 922 . 1 1 91 91 LEU HD13 H 1 0.940 0.01 . 2 . . . . . . . . . 6221 1 923 . 1 1 91 91 LEU HD21 H 1 0.910 0.01 . 2 . . . . . . . . . 6221 1 924 . 1 1 91 91 LEU HD22 H 1 0.910 0.01 . 2 . . . . . . . . . 6221 1 925 . 1 1 91 91 LEU HD23 H 1 0.910 0.01 . 2 . . . . . . . . . 6221 1 926 . 1 1 91 91 LEU HG H 1 1.643 0.01 . 1 . . . . . . . . . 6221 1 927 . 1 1 92 92 ARG H H 1 7.803 0.01 . 1 . . . . . . . . . 6221 1 928 . 1 1 92 92 ARG N N 15 116.750 0.1 . 1 . . . . . . . . . 6221 1 929 . 1 1 92 92 ARG CA C 13 58.540 0.1 . 1 . . . . . . . . . 6221 1 930 . 1 1 92 92 ARG HA H 1 4.280 0.01 . 1 . . . . . . . . . 6221 1 931 . 1 1 92 92 ARG C C 13 178.650 0.1 . 1 . . . . . . . . . 6221 1 932 . 1 1 92 92 ARG CB C 13 31.720 0.1 . 1 . . . . . . . . . 6221 1 933 . 1 1 92 92 ARG HB2 H 1 2.014 0.01 . 4 . . . . . . . . . 6221 1 934 . 1 1 92 92 ARG HB3 H 1 1.984 0.01 . 4 . . . . . . . . . 6221 1 935 . 1 1 92 92 ARG HG2 H 1 1.910 0.01 . 4 . . . . . . . . . 6221 1 936 . 1 1 92 92 ARG HG3 H 1 1.884 0.01 . 4 . . . . . . . . . 6221 1 937 . 1 1 92 92 ARG HD2 H 1 3.232 0.01 . 2 . . . . . . . . . 6221 1 938 . 1 1 92 92 ARG HD3 H 1 3.210 0.01 . 2 . . . . . . . . . 6221 1 939 . 1 1 92 92 ARG NE N 15 84.719 0.1 . 1 . . . . . . . . . 6221 1 940 . 1 1 92 92 ARG HE H 1 7.227 0.01 . 1 . . . . . . . . . 6221 1 941 . 1 1 93 93 GLN H H 1 8.830 0.01 . 1 . . . . . . . . . 6221 1 942 . 1 1 93 93 GLN N N 15 114.390 0.1 . 1 . . . . . . . . . 6221 1 943 . 1 1 93 93 GLN CA C 13 55.500 0.1 . 1 . . . . . . . . . 6221 1 944 . 1 1 93 93 GLN HA H 1 4.668 0.01 . 1 . . . . . . . . . 6221 1 945 . 1 1 93 93 GLN C C 13 177.140 0.1 . 1 . . . . . . . . . 6221 1 946 . 1 1 93 93 GLN CB C 13 30.950 0.1 . 1 . . . . . . . . . 6221 1 947 . 1 1 93 93 GLN HB2 H 1 2.195 0.01 . 2 . . . . . . . . . 6221 1 948 . 1 1 93 93 GLN HB3 H 1 1.656 0.01 . 2 . . . . . . . . . 6221 1 949 . 1 1 93 93 GLN HG2 H 1 2.447 0.01 . 2 . . . . . . . . . 6221 1 950 . 1 1 93 93 GLN HG3 H 1 2.417 0.01 . 2 . . . . . . . . . 6221 1 951 . 1 1 93 93 GLN NE2 N 15 110.832 0.1 . 1 . . . . . . . . . 6221 1 952 . 1 1 93 93 GLN HE21 H 1 7.308 0.01 . 2 . . . . . . . . . 6221 1 953 . 1 1 93 93 GLN HE22 H 1 7.021 0.01 . 2 . . . . . . . . . 6221 1 954 . 