data_15280 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15280 _Entry.Title ; 1H, 13C and 15N resonance assignment of the oxidized form (Cys67-Cys70) of the N-terminal domain of PilB from Neisseria meningitidis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-05 _Entry.Accession_date 2007-06-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Marc Quinternet . . . 15280 2 Chrystel Beaufils . . . 15280 3 Fabrice Neiers . . . 15280 4 Pascale Tsan . . . 15280 5 Sandrine Boschi-Muller . . . 15280 6 Marie-Christine Averlant-petit . . . 15280 7 Guy Branlant . . . 15280 8 Manh-Thong Cung . . . 15280 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15280 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 541 15280 '15N chemical shifts' 134 15280 '1H chemical shifts' 854 15280 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 3 . . 2009-08-12 2007-06-05 update BMRB 'added PubMed ID' 15280 2 . . 2008-10-17 2007-06-05 update BMRB 'complete entry citation' 15280 1 . . 2007-07-18 2007-06-05 original author 'original release' 15280 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6709 'reduced form of the N-terminal domain of PilB' 15280 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15280 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636850 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignment of the oxidized form (Cys(67)-Cys (70)) of the N-terminal domain of PilB from Neisseria meningitidis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 1 _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 143 _Citation.Page_last 145 _Citation.Year 2007 _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 Marc Quinternet . . . 15280 1 2 Chrystel Beaufils . . . 15280 1 3 Fabrice Neiers . . . 15280 1 4 Pascale Tsan . . . 15280 1 5 Sandrine Boschi-Muller . . . 15280 1 6 Marie-Christine Averlant-Petit . . . 15280 1 7 Guy Branlant . . . 15280 1 8 Manh-Thong Cung . . . 15280 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Neisseria meningitidis' 15280 1 'N-terminal domain of PilB' 15280 1 'resonance assignment' 15280 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15280 _Assembly.ID 1 _Assembly.Name Dsbe_ox _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Dsbe_ox 1 $Dsbe_ox A . yes native no no . . . 15280 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 Dsbe_ox 1 CYS 36 36 SG . 1 Dsbe_ox 1 CYS 39 39 SG . . . . . . . . . . 15280 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Dsbe_ox _Entity.Sf_category entity _Entity.Sf_framecode Dsbe_ox _Entity.Entry_ID 15280 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Dsbe_ox _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 ; MVPHTLSTLKTADNRPASVY LKKDKPTLIKFWASWCPLCL SELGQTEKWAQDAKFSSANL ITVASPGFLHEKKDGDFQKW YAGLNYPKLPVVTDNGGTIA QSLNISVYPSWALIGKDGDV QRIVKGSINEAQALALIRDP NADL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2FY6 . "Structure Of The N-Terminal Domain Of Neisseria Meningitidis Pilb" . . . . . 99.31 143 100.00 100.00 4.17e-99 . . . . 15280 1 2 no PDB 2JZR . "Solution Structure Of The Oxidized Form (Cys67-Cys70) Of The N-Terminal Domain Of Pilb From N. Meningitidis." . . . . . 100.00 144 100.00 100.00 5.35e-100 . . . . 15280 1 3 no PDB 2JZS . "Solution Structure Of The Reduced Form Of The N-Terminal Domain Of Pilb From N. Meningitidis." . . . . . 100.00 144 100.00 100.00 5.35e-100 . . . . 15280 1 4 no PDB 2K9F . "Structural Features Of The Complex Between The Dsbd N- Terminal And The Pilb N-Terminal Domains From Neisseria Meningitidis" . . . . . 100.00 144 100.00 100.00 5.35e-100 . . . . 15280 1 5 no EMBL CAA32146 . "unnamed protein product [Neisseria gonorrhoeae]" . . . . . 99.31 521 97.20 99.30 6.82e-93 . . . . 15280 1 6 no EMBL CAM07595 . "peptide methionine sulfoxide reductase [Neisseria meningitidis Z2491]" . . . . . 