data_6334 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6334 _Entry.Title ; 1H, 13C, 15N backbone and sidechain resonance assignment of Mip(77-213) the PPIase domain of the Legionella pneumophila Mip protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-10-01 _Entry.Accession_date 2004-10-01 _Entry.Last_release_date 2004-11-11 _Entry.Original_release_date 2004-11-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Martin Horstmann . . . 6334 2 Thilo Kamphausen . . . 6334 3 Kristian Schweimer . . . 6334 4 Michael Steinert . . . 6334 5 Jorg Hacker . . . 6334 6 Axel Hase . . . 6334 7 Paul Rosch . . . 6334 8 Gunter Fischer . . . 6334 9 Cornelius Faber . . . 6334 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6334 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 894 6334 '13C chemical shifts' 568 6334 '15N chemical shifts' 133 6334 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 . . 2004-11-11 2004-10-01 original author . 6334 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6334 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C, 15N backbone and sidechain resonance assignment of Mip(77-213) the PPIase domain of the Legionella pneumophila Mip protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 1 _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 77 _Citation.Page_last 78 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Martin Horstmann . . . 6334 1 2 Thilo Kamphausen . . . 6334 1 3 Kristian Schweimer . . . 6334 1 4 Michael Steinert . . . 6334 1 5 Jorg Hacker . . . 6334 1 6 Axel Haase . . . 6334 1 7 Paul Rosch . . . 6334 1 8 Gunter Schweimer . . . 6334 1 9 Cornelius Faber . . . 6334 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Mip _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Mip _Assembly.Entry_ID 6334 _Assembly.ID 1 _Assembly.Name 'Mip (77-213) monomer' _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 'not present' _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 6334 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 'Mip monomer' 1 $Mip_monomer . . . native . . . . . 6334 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Mip (77-213) monomer' system 6334 1 Mip abbreviation 6334 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Mip_monomer _Entity.Sf_category entity _Entity.Sf_framecode Mip_monomer _Entity.Entry_ID 6334 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'macrophage infectivity potentiator protein' _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 ; FNKKADENKVKGEAFLTENK NKPGVVVLPSGLQYKVINSG NGVKPGKSDTVTVEYTGRLI DGTVFDSTEKTGKPATFQVS QVIPGWTEALQLMPAGSTWE IYVPSGLAYGPRSVGGPIGP NETLIFKIHLISVKKSS ; _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 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14603 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15507 . Mip_protein . . . . . 100.00 137 100.00 100.00 7.62e-92 . . . . 6334 1 2 no BMRB 7021 . LpMip . . . . . 100.00 213 100.00 100.00 6.97e-93 . . . . 6334 1 3 no PDB 1FD9 . "Crystal Structure Of The Macrophage Infectivity Potentiator Protein (Mip) A Major Virulence Factor From Legionella Pneumophila" . . . . . 100.00 213 100.00 100.00 6.97e-93 . . . . 6334 1 4 no PDB 2UZ5 . "Solution Structure Of The Fkbp-Domain Of Legionella Pneumophila Mip" . . . . . 100.00 137 100.00 100.00 7.62e-92 . . . . 6334 1 5 no PDB 2VCD . "Solution Structure Of The Fkbp-domain Of Legionella Pneumophila Mip In Complex With Rapamycin" . . . . . 100.00 137 100.00 100.00 7.62e-92 . . . . 6334 1 6 no DBJ BAE48749 . "macrophage infectivity potentiator [Legionella pneumophila]" . . . . . 55.47 133 100.00 100.00 1.18e-44 . . . . 6334 1 7 no EMBL CAD42883 . "macrophage infectivity potentiator [Legionella pneumophila serogroup 1]" . . . . . 100.00 233 100.00 100.00 1.61e-93 . . . . 6334 1 8 no EMBL CAD42884 . "macrophage infectivity potentiator [Legionella pneumophila serogroup 6]" . . . . . 100.00 233 99.27 100.00 4.34e-93 . . . . 6334 1 9 no EMBL CAD42885 . "macrophage infectivity potentiator [Legionella pneumophila serogroup 8]" . . . . . 100.00 233 100.00 100.00 1.61e-93 . . . . 6334 1 10 no EMBL CAD42887 . "macrophage infectivity potentiator [Legionella pneumophila serogroup 1]" . . . . . 100.00 233 100.00 100.00 1.37e-93 . . . . 6334 1 11 no EMBL CAD42888 . "macrophage infectivity potentiator [Legionella pneumophila serogroup 6]" . . . . . 100.00 233 99.27 100.00 4.34e-93 . . . . 6334 1 12 no GB AAB03461 . "Mip [Legionella fairfieldensis]" . . . . . 86.86 210 99.16 99.16 5.63e-79 . . . . 6334 1 13 no GB AAB03462 . "Mip [Legionella worsleiensis]" . . . . . 86.86 210 98.32 99.16 1.17e-78 . . . . 6334 1 14 no GB AAB22717 . "macrophage infectivity potentiator [Legionella pneumophila]" . . . . . 100.00 233 100.00 100.00 1.61e-93 . . . . 6334 1 15 no GB AAB31083 . "peptidyl-prolyl cis/trans isomerase, partial [Legionella pneumophila]" . . . . . 100.00 233 99.27 100.00 4.34e-93 . . . . 6334 1 16 no GB AAB81364 . "macrophage infectivity potentiator protein, partial [Legionella pneumophila serogroup 2]" . . . . . 81.75 202 99.11 100.00 2.53e-74 . . . . 6334 1 17 no PRF 2014249A . "macrophage infectivity potentiator" . . . . . 100.00 233 100.00 100.00 1.61e-93 . . . . 6334 1 18 no REF WP_010946528 . "membrane protein [Legionella pneumophila]" . . . . . 100.00 235 100.00 100.00 2.21e-93 . . . . 6334 1 19 no REF WP_011213317 . "membrane protein [Legionella pneumophila]" . . . . . 100.00 233 100.00 100.00 1.61e-93 . . . . 6334 1 20 no REF WP_011214989 . "membrane protein [Legionella pneumophila]" . . . . . 100.00 233 99.27 100.00 4.34e-93 . . . . 6334 1 21 no REF WP_014326780 . "membrane protein [Legionella pneumophila]" . . . . . 100.00 235 99.27 100.00 4.85e-93 . . . . 6334 1 22 no REF WP_027221154 . "membrane protein [Legionella pneumophila]" . . . . . 100.00 233 98.54 100.00 9.42e-93 . . . . 6334 1 23 no SP A5IGB8 . "RecName: Full=Outer membrane protein MIP; AltName: Full=Macrophage infectivity potentiator; AltName: Full=Peptidyl-prolyl cis-t" . . . . . 100.00 233 99.27 100.00 4.34e-93 . . . . 6334 1 24 no SP Q5ZXE0 . "RecName: Full=Outer membrane protein MIP; AltName: Full=Macrophage infectivity potentiator; AltName: Full=Peptidyl-prolyl cis-t" . . . . . 100.00 233 100.00 100.00 1.61e-93 . . . . 6334 1 25 no SP Q70YI1 . "RecName: Full=Outer membrane protein MIP; AltName: Full=Macrophage infectivity potentiator; AltName: Full=Peptidyl-prolyl cis-t" . . . . . 100.00 233 99.27 100.00 4.34e-93 . . . . 6334 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'macrophage infectivity potentiator protein' common 6334 1 Mip abbreviation 6334 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 . PHE . 6334 1 2 . ASN . 6334 1 3 . LYS . 6334 1 4 . LYS . 6334 1 5 . ALA . 6334 1 6 . ASP . 6334 1 7 . GLU . 6334 1 8 . ASN . 6334 1 9 . LYS . 6334 1 10 . VAL . 6334 1 11 . LYS . 6334 1 12 . GLY . 6334 1 13 . GLU . 6334 1 14 . ALA . 6334 1 15 . PHE . 6334 1 16 . LEU . 6334 1 17 . THR . 6334 1 18 . GLU . 6334 1 19 . ASN . 6334 1 20 . LYS . 6334 1 21 . ASN . 6334 1 22 . LYS . 6334 1 23 . PRO . 6334 1 24 . GLY . 6334 1 25 . VAL . 6334 1 26 . VAL . 6334 1 27 . VAL . 6334 1 28 . LEU . 6334 1 29 . PRO . 6334 1 30 . SER . 6334 1 31 . GLY . 6334 1 32 . LEU . 6334 1 33 . GLN . 6334 1 34 . TYR . 6334 1 35 . LYS . 6334 1 36 . VAL . 6334 1 37 . ILE . 6334 1 38 . ASN . 6334 1 39 . SER . 6334 1 40 . GLY . 6334 1 41 . ASN . 6334 1 42 . GLY . 6334 1 43 . VAL . 6334 1 44 . LYS . 6334 1 45 . PRO . 6334 1 46 . GLY . 6334 1 47 . LYS . 6334 1 48 . SER . 6334 1 49 . ASP . 6334 1 50 . THR . 6334 1 51 . VAL . 6334 1 52 . THR . 6334 1 53 . VAL . 6334 1 54 . GLU . 6334 1 55 . TYR . 6334 1 56 . THR . 6334 1 57 . GLY . 6334 1 58 . ARG . 6334 1 59 . LEU . 6334 1 60 . ILE . 6334 1 61 . ASP . 6334 1 62 . GLY . 6334 1 63 . THR . 6334 1 64 . VAL . 6334 1 65 . PHE . 6334 1 66 . ASP . 6334 1 67 . SER . 6334 1 68 . THR . 6334 1 69 . GLU . 6334 1 70 . LYS . 6334 1 71 . THR . 6334 1 72 . GLY . 6334 1 73 . LYS . 6334 1 74 . PRO . 6334 1 75 . ALA . 6334 1 76 . THR . 6334 1 77 . PHE . 6334 1 78 . GLN . 6334 1 79 . VAL . 6334 1 80 . SER . 6334 1 81 . GLN . 6334 1 82 . VAL . 6334 1 83 . ILE . 6334 1 84 . PRO . 6334 1 85 . GLY . 6334 1 86 . TRP . 6334 1 87 . THR . 6334 1 88 . GLU . 6334 1 89 . ALA . 6334 1 90 . LEU . 6334 1 91 . GLN . 6334 1 92 . LEU . 6334 1 93 . MET . 6334 1 94 . PRO . 6334 1 95 . ALA . 6334 1 96 . GLY . 6334 1 97 . SER . 6334 1 98 . THR . 6334 1 99 . TRP . 6334 1 100 . GLU . 6334 1 101 . ILE . 6334 1 102 . TYR . 6334 1 103 . VAL . 6334 1 104 . PRO . 6334 1 105 . SER . 6334 1 106 . GLY . 6334 1 107 . LEU . 6334 1 108 . ALA . 6334 1 109 . TYR . 6334 1 110 . GLY . 6334 1 111 . PRO . 6334 1 112 . ARG . 6334 1 113 . SER . 6334 1 114 . VAL . 6334 1 115 . GLY . 6334 1 116 . GLY . 6334 1 117 . PRO . 6334 1 118 . ILE . 6334 1 119 . GLY . 6334 1 120 . PRO . 6334 1 121 . ASN . 6334 1 122 . GLU . 6334 1 123 . THR . 6334 1 124 . LEU . 6334 1 125 . ILE . 6334 1 126 . PHE . 6334 1 127 . LYS . 6334 1 128 . ILE . 6334 1 129 . HIS . 6334 1 130 . LEU . 6334 1 131 . ILE . 6334 1 132 . SER . 6334 1 133 . VAL . 6334 1 134 . LYS . 6334 1 135 . LYS . 6334 1 136 . SER . 6334 1 137 . SER . 6334 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 . PHE 1 1 6334 1 . ASN 2 2 6334 1 . LYS 3 3 6334 1 . LYS 4 4 6334 1 . ALA 5 5 6334 1 . ASP 6 6 6334 1 . GLU 7 7 6334 1 . ASN 8 8 6334 1 . LYS 9 9 6334 1 . VAL 10 10 6334 1 . LYS 11 11 6334 1 . GLY 12 12 6334 1 . GLU 13 13 6334 1 . ALA 14 14 6334 1 . PHE 15 15 6334 1 . LEU 16 16 6334 1 . THR 17 17 6334 1 . GLU 18 18 6334 1 . ASN 19 19 6334 1 . LYS 20 20 6334 1 . ASN 21 21 6334 1 . LYS 22 22 6334 1 . PRO 23 23 6334 1 . GLY 24 24 6334 1 . VAL 25 25 6334 1 . VAL 26 26 6334 1 . VAL 27 27 6334 1 . LEU 28 28 6334 1 . PRO 29 29 6334 1 . SER 30 30 6334 1 . GLY 31 31 6334 1 . LEU 32 32 6334 1 . GLN 33 33 6334 1 . TYR 34 34 6334 1 . LYS 35 35 6334 1 . VAL 36 36 6334 1 . ILE 37 37 6334 1 . ASN 38 38 6334 1 . SER 39 39 6334 1 . GLY 40 40 6334 1 . ASN 41 41 6334 1 . GLY 42 42 6334 1 . VAL 43 43 6334 1 . LYS 44 44 6334 1 . PRO 45 45 6334 1 . GLY 46 46 6334 1 . LYS 47 47 6334 1 . SER 48 48 6334 1 . ASP 49 49 6334 1 . THR 50 50 6334 1 . VAL 51 51 6334 1 . THR 52 52 6334 1 . VAL 53 53 6334 1 . GLU 54 54 6334 1 . TYR 55 55 6334 1 . THR 56 56 6334 1 . GLY 57 57 6334 1 . ARG 58 58 6334 1 . LEU 59 59 6334 1 . ILE 60 60 6334 1 . ASP 61 61 6334 1 . GLY 62 62 6334 1 . THR 63 63 6334 1 . VAL 64 64 6334 1 . PHE 65 65 6334 1 . ASP 66 66 6334 1 . SER 67 67 6334 1 . THR 68 68 6334 1 . GLU 69 69 6334 1 . LYS 70 70 6334 1 . THR 71 71 6334 1 . GLY 72 72 6334 1 . LYS 73 73 6334 1 . PRO 74 74 6334 1 . ALA 75 75 6334 1 . THR 76 76 6334 1 . PHE 77 77 6334 1 . GLN 78 78 6334 1 . VAL 79 79 6334 1 . SER 80 80 6334 1 . GLN 81 81 6334 1 . VAL 82 82 6334 1 . ILE 83 83 6334 1 . PRO 84 84 6334 1 . GLY 85 85 6334 1 . TRP 86 86 6334 1 . THR 87 87 6334 1 . GLU 88 88 6334 1 . ALA 89 89 6334 1 . LEU 90 90 6334 1 . GLN 91 91 6334 1 . LEU 92 92 6334 1 . MET 93 93 6334 1 . PRO 94 94 6334 1 . ALA 95 95 6334 1 . GLY 96 96 6334 1 . SER 97 97 6334 1 . THR 98 98 6334 1 . TRP 99 99 6334 1 . GLU 100 100 6334 1 . ILE 101 101 6334 1 . TYR 102 102 6334 1 . VAL 103 103 6334 1 . PRO 104 104 6334 1 . SER 105 105 6334 1 . GLY 106 106 6334 1 . LEU 107 107 6334 1 . ALA 108 108 6334 1 . TYR 109 109 6334 1 . GLY 110 110 6334 1 . PRO 111 111 6334 1 . ARG 112 112 6334 1 . SER 113 113 6334 1 . VAL 114 114 6334 1 . GLY 115 115 6334 1 . GLY 116 116 6334 1 . PRO 117 117 6334 1 . ILE 118 118 6334 1 . GLY 119 119 6334 1 . PRO 120 120 6334 1 . ASN 121 121 6334 1 . GLU 122 122 6334 1 . THR 123 123 6334 1 . LEU 124 124 6334 1 . ILE 125 125 6334 1 . PHE 126 126 6334 1 . LYS 127 127 6334 1 . ILE 128 128 6334 1 . HIS 129 129 6334 1 . LEU 130 130 6334 1 . ILE 131 131 6334 1 . SER 132 132 6334 1 . VAL 133 133 6334 1 . LYS 134 134 6334 1 . LYS 135 135 6334 1 . SER 136 136 6334 1 . SER 137 137 6334 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 6334 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Mip_monomer . 446 . . 'Legionella L. pneumophila' 'Legionella pneumophila' . . Eubacteria . Legionella 'L. pneumophila' . . . . . . . . . . . . . . . . . . . . . 6334 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 6334 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Mip_monomer . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6334 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Mip_mono_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Mip_mono_sample_1 _Sample.Entry_ID 6334 _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 'macrophage infectivity potentiator protein' '[U-13C; U-15N]' . . 1 $Mip_monomer . . 2.5 . . mM . . . . 6334 1 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 6334 _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 pH* 6.5 0.2 na 6334 1 temperature 298 0.5 K 6334 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 6334 _Software.ID 1 _Software.Name NMRVIEW _Software.Version 5.22 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated peak picking' 6334 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6334 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6334 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6334 _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_1 Bruker Avance . 700 . . . 6334 1 2 NMR_spectrometer_2 Bruker Avance . 750 . . . 6334 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 6334 _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 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6334 1 2 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6334 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6334 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6334 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6334 1 6 'C(CO) NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6334 1 7 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6334 1 8 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6334 1 9 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6334 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6334 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6334 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6334 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6334 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6334 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6334 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 'C(CO) NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6334 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6334 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6334 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6334 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 6334 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6334 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6334 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_set _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode set _Assigned_chem_shift_list.Entry_ID 6334 _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 _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 '1H-15N NOESY' 1 $Mip_mono_sample_1 . 6334 1 2 HNCO 1 $Mip_mono_sample_1 . 6334 1 3 HNCA 1 $Mip_mono_sample_1 . 6334 1 4 CBCA(CO)NH 1 $Mip_mono_sample_1 . 6334 1 5 HNCACB 1 $Mip_mono_sample_1 . 6334 1 6 'C(CO) NH' 1 $Mip_mono_sample_1 . 6334 1 7 HCCH-TOCSY 1 $Mip_mono_sample_1 . 