1 1 94 94 GLY H H 1 8.324 0.01 . 1 . . . . . . . . . 6221 1 955 . 1 1 94 94 GLY N N 15 111.603 0.1 . 1 . . . . . . . . . 6221 1 956 . 1 1 94 94 GLY CA C 13 45.120 0.1 . 1 . . . . . . . . . 6221 1 957 . 1 1 94 94 GLY HA2 H 1 4.291 0.01 . 2 . . . . . . . . . 6221 1 958 . 1 1 94 94 GLY HA3 H 1 3.817 0.01 . 2 . . . . . . . . . 6221 1 959 . 1 1 94 94 GLY C C 13 174.730 0.1 . 1 . . . . . . . . . 6221 1 960 . 1 1 95 95 TRP H H 1 8.623 0.01 . 1 . . . . . . . . . 6221 1 961 . 1 1 95 95 TRP N N 15 119.200 0.1 . 1 . . . . . . . . . 6221 1 962 . 1 1 95 95 TRP CA C 13 57.530 0.1 . 1 . . . . . . . . . 6221 1 963 . 1 1 95 95 TRP HA H 1 5.005 0.01 . 1 . . . . . . . . . 6221 1 964 . 1 1 95 95 TRP C C 13 178.390 0.1 . 1 . . . . . . . . . 6221 1 965 . 1 1 95 95 TRP CB C 13 29.940 0.1 . 1 . . . . . . . . . 6221 1 966 . 1 1 95 95 TRP HB2 H 1 3.546 0.01 . 2 . . . . . . . . . 6221 1 967 . 1 1 95 95 TRP HB3 H 1 2.951 0.01 . 2 . . . . . . . . . 6221 1 968 . 1 1 95 95 TRP HD1 H 1 7.182 0.01 . 1 . . . . . . . . . 6221 1 969 . 1 1 95 95 TRP NE1 N 15 127.660 0.1 . 1 . . . . . . . . . 6221 1 970 . 1 1 95 95 TRP HE1 H 1 9.858 0.01 . 1 . . . . . . . . . 6221 1 971 . 1 1 95 95 TRP HE3 H 1 7.656 0.01 . 1 . . . . . . . . . 6221 1 972 . 1 1 95 95 TRP HZ2 H 1 7.250 0.01 . 1 . . . . . . . . . 6221 1 973 . 1 1 95 95 TRP HZ3 H 1 6.055 0.01 . 1 . . . . . . . . . 6221 1 974 . 1 1 95 95 TRP HH2 H 1 6.229 0.01 . 1 . . . . . . . . . 6221 1 975 . 1 1 96 96 GLY H H 1 8.439 0.01 . 1 . . . . . . . . . 6221 1 976 . 1 1 96 96 GLY N N 15 107.127 0.1 . 1 . . . . . . . . . 6221 1 977 . 1 1 96 96 GLY CA C 13 46.860 0.1 . 1 . . . . . . . . . 6221 1 978 . 1 1 96 96 GLY HA2 H 1 3.817 0.01 . 2 . . . . . . . . . 6221 1 979 . 1 1 96 96 GLY HA3 H 1 3.895 0.01 . 2 . . . . . . . . . 6221 1 980 . 1 1 96 96 GLY C C 13 174.510 0.1 . 1 . . . . . . . . . 6221 1 981 . 1 1 97 97 ALA H H 1 7.628 0.01 . 1 . . . . . . . . . 6221 1 982 . 1 1 97 97 ALA N N 15 120.710 0.1 . 1 . . . . . . . . . 6221 1 983 . 1 1 97 97 ALA CA C 13 52.800 0.1 . 1 . . . . . . . . . 6221 1 984 . 1 1 97 97 ALA HA H 1 3.921 0.01 . 1 . . . . . . . . . 6221 1 985 . 1 1 97 97 ALA C C 13 177.240 0.1 . 1 . . . . . . . . . 6221 1 986 . 1 1 97 97 ALA CB C 13 16.380 0.1 . 