99.31 522 100.00 100.00 1.10e-95 . . . . 15280 1 7 no EMBL CAM09346 . "peptide methionine sulfoxide reductase [Neisseria meningitidis FAM18]" . . . . . 99.31 522 100.00 100.00 1.10e-95 . . . . 15280 1 8 no EMBL CAX49031 . "peptide methionine sulfoxide reductase MsrA/MsrB [includes: thioredoxin, peptide methionine sulfoxide reductase MsrA (protein-m" . . . . . 99.31 522 100.00 100.00 1.10e-95 . . . . 15280 1 9 no EMBL CBA03711 . "Peptide methionine sulfoxide reductase [Neisseria meningitidis alpha153]" . . . . . 52.78 422 98.68 100.00 2.62e-43 . . . . 15280 1 10 no GB AAB97511 . "putative gonococcal sensor kinase [Neisseria meningitidis]" . . . . . 99.31 351 100.00 100.00 3.05e-97 . . . . 15280 1 11 no GB AAF40515 . "peptide methionine sulfoxide reductase [Neisseria meningitidis MC58]" . . . . . 99.31 522 99.30 99.30 1.04e-94 . . . . 15280 1 12 no GB AAL89752 . "methionine sulfoxide reductase PilB [Neisseria gonorrhoeae]" . . . . . 99.31 522 97.20 99.30 3.96e-93 . . . . 15280 1 13 no GB AAW90666 . "trifunctional thioredoxin/methionine sulfoxide reductase A/B protein [Neisseria gonorrhoeae FA 1090]" . . . . . 99.31 522 97.20 99.30 4.23e-93 . . . . 15280 1 14 no GB ABX72275 . "peptide methionine sulfoxide reductase [Neisseria meningitidis 053442]" . . . . . 99.31 522 100.00 100.00 1.10e-95 . . . . 15280 1 15 no REF NP_273110 . "trifunctional thioredoxin/methionine sulfoxide reductase A/B protein [Neisseria meningitidis MC58]" . . . . . 99.31 522 99.30 99.30 1.04e-94 . . . . 15280 1 16 no REF WP_002216163 . "peptide methionine sulfoxide reductase MsrA/MsrB [Neisseria meningitidis]" . . . . . 99.31 522 100.00 100.00 1.10e-95 . . . . 15280 1 17 no REF WP_002218473 . "peptide methionine sulfoxide reductase msrA/msrB, partial [Neisseria meningitidis]" . . . . . 98.61 488 99.30 100.00 9.89e-95 . . . . 15280 1 18 no REF WP_002221795 . "methionine sulfoxide reductase [Neisseria meningitidis]" . . . . . 99.31 522 100.00 100.00 1.28e-95 . . . . 15280 1 19 no REF WP_002223263 . "peptide methionine sulfoxide reductase MsrA/MsrB [Neisseria meningitidis]" . . . . . 99.31 522 100.00 100.00 1.20e-95 . . . . 15280 1 20 no SP P14930 . "RecName: Full=Peptide methionine sulfoxide reductase MsrA/MsrB; Includes: RecName: Full=Thioredoxin; Includes: RecName: Full=Pe" . . . . . 99.31 522 97.20 99.30 3.96e-93 . . . . 15280 1 21 no SP Q9JWM8 . "RecName: Full=Peptide methionine sulfoxide reductase MsrA/MsrB; Includes: RecName: Full=Thioredoxin; Includes: RecName: Full=Pe" . . . . . 99.31 522 100.00 100.00 1.10e-95 . . . . 15280 1 22 no SP Q9K1N8 . "RecName: Full=Peptide methionine sulfoxide reductase MsrA/MsrB; Includes: RecName: Full=Thioredoxin; Includes: RecName: Full=Pe" . . . . . 99.31 522 99.30 99.30 1.04e-94 . . . . 15280 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 32 MET . 15280 1 2 33 VAL . 15280 1 3 34 PRO . 15280 1 4 35 HIS . 15280 1 5 36 THR . 15280 1 6 37 LEU . 15280 1 7 38 SER . 15280 1 8 39 THR . 15280 1 9 40 LEU . 15280 1 10 41 LYS . 15280 1 11 42 THR . 15280 1 12 43 ALA . 15280 1 13 44 ASP . 15280 1 14 45 ASN . 15280 1 15 46 ARG . 15280 1 16 47 PRO . 15280 1 17 48 ALA . 15280 1 18 49 SER . 15280 1 19 50 VAL . 15280 1 20 51 TYR . 15280 1 21 52 LEU . 15280 1 22 53 LYS . 15280 1 23 54 LYS . 15280 1 24 55 ASP . 15280 1 25 56 LYS . 15280 1 26 57 PRO . 15280 1 27 58 THR . 15280 1 28 59 LEU . 15280 1 29 60 ILE . 15280 1 30 61 LYS . 15280 1 31 62 PHE . 15280 1 32 63 TRP . 15280 1 33 64 ALA . 15280 1 34 65 SER . 15280 1 35 66 TRP . 15280 1 36 67 CYS . 15280 1 37 68 PRO . 15280 1 38 69 LEU . 15280 1 39 70 CYS . 15280 1 40 71 LEU . 15280 1 41 72 SER . 15280 1 42 73 GLU . 15280 1 43 74 LEU . 15280 1 44 75 GLY . 15280 1 45 76 GLN . 15280 1 46 77 THR . 15280 1 47 78 GLU . 15280 1 48 79 LYS . 15280 1 49 80 TRP . 15280 1 50 81 ALA . 15280 1 51 82 GLN . 