6334 1 8 HBHA(CO)NH 1 $Mip_mono_sample_1 . 6334 1 9 HNHA 1 $Mip_mono_sample_1 . 6334 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN CA C 13 52.846 0.05 . 1 . . . . . . . . 6334 1 2 . 1 1 2 2 ASN HA H 1 4.809 0.01 . 1 . . . . . . . . 6334 1 3 . 1 1 2 2 ASN C C 13 175.03618 0.05 . 1 . . . . . . . . 6334 1 4 . 1 1 2 2 ASN CB C 13 38.752 0.05 . 1 . . . . . . . . 6334 1 5 . 1 1 2 2 ASN HB2 H 1 2.986 0.01 . 1 . . . . . . . . 6334 1 6 . 1 1 2 2 ASN HB3 H 1 2.986 0.01 . 1 . . . . . . . . 6334 1 7 . 1 1 3 3 LYS H H 1 8.695 0.01 . 1 . . . . . . . . 6334 1 8 . 1 1 3 3 LYS N N 15 123.922 0.05 . 1 . . . . . . . . 6334 1 9 . 1 1 3 3 LYS CA C 13 57.548 0.05 . 1 . . . . . . . . 6334 1 10 . 1 1 3 3 LYS HA H 1 4.283 0.01 . 1 . . . . . . . . 6334 1 11 . 1 1 3 3 LYS C C 13 177.472 0.05 . 1 . . . . . . . . 6334 1 12 . 1 1 3 3 LYS CB C 13 32.811 0.05 . 1 . . . . . . . . 6334 1 13 . 1 1 3 3 LYS HB2 H 1 1.917 0.01 . 1 . . . . . . . . 6334 1 14 . 1 1 3 3 LYS HB3 H 1 1.917 0.01 . 1 . . . . . . . . 6334 1 15 . 1 1 3 3 LYS CG C 13 25.08 0.05 . 1 . . . . . . . . 6334 1 16 . 1 1 3 3 LYS HG2 H 1 1.533 0.01 . 1 . . . . . . . . 6334 1 17 . 1 1 3 3 LYS HG3 H 1 1.533 0.01 . 1 . . . . . . . . 6334 1 18 . 1 1 3 3 LYS CD C 13 25.08 0.05 . 1 . . . . . . . . 6334 1 19 . 1 1 3 3 LYS HD2 H 1 1.507 0.01 . 1 . . . . . . . . 6334 1 20 . 1 1 3 3 LYS HD3 H 1 1.732 0.01 . 1 . . . . . . . . 6334 1 21 . 1 1 3 3 LYS CE C 13 29.216 0.05 . 1 . . . . . . . . 6334 1 22 . 1 1 3 3 LYS HE2 H 1 3.018 0.01 . 1 . . . . . . . . 6334 1 23 . 1 1 3 3 LYS HE3 H 1 3.018 0.01 . 1 . . . . . . . . 6334 1 24 . 1 1 4 4 LYS H H 1 8.413 0.01 . 1 . . . . . . . . 6334 1 25 . 1 1 4 4 LYS N N 15 121.576 0.05 . 1 . . . . . . . . 6334 1 26 . 1 1 4 4 LYS CA C 13 57.743 0.05 . 1 . . . . . . . . 6334 1 27 . 1 1 4 4 LYS HA H 1 4.189 0.01 . 1 . . . . . . . . 6334 1 28 . 1 1 4 4 LYS C C 13 177.6303 0.05 . 1 . . . . . . . . 6334 1 29 . 1 1 4 4 LYS CB C 13 32.176 0.05 . 1 . . . . . . . . 6334 1 30 . 1 1 4 4 LYS HB2 H 1 1.866 0.01 . 1 . . . . . . . . 6334 1 31 . 1 1 4 4 LYS HB3 H 1 1.866 0.01 . 1 . . . . . . . . 6334 1 32 . 1 1 4 4 LYS CG C 13 24.743 0.05 . 1 . . . . . . . . 6334 1 33 . 1 1 4 4 LYS HG2 H 1 1.501 0.01 . 1 . . . . . . . . 6334 1 34 . 1 1 4 4 LYS HG3 H 1 1.501 0.01 . 1 . . . . . . . . 6334 1 35 . 1 1 4 4 LYS CD C 13 28.372 0.05 . 1 . . . . . . . . 6334 1 36 . 1 1 4 4 LYS HD2 H 1 1.73 0.01 . 1 . . . . . . . . 6334 1 37 . 1 1 4 4 LYS HD3 H 1 1.73 0.01 . 1 . . . . . . . . 6334 1 38 . 1 1 4 4 LYS CE C 13 42.719 0.05 . 1 . . . . . . . . 6334 1 39 . 1 1 4 4 LYS HE2 H 1 3.038 0.01 . 1 . . . . . . . . 6334 1 40 . 1 1 4 4 LYS HE3 H 1 3.038 0.01 . 1 . . . . . . . . 6334 1 41 . 1 1 5 5 ALA H H 1 8.242 0.01 . 1 . . . . . . . . 6334 1 42 . 1 1 5 5 ALA N N 15 121.861 0.05 . 1 . . . . . . . . 6334 1 43 . 1 1 5 5 ALA CA C 13 55.122 0.05 . 1 . . . . . . . . 6334 1 44 . 1 1 5 5 ALA HA H 1 3.917 0.01 . 1 . . . . . . . . 6334 1 45 . 1 1 5 5 ALA C C 13 175.2342 0.05 . 1 . . . . . . . . 6334 1 46 . 1 1 5 5 ALA CB C 13 18.43 0.05 . 1 . . . . . . . . 6334 1 47 . 1 1 5 5 ALA HB1 H 1 1.408 0.01 . 1 . . . . . . . . 6334 1 48 . 1 1 5 5 ALA HB2 H 1 1.408 0.01 . 1 . . . . . . . . 6334 1 49 . 1 1 5 5 ALA HB3 H 1 1.408 0.01 . 1 . . . . . . . . 6334 1 50 . 1 1 6 6 ASP H H 1 7.989 0.01 . 1 . . . . . . . . 6334 1 51 . 1 1 6 6 ASP N N 15 119.043 0.05 . 1 . . . . . . . . 6334 1 52 . 1 1 6 6 ASP CA C 13 56.591 0.05 . 1 . . . . . . . . 6334 1 53 . 1 1 6 6 ASP HA H 1 4.517 0.01 . 1 . . . . . . . . 6334 1 54 . 1 1 6 6 ASP C C 13 178.1413 0.05 . 1 . . . . . . . . 6334 1 55 . 1 1 6 6 ASP CB C 13 40.451 0.05 . 1 . . . . . . . . 6334 1 56 . 1 1 6 6 ASP HB2 H 1 2.747 0.01 . 1 . . . . . . . . 6334 1 57 . 1 1 6 6 ASP HB3 H 1 2.747 0.01 . 1 . . . . . . . . 6334 1 58 . 1 1 7 7 GLU H H 1 8.191 0.01 . 1 . . . . . . . . 6334 1 59 . 1 1 7 7 GLU N N 15 121.404 0.05 . 1 . . . . . . . . 6334 1 60 . 1 1 7 7 GLU CA C 13 59.132 0.05 . 1 . . . . . . . . 6334 1 61 . 1 1 7 7 GLU HA H 1 4.067 0.01 . 1 . . . . . . . . 6334 1 62 . 1 1 7 7 GLU C C 13 178.9363 0.05 . 1 . . . . . . . . 6334 1 63 . 1 1 7 7 GLU CB C 13 29.706 0.05 . 1 . . . . . . . . 6334 1 64 . 1 1 7 7 GLU HB2 H 1 2.129 0.01 . 1 . . . . . . . . 6334 1 65 . 1 1 7 7 GLU HB3 H 1 2.129 0.01 . 1 . . . . . . . . 6334 1 66 . 1 1 7 7 GLU CG C 13 36.558 0.05 . 1 . . . . . . . . 6334 1 67 . 1 1 7 7 GLU HG2 H 1 2.266 0.01 . 1 . . . . . . . . 6334 1 68 . 1 1 7 7 GLU HG3 H 1 2.266 0.01 . 1 . . . . . . . . 6334 1 69 . 1 1 8 8 ASN H H 1 8.584 0.01 . 1 . . . . . . . . 6334 1 70 . 1 1 8 8 ASN N N 15 118.722 0.05 . 1 . . . . . . . . 6334 1 71 . 1 1 8 8 ASN CA C 13 55.317 0.05 . 1 . . . . . . . . 6334 1 72 . 1 1 8 8 ASN HA H 1 4.517 0.01 . 1 . . . . . . . . 6334 1 73 . 1 1 8 8 ASN C C 13 178.7961 0.05 . 1 . . . . . . . . 6334 1 74 . 1 1 8 8 ASN CB C 13 37.156 0.05 . 1 . . . . . . . . 6334 1 75 . 1 1 8 8 ASN HB2 H 1 3.018 0.01 . 1 . . . . . . . . 6334 1 76 . 1 1 8 8 ASN HB3 H 1 3.018 0.01 . 1 . . . . . . . . 6334 1 77 . 1 1 8 8 ASN ND2 N 15 109.935 0.05 . 1 . . . . . . . . 6334 1 78 . 1 1 8 8 ASN HD21 H 1 7.94 0.01 . 1 . . . . . . . . 6334 1 79 . 1 1 8 8 ASN HD22 H 1 7.076 0.01 . 1 . . . . . . . . 6334 1 80 . 1 1 9 9 LYS H H 1 7.795 0.01 . 1 . . . . . . . . 6334 1 81 . 1 1 9 9 LYS N N 15 122.201 0.05 . 1 . . . . . . . . 6334 1 82 . 1 1 9 9 LYS CA C 13 59.556 0.05 . 1 . . . . . . . . 6334 1 83 . 1 1 9 9 LYS HA H 1 4.339 0.01 . 1 . . . . . . . . 6334 1 84 . 1 1 9 9 LYS C C 13 178.563 0.05 . 1 . . . . . . . . 6334 1 85 . 1 1 9 9 LYS CB C 13 32.865 0.05 . 1 . . . . . . . . 6334 1 86 . 1 1 9 9 LYS HB2 H 1 2.185 0.01 . 1 . . . . . . . . 6334 1 87 . 1 1 9 9 LYS HB3 H 1 1.941 0.01 . 1 . . . . . . . . 6334 1 88 . 1 1 10 10 VAL H H 1 7.788 0.01 . 1 . . . . . . . . 6334 1 89 . 1 1 10 10 VAL N N 15 118.869 0.05 . 1 . . . . . . . . 6334 1 90 . 1 1 10 10 VAL CA C 13 65.962 0.05 . 1 . . . . . . . . 6334 1 91 . 1 1 10 10 VAL HA H 1 3.884 0.01 . 1 . . . . . . . . 6334 1 92 . 1 1 10 10 VAL C C 13 179.225 0.05 . 1 . . . . . . . . 6334 1 93 . 1 1 10 10 VAL CB C 13 32.089 0.05 . 1 . . . . . . . . 6334 1 94 . 1 1 10 10 VAL HB H 1 2.233 0.01 . 1 . . . . . . . . 6334 1 95 . 1 1 10 10 VAL CG1 C 13 22.3448 0.05 . 1 . . . . . . . . 6334 1 96 . 1 1 10 10 VAL HG11 H 1 1.145 0.01 . 1 . . . . . . . . 6334 1 97 . 1 1 10 10 VAL HG12 H 1 1.145 0.01 . 1 . . . . . . . . 6334 1 98 . 1 1 10 10 VAL HG13 H 1 1.145 0.01 . 1 . . . . . . . . 6334 1 99 . 1 1 10 10 VAL CG2 C 13 21.2445 0.05 . 1 . . . . . . . . 6334 1 100 . 1 1 10 10 VAL HG21 H 1 1.04 0.01 . 1 . . . . . . . . 6334 1 101 . 1 1 10 10 VAL HG22 H 1 1.04 0.01 . 1 . . . . . . . . 6334 1 102 . 1 1 10 10 VAL HG23 H 1 1.04 0.01 . 1 . . . . . . . . 6334 1 103 . 1 1 11 11 LYS H H 1 8.461 0.01 . 1 . . . . . . . . 6334 1 104 . 1 1 11 11 LYS N N 15 120.972 0.05 . 1 . . . . . . . . 6334 1 105 . 1 1 11 11 LYS CA C 13 59.588 0.05 . 1 . . . . . . . . 6334 1 106 . 1 1 11 11 LYS HA H 1 4.19 0.01 . 1 . . . . . . . . 6334 1 107 . 1 1 11 11 LYS C C 13 180.239 0.05 . 1 . . . . . . . . 6334 1 108 . 1 1 11 11 LYS CB C 13 32.52 0.05 . 1 . . . . . . . . 6334 1 109 . 1 1 11 11 LYS HB2 H 1 1.966 0.01 . 1 . . . . . . . . 6334 1 110 . 1 1 11 11 LYS HB3 H 1 1.966 0.01 . 1 . . . . . . . . 6334 1 111 . 1 1 11 11 LYS CG C 13 25.6197 0.05 . 1 . . . . . . . . 6334 1 112 . 1 1 11 11 LYS HG2 H 1 1.749 0.01 . 1 . . . . . . . . 6334 1 113 . 1 1 11 11 LYS HG3 H 1 1.521 0.01 . 1 . . . . . . . . 6334 1 114 . 1 1 11 11 LYS CE C 13 42.308 0.05 . 1 . . . . . . . . 6334 1 115 . 1 1 11 11 LYS HE2 H 1 3.018 0.01 . 1 . . . . . . . . 6334 1 116 . 1 1 11 11 LYS HE3 H 1 3.018 0.01 . 1 . . . . . . . . 6334 1 117 . 1 1 12 12 GLY H H 1 8.406 0.01 . 1 . . . . . . . . 6334 1 118 . 1 1 12 12 GLY N N 15 109.369 0.05 . 1 . . . . . . . . 6334 1 119 . 1 1 12 12 GLY CA C 13 47.884 0.05 . 1 . . . . . . . . 6334 1 120 . 1 1 12 12 GLY HA2 H 1 4.4 0.01 . 1 . . . . . . . . 6334 1 121 . 1 1 12 12 GLY HA3 H 1 3.945 0.01 . 1 . . . . . . . . 6334 1 122 . 1 1 12 12 GLY C C 13 175.7945 0.05 . 1 . . . . . . . . 6334 1 123 . 1 1 13 13 GLU H H 1 8.2 0.01 . 1 . . . . . . . . 6334 1 124 . 1 1 13 13 GLU N N 15 121.115 0.05 . 1 . . . . . . . . 6334 1 125 . 1 1 13 13 GLU CA C 13 62.467 0.05 . 1 . . . . . . . . 6334 1 126 . 1 1 13 13 GLU HA H 1 4.103 0.01 . 1 . . . . . . . . 6334 1 127 . 1 1 13 13 GLU C C 13 179.7806 0.05 . 1 . . . . . . . . 6334 1 128 . 1 1 13 13 GLU CB C 13 27.443 0.05 . 1 . . . . . . . . 6334 1 129 . 1 1 13 13 GLU CG C 13 32.338 0.05 . 1 . . . . . . . . 6334 1 130 . 1 1 14 14 ALA H H 1 8.338 0.01 . 1 . . . . . . . . 6334 1 131 . 1 1 14 14 ALA N N 15 123.256 0.05 . 1 . . . . . . . . 6334 1 132 . 1 1 14 14 ALA CA C 13 55.264 0.05 . 1 . . . . . . . . 6334 1 133 . 1 1 14 14 ALA HA H 1 4.226 0.01 . 1 . . . . . . . . 6334 1 134 . 1 1 14 14 ALA C C 13 180.3781 0.05 . 1 . . . . . . . . 6334 1 135 . 1 1 14 14 ALA CB C 13 17.788 0.05 . 1 . . . . . . . . 6334 1 136 . 1 1 14 14 ALA HB1 H 1 1.595 0.01 . 1 . . . . . . . . 6334 1 137 . 1 1 14 14 ALA HB2 H 1 1.595 0.01 . 1 . . . . . . . . 6334 1 138 . 1 1 14 14 ALA HB3 H 1 1.595 0.01 . 1 . . . . . . . . 6334 1 139 . 1 1 15 15 PHE H H 1 8.092 0.01 . 1 . . . . . . . . 6334 1 140 . 1 1 15 15 PHE N N 15 119.628 0.05 . 1 . . . . . . . . 6334 1 141 . 1 1 15 15 PHE CA C 13 61.603 0.05 . 1 . . . . . . . . 6334 1 142 . 1 1 15 15 PHE HA H 1 4.226 0.01 . 1 . . . . . . . . 6334 1 143 . 1 1 15 15 PHE C C 13 174.695 0.05 . 1 . . . . . . . . 6334 1 144 . 1 1 15 15 PHE CB C 13 39.369 0.05 . 1 . . . . . . . . 6334 1 145 . 1 1 15 15 PHE HB2 H 1 3.407 0.01 . 1 . . . . . . . . 6334 1 146 . 1 1 15 15 PHE HB3 H 1 3.407 0.01 . 1 . . . . . . . . 6334 1 147 . 1 1 15 15 PHE CD1 C 13 132.215 0.05 . 1 . . . . . . . . 6334 1 148 . 1 1 15 15 PHE HD1 H 1 7.189 0.01 . 1 . . . . . . . . 6334 1 149 . 1 1 15 15 PHE HD2 H 1 7.189 0.01 . 1 . . . . . . . . 6334 1 150 . 1 1 15 15 PHE HE1 H 1 7.147 0.01 . 1 . . . . . . . . 6334 1 151 . 1 1 15 15 PHE HE2 H 1 7.147 0.01 . 1 . . . . . . . . 6334 1 152 . 1 1 16 16 LEU H H 1 8.482 0.01 . 1 . . . . . . . . 6334 1 153 . 1 1 16 16 LEU N N 15 119.628 0.05 . 1 . . . . . . . . 6334 1 154 . 1 1 16 16 LEU CA C 13 57.936 0.05 . 1 . . . . . . . . 6334 1 155 . 1 1 16 16 LEU HA H 1 3.749 0.01 . 1 . . . . . . . . 6334 1 156 . 1 1 16 16 LEU C C 13 179.6249 0.05 . 1 . . . . . . . . 6334 1 157 . 1 1 16 16 LEU CB C 13 40.558 0.05 . 1 . . . . . . . . 6334 1 158 . 1 1 16 16 LEU HB2 H 1 2.044 0.01 . 1 . . . . . . . . 6334 1 159 . 1 1 16 16 LEU HB3 H 1 1.557 0.01 . 1 . . . . . . . . 6334 1 160 . 1 1 16 16 LEU CG C 13 26.937 0.05 . 1 . . . . . . . . 6334 1 161 . 1 1 16 16 LEU CD1 C 13 27.812 0.05 . 1 . . . . . . . . 6334 1 162 . 1 1 16 16 LEU HD11 H 1 1.025 0.01 . 4 . . . . . . . . 6334 1 163 . 1 1 16 16 LEU HD12 H 1 1.025 0.01 . 4 . . . . . . . . 6334 1 164 . 1 1 16 16 LEU HD13 H 1 1.025 0.01 . 4 . . . . . . . . 6334 1 165 . 1 1 16 16 LEU CD2 C 13 27.812 0.05 . 1 . . . . . . . . 6334 1 166 . 1 1 16 16 LEU HD21 H 1 1.025 0.01 . 4 . . . . . . . . 6334 1 167 . 1 1 16 16 LEU HD22 H 1 1.025 0.01 . 4 . . . . . . . . 6334 1 168 . 1 1 16 16 LEU HD23 H 1 1.025 0.01 . 4 . . . . . . . . 6334 1 169 . 1 1 16 16 LEU HG H 1 2.13 0.01 . 4 . . . . . . . . 6334 1 170 . 1 1 17 17 THR H H 1 8.291 0.01 . 1 . . . . . . . . 6334 1 171 . 1 1 17 17 THR N N 15 117.375 0.05 . 1 . . . . . . . . 6334 1 172 . 1 1 17 17 THR CA C 13 68.722 0.05 . 1 . . . . . . . . 6334 1 173 . 1 1 17 17 THR HA H 1 4.288 0.01 . 1 . . . . . . . . 6334 1 174 . 1 1 17 17 THR C C 13 175.5555 0.05 . 1 . . . . . . . . 6334 1 175 . 1 1 17 17 THR CB C 13 67.082 0.05 . 1 . . . . . . . . 6334 1 176 . 1 1 17 17 THR HB H 1 3.769 0.01 . 1 . . . . . . . . 6334 1 177 . 1 1 17 17 THR CG2 C 13 21.873 0.05 . 1 . . . . . . . . 6334 1 178 . 1 1 17 17 THR HG21 H 1 1.22 0.01 . 1 . . . . . . . . 6334 1 179 . 1 1 17 17 THR HG22 H 1 1.22 0.01 . 1 . . . . . . . . 6334 1 180 . 1 1 17 17 THR HG23 H 1 1.22 0.01 . 1 . . . . . . . . 6334 1 181 . 1 1 18 18 GLU H H 1 7.51 0.01 . 1 . . . . . . . . 6334 1 182 . 1 1 18 18 GLU N N 15 120.715 0.05 . 1 . . . . . . . . 6334 1 183 . 1 1 18 18 GLU CA C 13 58.292 0.05 . 1 . . . . . . . . 6334 1 184 . 1 1 18 18 GLU HA H 1 4.052 0.01 . 1 . . . . . . . . 6334 1 185 . 1 1 18 18 GLU C C 13 179.2489 0.05 . 1 . . . . . . . . 6334 1 186 . 1 1 18 18 GLU CB C 13 29.353 0.05 . 1 . . . . . . . . 6334 1 187 . 1 1 18 18 GLU HB2 H 1 1.956 0.01 . 1 . . . . . . . . 6334 1 188 . 1 1 18 18 GLU HB3 H 1 1.956 0.01 . 1 . . . . . . . . 6334 1 189 . 1 1 18 18 GLU CG C 13 36.136 0.05 . 1 . . . . . . . . 6334 1 190 . 1 1 18 18 GLU HG2 H 1 2.226 0.01 . 1 . . . . . . . . 6334 1 191 . 1 1 18 18 GLU HG3 H 1 2.226 0.01 . 1 . . . . . . . . 6334 1 192 . 1 1 19 19 ASN H H 1 8.299 0.01 . 1 . . . . . . . . 6334 1 193 . 1 1 19 19 ASN N N 15 118.687 0.05 . 1 . . . . . . . . 6334 1 194 . 1 1 19 19 ASN CA C 13 55.906 0.05 . 1 . . . . . . . . 6334 1 195 . 1 1 19 19 ASN HA H 1 3.873 0.01 . 1 . . . . . . . . 6334 1 196 . 1 1 19 19 ASN C C 13 176.1812 0.05 . 1 . . . . . . . . 6334 1 197 . 1 1 19 19 ASN CB C 13 37.949 0.05 . 1 . . . . . . . . 6334 1 198 . 1 1 19 19 ASN HB2 H 1 2.589 0.01 . 1 . . . . . . . . 6334 1 199 . 1 1 19 19 ASN HB3 H 1 2.636 0.01 . 1 . . . . . . . . 6334 1 200 . 1 1 19 19 ASN ND2 N 15 113.113 0.05 . 1 . . . . . . . . 6334 1 201 . 1 1 19 19 ASN HD21 H 1 7.799 0.01 . 1 . . . . . . . . 6334 1 202 . 1 1 19 19 ASN HD22 H 1 6.948 0.01 . 1 . . . . . . . . 6334 1 203 . 1 1 20 20 LYS H H 1 6.993 0.01 . 1 . . . . . . . . 6334 1 204 . 1 1 20 20 LYS N N 15 111.82 0.05 . 1 . . . . . . . . 6334 1 205 . 1 1 20 20 LYS CA C 13 58.215 0.05 . 1 . . . . . . . . 6334 1 206 . 1 1 20 20 LYS HA H 1 3.646 0.01 . 1 . . . . . . . . 6334 1 207 . 1 1 20 20 LYS C C 13 175.7247 0.05 . 1 . . . . . . . . 6334 1 208 . 1 1 20 20 LYS CB C 13 32.12 0.05 . 1 . . . . . . . . 6334 1 209 . 1 1 20 20 LYS HB2 H 1 1.739 0.01 . 1 . . . . . . . . 6334 1 210 . 1 1 20 20 LYS HB3 H 1 1.739 0.01 . 1 . . . . . . . . 6334 1 211 . 1 1 20 20 LYS CG C 13 24.106 0.05 . 1 . . . . . . . . 6334 1 212 . 1 1 20 20 LYS HG2 H 1 1.395 0.01 . 1 . . . . . . . . 6334 1 213 . 1 1 20 20 LYS HG3 H 1 1.395 0.01 . 1 . . . . . . . . 6334 1 214 . 1 1 20 20 LYS CD C 13 29.801 0.05 . 1 . . . . . . . . 6334 1 215 . 1 1 20 20 LYS HD2 H 1 1.653 0.01 . 1 . . . . . . . . 6334 1 216 . 1 1 20 20 LYS HD3 H 1 1.653 0.01 . 1 . . . . . . . . 6334 1 217 . 1 1 20 20 LYS CE C 13 42.036 0.05 . 1 . . . . . . . . 6334 1 218 . 1 1 20 20 LYS HE2 H 1 2.972 0.01 . 1 . . . . . . . . 6334 1 219 . 1 1 20 20 LYS HE3 H 1 2.972 0.01 . 1 . . . . . . . . 6334 1 220 . 1 1 21 21 ASN H H 1 7.07 0.01 . 1 . . . . . . . . 6334 1 221 . 1 1 21 21 ASN N N 15 113.737 0.05 . 1 . . . . . . . . 6334 1 222 . 1 1 21 21 ASN CA C 13 52.537 0.05 . 1 . . . . . . . . 6334 1 223 . 1 1 21 21 ASN HA H 1 4.807 0.01 . 1 . . . . . . . . 6334 1 224 . 1 1 21 21 ASN C C 13 175.5994 0.05 . 1 . . . . . . . . 6334 1 225 . 1 1 21 21 ASN CB C 13 39.298 0.05 . 1 . . . . . . . . 6334 1 226 . 1 1 21 21 ASN HB2 H 1 2.976 0.01 . 1 . . . . . . . . 6334 1 227 . 1 1 21 21 ASN HB3 H 1 2.636 0.01 . 1 . . . . . . . . 6334 1 228 . 1 1 21 21 ASN ND2 N 15 113.113 0.05 . 1 . . . . . . . . 6334 1 229 . 1 1 21 21 ASN HD21 H 1 7.799 0.01 . 1 . . . . . . . . 6334 1 230 . 1 1 21 21 ASN HD22 H 1 6.948 0.01 . 1 . . . . . . . . 6334 1 231 . 1 1 22 22 LYS H H 1 7.486 0.01 . 1 . . . . . . . . 6334 1 232 . 1 1 22 22 LYS N N 15 122.21 0.05 . 1 . . . . . . . . 6334 1 233 . 1 1 22 22 LYS CA C 13 54.78 0.05 . 1 . . . . . . . . 6334 1 234 . 1 1 22 22 LYS HA H 1 4.375 0.01 . 1 . . . . . . . . 