1 . . . . . . . . . 6221 1 987 . 1 1 97 97 ALA HB1 H 1 0.170 0.01 . 1 . . . . . . . . . 6221 1 988 . 1 1 97 97 ALA HB2 H 1 0.170 0.01 . 1 . . . . . . . . . 6221 1 989 . 1 1 97 97 ALA HB3 H 1 0.170 0.01 . 1 . . . . . . . . . 6221 1 990 . 1 1 98 98 TRP H H 1 7.879 0.01 . 1 . . . . . . . . . 6221 1 991 . 1 1 98 98 TRP N N 15 116.980 0.1 . 1 . . . . . . . . . 6221 1 992 . 1 1 98 98 TRP CA C 13 56.330 0.1 . 1 . . . . . . . . . 6221 1 993 . 1 1 98 98 TRP HA H 1 4.991 0.01 . 1 . . . . . . . . . 6221 1 994 . 1 1 98 98 TRP CB C 13 28.360 0.1 . 1 . . . . . . . . . 6221 1 995 . 1 1 98 98 TRP HB2 H 1 3.136 0.01 . 2 . . . . . . . . . 6221 1 996 . 1 1 98 98 TRP HB3 H 1 3.413 0.01 . 2 . . . . . . . . . 6221 1 997 . 1 1 98 98 TRP HD1 H 1 7.106 0.01 . 1 . . . . . . . . . 6221 1 998 . 1 1 98 98 TRP NE1 N 15 129.940 0.1 . 1 . . . . . . . . . 6221 1 999 . 1 1 98 98 TRP HE1 H 1 9.902 0.01 . 1 . . . . . . . . . 6221 1 1000 . 1 1 98 98 TRP HE3 H 1 7.920 0.01 . 1 . . . . . . . . . 6221 1 1001 . 1 1 98 98 TRP HZ2 H 1 6.933 0.01 . 1 . . . . . . . . . 6221 1 1002 . 1 1 98 98 TRP HZ3 H 1 7.061 0.01 . 1 . . . . . . . . . 6221 1 1003 . 1 1 98 98 TRP HH2 H 1 7.279 0.01 . 1 . . . . . . . . . 6221 1 1004 . 1 1 99 99 PRO HA H 1 4.361 0.01 . 1 . . . . . . . . . 6221 1 1005 . 1 1 99 99 PRO C C 13 179.430 0.1 . 1 . . . . . . . . . 6221 1 1006 . 1 1 99 99 PRO HB2 H 1 2.330 0.01 . 2 . . . . . . . . . 6221 1 1007 . 1 1 99 99 PRO HB3 H 1 2.000 0.01 . 2 . . . . . . . . . 6221 1 1008 . 1 1 99 99 PRO HG2 H 1 2.030 0.01 . 2 . . . . . . . . . 6221 1 1009 . 1 1 99 99 PRO HG3 H 1 2.050 0.01 . 2 . . . . . . . . . 6221 1 1010 . 1 1 99 99 PRO HD2 H 1 3.580 0.01 . 2 . . . . . . . . . 6221 1 1011 . 1 1 99 99 PRO HD3 H 1 3.532 0.01 . 2 . . . . . . . . . 6221 1 1012 . 1 1 100 100 VAL H H 1 7.992 0.01 . 1 . . . . . . . . . 6221 1 1013 . 1 1 100 100 VAL N N 15 118.200 0.1 . 1 . . . . . . . . . 6221 1 1014 . 1 1 100 100 VAL CA C 13 65.120 0.1 . 1 . . . . . . . . . 6221 1 1015 . 1 1 100 100 VAL HA H 1 3.867 0.01 . 1 . . . . . . . . . 6221 1 1016 . 1 1 100 100 VAL C C 13 179.290 0.1 . 1 . . . . . . . . . 6221 1 1017 . 1 1 100 100 VAL HB H 1 2.151 0.01 . 1 . . . . . . . . . 6221 1 1018 . 1 1 100 100 VAL HG11 H 1 0.822 0.01 . 