15280 1 52 83 ASP . 15280 1 53 84 ALA . 15280 1 54 85 LYS . 15280 1 55 86 PHE . 15280 1 56 87 SER . 15280 1 57 88 SER . 15280 1 58 89 ALA . 15280 1 59 90 ASN . 15280 1 60 91 LEU . 15280 1 61 92 ILE . 15280 1 62 93 THR . 15280 1 63 94 VAL . 15280 1 64 95 ALA . 15280 1 65 96 SER . 15280 1 66 97 PRO . 15280 1 67 98 GLY . 15280 1 68 99 PHE . 15280 1 69 100 LEU . 15280 1 70 101 HIS . 15280 1 71 102 GLU . 15280 1 72 103 LYS . 15280 1 73 104 LYS . 15280 1 74 105 ASP . 15280 1 75 106 GLY . 15280 1 76 107 ASP . 15280 1 77 108 PHE . 15280 1 78 109 GLN . 15280 1 79 110 LYS . 15280 1 80 111 TRP . 15280 1 81 112 TYR . 15280 1 82 113 ALA . 15280 1 83 114 GLY . 15280 1 84 115 LEU . 15280 1 85 116 ASN . 15280 1 86 117 TYR . 15280 1 87 118 PRO . 15280 1 88 119 LYS . 15280 1 89 120 LEU . 15280 1 90 121 PRO . 15280 1 91 122 VAL . 15280 1 92 123 VAL . 15280 1 93 124 THR . 15280 1 94 125 ASP . 15280 1 95 126 ASN . 15280 1 96 127 GLY . 15280 1 97 128 GLY . 15280 1 98 129 THR . 15280 1 99 130 ILE . 15280 1 100 131 ALA . 15280 1 101 132 GLN . 15280 1 102 133 SER . 15280 1 103 134 LEU . 15280 1 104 135 ASN . 15280 1 105 136 ILE . 15280 1 106 137 SER . 15280 1 107 138 VAL . 15280 1 108 139 TYR . 15280 1 109 140 PRO . 15280 1 110 141 SER . 15280 1 111 142 TRP . 15280 1 112 143 ALA . 15280 1 113 144 LEU . 15280 1 114 145 ILE . 15280 1 115 146 GLY . 15280 1 116 147 LYS . 15280 1 117 148 ASP . 15280 1 118 149 GLY . 15280 1 119 150 ASP . 15280 1 120 151 VAL . 15280 1 121 152 GLN . 15280 1 122 153 ARG . 15280 1 123 154 ILE . 15280 1 124 155 VAL . 15280 1 125 156 LYS . 15280 1 126 157 GLY . 15280 1 127 158 SER . 15280 1 128 159 ILE . 15280 1 129 160 ASN . 15280 1 130 161 GLU . 15280 1 131 162 ALA . 15280 1 132 163 GLN . 15280 1 133 164 ALA . 15280 1 134 165 LEU . 15280 1 135 166 ALA . 15280 1 136 167 LEU . 15280 1 137 168 ILE . 15280 1 138 169 ARG . 15280 1 139 170 ASP . 15280 1 140 171 PRO . 15280 1 141 172 ASN . 15280 1 142 173 ALA . 15280 1 143 174 ASP . 15280 1 144 175 LEU . 15280 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15280 1 . VAL 2 2 15280 1 . PRO 3 3 15280 1 . HIS 4 4 15280 1 . THR 5 5 15280 1 . LEU 6 6 15280 1 . SER 7 7 15280 1 . THR 8 8 15280 1 . LEU 9 9 15280 1 . LYS 10 10 15280 1 . THR 11 11 15280 1 . ALA 12 12 15280 1 . ASP 13 13 15280 1 . ASN 14 14 15280 1 . ARG 15 15 15280 1 . PRO 16 16 15280 1 . ALA 17 17 15280 1 . SER 18 18 15280 1 . VAL 19 19 15280 1 . TYR 20 20 15280 1 . LEU 21 21 15280 1 . LYS 22 22 15280 1 . LYS 23 23 15280 1 . ASP 24 24 15280 1 . LYS 25 25 15280 1 . PRO 26 26 15280 1 . THR 27 27 15280 1 . LEU 28 28 15280 1 . ILE 29 29 15280 1 . LYS 30 30 15280 1 . PHE 31 31 15280 1 . TRP 32 32 15280 1 . ALA 33 33 15280 1 . SER 34 34 15280 1 . TRP 35 35 15280 1 . CYS 36 36 15280 1 . PRO 37 37 15280 1 . LEU 38 38 15280 1 . CYS 39 39 15280 1 . LEU 40 40 15280 1 . SER 41 41 15280 1 . GLU 42 42 15280 1 . LEU 43 43 15280 1 . GLY 44 44 15280 1 . GLN 45 45 15280 1 . THR 46 46 15280 1 . GLU 47 47 15280 1 . LYS 48 48 15280 1 . TRP 49 49 15280 1 . ALA 50 50 15280 1 . GLN 51 51 15280 1 . ASP 52 52 15280 1 . ALA 53 53 15280 1 . LYS 54 54 15280 1 . PHE 55 55 15280 1 . SER 56 56 15280 1 . SER 57 57 15280 1 . ALA 58 58 15280 1 . ASN 59 59 15280 1 . LEU 60 60 15280 1 . ILE 61 61 15280 1 . THR 62 62 15280 1 . VAL 63 63 15280 1 . ALA 64 64 15280 1 . SER 65 65 15280 1 . PRO 66 66 15280 1 . GLY 67 67 15280 1 . PHE 68 68 15280 1 . LEU 69 69 15280 1 . HIS 70 70 15280 1 . GLU 71 71 15280 1 . LYS 72 72 15280 1 . LYS 73 73 15280 1 . ASP 74 74 15280 1 . GLY 75 75 15280 1 . ASP 76 76 15280 1 . PHE 77 77 15280 1 . GLN 78 78 15280 1 . LYS 79 79 15280 1 . TRP 80 80 15280 1 . TYR 81 81 15280 1 . ALA 82 82 15280 1 . GLY 83 83 15280 1 . LEU 84 84 15280 1 . ASN 85 85 15280 1 . TYR 86 86 15280 1 . PRO 87 87 15280 1 . LYS 88 88 15280 1 . LEU 89 89 15280 