6334 1 235 . 1 1 22 22 LYS CB C 13 30.674 0.05 . 1 . . . . . . . . 6334 1 236 . 1 1 22 22 LYS HB2 H 1 1.679 0.01 . 1 . . . . . . . . 6334 1 237 . 1 1 22 22 LYS HB3 H 1 1.679 0.01 . 1 . . . . . . . . 6334 1 238 . 1 1 22 22 LYS HG2 H 1 1.402 0.01 . 1 . . . . . . . . 6334 1 239 . 1 1 22 22 LYS CD C 13 28.6326 0.05 . 1 . . . . . . . . 6334 1 240 . 1 1 22 22 LYS HD3 H 1 1.091 0.01 . 1 . . . . . . . . 6334 1 241 . 1 1 22 22 LYS CE C 13 42.5785 0.05 . 1 . . . . . . . . 6334 1 242 . 1 1 22 22 LYS HE2 H 1 2.899 0.01 . 1 . . . . . . . . 6334 1 243 . 1 1 22 22 LYS HE3 H 1 2.899 0.01 . 1 . . . . . . . . 6334 1 244 . 1 1 23 23 PRO CA C 13 63.989 0.05 . 1 . . . . . . . . 6334 1 245 . 1 1 23 23 PRO HA H 1 4.258 0.01 . 1 . . . . . . . . 6334 1 246 . 1 1 23 23 PRO C C 13 178.08911 0.05 . 1 . . . . . . . . 6334 1 247 . 1 1 23 23 PRO CB C 13 31.756 0.05 . 1 . . . . . . . . 6334 1 248 . 1 1 23 23 PRO HB2 H 1 2.282 0.01 . 1 . . . . . . . . 6334 1 249 . 1 1 23 23 PRO HB3 H 1 1.87 0.01 . 1 . . . . . . . . 6334 1 250 . 1 1 23 23 PRO CG C 13 28.0857 0.05 . 1 . . . . . . . . 6334 1 251 . 1 1 23 23 PRO HG2 H 1 2.101 0.01 . 1 . . . . . . . . 6334 1 252 . 1 1 23 23 PRO HG3 H 1 2.101 0.01 . 1 . . . . . . . . 6334 1 253 . 1 1 23 23 PRO CD C 13 50.5086 0.05 . 1 . . . . . . . . 6334 1 254 . 1 1 23 23 PRO HD2 H 1 3.823 0.01 . 1 . . . . . . . . 6334 1 255 . 1 1 23 23 PRO HD3 H 1 3.823 0.01 . 1 . . . . . . . . 6334 1 256 . 1 1 24 24 GLY H H 1 8.738 0.01 . 1 . . . . . . . . 6334 1 257 . 1 1 24 24 GLY N N 15 111.687 0.05 . 1 . . . . . . . . 6334 1 258 . 1 1 24 24 GLY CA C 13 45.195 0.05 . 1 . . . . . . . . 6334 1 259 . 1 1 24 24 GLY HA2 H 1 4.07 0.01 . 1 . . . . . . . . 6334 1 260 . 1 1 24 24 GLY HA3 H 1 3.593 0.01 . 1 . . . . . . . . 6334 1 261 . 1 1 24 24 GLY C C 13 173.30074 0.05 . 1 . . . . . . . . 6334 1 262 . 1 1 25 25 VAL H H 1 7.131 0.01 . 1 . . . . . . . . 6334 1 263 . 1 1 25 25 VAL N N 15 120.514 0.05 . 1 . . . . . . . . 6334 1 264 . 1 1 25 25 VAL CA C 13 63.802 0.05 . 1 . . . . . . . . 6334 1 265 . 1 1 25 25 VAL HA H 1 4.061 0.01 . 1 . . . . . . . . 6334 1 266 . 1 1 25 25 VAL C C 13 175.7554 0.05 . 1 . . . . . . . . 6334 1 267 . 1 1 25 25 VAL CB C 13 31.727 0.05 . 1 . . . . . . . . 6334 1 268 . 1 1 25 25 VAL HB H 1 1.767 0.01 . 1 . . . . . . . . 6334 1 269 . 1 1 25 25 VAL CG1 C 13 23.73 0.05 . 1 . . . . . . . . 6334 1 270 . 1 1 25 25 VAL HG11 H 1 0.637 0.01 . 1 . . . . . . . . 6334 1 271 . 1 1 25 25 VAL HG12 H 1 0.637 0.01 . 1 . . . . . . . . 6334 1 272 . 1 1 25 25 VAL HG13 H 1 0.637 0.01 . 1 . . . . . . . . 6334 1 273 . 1 1 25 25 VAL CG2 C 13 23.73 0.05 . 1 . . . . . . . . 6334 1 274 . 1 1 25 25 VAL HG21 H 1 0.637 0.01 . 1 . . . . . . . . 6334 1 275 . 1 1 25 25 VAL HG22 H 1 0.637 0.01 . 1 . . . . . . . . 6334 1 276 . 1 1 25 25 VAL HG23 H 1 0.637 0.01 . 1 . . . . . . . . 6334 1 277 . 1 1 26 26 VAL H H 1 9.25 0.01 . 1 . . . . . . . . 6334 1 278 . 1 1 26 26 VAL N N 15 109.35 0.05 . 1 . . . . . . . . 6334 1 279 . 1 1 26 26 VAL CA C 13 61.473 0.05 . 1 . . . . . . . . 6334 1 280 . 1 1 26 26 VAL HA H 1 3.826 0.01 . 1 . . . . . . . . 6334 1 281 . 1 1 26 26 VAL C C 13 174.21872 0.05 . 1 . . . . . . . . 6334 1 282 . 1 1 26 26 VAL CB C 13 32.726 0.05 . 1 . . . . . . . . 6334 1 283 . 1 1 26 26 VAL HB H 1 0.342 0.01 . 1 . . . . . . . . 6334 1 284 . 1 1 26 26 VAL CG1 C 13 21.139 0.05 . 1 . . . . . . . . 6334 1 285 . 1 1 26 26 VAL HG11 H 1 0.517 0.01 . 1 . . . . . . . . 6334 1 286 . 1 1 26 26 VAL HG12 H 1 0.517 0.01 . 1 . . . . . . . . 6334 1 287 . 1 1 26 26 VAL HG13 H 1 0.517 0.01 . 1 . . . . . . . . 6334 1 288 . 1 1 26 26 VAL CG2 C 13 21.139 0.05 . 1 . . . . . . . . 6334 1 289 . 1 1 26 26 VAL HG21 H 1 0.617 0.01 . 1 . . . . . . . . 6334 1 290 . 1 1 26 26 VAL HG22 H 1 0.617 0.01 . 1 . . . . . . . . 6334 1 291 . 1 1 26 26 VAL HG23 H 1 0.617 0.01 . 1 . . . . . . . . 6334 1 292 . 1 1 27 27 VAL H H 1 8.248 0.01 . 1 . . . . . . . . 6334 1 293 . 1 1 27 27 VAL N N 15 124.422 0.05 . 1 . . . . . . . . 6334 1 294 . 1 1 27 27 VAL CA C 13 61.173 0.05 . 1 . . . . . . . . 6334 1 295 . 1 1 27 27 VAL HA H 1 4.463 0.01 . 1 . . . . . . . . 6334 1 296 . 1 1 27 27 VAL C C 13 176.11171 0.05 . 1 . . . . . . . . 6334 1 297 . 1 1 27 27 VAL CB C 13 32.899 0.05 . 1 . . . . . . . . 6334 1 298 . 1 1 27 27 VAL HB H 1 1.944 0.01 . 1 . . . . . . . . 6334 1 299 . 1 1 27 27 VAL CG1 C 13 21.62 0.05 . 1 . . . . . . . . 6334 1 300 . 1 1 27 27 VAL HG11 H 1 0.967 0.01 . 1 . . . . . . . . 6334 1 301 . 1 1 27 27 VAL HG12 H 1 0.967 0.01 . 1 . . . . . . . . 6334 1 302 . 1 1 27 27 VAL HG13 H 1 0.967 0.01 . 1 . . . . . . . . 6334 1 303 . 1 1 27 27 VAL CG2 C 13 21.62 0.05 . 1 . . . . . . . . 6334 1 304 . 1 1 27 27 VAL HG21 H 1 0.967 0.01 . 1 . . . . . . . . 6334 1 305 . 1 1 27 27 VAL HG22 H 1 0.967 0.01 . 1 . . . . . . . . 6334 1 306 . 1 1 27 27 VAL HG23 H 1 0.967 0.01 . 1 . . . . . . . . 6334 1 307 . 1 1 28 28 LEU H H 1 8.993 0.01 . 1 . . . . . . . . 6334 1 308 . 1 1 28 28 LEU N N 15 129.84 0.05 . 1 . . . . . . . . 6334 1 309 . 1 1 28 28 LEU CA C 13 53.213 0.05 . 1 . . . . . . . . 6334 1 310 . 1 1 28 28 LEU HA H 1 4.824 0.01 . 1 . . . . . . . . 6334 1 311 . 1 1 28 28 LEU CB C 13 40.717 0.05 . 1 . . . . . . . . 6334 1 312 . 1 1 28 28 LEU HB2 H 1 2.048 0.01 . 1 . . . . . . . . 6334 1 313 . 1 1 28 28 LEU HB3 H 1 1.548 0.01 . 1 . . . . . . . . 6334 1 314 . 1 1 28 28 LEU CG C 13 25.65 0.05 . 1 . . . . . . . . 6334 1 315 . 1 1 28 28 LEU CD1 C 13 22.1 0.05 . 1 . . . . . . . . 6334 1 316 . 1 1 28 28 LEU HD11 H 1 0.854 0.01 . 1 . . . . . . . . 6334 1 317 . 1 1 28 28 LEU HD12 H 1 0.854 0.01 . 1 . . . . . . . . 6334 1 318 . 1 1 28 28 LEU HD13 H 1 0.854 0.01 . 1 . . . . . . . . 6334 1 319 . 1 1 28 28 LEU CD2 C 13 22.1 0.05 . 1 . . . . . . . . 6334 1 320 . 1 1 28 28 LEU HD21 H 1 0.854 0.01 . 1 . . . . . . . . 6334 1 321 . 1 1 28 28 LEU HD22 H 1 0.854 0.01 . 1 . . . . . . . . 6334 1 322 . 1 1 28 28 LEU HD23 H 1 0.854 0.01 . 1 . . . . . . . . 6334 1 323 . 1 1 28 28 LEU HG H 1 1.033 0.01 . 1 . . . . . . . . 6334 1 324 . 1 1 29 29 PRO CA C 13 65.629 0.05 . 1 . . . . . . . . 6334 1 325 . 1 1 29 29 PRO HA H 1 4.285 0.01 . 1 . . . . . . . . 6334 1 326 . 1 1 29 29 PRO C C 13 177.46997 0.05 . 1 . . . . . . . . 6334 1 327 . 1 1 29 29 PRO CB C 13 31.756 0.05 . 1 . . . . . . . . 6334 1 328 . 1 1 29 29 PRO HB2 H 1 2.421 0.01 . 1 . . . . . . . . 6334 1 329 . 1 1 29 29 PRO HB3 H 1 1.963 0.01 . 1 . . . . . . . . 6334 1 330 . 1 1 29 29 PRO CG C 13 27.716 0.05 . 1 . . . . . . . . 6334 1 331 . 1 1 29 29 PRO HG2 H 1 2.229 0.01 . 1 . . . . . . . . 6334 1 332 . 1 1 29 29 PRO HG3 H 1 2.091 0.01 . 1 . . . . . . . . 6334 1 333 . 1 1 29 29 PRO CD C 13 50.574 0.05 . 1 . . . . . . . . 6334 1 334 . 1 1 29 29 PRO HD2 H 1 3.9811 0.01 . 1 . . . . . . . . 6334 1 335 . 1 1 29 29 PRO HD3 H 1 3.9811 0.01 . 1 . . . . . . . . 6334 1 336 . 1 1 30 30 SER H H 1 8.441 0.01 . 1 . . . . . . . . 6334 1 337 . 1 1 30 30 SER N N 15 111.819 0.05 . 1 . . . . . . . . 6334 1 338 . 1 1 30 30 SER CA C 13 58.832 0.05 . 1 . . . . . . . . 6334 1 339 . 1 1 30 30 SER HA H 1 4.137 0.01 . 1 . . . . . . . . 6334 1 340 . 1 1 30 30 SER C C 13 175.50972 0.05 . 1 . . . . . . . . 6334 1 341 . 1 1 30 30 SER CB C 13 63.069 0.05 . 1 . . . . . . . . 6334 1 342 . 1 1 30 30 SER HB2 H 1 4.004 0.01 . 1 . . . . . . . . 6334 1 343 . 1 1 30 30 SER HB3 H 1 4.004 0.01 . 1 . . . . . . . . 6334 1 344 . 1 1 31 31 GLY H H 1 8.337 0.01 . 1 . . . . . . . . 6334 1 345 . 1 1 31 31 GLY N N 15 110.646 0.05 . 1 . . . . . . . . 6334 1 346 . 1 1 31 31 GLY CA C 13 44.143 0.05 . 1 . . . . . . . . 6334 1 347 . 1 1 31 31 GLY HA2 H 1 4.51 0.01 . 1 . . . . . . . . 6334 1 348 . 1 1 31 31 GLY HA3 H 1 3.545 0.01 . 1 . . . . . . . . 6334 1 349 . 1 1 31 31 GLY C C 13 173.55559 0.05 . 1 . . . . . . . . 6334 1 350 . 1 1 32 32 LEU H H 1 7.727 0.01 . 1 . . . . . . . . 6334 1 351 . 1 1 32 32 LEU N N 15 122.04 0.05 . 1 . . . . . . . . 6334 1 352 . 1 1 32 32 LEU CA C 13 56.429 0.05 . 1 . . . . . . . . 6334 1 353 . 1 1 32 32 LEU HA H 1 4.201 0.01 . 1 . . . . . . . . 6334 1 354 . 1 1 32 32 LEU C C 13 174.05658 0.05 . 1 . . . . . . . . 6334 1 355 . 1 1 32 32 LEU CB C 13 42.893 0.05 . 1 . . . . . . . . 6334 1 356 . 1 1 32 32 LEU HB2 H 1 1.85 0.01 . 1 . . . . . . . . 6334 1 357 . 1 1 32 32 LEU HB3 H 1 1.477 0.01 . 1 . . . . . . . . 6334 1 358 . 1 1 32 32 LEU CG C 13 27.8122 0.05 . 1 . . . . . . . . 6334 1 359 . 1 1 32 32 LEU CD1 C 13 26.352 0.05 . 1 . . . . . . . . 6334 1 360 . 1 1 32 32 LEU HD11 H 1 1.27 0.01 . 1 . . . . . . . . 6334 1 361 . 1 1 32 32 LEU HD12 H 1 1.27 0.01 . 1 . . . . . . . . 6334 1 362 . 1 1 32 32 LEU HD13 H 1 1.27 0.01 . 1 . . . . . . . . 6334 1 363 . 1 1 32 32 LEU CD2 C 13 26.352 0.05 . 1 . . . . . . . . 6334 1 364 . 1 1 32 32 LEU HD21 H 1 1.11 0.01 . 1 . . . . . . . . 6334 1 365 . 1 1 32 32 LEU HD22 H 1 1.11 0.01 . 1 . . . . . . . . 6334 1 366 . 1 1 32 32 LEU HD23 H 1 1.11 0.01 . 1 . . . . . . . . 6334 1 367 . 1 1 32 32 LEU HG H 1 1.461 0.01 . 1 . . . . . . . . 6334 1 368 . 1 1 33 33 GLN H H 1 8.232 0.01 . 1 . . . . . . . . 6334 1 369 . 1 1 33 33 GLN N N 15 121.7 0.05 . 1 . . . . . . . . 6334 1 370 . 1 1 33 33 GLN CA C 13 52.021 0.05 . 1 . . . . . . . . 6334 1 371 . 1 1 33 33 GLN HA H 1 6.025 0.01 . 1 . . . . . . . . 6334 1 372 . 1 1 33 33 GLN C C 13 176.23805 0.05 . 1 . . . . . . . . 6334 1 373 . 1 1 33 33 GLN CB C 13 31.23 0.05 . 1 . . . . . . . . 6334 1 374 . 1 1 33 33 GLN HB2 H 1 2.27 0.01 . 1 . . . . . . . . 6334 1 375 . 1 1 33 33 GLN HB3 H 1 1.97 0.01 . 1 . . . . . . . . 6334 1 376 . 1 1 33 33 GLN CG C 13 33.169 0.05 . 1 . . . . . . . . 6334 1 377 . 1 1 33 33 GLN HG2 H 1 2.747 0.01 . 1 . . . . . . . . 6334 1 378 . 1 1 33 33 GLN HG3 H 1 2.747 0.01 . 1 . . . . . . . . 6334 1 379 . 1 1 34 34 TYR H H 1 9.318 0.01 . 1 . . . . . . . . 6334 1 380 . 1 1 34 34 TYR N N 15 117.599 0.05 . 1 . . . . . . . . 6334 1 381 . 1 1 34 34 TYR CA C 13 56.688 0.05 . 1 . . . . . . . . 6334 1 382 . 1 1 34 34 TYR HA H 1 5.931 0.01 . 1 . . . . . . . . 6334 1 383 . 1 1 34 34 TYR C C 13 171.43094 0.05 . 1 . . . . . . . . 6334 1 384 . 1 1 34 34 TYR CB C 13 43.429 0.05 . 1 . . . . . . . . 6334 1 385 . 1 1 34 34 TYR HB2 H 1 2.935 0.01 . 1 . . . . . . . . 6334 1 386 . 1 1 34 34 TYR HB3 H 1 2.935 0.01 . 1 . . . . . . . . 6334 1 387 . 1 1 34 34 TYR CD1 C 13 132.445 0.05 . 1 . . . . . . . . 6334 1 388 . 1 1 34 34 TYR HD1 H 1 6 0.01 . 1 . . . . . . . . 6334 1 389 . 1 1 34 34 TYR CD2 C 13 132.445 0.05 . 1 . . . . . . . . 6334 1 390 . 1 1 34 34 TYR HD2 H 1 6 0.01 . 1 . . . . . . . . 6334 1 391 . 1 1 34 34 TYR CE1 C 13 117.24 0.05 . 1 . . . . . . . . 6334 1 392 . 1 1 34 34 TYR HE1 H 1 6.072 0.01 . 1 . . . . . . . . 6334 1 393 . 1 1 34 34 TYR CE2 C 13 117.24 0.05 . 1 . . . . . . . . 6334 1 394 . 1 1 34 34 TYR HE2 H 1 6.072 0.01 . 1 . . . . . . . . 6334 1 395 . 1 1 35 35 LYS H H 1 9.504 0.01 . 1 . . . . . . . . 6334 1 396 . 1 1 35 35 LYS N N 15 119.773 0.05 . 1 . . . . . . . . 6334 1 397 . 1 1 35 35 LYS CA C 13 55.01 0.05 . 1 . . . . . . . . 6334 1 398 . 1 1 35 35 LYS HA H 1 4.654 0.01 . 1 . . . . . . . . 6334 1 399 . 1 1 35 35 LYS C C 13 174.85693 0.05 . 1 . . . . . . . . 6334 1 400 . 1 1 35 35 LYS CB C 13 37.916 0.05 . 1 . . . . . . . . 6334 1 401 . 1 1 35 35 LYS HB2 H 1 1.744 0.01 . 1 . . . . . . . . 6334 1 402 . 1 1 35 35 LYS HB3 H 1 1.685 0.01 . 1 . . . . . . . . 6334 1 403 . 1 1 35 35 LYS CG C 13 25.6528 0.05 . 1 . . . . . . . . 6334 1 404 . 1 1 35 35 LYS HG2 H 1 1.191 0.01 . 1 . . . . . . . . 6334 1 405 . 1 1 35 35 LYS HG3 H 1 1.299 0.01 . 1 . . . . . . . . 6334 1 406 . 1 1 35 35 LYS CD C 13 29.726 0.05 . 1 . . . . . . . . 6334 1 407 . 1 1 35 35 LYS HD2 H 1 1.685 0.01 . 1 . . . . . . . . 6334 1 408 . 1 1 35 35 LYS HD3 H 1 1.685 0.01 . 1 . . . . . . . . 6334 1 409 . 1 1 35 35 LYS CE C 13 42.032 0.05 . 1 . . . . . . . . 6334 1 410 . 1 1 35 35 LYS HE2 H 1 2.965 0.01 . 1 . . . . . . . . 6334 1 411 . 1 1 35 35 LYS HE3 H 1 2.965 0.01 . 1 . . . . . . . . 6334 1 412 . 1 1 36 36 VAL H H 1 8.995 0.01 . 1 . . . . . . . . 6334 1 413 . 1 1 36 36 VAL N N 15 127.718 0.05 . 1 . . . . . . . . 6334 1 414 . 1 1 36 36 VAL CA C 13 64.234 0.05 . 1 . . . . . . . . 6334 1 415 . 1 1 36 36 VAL HA H 1 3.542 0.01 . 1 . . . . . . . . 6334 1 416 . 1 1 36 36 VAL C C 13 176.19603 0.05 . 1 . . . . . . . . 6334 1 417 . 1 1 36 36 VAL CB C 13 31.725 0.05 . 1 . . . . . . . . 6334 1 418 . 1 1 36 36 VAL HB H 1 1.932 0.01 . 1 . . . . . . . . 6334 1 419 . 1 1 36 36 VAL CG1 C 13 20.337 0.05 . 1 . . . . . . . . 6334 1 420 . 1 1 36 36 VAL HG11 H 1 0.446 0.01 . 1 . . . . . . . . 6334 1 421 . 1 1 36 36 VAL HG12 H 1 0.446 0.01 . 1 . . . . . . . . 6334 1 422 . 1 1 36 36 VAL HG13 H 1 0.446 0.01 . 1 . . . . . . . . 6334 1 423 . 1 1 36 36 VAL CG2 C 13 20.337 0.05 . 1 . . . . . . . . 6334 1 424 . 1 1 36 36 VAL HG21 H 1 0.446 0.01 . 1 . . . . . . . . 6334 1 425 . 1 1 36 36 VAL HG22 H 1 0.446 0.01 . 1 . . . . . . . . 6334 1 426 . 1 1 36 36 VAL HG23 H 1 0.446 0.01 . 1 . . . . . . . . 6334 1 427 . 1 1 37 37 ILE H H 1 8.485 0.01 . 1 . . . . . . . . 6334 1 428 . 1 1 37 37 ILE N N 15 129.734 0.05 . 1 . . . . . . . . 6334 1 429 . 1 1 37 37 ILE CA C 13 62.448 0.05 . 1 . . . . . . . . 6334 1 430 . 1 1 37 37 ILE HA H 1 4.208 0.01 . 1 . . . . . . . . 6334 1 431 . 1 1 37 37 ILE C C 13 176.23035 0.05 . 1 . . . . . . . . 6334 1 432 . 1 1 37 37 ILE CB C 13 37.037 0.05 . 1 . . . . . . . . 6334 1 433 . 1 1 37 37 ILE HB H 1 1.744 0.01 . 1 . . . . . . . . 6334 1 434 . 1 1 37 37 ILE CG2 C 13 16.648 0.05 . 1 . . . . . . . . 6334 1 435 . 1 1 37 37 ILE HG21 H 1 0.933 0.01 . 1 . . . . . . . . 6334 1 436 . 1 1 37 37 ILE HG22 H 1 0.933 0.01 . 1 . . . . . . . . 6334 1 437 . 1 1 37 37 ILE HG23 H 1 0.933 0.01 . 1 . . . . . . . . 6334 1 438 . 1 1 37 37 ILE CG1 C 13 27.555 0.05 . 1 . . . . . . . . 6334 1 439 . 1 1 37 37 ILE HG12 H 1 1.461 0.01 . 1 . . . . . . . . 6334 1 440 . 1 1 37 37 ILE HG13 H 1 1.461 0.01 . 1 . . . . . . . . 6334 1 441 . 1 1 37 37 ILE CD1 C 13 11.595 0.05 . 1 . . . . . . . . 6334 1 442 . 1 1 37 37 ILE HD11 H 1 0.789 0.01 . 1 . . . . . . . . 6334 1 443 . 1 1 37 37 ILE HD12 H 1 0.789 0.01 . 1 . . . . . . . . 6334 1 444 . 1 1 37 37 ILE HD13 H 1 0.789 0.01 . 1 . . . . . . . . 6334 1 445 . 1 1 38 38 ASN H H 1 8.695 0.01 . 1 . . . . . . . . 6334 1 446 . 1 1 38 38 ASN N N 15 115.706 0.05 . 1 . . . . . . . . 6334 1 447 . 1 1 38 38 ASN CA C 13 53.502 0.05 . 1 . . . . . . . . 6334 1 448 . 1 1 38 38 ASN HA H 1 5.05 0.01 . 1 . . . . . . . . 6334 1 449 . 1 1 38 38 ASN C C 13 174.26857 0.05 . 1 . . . . . . . . 6334 1 450 . 1 1 38 38 ASN CB C 13 42.568 0.05 . 1 . . . . . . . . 6334 1 451 . 1 1 38 38 ASN HB2 H 1 2.803 0.01 . 1 . . . . . . . . 6334 1 452 . 1 1 38 38 ASN HB3 H 1 2.803 0.01 . 1 . . . . . . . . 6334 1 453 . 1 1 38 38 ASN ND2 N 15 113.038 0.05 . 1 . . . . . . . . 6334 1 454 . 1 1 38 38 ASN HD21 H 1 7.458 0.01 . 1 . . . . . . . . 6334 1 455 . 1 1 38 38 ASN HD22 H 1 6.83 0.01 . 1 . . . . . . . . 6334 1 456 . 1 1 39 39 SER H H 1 9.049 0.01 . 1 . . . . . . . . 6334 1 457 . 1 1 39 39 SER N N 15 121.357 0.05 . 1 . . . . . . . . 6334 1 458 . 1 1 39 39 SER CA C 13 58.648 0.05 . 1 . . . . . . . . 6334 1 459 . 1 1 39 39 SER HA H 1 4.891 0.01 . 1 . . . . . . . . 6334 1 460 . 1 1 39 39 SER C C 13 174.35751 0.05 . 1 . . . . . . . . 6334 1 461 . 1 1 39 39 SER CB C 13 64.32 0.05 . 1 . . . . . . . . 6334 1 462 . 1 1 39 39 SER HB2 H 1 3.964 0.01 . 1 . . . . . . . . 6334 1 463 . 1 1 39 39 SER HB3 H 1 3.964 0.01 . 1 . . . . . . . . 6334 1 464 . 1 1 40 40 GLY H H 1 8.144 0.01 . 1 . . . . . . . . 6334 1 465 . 1 1 40 40 GLY N N 15 112.759 0.05 . 