2 . . . . . . . . . 6221 1 1019 . 1 1 100 100 VAL HG12 H 1 0.822 0.01 . 2 . . . . . . . . . 6221 1 1020 . 1 1 100 100 VAL HG13 H 1 0.822 0.01 . 2 . . . . . . . . . 6221 1 1021 . 1 1 100 100 VAL HG21 H 1 0.962 0.01 . 2 . . . . . . . . . 6221 1 1022 . 1 1 100 100 VAL HG22 H 1 0.962 0.01 . 2 . . . . . . . . . 6221 1 1023 . 1 1 100 100 VAL HG23 H 1 0.962 0.01 . 2 . . . . . . . . . 6221 1 1024 . 1 1 101 101 CYS H H 1 8.718 0.01 . 1 . . . . . . . . . 6221 1 1025 . 1 1 101 101 CYS N N 15 117.830 0.1 . 1 . . . . . . . . . 6221 1 1026 . 1 1 101 101 CYS CA C 13 55.430 0.1 . 1 . . . . . . . . . 6221 1 1027 . 1 1 101 101 CYS HA H 1 4.550 0.01 . 1 . . . . . . . . . 6221 1 1028 . 1 1 101 101 CYS C C 13 177.030 0.1 . 1 . . . . . . . . . 6221 1 1029 . 1 1 101 101 CYS CB C 13 38.160 0.1 . 1 . . . . . . . . . 6221 1 1030 . 1 1 101 101 CYS HB2 H 1 3.135 0.01 . 2 . . . . . . . . . 6221 1 1031 . 1 1 101 101 CYS HB3 H 1 3.017 0.01 . 2 . . . . . . . . . 6221 1 1032 . 1 1 102 102 ALA H H 1 8.757 0.01 . 1 . . . . . . . . . 6221 1 1033 . 1 1 102 102 ALA N N 15 122.330 0.1 . 1 . . . . . . . . . 6221 1 1034 . 1 1 102 102 ALA CA C 13 55.540 0.1 . 1 . . . . . . . . . 6221 1 1035 . 1 1 102 102 ALA HA H 1 3.806 0.01 . 1 . . . . . . . . . 6221 1 1036 . 1 1 102 102 ALA C C 13 178.960 0.1 . 1 . . . . . . . . . 6221 1 1037 . 1 1 102 102 ALA CB C 13 18.340 0.1 . 1 . . . . . . . . . 6221 1 1038 . 1 1 102 102 ALA HB1 H 1 1.466 0.01 . 1 . . . . . . . . . 6221 1 1039 . 1 1 102 102 ALA HB2 H 1 1.466 0.01 . 1 . . . . . . . . . 6221 1 1040 . 1 1 102 102 ALA HB3 H 1 1.466 0.01 . 1 . . . . . . . . . 6221 1 1041 . 1 1 103 103 ALA H H 1 7.606 0.01 . 1 . . . . . . . . . 6221 1 1042 . 1 1 103 103 ALA N N 15 119.750 0.1 . 1 . . . . . . . . . 6221 1 1043 . 1 1 103 103 ALA CA C 13 54.310 0.1 . 1 . . . . . . . . . 6221 1 1044 . 1 1 103 103 ALA HA H 1 4.076 0.01 . 1 . . . . . . . . . 6221 1 1045 . 1 1 103 103 ALA C C 13 181.690 0.1 . 1 . . . . . . . . . 6221 1 1046 . 1 1 103 103 ALA CB C 13 18.090 0.1 . 1 . . . . . . . . . 6221 1 1047 . 1 1 103 103 ALA HB1 H 1 1.418 0.01 . 1 . . . . . . . . . 6221 1 1048 . 1 1 103 103 ALA HB2 H 1 1.418 0.01 . 1 . . . . . . . . . 6221 1 1049 . 