1 . PRO 90 90 15280 1 . VAL 91 91 15280 1 . VAL 92 92 15280 1 . THR 93 93 15280 1 . ASP 94 94 15280 1 . ASN 95 95 15280 1 . GLY 96 96 15280 1 . GLY 97 97 15280 1 . THR 98 98 15280 1 . ILE 99 99 15280 1 . ALA 100 100 15280 1 . GLN 101 101 15280 1 . SER 102 102 15280 1 . LEU 103 103 15280 1 . ASN 104 104 15280 1 . ILE 105 105 15280 1 . SER 106 106 15280 1 . VAL 107 107 15280 1 . TYR 108 108 15280 1 . PRO 109 109 15280 1 . SER 110 110 15280 1 . TRP 111 111 15280 1 . ALA 112 112 15280 1 . LEU 113 113 15280 1 . ILE 114 114 15280 1 . GLY 115 115 15280 1 . LYS 116 116 15280 1 . ASP 117 117 15280 1 . GLY 118 118 15280 1 . ASP 119 119 15280 1 . VAL 120 120 15280 1 . GLN 121 121 15280 1 . ARG 122 122 15280 1 . ILE 123 123 15280 1 . VAL 124 124 15280 1 . LYS 125 125 15280 1 . GLY 126 126 15280 1 . SER 127 127 15280 1 . ILE 128 128 15280 1 . ASN 129 129 15280 1 . GLU 130 130 15280 1 . ALA 131 131 15280 1 . GLN 132 132 15280 1 . ALA 133 133 15280 1 . LEU 134 134 15280 1 . ALA 135 135 15280 1 . LEU 136 136 15280 1 . ILE 137 137 15280 1 . ARG 138 138 15280 1 . ASP 139 139 15280 1 . PRO 140 140 15280 1 . ASN 141 141 15280 1 . ALA 142 142 15280 1 . ASP 143 143 15280 1 . LEU 144 144 15280 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 15280 _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 $Dsbe_ox . 487 organism . 'Neisseria meningitidis' 'Neisseria meningitidis' . . Eubacteria . Neisseria meningitidis . . . . . . . . . . . . . . . . . . . . . 15280 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 15280 _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 $Dsbe_ox . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET . . . . . . 15280 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15280 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'potassium phosphate' '[U-13C; U-15N]' . . 1 $Dsbe_ox . . 50 . . mM . . . . 15280 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15280 _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 7 0.05 pH 15280 1 pressure 1 . atm 15280 1 temperature 298 0.1 K 15280 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15280 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15280 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15280 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15280 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15280 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15280 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15280 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15280 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 'with cryoprobe' . . 15280 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 15280 _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 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15280 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15280 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15280 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15280 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15280 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15280 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15280 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15280 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15280 1 10 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15280 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15280 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15280 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 15280 1 H 1 TMS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 15280 1 N 15 TMS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 15280 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15280 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 15280 1 2 '3D HNCO' . . . 15280 1 3 '3D HNCA' . . . 