1 . . . . . . . . 6334 1 466 . 1 1 40 40 GLY CA C 13 43.465 0.05 . 1 . . . . . . . . 6334 1 467 . 1 1 40 40 GLY HA2 H 1 4.395 0.01 . 1 . . . . . . . . 6334 1 468 . 1 1 40 40 GLY HA3 H 1 3.537 0.01 . 1 . . . . . . . . 6334 1 469 . 1 1 41 41 ASN H H 1 8.455 0.01 . 1 . . . . . . . . 6334 1 470 . 1 1 41 41 ASN N N 15 115.116 0.05 . 1 . . . . . . . . 6334 1 471 . 1 1 41 41 ASN CA C 13 52.26 0.05 . 1 . . . . . . . . 6334 1 472 . 1 1 41 41 ASN HA H 1 5.041 0.01 . 1 . . . . . . . . 6334 1 473 . 1 1 41 41 ASN C C 13 175.91533 0.05 . 1 . . . . . . . . 6334 1 474 . 1 1 41 41 ASN CB C 13 39.722 0.05 . 1 . . . . . . . . 6334 1 475 . 1 1 41 41 ASN HB2 H 1 2.85 0.01 . 1 . . . . . . . . 6334 1 476 . 1 1 41 41 ASN HB3 H 1 2.85 0.01 . 1 . . . . . . . . 6334 1 477 . 1 1 41 41 ASN ND2 N 15 112.01 0.05 . 1 . . . . . . . . 6334 1 478 . 1 1 41 41 ASN HD21 H 1 7.531 0.01 . 1 . . . . . . . . 6334 1 479 . 1 1 41 41 ASN HD22 H 1 6.83 0.01 . 1 . . . . . . . . 6334 1 480 . 1 1 42 42 GLY H H 1 8.21 0.01 . 1 . . . . . . . . 6334 1 481 . 1 1 42 42 GLY N N 15 108.588 0.05 . 1 . . . . . . . . 6334 1 482 . 1 1 42 42 GLY CA C 13 44.414 0.05 . 1 . . . . . . . . 6334 1 483 . 1 1 42 42 GLY HA2 H 1 4.404 0.01 . 1 . . . . . . . . 6334 1 484 . 1 1 42 42 GLY HA3 H 1 3.777 0.01 . 1 . . . . . . . . 6334 1 485 . 1 1 42 42 GLY C C 13 172.18719 0.05 . 1 . . . . . . . . 6334 1 486 . 1 1 43 43 VAL H H 1 7.991 0.01 . 1 . . . . . . . . 6334 1 487 . 1 1 43 43 VAL N N 15 115.472 0.05 . 1 . . . . . . . . 6334 1 488 . 1 1 43 43 VAL CA C 13 61.682 0.05 . 1 . . . . . . . . 6334 1 489 . 1 1 43 43 VAL HA H 1 4.076 0.01 . 1 . . . . . . . . 6334 1 490 . 1 1 43 43 VAL C C 13 175.354 0.05 . 1 . . . . . . . . 6334 1 491 . 1 1 43 43 VAL CB C 13 32.569 0.05 . 1 . . . . . . . . 6334 1 492 . 1 1 43 43 VAL HB H 1 2.063 0.01 . 1 . . . . . . . . 6334 1 493 . 1 1 43 43 VAL CG1 C 13 21.099 0.05 . 1 . . . . . . . . 6334 1 494 . 1 1 43 43 VAL HG11 H 1 0.933 0.01 . 1 . . . . . . . . 6334 1 495 . 1 1 43 43 VAL HG12 H 1 0.933 0.01 . 1 . . . . . . . . 6334 1 496 . 1 1 43 43 VAL HG13 H 1 0.933 0.01 . 1 . . . . . . . . 6334 1 497 . 1 1 43 43 VAL CG2 C 13 19.615 0.05 . 1 . . . . . . . . 6334 1 498 . 1 1 43 43 VAL HG21 H 1 0.873 0.01 . 1 . . . . . . . . 6334 1 499 . 1 1 43 43 VAL HG22 H 1 0.873 0.01 . 1 . . . . . . . . 6334 1 500 . 1 1 43 43 VAL HG23 H 1 0.873 0.01 . 1 . . . . . . . . 6334 1 501 . 1 1 44 44 LYS H H 1 8.029 0.01 . 1 . . . . . . . . 6334 1 502 . 1 1 44 44 LYS N N 15 122.248 0.05 . 1 . . . . . . . . 6334 1 503 . 1 1 44 44 LYS CA C 13 52.976 0.05 . 1 . . . . . . . . 6334 1 504 . 1 1 44 44 LYS HA H 1 5.077 0.01 . 1 . . . . . . . . 6334 1 505 . 1 1 44 44 LYS CB C 13 32.328 0.05 . 1 . . . . . . . . 6334 1 506 . 1 1 45 45 PRO CA C 13 62.374 0.05 . 1 . . . . . . . . 6334 1 507 . 1 1 45 45 PRO HA H 1 4.46 0.01 . 1 . . . . . . . . 6334 1 508 . 1 1 45 45 PRO C C 13 176.72586 0.05 . 1 . . . . . . . . 6334 1 509 . 1 1 45 45 PRO CB C 13 32.723 0.05 . 1 . . . . . . . . 6334 1 510 . 1 1 45 45 PRO HB2 H 1 1.838 0.01 . 1 . . . . . . . . 6334 1 511 . 1 1 45 45 PRO HB3 H 1 1.838 0.01 . 1 . . . . . . . . 6334 1 512 . 1 1 45 45 PRO CG C 13 28.036 0.05 . 1 . . . . . . . . 6334 1 513 . 1 1 46 46 GLY H H 1 9.393 0.01 . 1 . . . . . . . . 6334 1 514 . 1 1 46 46 GLY N N 15 109.617 0.05 . 1 . . . . . . . . 6334 1 515 . 1 1 46 46 GLY CA C 13 43.162 0.05 . 1 . . . . . . . . 6334 1 516 . 1 1 46 46 GLY HA2 H 1 4.461 0.01 . 1 . . . . . . . . 6334 1 517 . 1 1 46 46 GLY HA3 H 1 3.677 0.01 . 1 . . . . . . . . 6334 1 518 . 1 1 46 46 GLY C C 13 175.26595 0.05 . 1 . . . . . . . . 6334 1 519 . 1 1 47 47 LYS H H 1 8.138 0.01 . 1 . . . . . . . . 6334 1 520 . 1 1 47 47 LYS N N 15 116.995 0.05 . 1 . . . . . . . . 6334 1 521 . 1 1 47 47 LYS CA C 13 59.436 0.05 . 1 . . . . . . . . 6334 1 522 . 1 1 47 47 LYS HA H 1 3.655 0.01 . 1 . . . . . . . . 6334 1 523 . 1 1 47 47 LYS C C 13 176.43272 0.05 . 1 . . . . . . . . 6334 1 524 . 1 1 47 47 LYS CB C 13 32.441 0.05 . 1 . . . . . . . . 6334 1 525 . 1 1 47 47 LYS HB2 H 1 1.754 0.01 . 1 . . . . . . . . 6334 1 526 . 1 1 47 47 LYS HB3 H 1 1.754 0.01 . 1 . . . . . . . . 6334 1 527 . 1 1 47 47 LYS CG C 13 25.229 0.05 . 1 . . . . . . . . 6334 1 528 . 1 1 48 48 SER H H 1 8.243 0.01 . 1 . . . . . . . . 6334 1 529 . 1 1 48 48 SER N N 15 109.911 0.05 . 1 . . . . . . . . 6334 1 530 . 1 1 48 48 SER CA C 13 57.305 0.05 . 1 . . . . . . . . 6334 1 531 . 1 1 48 48 SER HA H 1 4.759 0.01 . 1 . . . . . . . . 6334 1 532 . 1 1 48 48 SER C C 13 174.90251 0.05 . 1 . . . . . . . . 6334 1 533 . 1 1 48 48 SER CB C 13 63.761 0.05 . 1 . . . . . . . . 6334 1 534 . 1 1 48 48 SER HB2 H 1 3.961 0.01 . 1 . . . . . . . . 6334 1 535 . 1 1 48 48 SER HB3 H 1 3.961 0.01 . 1 . . . . . . . . 6334 1 536 . 1 1 49 49 ASP H H 1 7.242 0.01 . 1 . . . . . . . . 6334 1 537 . 1 1 49 49 ASP N N 15 122.261 0.05 . 1 . . . . . . . . 6334 1 538 . 1 1 49 49 ASP CA C 13 55.063 0.05 . 1 . . . . . . . . 6334 1 539 . 1 1 49 49 ASP HA H 1 5.044 0.01 . 1 . . . . . . . . 6334 1 540 . 1 1 49 49 ASP C C 13 174.72424 0.05 . 1 . . . . . . . . 6334 1 541 . 1 1 49 49 ASP CB C 13 42.038 0.05 . 1 . . . . . . . . 6334 1 542 . 1 1 49 49 ASP HB2 H 1 3.911 0.01 . 1 . . . . . . . . 6334 1 543 . 1 1 49 49 ASP HB3 H 1 3.911 0.01 . 1 . . . . . . . . 6334 1 544 . 1 1 50 50 THR H H 1 8.422 0.01 . 1 . . . . . . . . 6334 1 545 . 1 1 50 50 THR N N 15 116.112 0.05 . 1 . . . . . . . . 6334 1 546 . 1 1 50 50 THR CA C 13 62.292 0.05 . 1 . . . . . . . . 6334 1 547 . 1 1 50 50 THR HA H 1 5.044 0.01 . 1 . . . . . . . . 6334 1 548 . 1 1 50 50 THR C C 13 173.84685 0.05 . 1 . . . . . . . . 6334 1 549 . 1 1 50 50 THR CB C 13 70.744 0.05 . 1 . . . . . . . . 6334 1 550 . 1 1 50 50 THR HB H 1 3.911 0.01 . 1 . . . . . . . . 6334 1 551 . 1 1 50 50 THR CG2 C 13 21.72 0.05 . 1 . . . . . . . . 6334 1 552 . 1 1 50 50 THR HG21 H 1 1.039 0.01 . 1 . . . . . . . . 6334 1 553 . 1 1 50 50 THR HG22 H 1 1.039 0.01 . 1 . . . . . . . . 6334 1 554 . 1 1 50 50 THR HG23 H 1 1.039 0.01 . 1 . . . . . . . . 6334 1 555 . 1 1 51 51 VAL H H 1 9.218 0.01 . 1 . . . . . . . . 6334 1 556 . 1 1 51 51 VAL N N 15 118.27 0.05 . 1 . . . . . . . . 6334 1 557 . 1 1 51 51 VAL CA C 13 58.123 0.05 . 1 . . . . . . . . 6334 1 558 . 1 1 51 51 VAL HA H 1 5.187 0.01 . 1 . . . . . . . . 6334 1 559 . 1 1 51 51 VAL C C 13 173.83543 0.05 . 1 . . . . . . . . 6334 1 560 . 1 1 51 51 VAL CB C 13 34.551 0.05 . 1 . . . . . . . . 6334 1 561 . 1 1 51 51 VAL HB H 1 1.973 0.01 . 1 . . . . . . . . 6334 1 562 . 1 1 51 51 VAL CG1 C 13 18.572 0.05 . 1 . . . . . . . . 6334 1 563 . 1 1 51 51 VAL HG11 H 1 0.67 0.01 . 1 . . . . . . . . 6334 1 564 . 1 1 51 51 VAL HG12 H 1 0.67 0.01 . 1 . . . . . . . . 6334 1 565 . 1 1 51 51 VAL HG13 H 1 0.67 0.01 . 1 . . . . . . . . 6334 1 566 . 1 1 51 51 VAL CG2 C 13 18.572 0.05 . 1 . . . . . . . . 6334 1 567 . 1 1 51 51 VAL HG21 H 1 0.67 0.01 . 1 . . . . . . . . 6334 1 568 . 1 1 51 51 VAL HG22 H 1 0.67 0.01 . 1 . . . . . . . . 6334 1 569 . 1 1 51 51 VAL HG23 H 1 0.67 0.01 . 1 . . . . . . . . 6334 1 570 . 1 1 52 52 THR H H 1 8.123 0.01 . 1 . . . . . . . . 6334 1 571 . 1 1 52 52 THR N N 15 117.437 0.05 . 1 . . . . . . . . 6334 1 572 . 1 1 52 52 THR CA C 13 61.535 0.05 . 1 . . . . . . . . 6334 1 573 . 1 1 52 52 THR HA H 1 5.374 0.01 . 1 . . . . . . . . 6334 1 574 . 1 1 52 52 THR C C 13 174.90596 0.05 . 1 . . . . . . . . 6334 1 575 . 1 1 52 52 THR CB C 13 70.076 0.05 . 1 . . . . . . . . 6334 1 576 . 1 1 52 52 THR HB H 1 3.856 0.01 . 1 . . . . . . . . 6334 1 577 . 1 1 52 52 THR CG2 C 13 22.0648 0.05 . 1 . . . . . . . . 6334 1 578 . 1 1 52 52 THR HG21 H 1 1.046 0.01 . 1 . . . . . . . . 6334 1 579 . 1 1 52 52 THR HG22 H 1 1.046 0.01 . 1 . . . . . . . . 6334 1 580 . 1 1 52 52 THR HG23 H 1 1.046 0.01 . 1 . . . . . . . . 6334 1 581 . 1 1 53 53 VAL H H 1 9.536 0.01 . 1 . . . . . . . . 6334 1 582 . 1 1 53 53 VAL N N 15 118.834 0.05 . 1 . . . . . . . . 6334 1 583 . 1 1 53 53 VAL CA C 13 58.465 0.05 . 1 . . . . . . . . 6334 1 584 . 1 1 53 53 VAL HA H 1 5.475 0.01 . 1 . . . . . . . . 6334 1 585 . 1 1 53 53 VAL C C 13 174.94904 0.05 . 1 . . . . . . . . 6334 1 586 . 1 1 53 53 VAL CB C 13 36.142 0.05 . 1 . . . . . . . . 6334 1 587 . 1 1 53 53 VAL HB H 1 2.188 0.01 . 1 . . . . . . . . 6334 1 588 . 1 1 53 53 VAL CG1 C 13 22.343 0.05 . 1 . . . . . . . . 6334 1 589 . 1 1 53 53 VAL HG11 H 1 0.795 0.01 . 1 . . . . . . . . 6334 1 590 . 1 1 53 53 VAL HG12 H 1 0.795 0.01 . 1 . . . . . . . . 6334 1 591 . 1 1 53 53 VAL HG13 H 1 0.795 0.01 . 1 . . . . . . . . 6334 1 592 . 1 1 53 53 VAL CG2 C 13 20.417 0.05 . 1 . . . . . . . . 6334 1 593 . 1 1 53 53 VAL HG21 H 1 1.126 0.01 . 1 . . . . . . . . 6334 1 594 . 1 1 53 53 VAL HG22 H 1 1.126 0.01 . 1 . . . . . . . . 6334 1 595 . 1 1 53 53 VAL HG23 H 1 1.126 0.01 . 1 . . . . . . . . 6334 1 596 . 1 1 54 54 GLU H H 1 8.679 0.01 . 1 . . . . . . . . 6334 1 597 . 1 1 54 54 GLU N N 15 119.855 0.05 . 1 . . . . . . . . 6334 1 598 . 1 1 54 54 GLU CA C 13 54.873 0.05 . 1 . . . . . . . . 6334 1 599 . 1 1 54 54 GLU HA H 1 5.007 0.01 . 1 . . . . . . . . 6334 1 600 . 1 1 54 54 GLU C C 13 175.86465 0.05 . 1 . . . . . . . . 6334 1 601 . 1 1 54 54 GLU CB C 13 32.925 0.05 . 1 . . . . . . . . 6334 1 602 . 1 1 54 54 GLU HB2 H 1 2.006 0.01 . 1 . . . . . . . . 6334 1 603 . 1 1 54 54 GLU HB3 H 1 2.006 0.01 . 1 . . . . . . . . 6334 1 604 . 1 1 54 54 GLU CG C 13 37.019 0.05 . 1 . . . . . . . . 6334 1 605 . 1 1 54 54 GLU HG2 H 1 2.556 0.01 . 1 . . . . . . . . 6334 1 606 . 1 1 54 54 GLU HG3 H 1 2.345 0.01 . 1 . . . . . . . . 6334 1 607 . 1 1 55 55 TYR H H 1 8.795 0.01 . 1 . . . . . . . . 6334 1 608 . 1 1 55 55 TYR N N 15 119.472 0.05 . 1 . . . . . . . . 6334 1 609 . 1 1 55 55 TYR CA C 13 56.987 0.05 . 1 . . . . . . . . 6334 1 610 . 1 1 55 55 TYR HA H 1 6.034 0.01 . 1 . . . . . . . . 6334 1 611 . 1 1 55 55 TYR C C 13 173.50824 0.05 . 1 . . . . . . . . 6334 1 612 . 1 1 55 55 TYR CB C 13 42.592 0.05 . 1 . . . . . . . . 6334 1 613 . 1 1 55 55 TYR HB2 H 1 3.064 0.01 . 1 . . . . . . . . 6334 1 614 . 1 1 55 55 TYR CD1 C 13 133 0.05 . 1 . . . . . . . . 6334 1 615 . 1 1 55 55 TYR HD1 H 1 7.017 0.01 . 1 . . . . . . . . 6334 1 616 . 1 1 55 55 TYR CD2 C 13 133 0.05 . 1 . . . . . . . . 6334 1 617 . 1 1 55 55 TYR HD2 H 1 7.017 0.01 . 1 . . . . . . . . 6334 1 618 . 1 1 55 55 TYR CE1 C 13 118.114 0.05 . 1 . . . . . . . . 6334 1 619 . 1 1 55 55 TYR HE1 H 1 6.866 0.01 . 1 . . . . . . . . 6334 1 620 . 1 1 55 55 TYR CE2 C 13 118.114 0.05 . 1 . . . . . . . . 6334 1 621 . 1 1 55 55 TYR HE2 H 1 6.866 0.01 . 1 . . . . . . . . 6334 1 622 . 1 1 56 56 THR H H 1 8.682 0.01 . 1 . . . . . . . . 6334 1 623 . 1 1 56 56 THR N N 15 114.419 0.05 . 1 . . . . . . . . 6334 1 624 . 1 1 56 56 THR CA C 13 62.741 0.05 . 1 . . . . . . . . 6334 1 625 . 1 1 56 56 THR HA H 1 4.652 0.01 . 1 . . . . . . . . 6334 1 626 . 1 1 56 56 THR C C 13 173.57364 0.05 . 1 . . . . . . . . 6334 1 627 . 1 1 56 56 THR CB C 13 72.67 0.05 . 1 . . . . . . . . 6334 1 628 . 1 1 56 56 THR HB H 1 3.987 0.01 . 1 . . . . . . . . 6334 1 629 . 1 1 56 56 THR CG2 C 13 22.823 0.05 . 1 . . . . . . . . 6334 1 630 . 1 1 56 56 THR HG21 H 1 1.263 0.01 . 1 . . . . . . . . 6334 1 631 . 1 1 56 56 THR HG22 H 1 1.263 0.01 . 1 . . . . . . . . 6334 1 632 . 1 1 56 56 THR HG23 H 1 1.263 0.01 . 1 . . . . . . . . 6334 1 633 . 1 1 57 57 GLY H H 1 9.376 0.01 . 1 . . . . . . . . 6334 1 634 . 1 1 57 57 GLY N N 15 116.581 0.05 . 1 . . . . . . . . 6334 1 635 . 1 1 57 57 GLY CA C 13 45.544 0.05 . 1 . . . . . . . . 6334 1 636 . 1 1 57 57 GLY HA2 H 1 4.754 0.01 . 1 . . . . . . . . 6334 1 637 . 1 1 57 57 GLY HA3 H 1 2.517 0.01 . 1 . . . . . . . . 6334 1 638 . 1 1 57 57 GLY C C 13 170.54054 0.05 . 1 . . . . . . . . 6334 1 639 . 1 1 58 58 ARG H H 1 9.54 0.01 . 1 . . . . . . . . 6334 1 640 . 1 1 58 58 ARG N N 15 125.039 0.05 . 1 . . . . . . . . 6334 1 641 . 1 1 58 58 ARG CA C 13 53.507 0.05 . 1 . . . . . . . . 6334 1 642 . 1 1 58 58 ARG HA H 1 5.506 0.01 . 1 . . . . . . . . 6334 1 643 . 1 1 58 58 ARG C C 13 174.60558 0.05 . 1 . . . . . . . . 6334 1 644 . 1 1 58 58 ARG CB C 13 35.286 0.05 . 1 . . . . . . . . 6334 1 645 . 1 1 58 58 ARG HB2 H 1 1.422 0.01 . 1 . . . . . . . . 6334 1 646 . 1 1 58 58 ARG HB3 H 1 1.422 0.01 . 1 . . . . . . . . 6334 1 647 . 1 1 58 58 ARG CG C 13 27.798 0.05 . 1 . . . . . . . . 6334 1 648 . 1 1 58 58 ARG HG2 H 1 1.356 0.01 . 1 . . . . . . . . 6334 1 649 . 1 1 58 58 ARG HG3 H 1 1.448 0.01 . 1 . . . . . . . . 6334 1 650 . 1 1 58 58 ARG CD C 13 44.219 0.05 . 1 . . . . . . . . 6334 1 651 . 1 1 58 58 ARG HD2 H 1 2.912 0.01 . 1 . . . . . . . . 6334 1 652 . 1 1 58 58 ARG HD3 H 1 3.091 0.01 . 1 . . . . . . . . 6334 1 653 . 1 1 59 59 LEU H H 1 8.42 0.01 . 1 . . . . . . . . 6334 1 654 . 1 1 59 59 LEU N N 15 118.343 0.05 . 1 . . . . . . . . 6334 1 655 . 1 1 59 59 LEU CA C 13 52.964 0.05 . 1 . . . . . . . . 6334 1 656 . 1 1 59 59 LEU HA H 1 4.792 0.01 . 1 . . . . . . . . 6334 1 657 . 1 1 59 59 LEU CB C 13 41.938 0.05 . 1 . . . . . . . . 6334 1 658 . 1 1 59 59 LEU HB2 H 1 1.954 0.01 . 1 . . . . . . . . 6334 1 659 . 1 1 59 59 LEU HB3 H 1 1.954 0.01 . 1 . . . . . . . . 6334 1 660 . 1 1 60 60 ILE H H 1 9.476 0.01 . 1 . . . . . . . . 6334 1 661 . 1 1 60 60 ILE N N 15 119.432 0.05 . 1 . . . . . . . . 6334 1 662 . 1 1 60 60 ILE CA C 13 65.291 0.05 . 1 . . . . . . . . 6334 1 663 . 1 1 60 60 ILE HA H 1 3.343 0.01 . 1 . . . . . . . . 6334 1 664 . 1 1 60 60 ILE C C 13 177.16968 0.05 . 1 . . . . . . . . 6334 1 665 . 1 1 60 60 ILE CB C 13 41.918 0.05 . 1 . . . . . . . . 6334 1 666 . 1 1 60 60 ILE HB H 1 1.563 0.01 . 1 . . . . . . . . 6334 1 667 . 1 1 60 60 ILE CG2 C 13 17.4162 0.05 . 1 . . . . . . . . 6334 1 668 . 1 1 60 60 ILE HG21 H 1 0.548 0.01 . 1 . . . . . . . . 6334 1 669 . 1 1 60 60 ILE HG22 H 1 0.548 0.01 . 1 . . . . . . . . 6334 1 670 . 1 1 60 60 ILE HG23 H 1 0.548 0.01 . 1 . . . . . . . . 6334 1 671 . 1 1 60 60 ILE CG1 C 13 15.502 0.05 . 1 . . . . . . . . 6334 1 672 . 1 1 60 60 ILE HG12 H 1 0.809 0.01 . 1 . . . . . . . . 6334 1 673 . 1 1 60 60 ILE HG13 H 1 0.809 0.01 . 1 . . . . . . . . 6334 1 674 . 1 1 60 60 ILE CD1 C 13 17.4162 0.05 . 1 . . . . . . . . 6334 1 675 . 1 1 60 60 ILE HD11 H 1 0.548 0.01 . 1 . . . . . . . . 6334 1 676 . 1 1 60 60 ILE HD12 H 1 0.548 0.01 . 1 . . . . . . . . 6334 1 677 . 1 1 60 60 ILE HD13 H 1 0.548 0.01 . 1 . . . . . . . . 6334 1 678 . 1 1 61 61 ASP H H 1 7.554 0.01 . 1 . . . . . . . . 6334 1 679 . 1 1 61 61 ASP N N 15 116.748 0.05 . 1 . . . . . . . . 6334 1 680 . 1 1 61 61 ASP CA C 13 53.561 0.05 . 1 . . . . . . . . 6334 1 681 . 1 1 61 61 ASP HA H 1 4.448 0.01 . 1 . . . . . . . . 6334 1 682 . 1 1 61 61 ASP C C 13 177.0471 0.05 . 1 . . . . . . . . 6334 1 683 . 1 1 61 61 ASP CB C 13 39.955 0.05 . 1 . . . . . . . . 6334 1 684 . 1 1 61 61 ASP HB2 H 1 3.081 0.01 . 1 . . . . . . . . 6334 1 685 . 1 1 61 61 ASP HB3 H 1 3.081 0.01 . 1 . . . . . . . . 6334 1 686 . 1 1 62 62 GLY H H 1 8.055 0.01 . 1 . . . . . . . . 6334 1 687 . 1 1 62 62 GLY N N 15 108.65 0.05 . 1 . . . . . . . . 6334 1 688 . 1 1 62 62 GLY CA C 13 44.803 0.05 . 1 . . . . . . . . 6334 1 689 . 1 1 62 62 GLY HA2 H 1 4.44 0.01 . 1 . . . . . . . . 6334 1 690 . 1 1 62 62 GLY HA3 H 1 3.574 0.01 . 1 . . . . . . . . 6334 1 691 . 1 1 62 62 GLY C C 13 174.65828 0.05 . 1 . . . . . . . . 6334 1 692 . 1 1 63 63 THR H H 1 8.19 0.01 . 1 . . . . . . . . 6334 1 693 . 1 1 63 63 THR N N 15 118.926 0.05 . 1 . . . . . . . . 6334 1 694 . 1 1 63 63 THR CA C 13 64.752 0.05 . 1 . . . . . . . . 6334 1 695 . 1 1 63 63 THR HA H 1 4.063 0.01 . 1 . . . . . . . . 6334 1 696 . 1 1 63 63 THR C C 13 174.21678 0.05 . 