1 1 103 103 ALA HB3 H 1 1.418 0.01 . 1 . . . . . . . . . 6221 1 1050 . 1 1 104 104 ARG H H 1 7.835 0.01 . 1 . . . . . . . . . 6221 1 1051 . 1 1 104 104 ARG N N 15 118.260 0.1 . 1 . . . . . . . . . 6221 1 1052 . 1 1 104 104 ARG CA C 13 58.060 0.1 . 1 . . . . . . . . . 6221 1 1053 . 1 1 104 104 ARG HA H 1 4.013 0.01 . 1 . . . . . . . . . 6221 1 1054 . 1 1 104 104 ARG C C 13 177.730 0.1 . 1 . . . . . . . . . 6221 1 1055 . 1 1 104 104 ARG CB C 13 30.090 0.1 . 1 . . . . . . . . . 6221 1 1056 . 1 1 104 104 ARG HB2 H 1 1.866 0.01 . 4 . . . . . . . . . 6221 1 1057 . 1 1 104 104 ARG HB3 H 1 1.836 0.01 . 4 . . . . . . . . . 6221 1 1058 . 1 1 104 104 ARG HG2 H 1 1.743 0.01 . 4 . . . . . . . . . 6221 1 1059 . 1 1 104 104 ARG HG3 H 1 1.666 0.01 . 4 . . . . . . . . . 6221 1 1060 . 1 1 104 104 ARG HD2 H 1 3.117 0.01 . 2 . . . . . . . . . 6221 1 1061 . 1 1 104 104 ARG HD3 H 1 3.084 0.01 . 2 . . . . . . . . . 6221 1 1062 . 1 1 104 104 ARG NE N 15 83.809 0.1 . 1 . . . . . . . . . 6221 1 1063 . 1 1 104 104 ARG HE H 1 7.175 0.01 . 1 . . . . . . . . . 6221 1 1064 . 1 1 105 105 ALA H H 1 7.524 0.01 . 1 . . . . . . . . . 6221 1 1065 . 1 1 105 105 ALA N N 15 119.254 0.1 . 1 . . . . . . . . . 6221 1 1066 . 1 1 105 105 ALA CA C 13 52.260 0.1 . 1 . . . . . . . . . 6221 1 1067 . 1 1 105 105 ALA HA H 1 4.120 0.01 . 1 . . . . . . . . . 6221 1 1068 . 1 1 105 105 ALA C C 13 177.330 0.1 . 1 . . . . . . . . . 6221 1 1069 . 1 1 105 105 ALA CB C 13 19.970 0.1 . 1 . . . . . . . . . 6221 1 1070 . 1 1 105 105 ALA HB1 H 1 1.196 0.01 . 1 . . . . . . . . . 6221 1 1071 . 1 1 105 105 ALA HB2 H 1 1.196 0.01 . 1 . . . . . . . . . 6221 1 1072 . 1 1 105 105 ALA HB3 H 1 1.196 0.01 . 1 . . . . . . . . . 6221 1 1073 . 1 1 106 106 GLY H H 1 7.587 0.01 . 1 . . . . . . . . . 6221 1 1074 . 1 1 106 106 GLY N N 15 105.100 0.1 . 1 . . . . . . . . . 6221 1 1075 . 1 1 106 106 GLY CA C 13 45.150 0.1 . 1 . . . . . . . . . 6221 1 1076 . 1 1 106 106 GLY HA2 H 1 3.624 0.01 . 2 . . . . . . . . . 6221 1 1077 . 1 1 106 106 GLY HA3 H 1 3.924 0.01 . 2 . . . . . . . . . 6221 1 1078 . 1 1 106 106 GLY C C 13 174.420 0.1 . 1 . . . . . . . . . 6221 1 1079 . 1 1 107 107 ALA H H 1 7.562 0.01 . 1 . . . . . . . . . 6221 1 1080 . 