15280 1 4 '3D HNCACB' . . . 15280 1 5 '3D HN(CO)CA' . . . 15280 1 6 '3D HCCH-TOCSY' . . . 15280 1 7 '3D HNHA' . . . 15280 1 8 '3D 1H-15N NOESY' . . . 15280 1 9 '3D 1H-13C NOESY' . . . 15280 1 10 '3D HNHB' . . . 15280 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $XEASY . . 15280 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 4 4 HIS C C 13 178.406 0.020 . 1 . . . . 35 HIS C . 15280 1 2 . 1 1 4 4 HIS CA C 13 59.076 0.020 . 1 . . . . 35 HIS CA . 15280 1 3 . 1 1 4 4 HIS CB C 13 30.614 0.020 . 1 . . . . 35 HIS CB . 15280 1 4 . 1 1 5 5 THR H H 1 8.007 0.010 . 1 . . . . 36 THR H . 15280 1 5 . 1 1 5 5 THR HA H 1 3.78 0.010 . 1 . . . . 36 THR HA . 15280 1 6 . 1 1 5 5 THR HB H 1 3.953 0.010 . 1 . . . . 36 THR HB . 15280 1 7 . 1 1 5 5 THR HG21 H 1 1.016 0.010 . 1 . . . . 36 THR QG2 . 15280 1 8 . 1 1 5 5 THR HG22 H 1 1.016 0.010 . 1 . . . . 36 THR QG2 . 15280 1 9 . 1 1 5 5 THR HG23 H 1 1.016 0.010 . 1 . . . . 36 THR QG2 . 15280 1 10 . 1 1 5 5 THR C C 13 177.664 0.020 . 1 . . . . 36 THR C . 15280 1 11 . 1 1 5 5 THR CA C 13 66.145 0.020 . 1 . . . . 36 THR CA . 15280 1 12 . 1 1 5 5 THR CB C 13 68.888 0.020 . 1 . . . . 36 THR CB . 15280 1 13 . 1 1 5 5 THR CG2 C 13 22.577 0.020 . 1 . . . . 36 THR CG2 . 15280 1 14 . 1 1 5 5 THR N N 15 116.883 0.020 . 1 . . . . 36 THR N . 15280 1 15 . 1 1 6 6 LEU H H 1 8.486 0.010 . 1 . . . . 37 LEU H . 15280 1 16 . 1 1 6 6 LEU HA H 1 3.722 0.010 . 1 . . . . 37 LEU HA . 15280 1 17 . 1 1 6 6 LEU HB2 H 1 1.229 0.010 . 1 . . . . 37 LEU HB2 . 15280 1 18 . 1 1 6 6 LEU HB3 H 1 1.635 0.010 . 1 . . . . 37 LEU HB3 . 15280 1 19 . 1 1 6 6 LEU HD11 H 1 0.613 0.010 . 1 . . . . 37 LEU QD1 . 15280 1 20 . 1 1 6 6 LEU HD12 H 1 0.613 0.010 . 1 . . . . 37 LEU QD1 . 15280 1 21 . 1 1 6 6 LEU HD13 H 1 0.613 0.010 . 1 . . . . 37 LEU QD1 . 15280 1 22 . 1 1 6 6 LEU HD21 H 1 0.553 0.010 . 1 . . . . 37 LEU QD2 . 15280 1 23 . 1 1 6 6 LEU HD22 H 1 0.553 0.010 . 1 . . . . 37 LEU QD2 . 15280 1 24 . 1 1 6 6 LEU HD23 H 1 0.553 0.010 . 1 . . . . 37 LEU QD2 . 15280 1 25 . 1 1 6 6 LEU HG H 1 1.502 0.010 . 1 . . . . 37 LEU HG . 15280 1 26 . 1 1 6 6 LEU C C 13 178.104 0.020 . 1 . . . . 37 LEU C . 15280 1 27 . 1 1 6 6 LEU CA C 13 58.525 0.020 . 1 . . . . 37 LEU CA . 15280 1 28 . 1 1 6 6 LEU CB C 13 42.752 0.020 . 1 . . . . 37 LEU CB . 15280 1 29 . 1 1 6 6 LEU CD1 C 13 25.453 0.020 . 1 . . . . 37 LEU CD1 . 15280 1 30 . 1 1 6 6 LEU CD2 C 13 24.672 0.020 . 1 . . . . 37 LEU CD2 . 15280 1 31 . 1 1 6 6 LEU CG C 13 27.22 0.020 . 1 . . . . 37 LEU CG . 15280 1 32 . 1 1 6 6 LEU N N 15 121.567 0.020 . 1 . . . . 37 LEU N . 15280 1 33 . 1 1 7 7 SER H H 1 7.436 0.010 . 1 . . . . 38 SER H . 15280 1 34 . 1 1 7 7 SER HA H 1 3.941 0.010 . 1 . . . . 38 SER HA . 15280 1 35 . 1 1 7 7 SER C C 13 175.267 0.020 . 1 . . . . 38 SER C . 15280 1 36 . 1 1 7 7 SER CA C 13 61.954 0.020 . 1 . . . . 38 SER CA . 15280 1 37 . 1 1 7 7 SER CB C 13 63.402 0.020 . 1 . . . . 38 SER CB . 15280 1 38 . 1 1 7 7 SER N N 15 110.835 0.020 . 1 . . . . 38 SER N . 15280 1 39 . 1 1 8 8 THR H H 1 7.5 0.010 . 1 . . . . 39 THR H . 15280 1 40 . 1 1 8 8 THR HA H 1 4.457 0.010 . 1 . . . . 39 THR HA . 15280 1 41 . 1 1 8 8 THR HB H 1 3.854 0.010 . 1 . . . . 39 THR HB . 15280 1 42 . 1 1 8 8 THR HG21 H 1 1.085 0.010 . 1 . . . . 39 THR QG2 . 15280 1 43 . 1 1 8 8 THR HG22 H 1 1.085 0.010 . 1 . . . . 39 THR QG2 . 15280 1 44 . 1 1 8 8 THR HG23 H 1 1.085 0.010 . 1 . . . . 39 THR QG2 . 15280 1 45 . 1 1 8 8 THR C C 13 175.132 0.020 . 1 . . . . 39 THR C . 15280 1 46 . 1 1 8 8 THR CA C 13 62.03 0.020 . 1 . . . . 39 THR CA . 15280 1 47 . 1 1 8 8 THR CB C 13 70.336 0.020 . 1 . . . . 39 THR CB . 15280 1 48 . 1 1 8 8 THR N N 15 110.448 0.020 . 1 . . . . 39 THR N . 15280 1 49 . 1 1 9 9 LEU H H 1 7.193 0.010 . 1 . . . . 40 LEU H . 15280 1 50 . 1 1 9 9 LEU HA H 1 4.608 0.010 . 1 . . . . 40 LEU HA . 15280 1 51 . 