1 . . . . . . . . 6334 1 697 . 1 1 63 63 THR CB C 13 69.147 0.05 . 1 . . . . . . . . 6334 1 698 . 1 1 63 63 THR HB H 1 3.843 0.01 . 1 . . . . . . . . 6334 1 699 . 1 1 63 63 THR CG2 C 13 20.497 0.05 . 1 . . . . . . . . 6334 1 700 . 1 1 63 63 THR HG21 H 1 1.153 0.01 . 1 . . . . . . . . 6334 1 701 . 1 1 63 63 THR HG22 H 1 1.153 0.01 . 1 . . . . . . . . 6334 1 702 . 1 1 63 63 THR HG23 H 1 1.153 0.01 . 1 . . . . . . . . 6334 1 703 . 1 1 64 64 VAL H H 1 8.845 0.01 . 1 . . . . . . . . 6334 1 704 . 1 1 64 64 VAL N N 15 129.783 0.05 . 1 . . . . . . . . 6334 1 705 . 1 1 64 64 VAL CA C 13 62.655 0.05 . 1 . . . . . . . . 6334 1 706 . 1 1 64 64 VAL HA H 1 4.32 0.01 . 1 . . . . . . . . 6334 1 707 . 1 1 64 64 VAL C C 13 176.5182 0.05 . 1 . . . . . . . . 6334 1 708 . 1 1 64 64 VAL CB C 13 32.232 0.05 . 1 . . . . . . . . 6334 1 709 . 1 1 64 64 VAL HB H 1 2.017 0.01 . 1 . . . . . . . . 6334 1 710 . 1 1 64 64 VAL CG1 C 13 21.38 0.05 . 1 . . . . . . . . 6334 1 711 . 1 1 64 64 VAL HG11 H 1 1.2445 0.01 . 1 . . . . . . . . 6334 1 712 . 1 1 64 64 VAL HG12 H 1 1.2445 0.01 . 1 . . . . . . . . 6334 1 713 . 1 1 64 64 VAL HG13 H 1 1.2445 0.01 . 1 . . . . . . . . 6334 1 714 . 1 1 64 64 VAL CG2 C 13 21.38 0.05 . 1 . . . . . . . . 6334 1 715 . 1 1 64 64 VAL HG21 H 1 0.906 0.01 . 1 . . . . . . . . 6334 1 716 . 1 1 64 64 VAL HG22 H 1 0.906 0.01 . 1 . . . . . . . . 6334 1 717 . 1 1 64 64 VAL HG23 H 1 0.906 0.01 . 1 . . . . . . . . 6334 1 718 . 1 1 65 65 PHE H H 1 8.206 0.01 . 1 . . . . . . . . 6334 1 719 . 1 1 65 65 PHE N N 15 124.051 0.05 . 1 . . . . . . . . 6334 1 720 . 1 1 65 65 PHE CA C 13 55.93 0.05 . 1 . . . . . . . . 6334 1 721 . 1 1 65 65 PHE HA H 1 5.072 0.01 . 1 . . . . . . . . 6334 1 722 . 1 1 65 65 PHE C C 13 174.5551 0.05 . 1 . . . . . . . . 6334 1 723 . 1 1 65 65 PHE CB C 13 40.824 0.05 . 1 . . . . . . . . 6334 1 724 . 1 1 65 65 PHE HB2 H 1 3.41 0.01 . 1 . . . . . . . . 6334 1 725 . 1 1 65 65 PHE HB3 H 1 2.493 0.01 . 1 . . . . . . . . 6334 1 726 . 1 1 65 65 PHE CD1 C 13 132.595 0.05 . 1 . . . . . . . . 6334 1 727 . 1 1 65 65 PHE HD1 H 1 7.061 0.01 . 2 . . . . . . . . 6334 1 728 . 1 1 65 65 PHE CD2 C 13 132.595 0.05 . 1 . . . . . . . . 6334 1 729 . 1 1 65 65 PHE HD2 H 1 7.352 0.01 . 2 . . . . . . . . 6334 1 730 . 1 1 65 65 PHE CE1 C 13 131.53 0.05 . 1 . . . . . . . . 6334 1 731 . 1 1 65 65 PHE HE1 H 1 7.352 0.01 . 2 . . . . . . . . 6334 1 732 . 1 1 65 65 PHE CE2 C 13 131.53 0.05 . 1 . . . . . . . . 6334 1 733 . 1 1 65 65 PHE HE2 H 1 7.061 0.01 . 2 . . . . . . . . 6334 1 734 . 1 1 65 65 PHE CZ C 13 130.544 0.05 . 1 . . . . . . . . 6334 1 735 . 1 1 65 65 PHE HZ H 1 6.831 0.01 . 1 . . . . . . . . 6334 1 736 . 1 1 66 66 ASP H H 1 6.948 0.01 . 1 . . . . . . . . 6334 1 737 . 1 1 66 66 ASP N N 15 120.44 0.05 . 1 . . . . . . . . 6334 1 738 . 1 1 66 66 ASP CA C 13 54.682 0.05 . 1 . . . . . . . . 6334 1 739 . 1 1 66 66 ASP HA H 1 4.884 0.01 . 1 . . . . . . . . 6334 1 740 . 1 1 66 66 ASP C C 13 174.19629 0.05 . 1 . . . . . . . . 6334 1 741 . 1 1 66 66 ASP CB C 13 44.067 0.05 . 1 . . . . . . . . 6334 1 742 . 1 1 66 66 ASP HB2 H 1 3.338 0.01 . 1 . . . . . . . . 6334 1 743 . 1 1 66 66 ASP HB3 H 1 2.479 0.01 . 1 . . . . . . . . 6334 1 744 . 1 1 67 67 SER H H 1 8.228 0.01 . 1 . . . . . . . . 6334 1 745 . 1 1 67 67 SER N N 15 116.903 0.05 . 1 . . . . . . . . 6334 1 746 . 1 1 67 67 SER CA C 13 56.871 0.05 . 1 . . . . . . . . 6334 1 747 . 1 1 67 67 SER HA H 1 4.848 0.01 . 1 . . . . . . . . 6334 1 748 . 1 1 67 67 SER C C 13 175.2049 0.05 . 1 . . . . . . . . 6334 1 749 . 1 1 67 67 SER CB C 13 64.617 0.05 . 1 . . . . . . . . 6334 1 750 . 1 1 67 67 SER HB2 H 1 4.263 0.01 . 1 . . . . . . . . 6334 1 751 . 1 1 67 67 SER HB3 H 1 3.962 0.01 . 1 . . . . . . . . 6334 1 752 . 1 1 68 68 THR H H 1 8.693 0.01 . 1 . . . . . . . . 6334 1 753 . 1 1 68 68 THR N N 15 117.098 0.05 . 1 . . . . . . . . 6334 1 754 . 1 1 68 68 THR CA C 13 68.344 0.05 . 1 . . . . . . . . 6334 1 755 . 1 1 68 68 THR HA H 1 4.407 0.01 . 1 . . . . . . . . 6334 1 756 . 1 1 68 68 THR C C 13 176.93398 0.05 . 1 . . . . . . . . 6334 1 757 . 1 1 68 68 THR CB C 13 63.609 0.05 . 1 . . . . . . . . 6334 1 758 . 1 1 68 68 THR HB H 1 4.645 0.01 . 1 . . . . . . . . 6334 1 759 . 1 1 68 68 THR CG2 C 13 24.427 0.05 . 1 . . . . . . . . 6334 1 760 . 1 1 68 68 THR HG21 H 1 1.351 0.01 . 1 . . . . . . . . 6334 1 761 . 1 1 68 68 THR HG22 H 1 1.351 0.01 . 1 . . . . . . . . 6334 1 762 . 1 1 68 68 THR HG23 H 1 1.351 0.01 . 1 . . . . . . . . 6334 1 763 . 1 1 69 69 GLU H H 1 8.516 0.01 . 1 . . . . . . . . 6334 1 764 . 1 1 69 69 GLU N N 15 123.168 0.05 . 1 . . . . . . . . 6334 1 765 . 1 1 69 69 GLU CA C 13 58.716 0.05 . 1 . . . . . . . . 6334 1 766 . 1 1 69 69 GLU HA H 1 4.024 0.01 . 1 . . . . . . . . 6334 1 767 . 1 1 69 69 GLU C C 13 178.15234 0.05 . 1 . . . . . . . . 6334 1 768 . 1 1 69 69 GLU CB C 13 29.504 0.05 . 1 . . . . . . . . 6334 1 769 . 1 1 69 69 GLU HB2 H 1 1.959 0.01 . 1 . . . . . . . . 6334 1 770 . 1 1 69 69 GLU HB3 H 1 1.959 0.01 . 1 . . . . . . . . 6334 1 771 . 1 1 69 69 GLU CG C 13 36.458 0.05 . 1 . . . . . . . . 6334 1 772 . 1 1 69 69 GLU HG2 H 1 2.152 0.01 . 1 . . . . . . . . 6334 1 773 . 1 1 69 69 GLU HG3 H 1 2.265 0.01 . 1 . . . . . . . . 6334 1 774 . 1 1 70 70 LYS H H 1 7.531 0.01 . 1 . . . . . . . . 6334 1 775 . 1 1 70 70 LYS N N 15 117.357 0.05 . 1 . . . . . . . . 6334 1 776 . 1 1 70 70 LYS CA C 13 58.62 0.05 . 1 . . . . . . . . 6334 1 777 . 1 1 70 70 LYS HA H 1 4.133 0.01 . 1 . . . . . . . . 6334 1 778 . 1 1 70 70 LYS C C 13 178.01584 0.05 . 1 . . . . . . . . 6334 1 779 . 1 1 70 70 LYS CB C 13 32.097 0.05 . 1 . . . . . . . . 6334 1 780 . 1 1 70 70 LYS HB2 H 1 1.98 0.01 . 1 . . . . . . . . 6334 1 781 . 1 1 70 70 LYS HB3 H 1 1.98 0.01 . 1 . . . . . . . . 6334 1 782 . 1 1 70 70 LYS CG C 13 24.989 0.05 . 1 . . . . . . . . 6334 1 783 . 1 1 70 70 LYS HG2 H 1 1.497 0.01 . 1 . . . . . . . . 6334 1 784 . 1 1 70 70 LYS HG3 H 1 1.497 0.01 . 1 . . . . . . . . 6334 1 785 . 1 1 70 70 LYS CD C 13 28.437 0.05 . 1 . . . . . . . . 6334 1 786 . 1 1 70 70 LYS HD2 H 1 1.763 0.01 . 1 . . . . . . . . 6334 1 787 . 1 1 70 70 LYS HD3 H 1 1.763 0.01 . 1 . . . . . . . . 6334 1 788 . 1 1 70 70 LYS CE C 13 42.032 0.05 . 1 . . . . . . . . 6334 1 789 . 1 1 70 70 LYS HE2 H 1 3.014 0.01 . 1 . . . . . . . . 6334 1 790 . 1 1 70 70 LYS HE3 H 1 3.014 0.01 . 1 . . . . . . . . 6334 1 791 . 1 1 71 71 THR H H 1 7.568 0.01 . 1 . . . . . . . . 6334 1 792 . 1 1 71 71 THR N N 15 107.764 0.05 . 1 . . . . . . . . 6334 1 793 . 1 1 71 71 THR CA C 13 69.339 0.05 . 1 . . . . . . . . 6334 1 794 . 1 1 71 71 THR HA H 1 4.394 0.01 . 1 . . . . . . . . 6334 1 795 . 1 1 71 71 THR C C 13 176.46736 0.05 . 1 . . . . . . . . 6334 1 796 . 1 1 71 71 THR CB C 13 62.339 0.05 . 1 . . . . . . . . 6334 1 797 . 1 1 71 71 THR HB H 1 4.394 0.01 . 1 . . . . . . . . 6334 1 798 . 1 1 71 71 THR CG2 C 13 21.791 0.05 . 1 . . . . . . . . 6334 1 799 . 1 1 71 71 THR HG21 H 1 1.312 0.01 . 1 . . . . . . . . 6334 1 800 . 1 1 71 71 THR HG22 H 1 1.312 0.01 . 1 . . . . . . . . 6334 1 801 . 1 1 71 71 THR HG23 H 1 1.312 0.01 . 1 . . . . . . . . 6334 1 802 . 1 1 72 72 GLY H H 1 8.089 0.01 . 1 . . . . . . . . 6334 1 803 . 1 1 72 72 GLY N N 15 110.077 0.05 . 1 . . . . . . . . 6334 1 804 . 1 1 72 72 GLY CA C 13 45.778 0.05 . 1 . . . . . . . . 6334 1 805 . 1 1 72 72 GLY HA2 H 1 4.135 0.01 . 1 . . . . . . . . 6334 1 806 . 1 1 72 72 GLY HA3 H 1 3.797 0.01 . 1 . . . . . . . . 6334 1 807 . 1 1 72 72 GLY C C 13 173.34258 0.05 . 1 . . . . . . . . 6334 1 808 . 1 1 73 73 LYS H H 1 7.712 0.01 . 1 . . . . . . . . 6334 1 809 . 1 1 73 73 LYS N N 15 119.591 0.05 . 1 . . . . . . . . 6334 1 810 . 1 1 73 73 LYS CA C 13 53.247 0.05 . 1 . . . . . . . . 6334 1 811 . 1 1 73 73 LYS HA H 1 4.868 0.01 . 1 . . . . . . . . 6334 1 812 . 1 1 73 73 LYS CB C 13 33.903 0.05 . 1 . . . . . . . . 6334 1 813 . 1 1 73 73 LYS HB2 H 1 1.859 0.01 . 1 . . . . . . . . 6334 1 814 . 1 1 73 73 LYS HB3 H 1 1.658 0.01 . 1 . . . . . . . . 6334 1 815 . 1 1 73 73 LYS CG C 13 29.4929 0.05 . 1 . . . . . . . . 6334 1 816 . 1 1 73 73 LYS HG2 H 1 1.71 0.01 . 1 . . . . . . . . 6334 1 817 . 1 1 73 73 LYS HG3 H 1 1.71 0.01 . 1 . . . . . . . . 6334 1 818 . 1 1 73 73 LYS CD C 13 23.979 0.05 . 1 . . . . . . . . 6334 1 819 . 1 1 73 73 LYS HD2 H 1 1.41 0.01 . 1 . . . . . . . . 6334 1 820 . 1 1 73 73 LYS HD3 H 1 1.41 0.01 . 1 . . . . . . . . 6334 1 821 . 1 1 73 73 LYS CE C 13 42.306 0.05 . 1 . . . . . . . . 6334 1 822 . 1 1 73 73 LYS HE2 H 1 3.012 0.01 . 1 . . . . . . . . 6334 1 823 . 1 1 73 73 LYS HE3 H 1 3.012 0.01 . 1 . . . . . . . . 6334 1 824 . 1 1 74 74 PRO CA C 13 62.651 0.05 . 1 . . . . . . . . 6334 1 825 . 1 1 74 74 PRO HA H 1 4.516 0.01 . 1 . . . . . . . . 6334 1 826 . 1 1 74 74 PRO C C 13 175.29884 0.05 . 1 . . . . . . . . 6334 1 827 . 1 1 74 74 PRO CB C 13 32.864 0.05 . 1 . . . . . . . . 6334 1 828 . 1 1 74 74 PRO HB2 H 1 2.024 0.01 . 1 . . . . . . . . 6334 1 829 . 1 1 74 74 PRO HB3 H 1 1.68 0.01 . 1 . . . . . . . . 6334 1 830 . 1 1 74 74 PRO CG C 13 26.914 0.05 . 1 . . . . . . . . 6334 1 831 . 1 1 74 74 PRO HG2 H 1 1.85 0.01 . 1 . . . . . . . . 6334 1 832 . 1 1 74 74 PRO HG3 H 1 1.85 0.01 . 1 . . . . . . . . 6334 1 833 . 1 1 74 74 PRO CD C 13 50.5086 0.05 . 1 . . . . . . . . 6334 1 834 . 1 1 74 74 PRO HD2 H 1 3.555 0.01 . 1 . . . . . . . . 6334 1 835 . 1 1 74 74 PRO HD3 H 1 3.856 0.01 . 1 . . . . . . . . 6334 1 836 . 1 1 75 75 ALA H H 1 8.915 0.01 . 1 . . . . . . . . 6334 1 837 . 1 1 75 75 ALA N N 15 124.932 0.05 . 1 . . . . . . . . 6334 1 838 . 1 1 75 75 ALA CA C 13 50.822 0.05 . 1 . . . . . . . . 6334 1 839 . 1 1 75 75 ALA HA H 1 4.775 0.01 . 1 . . . . . . . . 6334 1 840 . 1 1 75 75 ALA C C 13 175.82207 0.05 . 1 . . . . . . . . 6334 1 841 . 1 1 75 75 ALA CB C 13 22.913 0.05 . 1 . . . . . . . . 6334 1 842 . 1 1 75 75 ALA HB1 H 1 1.534 0.01 . 1 . . . . . . . . 6334 1 843 . 1 1 75 75 ALA HB2 H 1 1.534 0.01 . 1 . . . . . . . . 6334 1 844 . 1 1 75 75 ALA HB3 H 1 1.534 0.01 . 1 . . . . . . . . 6334 1 845 . 1 1 76 76 THR H H 1 8.155 0.01 . 1 . . . . . . . . 6334 1 846 . 1 1 76 76 THR N N 15 116.502 0.05 . 1 . . . . . . . . 6334 1 847 . 1 1 76 76 THR CA C 13 60.73 0.05 . 1 . . . . . . . . 6334 1 848 . 1 1 76 76 THR HA H 1 5.579 0.01 . 1 . . . . . . . . 6334 1 849 . 1 1 76 76 THR C C 13 173.97755 0.05 . 1 . . . . . . . . 6334 1 850 . 1 1 76 76 THR CB C 13 71.032 0.05 . 1 . . . . . . . . 6334 1 851 . 1 1 76 76 THR HB H 1 3.74 0.01 . 1 . . . . . . . . 6334 1 852 . 1 1 76 76 THR CG2 C 13 21.62 0.05 . 1 . . . . . . . . 6334 1 853 . 1 1 76 76 THR HG21 H 1 1.027 0.01 . 1 . . . . . . . . 6334 1 854 . 1 1 76 76 THR HG22 H 1 1.027 0.01 . 1 . . . . . . . . 6334 1 855 . 1 1 76 76 THR HG23 H 1 1.027 0.01 . 1 . . . . . . . . 6334 1 856 . 1 1 77 77 PHE H H 1 8.667 0.01 . 1 . . . . . . . . 6334 1 857 . 1 1 77 77 PHE N N 15 121.317 0.05 . 1 . . . . . . . . 6334 1 858 . 1 1 77 77 PHE CA C 13 55.951 0.05 . 1 . . . . . . . . 6334 1 859 . 1 1 77 77 PHE HA H 1 4.996 0.01 . 1 . . . . . . . . 6334 1 860 . 1 1 77 77 PHE C C 13 174.22626 0.05 . 1 . . . . . . . . 6334 1 861 . 1 1 77 77 PHE CB C 13 43.035 0.05 . 1 . . . . . . . . 6334 1 862 . 1 1 77 77 PHE HB2 H 1 3.148 0.01 . 1 . . . . . . . . 6334 1 863 . 1 1 77 77 PHE HB3 H 1 2.485 0.01 . 1 . . . . . . . . 6334 1 864 . 1 1 77 77 PHE CD1 C 13 132.239 0.05 . 1 . . . . . . . . 6334 1 865 . 1 1 77 77 PHE HD1 H 1 6.978 0.01 . 1 . . . . . . . . 6334 1 866 . 1 1 77 77 PHE CD2 C 13 132.239 0.05 . 1 . . . . . . . . 6334 1 867 . 1 1 77 77 PHE HD2 H 1 6.978 0.01 . 1 . . . . . . . . 6334 1 868 . 1 1 77 77 PHE CE1 C 13 131.15 0.05 . 1 . . . . . . . . 6334 1 869 . 1 1 77 77 PHE HE1 H 1 7.055 0.01 . 1 . . . . . . . . 6334 1 870 . 1 1 77 77 PHE CE2 C 13 131.15 0.05 . 1 . . . . . . . . 6334 1 871 . 1 1 77 77 PHE HE2 H 1 7.055 0.01 . 1 . . . . . . . . 6334 1 872 . 1 1 77 77 PHE CZ C 13 131.69 0.05 . 1 . . . . . . . . 6334 1 873 . 1 1 77 77 PHE HZ H 1 7.356 0.01 . 1 . . . . . . . . 6334 1 874 . 1 1 78 78 GLN H H 1 8.997 0.01 . 1 . . . . . . . . 6334 1 875 . 1 1 78 78 GLN N N 15 121.559 0.05 . 1 . . . . . . . . 6334 1 876 . 1 1 78 78 GLN CA C 13 55.794 0.05 . 1 . . . . . . . . 6334 1 877 . 1 1 78 78 GLN HA H 1 4.946 0.01 . 1 . . . . . . . . 6334 1 878 . 1 1 78 78 GLN C C 13 177.78264 0.05 . 1 . . . . . . . . 6334 1 879 . 1 1 78 78 GLN CB C 13 29.379 0.05 . 1 . . . . . . . . 6334 1 880 . 1 1 78 78 GLN HB2 H 1 2.135 0.01 . 1 . . . . . . . . 6334 1 881 . 1 1 78 78 GLN HB3 H 1 1.875 0.01 . 1 . . . . . . . . 6334 1 882 . 1 1 78 78 GLN CG C 13 34.693 0.05 . 1 . . . . . . . . 6334 1 883 . 1 1 78 78 GLN HG2 H 1 2.371 0.01 . 1 . . . . . . . . 6334 1 884 . 1 1 78 78 GLN HG3 H 1 2.371 0.01 . 1 . . . . . . . . 6334 1 885 . 1 1 78 78 GLN NE2 N 15 111.408 0.05 . 1 . . . . . . . . 6334 1 886 . 1 1 78 78 GLN HE21 H 1 6.822 0.01 . 1 . . . . . . . . 6334 1 887 . 1 1 78 78 GLN HE22 H 1 7.45 0.01 . 1 . . . . . . . . 6334 1 888 . 1 1 79 79 VAL H H 1 8.482 0.01 . 1 . . . . . . . . 6334 1 889 . 1 1 79 79 VAL N N 15 126.148 0.05 . 1 . . . . . . . . 6334 1 890 . 1 1 79 79 VAL CA C 13 67.125 0.05 . 1 . . . . . . . . 6334 1 891 . 1 1 79 79 VAL HA H 1 4.048 0.01 . 1 . . . . . . . . 6334 1 892 . 1 1 79 79 VAL C C 13 175.14273 0.05 . 1 . . . . . . . . 6334 1 893 . 1 1 79 79 VAL CB C 13 31.858 0.05 . 1 . . . . . . . . 6334 1 894 . 1 1 79 79 VAL HB H 1 1.876 0.01 . 1 . . . . . . . . 6334 1 895 . 1 1 79 79 VAL CG1 C 13 25.39 0.05 . 1 . . . . . . . . 6334 1 896 . 1 1 79 79 VAL HG11 H 1 0.636 0.01 . 1 . . . . . . . . 6334 1 897 . 1 1 79 79 VAL HG12 H 1 0.636 0.01 . 1 . . . . . . . . 6334 1 898 . 1 1 79 79 VAL HG13 H 1 0.636 0.01 . 1 . . . . . . . . 6334 1 899 . 1 1 79 79 VAL CG2 C 13 23.545 0.05 . 1 . . . . . . . . 6334 1 900 . 1 1 79 79 VAL HG21 H 1 0.497 0.01 . 1 . . . . . . . . 6334 1 901 . 1 1 79 79 VAL HG22 H 1 0.497 0.01 . 1 . . . . . . . . 6334 1 902 . 1 1 79 79 VAL HG23 H 1 0.497 0.01 . 1 . . . . . . . . 6334 1 903 . 1 1 80 80 SER H H 1 7.964 0.01 . 1 . . . . . . . . 6334 1 904 . 1 1 80 80 SER N N 15 110.224 0.05 . 1 . . . . . . . . 6334 1 905 . 1 1 80 80 SER CA C 13 59.232 0.05 . 1 . . . . . . . . 6334 1 906 . 1 1 80 80 SER HA H 1 4.311 0.01 . 1 . . . . . . . . 6334 1 907 . 1 1 80 80 SER C C 13 175.21249 0.05 . 1 . . . . . . . . 6334 1 908 . 1 1 80 80 SER CB C 13 63.229 0.05 . 1 . . . . . . . . 6334 1 909 . 1 1 80 80 SER HB2 H 1 3.973 0.01 . 1 . . . . . . . . 6334 1 910 . 1 1 80 80 SER HB3 H 1 3.973 0.01 . 1 . . . . . . . . 6334 1 911 . 1 1 81 81 GLN H H 1 7.882 0.01 . 1 . . . . . . . . 6334 1 912 . 1 1 81 81 GLN N N 15 119.885 0.05 . 1 . . . . . . . . 6334 1 913 . 1 1 81 81 GLN CA C 13 55.443 0.05 . 1 . . . . . . . . 6334 1 914 . 1 1 81 81 GLN HA H 1 4.551 0.01 . 1 . . . . . . . . 6334 1 915 . 1 1 81 81 GLN C C 13 175.39461 0.05 . 1 . . . . . . . . 6334 1 916 . 1 1 81 81 GLN CB C 13 29.427 0.05 . 1 . . . . . . . . 6334 1 917 . 1 1 81 81 GLN HB2 H 1 2.028 0.01 . 1 . . . . . . . . 6334 1 918 . 1 1 81 81 GLN HB3 H 1 2.028 0.01 . 1 . . . . . . . . 6334 1 919 . 1 1 81 81 GLN CG C 13 34.052 0.05 . 1 . . . . . . . . 6334 1 920 . 1 1 81 81 GLN HG2 H 1 2.371 0.01 . 1 . . . . . . . . 6334 1 921 . 1 1 81 81 GLN HG3 H 1 2.371 0.01 . 1 . . . . . . . . 6334 1 922 . 1 1 81 81 GLN NE2 N 15 112.477 0.05 . 1 . . . . . . . . 6334 1 923 . 1 1 81 81 GLN HE21 H 1 6.827 0.01 . 1 . . . . . . . . 6334 1 924 . 1 1 81 81 GLN HE22 H 1 7.445 0.01 . 1 . . . . . . . . 6334 1 925 . 1 1 82 82 VAL H H 1 6.53 0.01 . 1 . . . . . . . . 6334 1 926 . 1 1 82 82 VAL N N 15 111.316 0.05 . 1 . . . . . . . . 6334 1 927 . 