1 1 107 107 ALA N N 15 122.980 0.1 . 1 . . . . . . . . . 6221 1 1081 . 1 1 107 107 ALA CA C 13 52.270 0.1 . 1 . . . . . . . . . 6221 1 1082 . 1 1 107 107 ALA HA H 1 3.790 0.01 . 1 . . . . . . . . . 6221 1 1083 . 1 1 107 107 ALA C C 13 176.310 0.1 . 1 . . . . . . . . . 6221 1 1084 . 1 1 107 107 ALA CB C 13 17.910 0.1 . 1 . . . . . . . . . 6221 1 1085 . 1 1 107 107 ALA HB1 H 1 0.088 0.01 . 1 . . . . . . . . . 6221 1 1086 . 1 1 107 107 ALA HB2 H 1 0.088 0.01 . 1 . . . . . . . . . 6221 1 1087 . 1 1 107 107 ALA HB3 H 1 0.088 0.01 . 1 . . . . . . . . . 6221 1 1088 . 1 1 108 108 ARG H H 1 7.530 0.01 . 1 . . . . . . . . . 6221 1 1089 . 1 1 108 108 ARG N N 15 124.260 0.1 . 1 . . . . . . . . . 6221 1 1090 . 1 1 108 108 ARG CA C 13 56.970 0.1 . 1 . . . . . . . . . 6221 1 1091 . 1 1 108 108 ARG HA H 1 4.109 0.01 . 1 . . . . . . . . . 6221 1 1092 . 1 1 108 108 ARG C C 13 181.190 0.1 . 1 . . . . . . . . . 6221 1 1093 . 1 1 108 108 ARG CB C 13 32.210 0.1 . 1 . . . . . . . . . 6221 1 1094 . 1 1 108 108 ARG HB2 H 1 1.754 0.01 . 4 . . . . . . . . . 6221 1 1095 . 1 1 108 108 ARG HB3 H 1 1.654 0.01 . 4 . . . . . . . . . 6221 1 1096 . 1 1 108 108 ARG HG2 H 1 1.480 0.01 . 4 . . . . . . . . . 6221 1 1097 . 1 1 108 108 ARG HG3 H 1 1.450 0.01 . 4 . . . . . . . . . 6221 1 1098 . 1 1 108 108 ARG HD2 H 1 3.140 0.01 . 2 . . . . . . . . . 6221 1 1099 . 1 1 108 108 ARG HD3 H 1 3.117 0.01 . 2 . . . . . . . . . 6221 1 1100 . 1 1 108 108 ARG NE N 15 84.748 0.1 . 1 . . . . . . . . . 6221 1 1101 . 1 1 108 108 ARG HE H 1 7.162 0.01 . 1 . . . . . . . . . 6221 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 138 6221 1 1 139 6221 1 1 140 6221 1 1 141 6221 1 2 181 6221 1 2 182 6221 1 2 183 6221 1 2 184 6221 1 3 272 6221 1 3 273 6221 1 3 274 6221 1 3 275 6221 1 4 713 6221 1 4 714 6221 1 4 715 6221 1 4 716 6221 1 5 778 6221 1 5 779 6221 1 5 780 6221 1 5 781 6221 1 6 825 6221 1 6 826 6221 1 6 827 6221 1 6 828 6221 1 6 829 6221 1 6 830 6221 1 6 831 6221 1 6 832 6221 1 6 833 6221 1 7 904 6221 1 7 905 6221 1 7 906 6221 1 7 907 6221 1 8 933 6221 1 8 934 6221 1 8 935 6221 1 8 936 6221 1 9 1056 6221 1 9 1057 6221 1 9 1058 6221 1 9 1059 6221 1 10 1094 6221 1 10 1095 6221 1 10 1096 6221 1 10 1097 6221 1 stop_ save_