1 1 9 9 LEU HB2 H 1 1.595 0.010 . 1 . . . . 40 LEU QB . 15280 1 52 . 1 1 9 9 LEU HB3 H 1 1.595 0.010 . 1 . . . . 40 LEU QB . 15280 1 53 . 1 1 9 9 LEU HD11 H 1 0.84 0.010 . 1 . . . . 40 LEU QD1 . 15280 1 54 . 1 1 9 9 LEU HD12 H 1 0.84 0.010 . 1 . . . . 40 LEU QD1 . 15280 1 55 . 1 1 9 9 LEU HD13 H 1 0.84 0.010 . 1 . . . . 40 LEU QD1 . 15280 1 56 . 1 1 9 9 LEU HD21 H 1 0.615 0.010 . 1 . . . . 40 LEU QD2 . 15280 1 57 . 1 1 9 9 LEU HD22 H 1 0.615 0.010 . 1 . . . . 40 LEU QD2 . 15280 1 58 . 1 1 9 9 LEU HD23 H 1 0.615 0.010 . 1 . . . . 40 LEU QD2 . 15280 1 59 . 1 1 9 9 LEU C C 13 176.438 0.020 . 1 . . . . 40 LEU C . 15280 1 60 . 1 1 9 9 LEU CA C 13 54.563 0.020 . 1 . . . . 40 LEU CA . 15280 1 61 . 1 1 9 9 LEU CB C 13 43.057 0.020 . 1 . . . . 40 LEU CB . 15280 1 62 . 1 1 9 9 LEU CD1 C 13 22.119 0.020 . 1 . . . . 40 LEU CD1 . 15280 1 63 . 1 1 9 9 LEU CD2 C 13 26.232 0.020 . 1 . . . . 40 LEU CD2 . 15280 1 64 . 1 1 9 9 LEU N N 15 122.085 0.020 . 1 . . . . 40 LEU N . 15280 1 65 . 1 1 10 10 LYS H H 1 8.775 0.010 . 1 . . . . 41 LYS H . 15280 1 66 . 1 1 10 10 LYS HA H 1 5.246 0.010 . 1 . . . . 41 LYS HA . 15280 1 67 . 1 1 10 10 LYS HB2 H 1 1.838 0.010 . 1 . . . . 41 LYS QB . 15280 1 68 . 1 1 10 10 LYS HB3 H 1 1.838 0.010 . 1 . . . . 41 LYS QB . 15280 1 69 . 1 1 10 10 LYS HD2 H 1 1.536 0.010 . 1 . . . . 41 LYS HD2 . 15280 1 70 . 1 1 10 10 LYS HD3 H 1 1.448 0.010 . 1 . . . . 41 LYS HD3 . 15280 1 71 . 1 1 10 10 LYS HE2 H 1 2.857 0.010 . 1 . . . . 41 LYS QE . 15280 1 72 . 1 1 10 10 LYS HE3 H 1 2.857 0.010 . 1 . . . . 41 LYS QE . 15280 1 73 . 1 1 10 10 LYS HG2 H 1 1.277 0.010 . 1 . . . . 41 LYS QG . 15280 1 74 . 1 1 10 10 LYS HG3 H 1 1.277 0.010 . 1 . . . . 41 LYS QG . 15280 1 75 . 1 1 10 10 LYS C C 13 177.157 0.020 . 1 . . . . 41 LYS C . 15280 1 76 . 1 1 10 10 LYS CA C 13 54.384 0.020 . 1 . . . . 41 LYS CA . 15280 1 77 . 1 1 10 10 LYS CB C 13 36.885 0.020 . 1 . . . . 41 LYS CB . 15280 1 78 . 1 1 10 10 LYS CD C 13 29.337 0.020 . 1 . . . . 41 LYS CD . 15280 1 79 . 1 1 10 10 LYS CE C 13 42.674 0.020 . 1 . . . . 41 LYS CE . 15280 1 80 . 1 1 10 10 LYS CG C 13 25.436 0.020 . 1 . . . . 41 LYS CG . 15280 1 81 . 1 1 10 10 LYS N N 15 119.804 0.020 . 1 . . . . 41 LYS N . 15280 1 82 . 1 1 11 11 THR H H 1 9.303 0.010 . 1 . . . . 42 THR H . 15280 1 83 . 1 1 11 11 THR HA H 1 5.325 0.010 . 1 . . . . 42 THR HA . 15280 1 84 . 1 1 11 11 THR HB H 1 4.892 0.010 . 1 . . . . 42 THR HB . 15280 1 85 . 1 1 11 11 THR HG1 H 1 6.179 0.010 . 1 . . . . 42 THR HG1 . 15280 1 86 . 1 1 11 11 THR HG21 H 1 0.964 0.010 . 1 . . . . 42 THR QG2 . 15280 1 87 . 1 1 11 11 THR HG22 H 1 0.964 0.010 . 1 . . . . 42 THR QG2 . 15280 1 88 . 1 1 11 11 THR HG23 H 1 0.964 0.010 . 1 . . . . 42 THR QG2 . 15280 1 89 . 1 1 11 11 THR C C 13 179.174 0.020 . 1 . . . . 42 THR C . 15280 1 90 . 1 1 11 11 THR CA C 13 61.344 0.020 . 1 . . . . 42 THR CA . 15280 1 91 . 1 1 11 11 THR CB C 13 71.555 0.020 . 1 . . . . 42 THR CB . 15280 1 92 . 1 1 11 11 THR CG2 C 13 23.826 0.020 . 1 . . . . 42 THR CG2 . 15280 1 93 . 1 1 11 11 THR N N 15 108.52 0.020 . 1 . . . . 42 THR N . 15280 1 94 . 1 1 12 12 ALA H H 1 8.603 0.010 . 1 . . . . 43 ALA H . 15280 1 95 . 1 1 12 12 ALA HA H 1 4.184 0.010 . 1 . . . . 43 ALA HA . 15280 1 96 . 1 1 12 12 ALA HB1 H 1 1.384 0.010 . 1 . . . . 43 ALA QB . 15280 1 97 . 1 1 12 12 ALA HB2 H 1 1.384 0.010 . 1 . . . . 43 ALA QB . 15280 1 98 . 1 1 12 12 ALA HB3 H 1 1.384 0.010 . 1 . . . . 43 ALA QB . 15280 1 99 . 1 1 12 12 ALA C C 13 177.232 0.020 . 1 . . . . 43 ALA C . 15280 1 100 . 1 1 12 12 ALA CA C 13 55.401 0.020 . 1 . . . . 43 ALA CA . 15280 1 101 . 1 1 12 12 ALA CB C 13 18.292 0.020 . 1 . . . . 43 ALA CB . 15280 1 102 . 1 1 12 12 ALA N N 15 123.487 0.020 . 1 . . . . 43 ALA N . 15280 1 103 . 1 1 13 13 ASP H H 1 8.116 0.010 . 1 . . . . 44 ASP H . 15280 1 104 . 1 1 13 13 ASP HA H 1 4.672 0.010 . 1 . . . . 44 ASP HA . 