1 1 82 82 VAL CA C 13 59.372 0.05 . 1 . . . . . . . . 6334 1 928 . 1 1 82 82 VAL HA H 1 4.27 0.01 . 1 . . . . . . . . 6334 1 929 . 1 1 82 82 VAL C C 13 174.47787 0.05 . 1 . . . . . . . . 6334 1 930 . 1 1 82 82 VAL CB C 13 33.898 0.05 . 1 . . . . . . . . 6334 1 931 . 1 1 82 82 VAL HB H 1 1.714 0.01 . 1 . . . . . . . . 6334 1 932 . 1 1 82 82 VAL CG1 C 13 22.823 0.05 . 1 . . . . . . . . 6334 1 933 . 1 1 82 82 VAL HG11 H 1 0.234 0.01 . 1 . . . . . . . . 6334 1 934 . 1 1 82 82 VAL HG12 H 1 0.234 0.01 . 1 . . . . . . . . 6334 1 935 . 1 1 82 82 VAL HG13 H 1 0.234 0.01 . 1 . . . . . . . . 6334 1 936 . 1 1 82 82 VAL CG2 C 13 19.134 0.05 . 1 . . . . . . . . 6334 1 937 . 1 1 82 82 VAL HG21 H 1 0.833 0.01 . 1 . . . . . . . . 6334 1 938 . 1 1 82 82 VAL HG22 H 1 0.833 0.01 . 1 . . . . . . . . 6334 1 939 . 1 1 82 82 VAL HG23 H 1 0.833 0.01 . 1 . . . . . . . . 6334 1 940 . 1 1 83 83 ILE H H 1 7.142 0.01 . 1 . . . . . . . . 6334 1 941 . 1 1 83 83 ILE N N 15 110.56 0.05 . 1 . . . . . . . . 6334 1 942 . 1 1 83 83 ILE CA C 13 60.734 0.05 . 1 . . . . . . . . 6334 1 943 . 1 1 83 83 ILE HA H 1 4.153 0.01 . 1 . . . . . . . . 6334 1 944 . 1 1 83 83 ILE CB C 13 36.035 0.05 . 1 . . . . . . . . 6334 1 945 . 1 1 83 83 ILE HB H 1 1.954 0.01 . 1 . . . . . . . . 6334 1 946 . 1 1 84 84 PRO CA C 13 66.262 0.05 . 1 . . . . . . . . 6334 1 947 . 1 1 84 84 PRO HA H 1 4.361 0.01 . 1 . . . . . . . . 6334 1 948 . 1 1 84 84 PRO C C 13 180.21199 0.05 . 1 . . . . . . . . 6334 1 949 . 1 1 84 84 PRO CB C 13 32.273 0.05 . 1 . . . . . . . . 6334 1 950 . 1 1 84 84 PRO HB2 H 1 2.496 0.01 . 1 . . . . . . . . 6334 1 951 . 1 1 84 84 PRO HB3 H 1 2.496 0.01 . 1 . . . . . . . . 6334 1 952 . 1 1 84 84 PRO CG C 13 27.956 0.05 . 1 . . . . . . . . 6334 1 953 . 1 1 84 84 PRO HG2 H 1 2.21 0.01 . 1 . . . . . . . . 6334 1 954 . 1 1 84 84 PRO HG3 H 1 2.21 0.01 . 1 . . . . . . . . 6334 1 955 . 1 1 84 84 PRO CD C 13 56.91 0.05 . 1 . . . . . . . . 6334 1 956 . 1 1 85 85 GLY H H 1 9.52 0.01 . 1 . . . . . . . . 6334 1 957 . 1 1 85 85 GLY N N 15 126.855 0.05 . 1 . . . . . . . . 6334 1 958 . 1 1 85 85 GLY CA C 13 48.064 0.05 . 1 . . . . . . . . 6334 1 959 . 1 1 85 85 GLY HA2 H 1 4.072 0.01 . 1 . . . . . . . . 6334 1 960 . 1 1 85 85 GLY HA3 H 1 3.614 0.01 . 1 . . . . . . . . 6334 1 961 . 1 1 85 85 GLY C C 13 174.93222 0.05 . 1 . . . . . . . . 6334 1 962 . 1 1 86 86 TRP H H 1 7.7 0.01 . 1 . . . . . . . . 6334 1 963 . 1 1 86 86 TRP N N 15 118.706 0.05 . 1 . . . . . . . . 6334 1 964 . 1 1 86 86 TRP CA C 13 60.763 0.05 . 1 . . . . . . . . 6334 1 965 . 1 1 86 86 TRP HA H 1 4.081 0.01 . 1 . . . . . . . . 6334 1 966 . 1 1 86 86 TRP C C 13 176.98457 0.05 . 1 . . . . . . . . 6334 1 967 . 1 1 86 86 TRP CB C 13 28.721 0.05 . 1 . . . . . . . . 6334 1 968 . 1 1 86 86 TRP HB2 H 1 3.196 0.01 . 1 . . . . . . . . 6334 1 969 . 1 1 86 86 TRP HB3 H 1 2.862 0.01 . 1 . . . . . . . . 6334 1 970 . 1 1 86 86 TRP CD1 C 13 120.9139 0.05 . 1 . . . . . . . . 6334 1 971 . 1 1 86 86 TRP HD1 H 1 6.207 0.01 . 1 . . . . . . . . 6334 1 972 . 1 1 86 86 TRP HE1 H 1 5.16 0.01 . 1 . . . . . . . . 6334 1 973 . 1 1 86 86 TRP CE3 C 13 133.079 0.05 . 1 . . . . . . . . 6334 1 974 . 1 1 86 86 TRP HE3 H 1 7.12 0.01 . 1 . . . . . . . . 6334 1 975 . 1 1 86 86 TRP CZ2 C 13 113.078 0.05 . 1 . . . . . . . . 6334 1 976 . 1 1 86 86 TRP HZ2 H 1 6.195 0.01 . 1 . . . . . . . . 6334 1 977 . 1 1 86 86 TRP CZ3 C 13 132.464 0.05 . 1 . . . . . . . . 6334 1 978 . 1 1 86 86 TRP HZ3 H 1 7.003 0.01 . 1 . . . . . . . . 6334 1 979 . 1 1 86 86 TRP CH2 C 13 123.712 0.05 . 1 . . . . . . . . 6334 1 980 . 1 1 86 86 TRP HH2 H 1 5.616 0.01 . 1 . . . . . . . . 6334 1 981 . 1 1 87 87 THR H H 1 8.323 0.01 . 1 . . . . . . . . 6334 1 982 . 1 1 87 87 THR N N 15 118.069 0.05 . 1 . . . . . . . . 6334 1 983 . 1 1 87 87 THR CA C 13 69.013 0.05 . 1 . . . . . . . . 6334 1 984 . 1 1 87 87 THR HA H 1 4.026 0.01 . 1 . . . . . . . . 6334 1 985 . 1 1 87 87 THR C C 13 175.89607 0.05 . 1 . . . . . . . . 6334 1 986 . 1 1 87 87 THR CB C 13 67.491 0.05 . 1 . . . . . . . . 6334 1 987 . 1 1 87 87 THR HB H 1 3.664 0.01 . 1 . . . . . . . . 6334 1 988 . 1 1 87 87 THR CG2 C 13 22.422 0.05 . 1 . . . . . . . . 6334 1 989 . 1 1 87 87 THR HG21 H 1 1.136 0.01 . 1 . . . . . . . . 6334 1 990 . 1 1 87 87 THR HG22 H 1 1.136 0.01 . 1 . . . . . . . . 6334 1 991 . 1 1 87 87 THR HG23 H 1 1.136 0.01 . 1 . . . . . . . . 6334 1 992 . 1 1 88 88 GLU H H 1 7.933 0.01 . 1 . . . . . . . . 6334 1 993 . 1 1 88 88 GLU N N 15 118.447 0.05 . 1 . . . . . . . . 6334 1 994 . 1 1 88 88 GLU CA C 13 59.371 0.05 . 1 . . . . . . . . 6334 1 995 . 1 1 88 88 GLU HA H 1 3.88 0.01 . 1 . . . . . . . . 6334 1 996 . 1 1 88 88 GLU C C 13 177.93817 0.05 . 1 . . . . . . . . 6334 1 997 . 1 1 88 88 GLU CB C 13 29.472 0.05 . 1 . . . . . . . . 6334 1 998 . 1 1 88 88 GLU HB2 H 1 1.959 0.01 . 1 . . . . . . . . 6334 1 999 . 1 1 88 88 GLU HB3 H 1 1.959 0.01 . 1 . . . . . . . . 6334 1 1000 . 1 1 88 88 GLU CG C 13 36.297 0.05 . 1 . . . . . . . . 6334 1 1001 . 1 1 88 88 GLU HG2 H 1 2.263 0.01 . 1 . . . . . . . . 6334 1 1002 . 1 1 88 88 GLU HG3 H 1 1.915 0.01 . 1 . . . . . . . . 6334 1 1003 . 1 1 89 89 ALA H H 1 7.443 0.01 . 1 . . . . . . . . 6334 1 1004 . 1 1 89 89 ALA N N 15 118.557 0.05 . 1 . . . . . . . . 6334 1 1005 . 1 1 89 89 ALA CA C 13 55.392 0.05 . 1 . . . . . . . . 6334 1 1006 . 1 1 89 89 ALA HA H 1 3.743 0.01 . 1 . . . . . . . . 6334 1 1007 . 1 1 89 89 ALA C C 13 179.19522 0.05 . 1 . . . . . . . . 6334 1 1008 . 1 1 89 89 ALA CB C 13 18.948 0.05 . 1 . . . . . . . . 6334 1 1009 . 1 1 89 89 ALA HB1 H 1 1.367 0.01 . 1 . . . . . . . . 6334 1 1010 . 1 1 89 89 ALA HB2 H 1 1.367 0.01 . 1 . . . . . . . . 6334 1 1011 . 1 1 89 89 ALA HB3 H 1 1.367 0.01 . 1 . . . . . . . . 6334 1 1012 . 1 1 90 90 LEU H H 1 8.812 0.01 . 1 . . . . . . . . 6334 1 1013 . 1 1 90 90 LEU N N 15 113.562 0.05 . 1 . . . . . . . . 6334 1 1014 . 1 1 90 90 LEU CA C 13 57.923 0.05 . 1 . . . . . . . . 6334 1 1015 . 1 1 90 90 LEU HA H 1 3.569 0.01 . 1 . . . . . . . . 6334 1 1016 . 1 1 90 90 LEU C C 13 177.9798 0.05 . 1 . . . . . . . . 6334 1 1017 . 1 1 90 90 LEU CB C 13 42.15 0.05 . 1 . . . . . . . . 6334 1 1018 . 1 1 90 90 LEU HB2 H 1 1.8 0.01 . 1 . . . . . . . . 6334 1 1019 . 1 1 90 90 LEU HB3 H 1 0.933 0.01 . 1 . . . . . . . . 6334 1 1020 . 1 1 90 90 LEU CG C 13 27.395 0.05 . 1 . . . . . . . . 6334 1 1021 . 1 1 90 90 LEU CD1 C 13 23.786 0.05 . 1 . . . . . . . . 6334 1 1022 . 1 1 90 90 LEU HD11 H 1 0.649 0.01 . 1 . . . . . . . . 6334 1 1023 . 1 1 90 90 LEU HD12 H 1 0.649 0.01 . 1 . . . . . . . . 6334 1 1024 . 1 1 90 90 LEU HD13 H 1 0.649 0.01 . 1 . . . . . . . . 6334 1 1025 . 1 1 90 90 LEU CD2 C 13 23.786 0.05 . 1 . . . . . . . . 6334 1 1026 . 1 1 90 90 LEU HD21 H 1 0.649 0.01 . 1 . . . . . . . . 6334 1 1027 . 1 1 90 90 LEU HD22 H 1 0.649 0.01 . 1 . . . . . . . . 6334 1 1028 . 1 1 90 90 LEU HD23 H 1 0.649 0.01 . 1 . . . . . . . . 6334 1 1029 . 1 1 90 90 LEU HG H 1 0.858 0.01 . 1 . . . . . . . . 6334 1 1030 . 1 1 91 91 GLN H H 1 6.314 0.01 . 1 . . . . . . . . 6334 1 1031 . 1 1 91 91 GLN N N 15 108.771 0.05 . 1 . . . . . . . . 6334 1 1032 . 1 1 91 91 GLN CA C 13 57.391 0.05 . 1 . . . . . . . . 6334 1 1033 . 1 1 91 91 GLN HA H 1 4.321 0.01 . 1 . . . . . . . . 6334 1 1034 . 1 1 91 91 GLN C C 13 176.29134 0.05 . 1 . . . . . . . . 6334 1 1035 . 1 1 91 91 GLN CB C 13 31.673 0.05 . 1 . . . . . . . . 6334 1 1036 . 1 1 91 91 GLN HB2 H 1 2.298 0.01 . 1 . . . . . . . . 6334 1 1037 . 1 1 91 91 GLN HB3 H 1 1.771 0.01 . 1 . . . . . . . . 6334 1 1038 . 1 1 92 92 LEU H H 1 7.355 0.01 . 1 . . . . . . . . 6334 1 1039 . 1 1 92 92 LEU N N 15 117.145 0.05 . 1 . . . . . . . . 6334 1 1040 . 1 1 92 92 LEU CA C 13 54.204 0.05 . 1 . . . . . . . . 6334 1 1041 . 1 1 92 92 LEU HA H 1 4.245 0.01 . 1 . . . . . . . . 6334 1 1042 . 1 1 92 92 LEU C C 13 176.29134 0.05 . 1 . . . . . . . . 6334 1 1043 . 1 1 92 92 LEU CB C 13 43.927 0.05 . 1 . . . . . . . . 6334 1 1044 . 1 1 92 92 LEU HB2 H 1 1.988 0.01 . 1 . . . . . . . . 6334 1 1045 . 1 1 92 92 LEU HB3 H 1 1.688 0.01 . 1 . . . . . . . . 6334 1 1046 . 1 1 92 92 LEU CG C 13 22.6117 0.05 . 1 . . . . . . . . 6334 1 1047 . 1 1 92 92 LEU CD1 C 13 26.4382 0.05 . 1 . . . . . . . . 6334 1 1048 . 1 1 92 92 LEU HD11 H 1 0.891 0.01 . 1 . . . . . . . . 6334 1 1049 . 1 1 92 92 LEU HD12 H 1 0.891 0.01 . 1 . . . . . . . . 6334 1 1050 . 1 1 92 92 LEU HD13 H 1 0.891 0.01 . 1 . . . . . . . . 6334 1 1051 . 1 1 92 92 LEU CD2 C 13 26.4382 0.05 . 1 . . . . . . . . 6334 1 1052 . 1 1 92 92 LEU HD21 H 1 0.998 0.01 . 1 . . . . . . . . 6334 1 1053 . 1 1 92 92 LEU HD22 H 1 0.998 0.01 . 1 . . . . . . . . 6334 1 1054 . 1 1 92 92 LEU HD23 H 1 0.998 0.01 . 1 . . . . . . . . 6334 1 1055 . 1 1 92 92 LEU HG H 1 0.891 0.01 . 1 . . . . . . . . 6334 1 1056 . 1 1 93 93 MET H H 1 6.939 0.01 . 1 . . . . . . . . 6334 1 1057 . 1 1 93 93 MET N N 15 120.937 0.05 . 1 . . . . . . . . 6334 1 1058 . 1 1 93 93 MET CA C 13 54.228 0.05 . 1 . . . . . . . . 6334 1 1059 . 1 1 93 93 MET HA H 1 3.578 0.01 . 1 . . . . . . . . 6334 1 1060 . 1 1 93 93 MET C C 13 176.1199 0.05 . 1 . . . . . . . . 6334 1 1061 . 1 1 93 93 MET CB C 13 35.376 0.05 . 1 . . . . . . . . 6334 1 1062 . 1 1 93 93 MET HB2 H 1 1.419 0.01 . 1 . . . . . . . . 6334 1 1063 . 1 1 93 93 MET HB3 H 1 1.004 0.01 . 1 . . . . . . . . 6334 1 1064 . 1 1 93 93 MET CG C 13 30.273 0.05 . 1 . . . . . . . . 6334 1 1065 . 1 1 93 93 MET HG2 H 1 1.251 0.01 . 1 . . . . . . . . 6334 1 1066 . 1 1 93 93 MET HG3 H 1 -0.469 0.01 . 1 . . . . . . . . 6334 1 1067 . 1 1 94 94 PRO CA C 13 61.615 0.05 . 1 . . . . . . . . 6334 1 1068 . 1 1 94 94 PRO HA H 1 3.873 0.01 . 1 . . . . . . . . 6334 1 1069 . 1 1 94 94 PRO C C 13 180.50824 0.05 . 1 . . . . . . . . 6334 1 1070 . 1 1 94 94 PRO CB C 13 32.82 0.05 . 1 . . . . . . . . 6334 1 1071 . 1 1 94 94 PRO HB2 H 1 2.435 0.01 . 1 . . . . . . . . 6334 1 1072 . 1 1 94 94 PRO HB3 H 1 1.265 0.01 . 1 . . . . . . . . 6334 1 1073 . 1 1 94 94 PRO CG C 13 28.357 0.05 . 1 . . . . . . . . 6334 1 1074 . 1 1 94 94 PRO HG2 H 1 2.074 0.01 . 1 . . . . . . . . 6334 1 1075 . 1 1 94 94 PRO HG3 H 1 1.774 0.01 . 1 . . . . . . . . 6334 1 1076 . 1 1 94 94 PRO CD C 13 50.2351 0.05 . 1 . . . . . . . . 6334 1 1077 . 1 1 94 94 PRO HD2 H 1 3.033 0.01 . 1 . . . . . . . . 6334 1 1078 . 1 1 94 94 PRO HD3 H 1 3.033 0.01 . 1 . . . . . . . . 6334 1 1079 . 1 1 95 95 ALA H H 1 8.628 0.01 . 1 . . . . . . . . 6334 1 1080 . 1 1 95 95 ALA N N 15 129.123 0.05 . 1 . . . . . . . . 6334 1 1081 . 1 1 95 95 ALA CA C 13 54.781 0.05 . 1 . . . . . . . . 6334 1 1082 . 1 1 95 95 ALA HA H 1 3.634 0.01 . 1 . . . . . . . . 6334 1 1083 . 1 1 95 95 ALA C C 13 176.39346 0.05 . 1 . . . . . . . . 6334 1 1084 . 1 1 95 95 ALA CB C 13 17.197 0.05 . 1 . . . . . . . . 6334 1 1085 . 1 1 95 95 ALA HB1 H 1 1.345 0.01 . 1 . . . . . . . . 6334 1 1086 . 1 1 95 95 ALA HB2 H 1 1.345 0.01 . 1 . . . . . . . . 6334 1 1087 . 1 1 95 95 ALA HB3 H 1 1.345 0.01 . 1 . . . . . . . . 6334 1 1088 . 1 1 96 96 GLY H H 1 8.671 0.01 . 1 . . . . . . . . 6334 1 1089 . 1 1 96 96 GLY N N 15 109.71 0.05 . 1 . . . . . . . . 6334 1 1090 . 1 1 96 96 GLY CA C 13 44.648 0.05 . 1 . . . . . . . . 6334 1 1091 . 1 1 96 96 GLY HA2 H 1 4.638 0.01 . 1 . . . . . . . . 6334 1 1092 . 1 1 96 96 GLY HA3 H 1 3.959 0.01 . 1 . . . . . . . . 6334 1 1093 . 1 1 96 96 GLY C C 13 175.57172 0.05 . 1 . . . . . . . . 6334 1 1094 . 1 1 97 97 SER H H 1 7.797 0.01 . 1 . . . . . . . . 6334 1 1095 . 1 1 97 97 SER N N 15 116.57 0.05 . 1 . . . . . . . . 6334 1 1096 . 1 1 97 97 SER CA C 13 59.157 0.05 . 1 . . . . . . . . 6334 1 1097 . 1 1 97 97 SER HA H 1 4.718 0.01 . 1 . . . . . . . . 6334 1 1098 . 1 1 97 97 SER C C 13 173.13441 0.05 . 1 . . . . . . . . 6334 1 1099 . 1 1 97 97 SER CB C 13 64.788 0.05 . 1 . . . . . . . . 6334 1 1100 . 1 1 97 97 SER HB2 H 1 4.14 0.01 . 1 . . . . . . . . 6334 1 1101 . 1 1 97 97 SER HB3 H 1 3.512 0.01 . 1 . . . . . . . . 6334 1 1102 . 1 1 98 98 THR H H 1 9.35 0.01 . 1 . . . . . . . . 6334 1 1103 . 1 1 98 98 THR N N 15 118.424 0.05 . 1 . . . . . . . . 6334 1 1104 . 1 1 98 98 THR CA C 13 62.131 0.05 . 1 . . . . . . . . 6334 1 1105 . 1 1 98 98 THR HA H 1 5.779 0.01 . 1 . . . . . . . . 6334 1 1106 . 1 1 98 98 THR C C 13 173.63892 0.05 . 1 . . . . . . . . 6334 1 1107 . 1 1 98 98 THR CB C 13 70.044 0.05 . 1 . . . . . . . . 6334 1 1108 . 1 1 98 98 THR HB H 1 3.967 0.01 . 1 . . . . . . . . 6334 1 1109 . 1 1 98 98 THR CG2 C 13 20.176 0.05 . 1 . . . . . . . . 6334 1 1110 . 1 1 98 98 THR HG21 H 1 1.052 0.01 . 1 . . . . . . . . 6334 1 1111 . 1 1 98 98 THR HG22 H 1 1.052 0.01 . 1 . . . . . . . . 6334 1 1112 . 1 1 98 98 THR HG23 H 1 1.052 0.01 . 1 . . . . . . . . 6334 1 1113 . 1 1 99 99 TRP H H 1 9.321 0.01 . 1 . . . . . . . . 6334 1 1114 . 1 1 99 99 TRP N N 15 129.295 0.05 . 1 . . . . . . . . 6334 1 1115 . 1 1 99 99 TRP CA C 13 54.412 0.05 . 1 . . . . . . . . 6334 1 1116 . 1 1 99 99 TRP HA H 1 5.642 0.01 . 1 . . . . . . . . 6334 1 1117 . 1 1 99 99 TRP C C 13 174.4332 0.05 . 1 . . . . . . . . 6334 1 1118 . 1 1 99 99 TRP CB C 13 34.598 0.05 . 1 . . . . . . . . 6334 1 1119 . 1 1 99 99 TRP HB2 H 1 3.28 0.01 . 1 . . . . . . . . 6334 1 1120 . 1 1 99 99 TRP HB3 H 1 2.984 0.01 . 1 . . . . . . . . 6334 1 1121 . 1 1 99 99 TRP CD1 C 13 120.653 0.05 . 1 . . . . . . . . 6334 1 1122 . 1 1 99 99 TRP HD1 H 1 7.217 0.01 . 1 . . . . . . . . 6334 1 1123 . 1 1 99 99 TRP HE1 H 1 10.574 0.01 . 1 . . . . . . . . 6334 1 1124 . 1 1 99 99 TRP CE3 C 13 119.62 0.05 . 1 . . . . . . . . 6334 1 1125 . 1 1 99 99 TRP HE3 H 1 6.664 0.01 . 1 . . . . . . . . 6334 1 1126 . 1 1 99 99 TRP CZ2 C 13 112.505 0.05 . 1 . . . . . . . . 6334 1 1127 . 1 1 99 99 TRP HZ2 H 1 7.2 0.01 . 1 . . . . . . . . 6334 1 1128 . 1 1 99 99 TRP CZ3 C 13 121.529 0.05 . 1 . . . . . . . . 6334 1 1129 . 1 1 99 99 TRP HZ3 H 1 5.692 0.01 . 1 . . . . . . . . 6334 1 1130 . 1 1 99 99 TRP CH2 C 13 126.211 0.05 . 1 . . . . . . . . 6334 1 1131 . 1 1 99 99 TRP HH2 H 1 6.48 0.01 . 1 . . . . . . . . 6334 1 1132 . 1 1 100 100 GLU H H 1 9.354 0.01 . 1 . . . . . . . . 6334 1 1133 . 1 1 100 100 GLU N N 15 122.665 0.05 . 1 . . . . . . . . 6334 1 1134 . 1 1 100 100 GLU CA C 13 55.458 0.05 . 1 . . . . . . . . 6334 1 1135 . 1 1 100 100 GLU HA H 1 5.512 0.01 . 1 . . . . . . . . 6334 1 1136 . 1 1 100 100 GLU C C 13 174.52815 0.05 . 1 . . . . . . . . 6334 1 1137 . 1 1 100 100 GLU CB C 13 33.039 0.05 . 1 . . . . . . . . 6334 1 1138 . 1 1 100 100 GLU HB2 H 1 2.096 0.01 . 1 . . . . . . . . 6334 1 1139 . 1 1 100 100 GLU HB3 H 1 1.749 0.01 . 1 . . . . . . . . 6334 1 1140 . 1 1 100 100 GLU CG C 13 35.752 0.05 . 1 . . . . . . . . 6334 1 1141 . 1 1 100 100 GLU HG2 H 1 1.942 0.01 . 1 . . . . . . . . 6334 1 1142 . 1 1 100 100 GLU HG3 H 1 1.678 0.01 . 1 . . . . . . . . 6334 1 1143 . 1 1 101 101 ILE H H 1 9.378 0.01 . 1 . . . . . . . . 6334 1 1144 . 1 1 101 101 ILE N N 15 118.744 0.05 . 1 . . . . . . . . 6334 1 1145 . 1 1 101 101 ILE CA C 13 59.038 0.05 . 1 . . . . . . . . 6334 1 1146 . 1 1 101 101 ILE HA H 1 5.238 0.01 . 1 . . . . . . . . 6334 1 1147 . 1 1 101 101 ILE CB C 13 41.121 0.05 . 1 . . . . . . . . 6334 1 1148 . 1 1 101 101 ILE HB H 1 1.93 0.01 . 1 . . . . . . . . 6334 1 1149 . 1 1 101 101 ILE CG2 C 13 17.9661 0.05 . 1 . . . . . . . . 6334 1 1150 . 1 1 101 101 ILE HG21 H 1 1.052 0.01 . 1 . . . . . . . . 6334 1 1151 . 1 1 101 101 ILE HG22 H 1 1.052 0.01 . 1 . . . . . . . . 6334 1 1152 . 1 1 101 101 ILE HG23 H 1 1.052 0.01 . 1 . . . . . . . . 6334 1 1153 . 1 1 101 101 ILE CG1 C 13 27.475 0.05 . 1 . . . . . . . . 6334 1 1154 . 1 1 101 101 ILE HG12 H 1 1.684 0.01 . 1 . . . . . . . . 