15280 1 105 . 1 1 13 13 ASP HB2 H 1 3.035 0.010 . 1 . . . . 44 ASP HB2 . 15280 1 106 . 1 1 13 13 ASP HB3 H 1 2.533 0.010 . 1 . . . . 44 ASP HB3 . 15280 1 107 . 1 1 13 13 ASP C C 13 175.283 0.020 . 1 . . . . 44 ASP C . 15280 1 108 . 1 1 13 13 ASP CA C 13 53.076 0.020 . 1 . . . . 44 ASP CA . 15280 1 109 . 1 1 13 13 ASP CB C 13 39.643 0.020 . 1 . . . . 44 ASP CB . 15280 1 110 . 1 1 13 13 ASP N N 15 113.48 0.020 . 1 . . . . 44 ASP N . 15280 1 111 . 1 1 14 14 ASN H H 1 8.083 0.010 . 1 . . . . 45 ASN H . 15280 1 112 . 1 1 14 14 ASN HA H 1 4.228 0.010 . 1 . . . . 45 ASN HA . 15280 1 113 . 1 1 14 14 ASN HB2 H 1 3.144 0.010 . 1 . . . . 45 ASN HB2 . 15280 1 114 . 1 1 14 14 ASN HB3 H 1 2.712 0.010 . 1 . . . . 45 ASN HB3 . 15280 1 115 . 1 1 14 14 ASN C C 13 174.81 0.020 . 1 . . . . 45 ASN C . 15280 1 116 . 1 1 14 14 ASN CA C 13 55.325 0.020 . 1 . . . . 45 ASN CA . 15280 1 117 . 1 1 14 14 ASN CB C 13 37.494 0.020 . 1 . . . . 45 ASN CB . 15280 1 118 . 1 1 14 14 ASN N N 15 114.262 0.020 . 1 . . . . 45 ASN N . 15280 1 119 . 1 1 15 15 ARG H H 1 8.166 0.010 . 1 . . . . 46 ARG H . 15280 1 120 . 1 1 15 15 ARG HA H 1 4.635 0.010 . 1 . . . . 46 ARG HA . 15280 1 121 . 1 1 15 15 ARG HB2 H 1 1.632 0.010 . 1 . . . . 46 ARG QB . 15280 1 122 . 1 1 15 15 ARG HB3 H 1 1.632 0.010 . 1 . . . . 46 ARG QB . 15280 1 123 . 1 1 15 15 ARG C C 13 173.524 0.020 . 1 . . . . 46 ARG C . 15280 1 124 . 1 1 15 15 ARG CA C 13 54.666 0.020 . 1 . . . . 46 ARG CA . 15280 1 125 . 1 1 15 15 ARG CB C 13 30.331 0.020 . 1 . . . . 46 ARG CB . 15280 1 126 . 1 1 15 15 ARG N N 15 119.703 0.020 . 1 . . . . 46 ARG N . 15280 1 127 . 1 1 16 16 PRO HA H 1 4.46 0.010 . 1 . . . . 47 PRO HA . 15280 1 128 . 1 1 16 16 PRO HB2 H 1 2.366 0.010 . 1 . . . . 47 PRO HB2 . 15280 1 129 . 1 1 16 16 PRO HB3 H 1 1.985 0.010 . 1 . . . . 47 PRO HB3 . 15280 1 130 . 1 1 16 16 PRO HD2 H 1 3.511 0.010 . 1 . . . . 47 PRO HD2 . 15280 1 131 . 1 1 16 16 PRO HD3 H 1 3.732 0.010 . 1 . . . . 47 PRO HD3 . 15280 1 132 . 1 1 16 16 PRO HG2 H 1 1.903 0.010 . 1 . . . . 47 PRO HG2 . 15280 1 133 . 1 1 16 16 PRO HG3 H 1 2.061 0.010 . 1 . . . . 47 PRO HG3 . 15280 1 134 . 1 1 16 16 PRO C C 13 178.125 0.020 . 1 . . . . 47 PRO C . 15280 1 135 . 1 1 16 16 PRO CA C 13 64.023 0.020 . 1 . . . . 47 PRO CA . 15280 1 136 . 1 1 16 16 PRO CB C 13 32.236 0.020 . 1 . . . . 47 PRO CB . 15280 1 137 . 1 1 16 16 PRO CD C 13 50.511 0.020 . 1 . . . . 47 PRO CD . 15280 1 138 . 1 1 16 16 PRO CG C 13 28.517 0.020 . 1 . . . . 47 PRO CG . 15280 1 139 . 1 1 17 17 ALA H H 1 8.53 0.010 . 1 . . . . 48 ALA H . 15280 1 140 . 1 1 17 17 ALA HA H 1 3.697 0.010 . 1 . . . . 48 ALA HA . 15280 1 141 . 1 1 17 17 ALA HB1 H 1 1.207 0.010 . 1 . . . . 48 ALA QB . 15280 1 142 . 1 1 17 17 ALA HB2 H 1 1.207 0.010 . 1 . . . . 48 ALA QB . 15280 1 143 . 1 1 17 17 ALA HB3 H 1 1.207 0.010 . 1 . . . . 48 ALA QB . 15280 1 144 . 1 1 17 17 ALA C C 13 178.387 0.020 . 1 . . . . 48 ALA C . 15280 1 145 . 1 1 17 17 ALA CA C 13 55.401 0.020 . 1 . . . . 48 ALA CA . 15280 1 146 . 1 1 17 17 ALA CB C 13 19.664 0.020 . 1 . . . . 48 ALA CB . 15280 1 147 . 1 1 17 17 ALA N N 15 125.272 0.020 . 1 . . . . 48 ALA N . 15280 1 148 . 1 1 18 18 SER H H 1 7.827 0.010 . 1 . . . . 49 SER H . 15280 1 149 . 1 1 18 18 SER HA H 1 3.821 0.010 . 1 . . . . 49 SER HA . 15280 1 150 . 1 1 18 18 SER HB2 H 1 3.883 0.010 . 1 . . . . 49 SER QB . 15280 1 151 . 1 1 18 18 SER HB3 H 1 3.883 0.010 . 1 . . . . 49 SER QB . 15280 1 152 . 1 1 18 18 SER CA C 13 61.036 0.020 . 1 . . . . 49 SER CA . 15280 1 153 . 1 1 18 18 SER CB C 13 62.595 0.020 . 1 . . . . 49 SER CB . 15280 1 154 . 1 1 18 18 SER N N 15 108.504 0.020 . 1 . . . . 49 SER N . 15280 1 155 . 1 1 19 19 VAL C C 13 177.429 0.020 . 1 . . . . 50 VAL C . 15280 1 156 . 1 1 19 19 VAL CA C 13 64.532 0.020 . 1 . . . . 50 VAL CA . 15280 1 157 . 1 1 20 20 TYR H H 1 7.513 0.010 . 