6334 1 1155 . 1 1 101 101 ILE HG13 H 1 1.684 0.01 . 1 . . . . . . . . 6334 1 1156 . 1 1 101 101 ILE CD1 C 13 14.682 0.05 . 1 . . . . . . . . 6334 1 1157 . 1 1 101 101 ILE HD11 H 1 0.513 0.01 . 1 . . . . . . . . 6334 1 1158 . 1 1 101 101 ILE HD12 H 1 0.513 0.01 . 1 . . . . . . . . 6334 1 1159 . 1 1 101 101 ILE HD13 H 1 0.513 0.01 . 1 . . . . . . . . 6334 1 1160 . 1 1 102 102 TYR H H 1 9.087 0.01 . 1 . . . . . . . . 6334 1 1161 . 1 1 102 102 TYR N N 15 124.555 0.05 . 1 . . . . . . . . 6334 1 1162 . 1 1 102 102 TYR CA C 13 55.833 0.05 . 1 . . . . . . . . 6334 1 1163 . 1 1 102 102 TYR HA H 1 5.122 0.01 . 1 . . . . . . . . 6334 1 1164 . 1 1 102 102 TYR C C 13 174.35524 0.05 . 1 . . . . . . . . 6334 1 1165 . 1 1 102 102 TYR CB C 13 38.081 0.05 . 1 . . . . . . . . 6334 1 1166 . 1 1 102 102 TYR HB2 H 1 3.172 0.01 . 1 . . . . . . . . 6334 1 1167 . 1 1 102 102 TYR HB3 H 1 2.753 0.01 . 1 . . . . . . . . 6334 1 1168 . 1 1 102 102 TYR CD1 C 13 134.262 0.05 . 1 . . . . . . . . 6334 1 1169 . 1 1 102 102 TYR HD1 H 1 7.04 0.01 . 1 . . . . . . . . 6334 1 1170 . 1 1 102 102 TYR CD2 C 13 134.262 0.05 . 1 . . . . . . . . 6334 1 1171 . 1 1 102 102 TYR HD2 H 1 7.04 0.01 . 1 . . . . . . . . 6334 1 1172 . 1 1 102 102 TYR CE1 C 13 120.7341 0.05 . 1 . . . . . . . . 6334 1 1173 . 1 1 102 102 TYR HE1 H 1 6.817 0.01 . 1 . . . . . . . . 6334 1 1174 . 1 1 102 102 TYR CE2 C 13 120.7341 0.05 . 1 . . . . . . . . 6334 1 1175 . 1 1 102 102 TYR HE2 H 1 6.817 0.01 . 1 . . . . . . . . 6334 1 1176 . 1 1 103 103 VAL H H 1 9.759 0.01 . 1 . . . . . . . . 6334 1 1177 . 1 1 103 103 VAL N N 15 123.852 0.05 . 1 . . . . . . . . 6334 1 1178 . 1 1 103 103 VAL CA C 13 60.031 0.05 . 1 . . . . . . . . 6334 1 1179 . 1 1 103 103 VAL HA H 1 4.627 0.01 . 1 . . . . . . . . 6334 1 1180 . 1 1 103 103 VAL CB C 13 33.844 0.05 . 1 . . . . . . . . 6334 1 1181 . 1 1 103 103 VAL HB H 1 2.507 0.01 . 1 . . . . . . . . 6334 1 1182 . 1 1 103 103 VAL CG1 C 13 25.0728 0.05 . 1 . . . . . . . . 6334 1 1183 . 1 1 103 103 VAL HG11 H 1 1.115 0.01 . 1 . . . . . . . . 6334 1 1184 . 1 1 103 103 VAL HG12 H 1 1.115 0.01 . 1 . . . . . . . . 6334 1 1185 . 1 1 103 103 VAL HG13 H 1 1.115 0.01 . 1 . . . . . . . . 6334 1 1186 . 1 1 103 103 VAL CG2 C 13 25.0728 0.05 . 1 . . . . . . . . 6334 1 1187 . 1 1 103 103 VAL HG21 H 1 1.115 0.01 . 1 . . . . . . . . 6334 1 1188 . 1 1 103 103 VAL HG22 H 1 1.115 0.01 . 1 . . . . . . . . 6334 1 1189 . 1 1 103 103 VAL HG23 H 1 1.115 0.01 . 1 . . . . . . . . 6334 1 1190 . 1 1 104 104 PRO CA C 13 62.344 0.05 . 1 . . . . . . . . 6334 1 1191 . 1 1 104 104 PRO HA H 1 4.631 0.01 . 1 . . . . . . . . 6334 1 1192 . 1 1 104 104 PRO C C 13 178.39355 0.05 . 1 . . . . . . . . 6334 1 1193 . 1 1 104 104 PRO CB C 13 32.547 0.05 . 1 . . . . . . . . 6334 1 1194 . 1 1 104 104 PRO HB2 H 1 2.508 0.01 . 1 . . . . . . . . 6334 1 1195 . 1 1 104 104 PRO HB3 H 1 1.937 0.01 . 1 . . . . . . . . 6334 1 1196 . 1 1 104 104 PRO CG C 13 27.876 0.05 . 1 . . . . . . . . 6334 1 1197 . 1 1 104 104 PRO HG2 H 1 2.05 0.01 . 1 . . . . . . . . 6334 1 1198 . 1 1 104 104 PRO HG3 H 1 2.05 0.01 . 1 . . . . . . . . 6334 1 1199 . 1 1 104 104 PRO CD C 13 51.456 0.05 . 1 . . . . . . . . 6334 1 1200 . 1 1 104 104 PRO HD2 H 1 4.566 0.01 . 1 . . . . . . . . 6334 1 1201 . 1 1 104 104 PRO HD3 H 1 3.731 0.01 . 1 . . . . . . . . 6334 1 1202 . 1 1 105 105 SER H H 1 8.46 0.01 . 1 . . . . . . . . 6334 1 1203 . 1 1 105 105 SER N N 15 118.64 0.05 . 1 . . . . . . . . 6334 1 1204 . 1 1 105 105 SER CA C 13 62.29 0.05 . 1 . . . . . . . . 6334 1 1205 . 1 1 105 105 SER HA H 1 4.147 0.01 . 1 . . . . . . . . 6334 1 1206 . 1 1 105 105 SER C C 13 178.56433 0.05 . 1 . . . . . . . . 6334 1 1207 . 1 1 105 105 SER CB C 13 63 0.05 . 1 . . . . . . . . 6334 1 1208 . 1 1 105 105 SER HB2 H 1 3.678 0.01 . 1 . . . . . . . . 6334 1 1209 . 1 1 105 105 SER HB3 H 1 3.502 0.01 . 1 . . . . . . . . 6334 1 1210 . 1 1 106 106 GLY H H 1 8.883 0.01 . 1 . . . . . . . . 6334 1 1211 . 1 1 106 106 GLY N N 15 110.574 0.05 . 1 . . . . . . . . 6334 1 1212 . 1 1 106 106 GLY CA C 13 46.379 0.05 . 1 . . . . . . . . 6334 1 1213 . 1 1 106 106 GLY HA2 H 1 3.952 0.01 . 1 . . . . . . . . 6334 1 1214 . 1 1 106 106 GLY HA3 H 1 3.952 0.01 . 1 . . . . . . . . 6334 1 1215 . 1 1 106 106 GLY C C 13 175.23428 0.05 . 1 . . . . . . . . 6334 1 1216 . 1 1 107 107 LEU H H 1 7.962 0.01 . 1 . . . . . . . . 6334 1 1217 . 1 1 107 107 LEU N N 15 119.163 0.05 . 1 . . . . . . . . 6334 1 1218 . 1 1 107 107 LEU CA C 13 53.606 0.05 . 1 . . . . . . . . 6334 1 1219 . 1 1 107 107 LEU HA H 1 4.58 0.01 . 1 . . . . . . . . 6334 1 1220 . 1 1 107 107 LEU C C 13 174.45204 0.05 . 1 . . . . . . . . 6334 1 1221 . 1 1 107 107 LEU CB C 13 42.538 0.05 . 1 . . . . . . . . 6334 1 1222 . 1 1 107 107 LEU HB2 H 1 1.715 0.01 . 1 . . . . . . . . 6334 1 1223 . 1 1 107 107 LEU HB3 H 1 1.552 0.01 . 1 . . . . . . . . 6334 1 1224 . 1 1 107 107 LEU CG C 13 27.074 0.05 . 1 . . . . . . . . 6334 1 1225 . 1 1 107 107 LEU CD1 C 13 22.903 0.05 . 1 . . . . . . . . 6334 1 1226 . 1 1 107 107 LEU HD11 H 1 0.891 0.01 . 1 . . . . . . . . 6334 1 1227 . 1 1 107 107 LEU HD12 H 1 0.891 0.01 . 1 . . . . . . . . 6334 1 1228 . 1 1 107 107 LEU HD13 H 1 0.891 0.01 . 1 . . . . . . . . 6334 1 1229 . 1 1 107 107 LEU CD2 C 13 22.903 0.05 . 1 . . . . . . . . 6334 1 1230 . 1 1 107 107 LEU HD21 H 1 0.891 0.01 . 1 . . . . . . . . 6334 1 1231 . 1 1 107 107 LEU HD22 H 1 0.891 0.01 . 1 . . . . . . . . 6334 1 1232 . 1 1 107 107 LEU HD23 H 1 0.891 0.01 . 1 . . . . . . . . 6334 1 1233 . 1 1 107 107 LEU HG H 1 1.649 0.01 . 1 . . . . . . . . 6334 1 1234 . 1 1 108 108 ALA H H 1 7.765 0.01 . 1 . . . . . . . . 6334 1 1235 . 1 1 108 108 ALA N N 15 126.106 0.05 . 1 . . . . . . . . 6334 1 1236 . 1 1 108 108 ALA CA C 13 51.086 0.05 . 1 . . . . . . . . 6334 1 1237 . 1 1 108 108 ALA HA H 1 4.431 0.01 . 1 . . . . . . . . 6334 1 1238 . 1 1 108 108 ALA C C 13 175.32585 0.05 . 1 . . . . . . . . 6334 1 1239 . 1 1 108 108 ALA CB C 13 18.686 0.05 . 1 . . . . . . . . 6334 1 1240 . 1 1 108 108 ALA HB1 H 1 1.374 0.01 . 1 . . . . . . . . 6334 1 1241 . 1 1 108 108 ALA HB2 H 1 1.374 0.01 . 1 . . . . . . . . 6334 1 1242 . 1 1 108 108 ALA HB3 H 1 1.374 0.01 . 1 . . . . . . . . 6334 1 1243 . 1 1 109 109 TYR H H 1 9.172 0.01 . 1 . . . . . . . . 6334 1 1244 . 1 1 109 109 TYR N N 15 122.149 0.05 . 1 . . . . . . . . 6334 1 1245 . 1 1 109 109 TYR CA C 13 58.661 0.05 . 1 . . . . . . . . 6334 1 1246 . 1 1 109 109 TYR HA H 1 4.586 0.01 . 1 . . . . . . . . 6334 1 1247 . 1 1 109 109 TYR C C 13 176.34038 0.05 . 1 . . . . . . . . 6334 1 1248 . 1 1 109 109 TYR CB C 13 38.19 0.05 . 1 . . . . . . . . 6334 1 1249 . 1 1 109 109 TYR HB2 H 1 3.183 0.01 . 1 . . . . . . . . 6334 1 1250 . 1 1 109 109 TYR HB3 H 1 2.885 0.01 . 1 . . . . . . . . 6334 1 1251 . 1 1 109 109 TYR CD1 C 13 133.12 0.05 . 1 . . . . . . . . 6334 1 1252 . 1 1 109 109 TYR HD1 H 1 7.139 0.01 . 1 . . . . . . . . 6334 1 1253 . 1 1 109 109 TYR CD2 C 13 133.12 0.05 . 1 . . . . . . . . 6334 1 1254 . 1 1 109 109 TYR HD2 H 1 7.139 0.01 . 1 . . . . . . . . 6334 1 1255 . 1 1 109 109 TYR CE1 C 13 117.821 0.05 . 1 . . . . . . . . 6334 1 1256 . 1 1 109 109 TYR HE1 H 1 6.608 0.01 . 1 . . . . . . . . 6334 1 1257 . 1 1 109 109 TYR CE2 C 13 117.821 0.05 . 1 . . . . . . . . 6334 1 1258 . 1 1 109 109 TYR HE2 H 1 6.608 0.01 . 1 . . . . . . . . 6334 1 1259 . 1 1 110 110 GLY H H 1 8.414 0.01 . 1 . . . . . . . . 6334 1 1260 . 1 1 110 110 GLY N N 15 109.732 0.05 . 1 . . . . . . . . 6334 1 1261 . 1 1 110 110 GLY CA C 13 45.337 0.05 . 1 . . . . . . . . 6334 1 1262 . 1 1 110 110 GLY HA2 H 1 3.797 0.01 . 1 . . . . . . . . 6334 1 1263 . 1 1 110 110 GLY HA3 H 1 3.797 0.01 . 1 . . . . . . . . 6334 1 1264 . 1 1 111 111 PRO CA C 13 63.802 0.05 . 1 . . . . . . . . 6334 1 1265 . 1 1 111 111 PRO HA H 1 4.413 0.01 . 1 . . . . . . . . 6334 1 1266 . 1 1 111 111 PRO C C 13 175.49272 0.05 . 1 . . . . . . . . 6334 1 1267 . 1 1 111 111 PRO CB C 13 31.909 0.05 . 1 . . . . . . . . 6334 1 1268 . 1 1 111 111 PRO HB2 H 1 2.295 0.01 . 1 . . . . . . . . 6334 1 1269 . 1 1 111 111 PRO HB3 H 1 2.166 0.01 . 1 . . . . . . . . 6334 1 1270 . 1 1 111 111 PRO CG C 13 27.2603 0.05 . 1 . . . . . . . . 6334 1 1271 . 1 1 111 111 PRO HG2 H 1 1.85 0.01 . 1 . . . . . . . . 6334 1 1272 . 1 1 111 111 PRO HG3 H 1 1.85 0.01 . 1 . . . . . . . . 6334 1 1273 . 1 1 111 111 PRO CD C 13 50.2351 0.05 . 1 . . . . . . . . 6334 1 1274 . 1 1 111 111 PRO HD2 H 1 3.674 0.01 . 1 . . . . . . . . 6334 1 1275 . 1 1 111 111 PRO HD3 H 1 3.832 0.01 . 1 . . . . . . . . 6334 1 1276 . 1 1 112 112 ARG H H 1 7.527 0.01 . 1 . . . . . . . . 6334 1 1277 . 1 1 112 112 ARG N N 15 120.13 0.05 . 1 . . . . . . . . 6334 1 1278 . 1 1 112 112 ARG CA C 13 56.048 0.05 . 1 . . . . . . . . 6334 1 1279 . 1 1 112 112 ARG HA H 1 4.31 0.01 . 1 . . . . . . . . 6334 1 1280 . 1 1 112 112 ARG C C 13 174.81747 0.05 . 1 . . . . . . . . 6334 1 1281 . 1 1 112 112 ARG CB C 13 31.57 0.05 . 1 . . . . . . . . 6334 1 1282 . 1 1 112 112 ARG HB2 H 1 1.834 0.01 . 1 . . . . . . . . 6334 1 1283 . 1 1 112 112 ARG HB3 H 1 1.834 0.01 . 1 . . . . . . . . 6334 1 1284 . 1 1 112 112 ARG CG C 13 27.475 0.05 . 1 . . . . . . . . 6334 1 1285 . 1 1 112 112 ARG HG2 H 1 1.567 0.01 . 1 . . . . . . . . 6334 1 1286 . 1 1 112 112 ARG HG3 H 1 1.637 0.01 . 1 . . . . . . . . 6334 1 1287 . 1 1 112 112 ARG CD C 13 43.676 0.05 . 1 . . . . . . . . 6334 1 1288 . 1 1 112 112 ARG HD2 H 1 3.212 0.01 . 1 . . . . . . . . 6334 1 1289 . 1 1 112 112 ARG HD3 H 1 3.212 0.01 . 1 . . . . . . . . 6334 1 1290 . 1 1 113 113 SER H H 1 8.179 0.01 . 1 . . . . . . . . 6334 1 1291 . 1 1 113 113 SER N N 15 115.808 0.05 . 1 . . . . . . . . 6334 1 1292 . 1 1 113 113 SER CA C 13 63.396 0.05 . 1 . . . . . . . . 6334 1 1293 . 1 1 113 113 SER HA H 1 4.315 0.01 . 1 . . . . . . . . 6334 1 1294 . 1 1 113 113 SER C C 13 174.92102 0.05 . 1 . . . . . . . . 6334 1 1295 . 1 1 113 113 SER CB C 13 57.166 0.05 . 1 . . . . . . . . 6334 1 1296 . 1 1 113 113 SER HB2 H 1 3.762 0.01 . 1 . . . . . . . . 6334 1 1297 . 1 1 113 113 SER HB3 H 1 3.696 0.01 . 1 . . . . . . . . 6334 1 1298 . 1 1 114 114 VAL H H 1 7.516 0.01 . 1 . . . . . . . . 6334 1 1299 . 1 1 114 114 VAL N N 15 121.556 0.05 . 1 . . . . . . . . 6334 1 1300 . 1 1 114 114 VAL CA C 13 62.331 0.05 . 1 . . . . . . . . 6334 1 1301 . 1 1 114 114 VAL HA H 1 4.059 0.01 . 1 . . . . . . . . 6334 1 1302 . 1 1 114 114 VAL C C 13 175.88304 0.05 . 1 . . . . . . . . 6334 1 1303 . 1 1 114 114 VAL CB C 13 32.44 0.05 . 1 . . . . . . . . 6334 1 1304 . 1 1 114 114 VAL HB H 1 1.872 0.01 . 1 . . . . . . . . 6334 1 1305 . 1 1 114 114 VAL CG1 C 13 20.738 0.05 . 1 . . . . . . . . 6334 1 1306 . 1 1 114 114 VAL HG11 H 1 0.598 0.01 . 1 . . . . . . . . 6334 1 1307 . 1 1 114 114 VAL HG12 H 1 0.598 0.01 . 1 . . . . . . . . 6334 1 1308 . 1 1 114 114 VAL HG13 H 1 0.598 0.01 . 1 . . . . . . . . 6334 1 1309 . 1 1 114 114 VAL CG2 C 13 20.738 0.05 . 1 . . . . . . . . 6334 1 1310 . 1 1 114 114 VAL HG21 H 1 0.451 0.01 . 1 . . . . . . . . 6334 1 1311 . 1 1 114 114 VAL HG22 H 1 0.451 0.01 . 1 . . . . . . . . 6334 1 1312 . 1 1 114 114 VAL HG23 H 1 0.451 0.01 . 1 . . . . . . . . 6334 1 1313 . 1 1 115 115 GLY H H 1 7.943 0.01 . 1 . . . . . . . . 6334 1 1314 . 1 1 115 115 GLY N N 15 109.913 0.05 . 1 . . . . . . . . 6334 1 1315 . 1 1 115 115 GLY CA C 13 44.493 0.05 . 1 . . . . . . . . 6334 1 1316 . 1 1 115 115 GLY HA2 H 1 4.245 0.01 . 1 . . . . . . . . 6334 1 1317 . 1 1 115 115 GLY HA3 H 1 3.703 0.01 . 1 . . . . . . . . 6334 1 1318 . 1 1 115 115 GLY C C 13 174.21417 0.05 . 1 . . . . . . . . 6334 1 1319 . 1 1 116 116 GLY H H 1 8.437 0.01 . 1 . . . . . . . . 6334 1 1320 . 1 1 116 116 GLY N N 15 110.211 0.05 . 1 . . . . . . . . 6334 1 1321 . 1 1 116 116 GLY CA C 13 44.713 0.05 . 1 . . . . . . . . 6334 1 1322 . 1 1 117 117 PRO CA C 13 63.802 0.05 . 1 . . . . . . . . 6334 1 1323 . 1 1 117 117 PRO HA H 1 4.491 0.01 . 1 . . . . . . . . 6334 1 1324 . 1 1 117 117 PRO C C 13 175.53809 0.05 . 1 . . . . . . . . 6334 1 1325 . 1 1 117 117 PRO CB C 13 32.547 0.05 . 1 . . . . . . . . 6334 1 1326 . 1 1 117 117 PRO HB2 H 1 2.308 0.01 . 1 . . . . . . . . 6334 1 1327 . 1 1 117 117 PRO HB3 H 1 1.908 0.01 . 1 . . . . . . . . 6334 1 1328 . 1 1 117 117 PRO CG C 13 26.833 0.05 . 1 . . . . . . . . 6334 1 1329 . 1 1 117 117 PRO HG2 H 1 1.842 0.01 . 1 . . . . . . . . 6334 1 1330 . 1 1 117 117 PRO HG3 H 1 1.842 0.01 . 1 . . . . . . . . 6334 1 1331 . 1 1 117 117 PRO CD C 13 50.2351 0.05 . 1 . . . . . . . . 6334 1 1332 . 1 1 117 117 PRO HD2 H 1 3.828 0.01 . 1 . . . . . . . . 6334 1 1333 . 1 1 117 117 PRO HD3 H 1 3.828 0.01 . 1 . . . . . . . . 6334 1 1334 . 1 1 118 118 ILE H H 1 7.198 0.01 . 1 . . . . . . . . 6334 1 1335 . 1 1 118 118 ILE N N 15 117.79 0.05 . 1 . . . . . . . . 6334 1 1336 . 1 1 118 118 ILE CA C 13 61.661 0.05 . 1 . . . . . . . . 6334 1 1337 . 1 1 118 118 ILE HA H 1 3.738 0.01 . 1 . . . . . . . . 6334 1 1338 . 1 1 118 118 ILE C C 13 175.89188 0.05 . 1 . . . . . . . . 6334 1 1339 . 1 1 118 118 ILE CB C 13 37.742 0.05 . 1 . . . . . . . . 6334 1 1340 . 1 1 118 118 ILE HB H 1 1.598 0.01 . 1 . . . . . . . . 6334 1 1341 . 1 1 118 118 ILE CG2 C 13 18.332 0.05 . 1 . . . . . . . . 6334 1 1342 . 1 1 118 118 ILE HG21 H 1 0.832 0.01 . 1 . . . . . . . . 6334 1 1343 . 1 1 118 118 ILE HG22 H 1 0.832 0.01 . 1 . . . . . . . . 6334 1 1344 . 1 1 118 118 ILE HG23 H 1 0.832 0.01 . 1 . . . . . . . . 6334 1 1345 . 1 1 118 118 ILE CG1 C 13 27.555 0.05 . 1 . . . . . . . . 6334 1 1346 . 1 1 118 118 ILE HG12 H 1 1.032 0.01 . 1 . . . . . . . . 6334 1 1347 . 1 1 118 118 ILE HG13 H 1 1.032 0.01 . 1 . . . . . . . . 6334 1 1348 . 1 1 118 118 ILE CD1 C 13 12.878 0.05 . 1 . . . . . . . . 6334 1 1349 . 1 1 118 118 ILE HD11 H 1 0.07 0.01 . 1 . . . . . . . . 6334 1 1350 . 1 1 118 118 ILE HD12 H 1 0.07 0.01 . 1 . . . . . . . . 6334 1 1351 . 1 1 118 118 ILE HD13 H 1 0.07 0.01 . 1 . . . . . . . . 6334 1 1352 . 1 1 119 119 GLY H H 1 9.242 0.01 . 1 . . . . . . . . 6334 1 1353 . 1 1 119 119 GLY N N 15 119.086 0.05 . 1 . . . . . . . . 6334 1 1354 . 1 1 119 119 GLY CA C 13 44.037 0.05 . 1 . . . . . . . . 6334 1 1355 . 1 1 119 119 GLY HA2 H 1 4.409 0.01 . 1 . . . . . . . . 6334 1 1356 . 1 1 119 119 GLY HA3 H 1 3.72 0.01 . 1 . . . . . . . . 6334 1 1357 . 1 1 120 120 PRO CA C 13 62.617 0.05 . 1 . . . . . . . . 6334 1 1358 . 1 1 120 120 PRO HA H 1 4.215 0.01 . 1 . . . . . . . . 6334 1 1359 . 1 1 120 120 PRO C C 13 176.82851 0.05 . 1 . . . . . . . . 6334 1 1360 . 1 1 120 120 PRO CB C 13 32.729 0.05 . 1 . . . . . . . . 6334 1 1361 . 1 1 120 120 PRO HB2 H 1 1.642 0.01 . 1 . . . . . . . . 6334 1 1362 . 1 1 120 120 PRO HB3 H 1 2.156 0.01 . 1 . . . . . . . . 6334 1 1363 . 1 1 120 120 PRO CG C 13 27.074 0.05 . 1 . . . . . . . . 6334 1 1364 . 1 1 120 120 PRO HG2 H 1 2.018 0.01 . 1 . . . . . . . . 6334 1 1365 . 1 1 120 120 PRO HG3 H 1 1.879 0.01 . 1 . . . . . . . . 6334 1 1366 . 1 1 120 120 PRO CD C 13 49.1413 0.05 . 1 . . . . . . . . 6334 1 1367 . 1 1 120 120 PRO HD2 H 1 3.558 0.01 . 1 . . . . . . . . 6334 1 1368 . 1 1 120 120 PRO HD3 H 1 3.437 0.01 . 1 . . . . . . . . 6334 1 1369 . 1 1 121 121 ASN H H 1 8.553 0.01 . 1 . . . . . . . . 6334 1 1370 . 1 1 121 121 ASN N N 15 116.007 0.05 . 1 . . . . . . . . 6334 1 1371 . 1 1 121 121 ASN CA C 13 53.912 0.05 . 1 . . . . . . . . 6334 1 1372 . 1 1 121 121 ASN HA H 1 4.09 0.01 . 1 . . . . . . . . 6334 1 1373 . 1 1 121 121 ASN C C 13 173.5531 0.05 . 1 . . . . . . . . 6334 1 1374 . 1 1 121 121 ASN CB C 13 36.83 0.05 . 1 . . . . . . . . 6334 1 1375 . 1 1 121 121 ASN HB2 H 1 3.115 0.01 . 1 . . . . . . . . 6334 1 1376 . 1 1 121 121 ASN HB3 H 1 2.85 0.01 . 1 . . . . . . . . 6334 1 1377 . 1 1 121 121 ASN ND2 N 15 114.469 0.05 . 1 . . . . . . . . 6334 1 1378 . 1 1 121 121 ASN HD21 H 1 7.271 0.01 . 1 . . . . . . . . 6334 1 1379 . 1 1 121 121 ASN HD22 H 1 7.305 0.01 . 1 . . . . . . . . 6334 1 1380 . 1 1 122 122 GLU H H 1 8.058 0.01 . 1 . . . . . . . . 6334 1 1381 . 1 1 122 122 GLU N N 15 119.952 0.05 . 1 . . . . . . . . 6334 1 1382 . 1 1 122 122 GLU CA C 13 56.878 0.05 . 1 . . . . . . . . 6334 1 1383 . 1 1 122 122 GLU HA H 1 4.448 0.01 . 1 . . . . . . . . 6334 1 1384 . 1 1 122 122 GLU C C 13 176.62216 0.05 . 1 . . . . . . . . 6334 1 1385 . 1 1 122 122 GLU CB C 13 31.105 0.05 . 1 . . . . . . . . 6334 1 1386 . 1 1 122 122 GLU HB2 H 1 1.907 0.01 . 1 . . . . . . . . 6334 1 1387 . 1 1 122 122 GLU HB3 H 1 1.907 0.01 . 1 . . . . . . . . 6334 1 1388 . 1 1 122 122 GLU CG C 13 36.698 0.05 . 1 . . . . . . . . 6334 1 1389 . 1 1 122 122 GLU HG2 H 1 2.069 0.01 . 1 . . . . . . . . 6334 1 1390 . 1 1 122 122 GLU HG3 H 1 1.914 0.01 . 1 . . . . . . . . 6334 1 1391 . 1 1 123 123 THR H H 1 8.767 0.01 . 1 . . . . . . . . 6334 1 1392 . 1 1 123 123 THR N N 15 126.54 0.05 . 1 . . . . . . . . 6334 1 1393 . 1 1 123 123 THR CA C 13 67.716 0.05 . 1 . . . . . . . . 6334 1 1394 . 1 1 123 123 THR HA H 1 4.545 0.01 . 1 . . . . . . . . 6334 1 1395 . 1 1 123 123 THR CB C 13 64.203 0.05 . 1 . . . . . . . . 6334 1 1396 . 1 1 123 123 THR HB H 1 4.047 0.01 . 1 . . . . . . . . 6334 1 1397 . 1 1 123 123 THR HG21 H 1 1.121 0.01 . 1 . . . . . . . . 6334 1 1398 . 1 1 123 123 THR HG22 H 1 1.121 0.01 . 1 . . . . . . . . 6334 1 1399 . 1 1 123 123 THR HG23 H 1 1.121 0.01 . 1 . . . . . . . . 6334 1 1400 . 1 1 124 124 LEU H H 1 8.262 0.01 . 1 . . . . . . . . 6334 1 1401 . 1 1 124 124 LEU N N 15 123.824 0.05 . 1 . . . . . . . . 6334 1 1402 . 1 1 124 124 LEU CA C 13 53.208 0.05 . 1 . . . . . . . . 6334 1 1403 . 1 1 124 124 LEU HA H 1 5.014 0.01 . 1 . . . . . . . . 6334 1 1404 . 1 1 124 124 LEU C C 13 177.9292 0.05 . 1 . . . . . . . . 6334 1 1405 . 1 1 124 124 LEU CB C 13 47.073 0.05 . 1 . . . . . . . . 6334 1 1406 . 1 1 124 124 LEU HB2 H 1 1.682 0.01 . 1 . . . . . . . . 6334 1 1407 . 1 1 124 124 LEU HB3 H 1 1.682 0.01 . 1 . . . . . . . . 6334 1 1408 . 1 1 124 124 LEU CG C 13 27.074 0.05 . 1 . . . . . . . . 6334 1 1409 . 1 1 124 124 LEU CD1 C 13 22.101 0.05 . 1 . . . . . . . . 6334 1 1410 . 1 1 124 124 LEU HG H 1 1.812 0.01 . 1 . . . . . . . . 6334 1 1411 . 1 1 125 125 ILE H H 1 8.493 0.01 . 1 . . . . . . . . 6334 1 1412 . 1 1 125 125 ILE N N 15 120.849 0.05 . 1 . . . . . . . . 6334 1 1413 . 1 1 125 125 ILE CA C 13 60.347 0.05 . 1 . . . . . . . . 6334 1 1414 . 1 1 125 125 ILE HA H 1 5.097 0.01 . 1 . . . . . . . . 6334 1 1415 . 1 1 125 125 ILE C C 13 175.65128 0.05 . 1 . . . . . . . . 6334 1 1416 . 1 1 125 125 ILE CB C 13 40.515 0.05 . 1 . . . . . . . . 6334 1 1417 . 1 1 125 125 ILE HB H 1 1.563 0.01 . 1 . . . . . . . . 6334 1 1418 . 1 1 125 125 ILE CG2 C 13 17.851 0.05 . 1 . . . . . . . . 6334 1 1419 . 1 1 125 125 ILE HG21 H 1 0.73 0.01 . 1 . . . . . . . . 6334 1 1420 . 1 1 125 125 ILE HG22 H 1 0.73 0.01 . 1 . . . . . . . . 6334 1 1421 . 1 1 125 125 ILE HG23 H 1 0.73 0.01 . 1 . . . . . . . . 6334 1 1422 . 1 1 125 125 ILE CG1 C 13 28.437 0.05 . 1 . . . . . . . . 6334 1 1423 . 1 1 125 125 ILE HG12 H 1 1.406 0.01 . 1 . . . . . . . . 6334 1 1424 . 1 1 125 125 ILE HG13 H 1 1.097 0.01 . 1 . . . . . . . . 6334 1 1425 . 1 1 125 125 ILE CD1 C 13 15.605 0.05 . 1 . . . . . . . . 6334 1 1426 . 1 1 125 125 ILE HD11 H 1 0.587 0.01 . 1 . . . . . . . . 6334 1 1427 . 1 1 125 125 ILE HD12 H 1 0.587 0.01 . 1 . . . . . . . . 6334 1 1428 . 1 1 125 125 ILE HD13 H 1 0.587 0.01 . 1 . . . . . . . . 6334 1 1429 . 1 1 126 126 PHE H H 1 9.194 0.01 . 1 . . . . . . . . 6334 1 1430 . 1 1 126 126 PHE N N 15 120.598 0.05 . 1 . . . . . . . . 6334 1 1431 . 1 1 126 126 PHE CA C 13 55.233 0.05 . 1 . . . . . . . . 6334 1 1432 . 1 1 126 126 PHE HA H 1 5.999 0.01 . 1 . . . . . . . . 6334 1 1433 . 1 1 126 126 PHE C C 13 174.6563 0.05 . 1 . . . . . . . . 6334 1 1434 . 1 1 126 126 PHE CB C 13 42.967 0.05 . 1 . . . . . . . . 6334 1 1435 . 1 1 126 126 PHE HB2 H 1 2.736 0.01 . 1 . . . . . . . . 6334 1 1436 . 1 1 126 126 PHE HB3 H 1 2.736 0.01 . 1 . . . . . . . . 6334 1 1437 . 1 1 126 126 PHE CD1 C 13 132.4153 0.05 . 1 . . . . . . . . 6334 1 1438 . 1 1 126 126 PHE HD1 H 1 7.359 0.01 . 1 . . . . . . . . 6334 1 1439 . 1 1 126 126 PHE CD2 C 13 132.4153 0.05 . 1 . . . . . . . . 6334 1 1440 . 1 1 126 126 PHE HD2 H 1 7.359 0.01 . 1 . . . . . . . . 6334 1 1441 . 1 1 126 126 PHE CE1 C 13 132.4153 0.05 . 1 . . . . . . . . 6334 1 1442 . 1 1 126 126 PHE HE1 H 1 7.578 0.01 . 1 . . . . . . . . 6334 1 1443 . 1 1 126 126 PHE CE2 C 13 132.4153 0.05 . 1 . . . . . . . . 6334 1 1444 . 1 1 126 126 PHE HE2 H 1 7.578 0.01 . 1 . . . . . . . . 6334 1 1445 . 1 1 127 127 LYS H H 1 8.806 0.01 . 1 . . . . . . . . 6334 1 1446 . 1 1 127 127 LYS N N 15 124.373 0.05 . 1 . . . . . . . . 6334 1 1447 . 1 1 127 127 LYS CA C 13 56.041 0.05 . 1 . . . . . . . . 6334 1 1448 . 1 1 127 127 LYS HA H 1 5.185 0.01 . 1 . . . . . . . . 6334 1 1449 . 1 1 127 127 LYS C C 13 175.77391 0.05 . 1 . . . . . . . . 6334 1 1450 . 1 1 127 127 LYS CB C 13 34.008 0.05 . 1 . . . . . . . . 6334 1 1451 . 1 1 127 127 LYS HB2 H 1 1.898 0.01 . 1 . . . . . . . . 6334 1 1452 . 1 1 127 127 LYS HB3 H 1 1.791 0.01 . 1 . . . . . . . . 6334 1 1453 . 1 1 127 127 LYS CG C 13 29.7264 0.05 . 1 . . . . . . . . 6334 1 1454 . 1 1 127 127 LYS HG2 H 1 1.664 0.01 . 1 . . . . . . . . 6334 1 1455 . 1 1 127 127 LYS HG3 H 1 1.664 0.01 . 1 . . . . . . . . 6334 1 1456 . 1 1 127 127 LYS CD C 13 25.711 0.05 . 1 . . . . . . . . 6334 1 1457 . 1 1 127 127 LYS HD2 H 1 1.273 0.01 . 1 . . . . . . . . 6334 1 1458 . 1 1 127 127 LYS HD3 H 1 1.273 0.01 . 1 . . . . . . . . 6334 1 1459 . 1 1 127 127 LYS CE C 13 41.7582 0.05 . 1 . . . . . . . . 6334 1 1460 . 1 1 127 127 LYS HE2 H 1 2.845 0.01 . 1 . . . . . . . . 6334 1 1461 . 1 1 127 127 LYS HE3 H 1 2.845 0.01 . 1 . . . . . . . . 6334 1 1462 . 1 1 128 128 ILE H H 1 9.238 0.01 . 1 . . . . . . . . 6334 1 1463 . 1 1 128 128 ILE N N 15 124.941 0.05 . 1 . . . . . . . . 6334 1 1464 . 1 1 128 128 ILE CA C 13 60.442 0.05 . 1 . . . . . . . . 6334 1 1465 . 1 1 128 128 ILE HA H 1 4.712 0.01 . 1 . . . . . . . . 6334 1 1466 . 1 1 128 128 ILE C C 13 173.12968 0.05 . 1 . . . . . . . . 6334 1 1467 . 1 1 128 128 ILE CB C 13 42.087 0.05 . 1 . . . . . . . . 6334 1 1468 . 1 1 128 128 ILE HB H 1 1.307 0.01 . 1 . . . . . . . . 6334 1 1469 . 1 1 128 128 ILE CG2 C 13 16.324 0.05 . 1 . . . . . . . . 6334 1 1470 . 1 1 128 128 ILE HG21 H 1 0.416 0.01 . 1 . . . . . . . . 6334 1 1471 . 1 1 128 128 ILE HG22 H 1 0.416 0.01 . 1 . . . . . . . . 6334 1 1472 . 1 1 128 128 ILE HG23 H 1 0.416 0.01 . 1 . . . . . . . . 6334 1 1473 . 1 1 128 128 ILE CG1 C 13 27.475 0.05 . 1 . . . . . . . . 6334 1 1474 . 1 1 128 128 ILE HG12 H 1 1.192 0.01 . 1 . . . . . . . . 6334 1 1475 . 1 1 128 128 ILE HG13 H 1 0.312 0.01 . 1 . . . . . . . . 6334 1 1476 . 1 1 128 128 ILE CD1 C 13 11.947 0.05 . 1 . . . . . . . . 6334 1 1477 . 1 1 128 128 ILE HD11 H 1 -0.62 0.01 . 1 . . . . . . . . 6334 1 1478 . 1 1 128 128 ILE HD12 H 1 -0.62 0.01 . 1 . . . . . . . . 6334 1 1479 . 1 1 128 128 ILE HD13 H 1 -0.62 0.01 . 1 . . . . . . . . 6334 1 1480 . 1 1 129 129 HIS H H 1 9.324 0.01 . 1 . . . . . . . . 6334 1 1481 . 1 1 129 129 HIS N N 15 127.028 0.05 . 1 . . . . . . . . 6334 1 1482 . 1 1 129 129 HIS CA C 13 52.193 0.05 . 1 . . . . . . . . 6334 1 1483 . 1 1 129 129 HIS HA H 1 5.744 0.01 . 1 . . . . . . . . 6334 1 1484 . 1 1 129 129 HIS C C 13 174.01663 0.05 . 1 . . . . . . . . 6334 1 1485 . 1 1 129 129 HIS CB C 13 31.509 0.05 . 1 . . . . . . . . 6334 1 1486 . 1 1 129 129 HIS HB2 H 1 3.2833 0.01 . 1 . . . . . . . . 6334 1 1487 . 1 1 129 129 HIS HB3 H 1 3.2833 0.01 . 1 . . . . . . . . 6334 1 1488 . 1 1 130 130 LEU H H 1 8.503 0.01 . 1 . . . . . . . . 6334 1 1489 . 1 1 130 130 LEU N N 15 129.054 0.05 . 1 . . . . . . . . 6334 1 1490 . 1 1 130 130 LEU CA C 13 54.207 0.05 . 1 . . . . . . . . 6334 1 1491 . 1 1 130 130 LEU HA H 1 4.377 0.01 . 1 . . . . . . . . 6334 1 1492 . 1 1 130 130 LEU C C 13 173.70657 0.05 . 1 . . . . . . . . 6334 1 1493 . 1 1 130 130 LEU CB C 13 42.227 0.05 . 1 . . . . . . . . 6334 1 1494 . 1 1 130 130 LEU HB2 H 1 1.801 0.01 . 1 . . . . . . . . 6334 1 1495 . 1 1 130 130 LEU HB3 H 1 0.972 0.01 . 1 . . . . . . . . 6334 1 1496 . 1 1 130 130 LEU CG C 13 28.3591 0.05 . 1 . . . . . . . . 6334 1 1497 . 1 1 130 130 LEU CD1 C 13 24.0728 0.05 . 1 . . . . . . . . 6334 1 1498 . 1 1 130 130 LEU HD11 H 1 0.768 0.01 . 1 . . . . . . . . 6334 1 1499 . 1 1 130 130 LEU HD12 H 1 0.768 0.01 . 1 . . . . . . . . 6334 1 1500 . 1 1 130 130 LEU HD13 H 1 0.768 0.01 . 1 . . . . . . . . 6334 1 1501 . 1 1 130 130 LEU CD2 C 13 27.26 0.05 . 1 . . . . . . . . 6334 1 1502 . 1 1 130 130 LEU HD21 H 1 0.608 0.01 . 1 . . . . . . . . 6334 1 1503 . 1 1 130 130 LEU HD22 H 1 0.608 0.01 . 1 . . . . . . . . 6334 1 1504 . 1 1 130 130 LEU HD23 H 1 0.608 0.01 . 1 . . . . . . . . 6334 1 1505 . 1 1 130 130 LEU HG H 1 1.105 0.01 . 1 . . . . . . . . 6334 1 1506 . 1 1 131 131 ILE H H 1 8.602 0.01 . 1 . . . . . . . . 6334 1 1507 . 1 1 131 131 ILE N N 15 129.807 0.05 . 1 . . . . . . . . 6334 1 1508 . 1 1 131 131 ILE CA C 13 63.814 0.05 . 1 . . . . . . . . 6334 1 1509 . 1 1 131 131 ILE HA H 1 3.534 0.01 . 1 . . . . . . . . 6334 1 1510 . 1 1 131 131 ILE C C 13 176.54662 0.05 . 1 . . . . . . . . 6334 1 1511 . 1 1 131 131 ILE CB C 13 38.61 0.05 . 1 . . . . . . . . 6334 1 1512 . 1 1 131 131 ILE HB H 1 1.387 0.01 . 1 . . . . . . . . 6334 1 1513 . 1 1 131 131 ILE CG2 C 13 16.808 0.05 . 1 . . . . . . . . 6334 1 1514 . 1 1 131 131 ILE HG21 H 1 0.789 0.01 . 1 . . . . . . . . 6334 1 1515 . 1 1 131 131 ILE HG22 H 1 0.789 0.01 . 1 . . . . . . . . 6334 1 1516 . 1 1 131 131 ILE HG23 H 1 0.789 0.01 . 1 . . . . . . . . 6334 1 1517 . 1 1 131 131 ILE CG1 C 13 27.796 0.05 . 1 . . . . . . . . 6334 1 1518 . 1 1 131 131 ILE HG12 H 1 0.453 0.01 . 1 . . . . . . . . 6334 1 1519 . 1 1 131 131 ILE HG13 H 1 0.453 0.01 . 1 . . . . . . . . 6334 1 1520 . 1 1 131 131 ILE CD1 C 13 13.921 0.05 . 1 . . . . . . . . 6334 1 1521 . 1 1 131 131 ILE HD11 H 1 1.02 0.01 . 1 . . . . . . . . 6334 1 1522 . 1 1 131 131 ILE HD12 H 1 1.02 0.01 . 1 . . . . . . . . 6334 1 1523 . 1 1 131 131 ILE HD13 H 1 1.02 0.01 . 1 . . . . . . . . 6334 1 1524 . 1 1 132 132 SER H H 1 7.487 0.01 . 1 . . . . . . . . 6334 1 1525 . 1 1 132 132 SER N N 15 108.837 0.05 . 1 . . . . . . . . 6334 1 1526 . 1 1 132 132 SER CA C 13 56.962 0.05 . 1 . . . . . . . . 6334 1 1527 . 1 1 132 132 SER HA H 1 4.672 0.01 . 1 . . . . . . . . 6334 1 1528 . 1 1 132 132 SER C C 13 171.11792 0.05 . 1 . . . . . . . . 6334 1 1529 . 1 1 132 132 SER CB C 13 65.28 0.05 . 1 . . . . . . . . 6334 1 1530 . 1 1 132 132 SER HB2 H 1 3.72 0.01 . 1 . . . . . . . . 6334 1 1531 . 1 1 132 132 SER HB3 H 1 3.72 0.01 . 1 . . . . . . . . 6334 1 1532 . 1 1 133 133 VAL H H 1 8.355 0.01 . 1 . . . . . . . . 6334 1 1533 . 1 1 133 133 VAL N N 15 120.587 0.05 . 1 . . . . . . . . 6334 1 1534 . 1 1 133 133 VAL CA C 13 60.994 0.05 . 1 . . . . . . . . 6334 1 1535 . 1 1 133 133 VAL HA H 1 4.452 0.01 . 1 . . . . . . . . 6334 1 1536 . 1 1 133 133 VAL C C 13 174.33006 0.05 . 1 . . . . . . . . 6334 1 1537 . 1 1 133 133 VAL CB C 13 34.997 0.05 . 1 . . . . . . . . 6334 1 1538 . 1 1 133 133 VAL HB H 1 1.704 0.01 . 1 . . . . . . . . 6334 1 1539 . 1 1 133 133 VAL CG1 C 13 21.781 0.05 . 1 . . . . . . . . 6334 1 1540 . 1 1 133 133 VAL HG11 H 1 0.75 0.01 . 1 . . . . . . . . 6334 1 1541 . 1 1 133 133 VAL HG12 H 1 0.75 0.01 . 1 . . . . . . . . 6334 1 1542 . 1 1 133 133 VAL HG13 H 1 0.75 0.01 . 1 . . . . . . . . 6334 1 1543 . 1 1 133 133 VAL CG2 C 13 21.781 0.05 . 1 . . . . . . . . 6334 1 1544 . 1 1 133 133 VAL HG21 H 1 0.75 0.01 . 1 . . . . . . . . 6334 1 1545 . 1 1 133 133 VAL HG22 H 1 0.75 0.01 . 1 . . . . . . . . 6334 1 1546 . 1 1 133 133 VAL HG23 H 1 0.75 0.01 . 1 . . . . . . . . 6334 1 1547 . 1 1 134 134 LYS H H 1 9.093 0.01 . 1 . . . . . . . . 6334 1 1548 . 1 1 134 134 LYS N N 15 129.305 0.05 . 1 . . . . . . . . 6334 1 1549 . 1 1 134 134 LYS CA C 13 54.891 0.05 . 1 . . . . . . . . 6334 1 1550 . 1 1 134 134 LYS HA H 1 4.562 0.01 . 1 . . . . . . . . 6334 1 1551 . 1 1 134 134 LYS C C 13 175.24149 0.05 . 1 . . . . . . . . 6334 1 1552 . 1 1 134 134 LYS CB C 13 34.266 0.05 . 1 . . . . . . . . 6334 1 1553 . 1 1 134 134 LYS HB2 H 1 1.711 0.01 . 1 . . . . . . . . 6334 1 1554 . 1 1 134 134 LYS HB3 H 1 1.556 0.01 . 1 . . . . . . . . 6334 1 1555 . 1 1 134 134 LYS CG C 13 24.668 0.05 . 1 . . . . . . . . 6334 1 1556 . 1 1 134 134 LYS HG2 H 1 1.299 0.01 . 1 . . . . . . . . 6334 1 1557 . 1 1 134 134 LYS HG3 H 1 1.299 0.01 . 1 . . . . . . . . 6334 1 1558 . 1 1 134 134 LYS CD C 13 29.239 0.05 . 1 . . . . . . . . 6334 1 1559 . 1 1 134 134 LYS HD2 H 1 1.584 0.01 . 1 . . . . . . . . 6334 1 1560 . 1 1 134 134 LYS HD3 H 1 1.584 0.01 . 1 . . . . . . . . 6334 1 1561 . 1 1 134 134 LYS CE C 13 42.072 0.05 . 1 . . . . . . . . 6334 1 1562 . 1 1 134 134 LYS HE2 H 1 2.916 0.01 . 1 . . . . . . . . 6334 1 1563 . 1 1 134 134 LYS HE3 H 1 2.916 0.01 . 1 . . . . . . . . 6334 1 1564 . 1 1 135 135 LYS H H 1 8.623 0.01 . 1 . . . . . . . . 6334 1 1565 . 1 1 135 135 LYS N N 15 126.827 0.05 . 1 . . . . . . . . 6334 1 1566 . 1 1 135 135 LYS CA C 13 55.836 0.05 . 1 . . . . . . . . 6334 1 1567 . 1 1 135 135 LYS HA H 1 4.363 0.01 . 1 . . . . . . . . 6334 1 1568 . 1 1 135 135 LYS C C 13 177.33411 0.05 . 1 . . . . . . . . 6334 1 1569 . 1 1 135 135 LYS CB C 13 32.717 0.05 . 1 . . . . . . . . 6334 1 1570 . 1 1 135 135 LYS HB2 H 1 1.848 0.01 . 1 . . . . . . . . 6334 1 1571 . 1 1 135 135 LYS HB3 H 1 1.771 0.01 . 1 . . . . . . . . 6334 1 1572 . 1 1 135 135 LYS CG C 13 24.828 0.05 . 1 . . . . . . . . 6334 1 1573 . 1 1 135 135 LYS HG2 H 1 1.492 0.01 . 1 . . . . . . . . 6334 1 1574 . 1 1 135 135 LYS HG3 H 1 1.492 0.01 . 1 . . . . . . . . 6334 1 1575 . 1 1 135 135 LYS CD C 13 28.678 0.05 . 1 . . . . . . . . 6334 1 1576 . 1 1 135 135 LYS HD2 H 1 1.715 0.01 . 1 . . . . . . . . 6334 1 1577 . 1 1 135 135 LYS HD3 H 1 1.715 0.01 . 1 . . . . . . . . 6334 1 1578 . 1 1 135 135 LYS CE C 13 42.0316 0.05 . 1 . . . . . . . . 6334 1 1579 . 1 1 135 135 LYS HE2 H 1 2.945 0.01 . 1 . . . . . . . . 6334 1 1580 . 1 1 135 135 LYS HE3 H 1 2.945 0.01 . 1 . . . . . . . . 6334 1 1581 . 1 1 136 136 SER H H 1 8.718 0.01 . 1 . . . . . . . . 6334 1 1582 . 1 1 136 136 SER N N 15 119.152 0.05 . 1 . . . . . . . . 6334 1 1583 . 1 1 136 136 SER CA C 13 58.537 0.05 . 1 . . . . . . . . 6334 1 1584 . 1 1 136 136 SER HA H 1 4.465 0.01 . 1 . . . . . . . . 6334 1 1585 . 1 1 136 136 SER C C 13 173.81644 0.05 . 1 . . . . . . . . 6334 1 1586 . 1 1 136 136 SER CB C 13 63.947 0.05 . 1 . . . . . . . . 6334 1 1587 . 1 1 136 136 SER HB2 H 1 3.909 0.01 . 1 . . . . . . . . 6334 1 1588 . 1 1 136 136 SER HB3 H 1 3.909 0.01 . 1 . . . . . . . . 6334 1 1589 . 1 1 137 137 SER H H 1 7.974 0.01 . 1 . . . . . . . . 6334 1 1590 . 1 1 137 137 SER N N 15 123.245 0.05 . 1 . . . . . . . . 6334 1 1591 . 1 1 137 137 SER CA C 13 60.3 0.05 . 1 . . . . . . . . 6334 1 1592 . 1 1 137 137 SER HA H 1 4.267 0.01 . 1 . . . . . . . . 6334 1 1593 . 1 1 137 137 SER CB C 13 64.967 0.05 . 1 . . . . . . . . 6334 1 1594 . 1 1 137 137 SER HB2 H 1 3.845 0.01 . 1 . . . . . . . . 6334 1 1595 . 1 1 137 137 SER HB3 H 1 3.845 0.01 . 1 . . . . . . . . 6334 1 stop_ save_