1 . . . . 51 TYR H . 15280 1 158 . 1 1 20 20 TYR HA H 1 4.698 0.010 . 1 . . . . 51 TYR HA . 15280 1 159 . 1 1 20 20 TYR HB2 H 1 3.304 0.010 . 1 . . . . 51 TYR HB2 . 15280 1 160 . 1 1 20 20 TYR HB3 H 1 2.477 0.010 . 1 . . . . 51 TYR HB3 . 15280 1 161 . 1 1 20 20 TYR C C 13 175.319 0.020 . 1 . . . . 51 TYR C . 15280 1 162 . 1 1 20 20 TYR CA C 13 57.41 0.020 . 1 . . . . 51 TYR CA . 15280 1 163 . 1 1 20 20 TYR CB C 13 40.618 0.020 . 1 . . . . 51 TYR CB . 15280 1 164 . 1 1 20 20 TYR N N 15 117.419 0.020 . 1 . . . . 51 TYR N . 15280 1 165 . 1 1 21 21 LEU H H 1 7.187 0.010 . 1 . . . . 52 LEU H . 15280 1 166 . 1 1 21 21 LEU HA H 1 4.278 0.010 . 1 . . . . 52 LEU HA . 15280 1 167 . 1 1 21 21 LEU HB2 H 1 1.175 0.010 . 1 . . . . 52 LEU HB2 . 15280 1 168 . 1 1 21 21 LEU HB3 H 1 1.546 0.010 . 1 . . . . 52 LEU HB3 . 15280 1 169 . 1 1 21 21 LEU HD11 H 1 0.611 0.010 . 1 . . . . 52 LEU QD1 . 15280 1 170 . 1 1 21 21 LEU HD12 H 1 0.611 0.010 . 1 . . . . 52 LEU QD1 . 15280 1 171 . 1 1 21 21 LEU HD13 H 1 0.611 0.010 . 1 . . . . 52 LEU QD1 . 15280 1 172 . 1 1 21 21 LEU HD21 H 1 0.701 0.010 . 1 . . . . 52 LEU QD2 . 15280 1 173 . 1 1 21 21 LEU HD22 H 1 0.701 0.010 . 1 . . . . 52 LEU QD2 . 15280 1 174 . 1 1 21 21 LEU HD23 H 1 0.701 0.010 . 1 . . . . 52 LEU QD2 . 15280 1 175 . 1 1 21 21 LEU HG H 1 1.451 0.010 . 1 . . . . 52 LEU HG . 15280 1 176 . 1 1 21 21 LEU C C 13 175.884 0.020 . 1 . . . . 52 LEU C . 15280 1 177 . 1 1 21 21 LEU CA C 13 53.572 0.020 . 1 . . . . 52 LEU CA . 15280 1 178 . 1 1 21 21 LEU CB C 13 42.752 0.020 . 1 . . . . 52 LEU CB . 15280 1 179 . 1 1 21 21 LEU CD1 C 13 21.343 0.020 . 1 . . . . 52 LEU CD1 . 15280 1 180 . 1 1 21 21 LEU CD2 C 13 24.017 0.020 . 1 . . . . 52 LEU CD2 . 15280 1 181 . 1 1 21 21 LEU CG C 13 26.275 0.020 . 1 . . . . 52 LEU CG . 15280 1 182 . 1 1 21 21 LEU N N 15 119.475 0.020 . 1 . . . . 52 LEU N . 15280 1 183 . 1 1 22 22 LYS H H 1 8.171 0.010 . 1 . . . . 53 LYS H . 15280 1 184 . 1 1 22 22 LYS HA H 1 4.411 0.010 . 1 . . . . 53 LYS HA . 15280 1 185 . 1 1 22 22 LYS HB2 H 1 1.794 0.010 . 1 . . . . 53 LYS QB . 15280 1 186 . 1 1 22 22 LYS HB3 H 1 1.794 0.010 . 1 . . . . 53 LYS QB . 15280 1 187 . 1 1 22 22 LYS HG2 H 1 1.429 0.010 . 1 . . . . 53 LYS QG . 15280 1 188 . 1 1 22 22 LYS HG3 H 1 1.429 0.010 . 1 . . . . 53 LYS QG . 15280 1 189 . 1 1 22 22 LYS C C 13 178.595 0.020 . 1 . . . . 53 LYS C . 15280 1 190 . 1 1 22 22 LYS CA C 13 55.706 0.020 . 1 . . . . 53 LYS CA . 15280 1 191 . 1 1 22 22 LYS CB C 13 32.998 0.020 . 1 . . . . 53 LYS CB . 15280 1 192 . 1 1 22 22 LYS CG C 13 25.495 0.020 . 1 . . . . 53 LYS CG . 15280 1 193 . 1 1 22 22 LYS N N 15 122.63 0.020 . 1 . . . . 53 LYS N . 15280 1 194 . 1 1 23 23 LYS H H 1 8.505 0.010 . 1 . . . . 54 LYS H . 15280 1 195 . 1 1 23 23 LYS HA H 1 4.029 0.010 . 1 . . . . 54 LYS HA . 15280 1 196 . 1 1 23 23 LYS HB2 H 1 1.712 0.010 . 1 . . . . 54 LYS QB . 15280 1 197 . 1 1 23 23 LYS HB3 H 1 1.712 0.010 . 1 . . . . 54 LYS QB . 15280 1 198 . 1 1 23 23 LYS HD2 H 1 1.618 0.010 . 1 . . . . 54 LYS QD . 15280 1 199 . 1 1 23 23 LYS HD3 H 1 1.618 0.010 . 1 . . . . 54 LYS QD . 15280 1 200 . 1 1 23 23 LYS HE2 H 1 2.923 0.010 . 1 . . . . 54 LYS QE . 15280 1 201 . 1 1 23 23 LYS HE3 H 1 2.923 0.010 . 1 . . . . 54 LYS QE . 15280 1 202 . 1 1 23 23 LYS HG2 H 1 1.384 0.010 . 1 . . . . 54 LYS QG . 15280 1 203 . 1 1 23 23 LYS HG3 H 1 1.384 0.010 . 1 . . . . 54 LYS QG . 15280 1 204 . 1 1 23 23 LYS C C 13 176.211 0.020 . 1 . . . . 54 LYS C . 15280 1 205 . 1 1 23 23 LYS CA C 13 57.687 0.020 . 1 . . . . 54 LYS CA . 15280 1 206 . 1 1 23 23 LYS CB C 13 33.303 0.020 . 1 . . . . 54 LYS CB . 15280 1 207 . 1 1 23 23 LYS CD C 13 29.631 0.020 . 1 . . . . 54 LYS CD . 15280 1 208 . 1 1 23 23 LYS CE C 13 42.484 0.020 . 1 . . . . 54 LYS CE . 15280 1 209 . 1 1 23 23 LYS CG C 13 25.079 0.020 . 1 . . . . 54 LYS CG . 15280 1 210 . 1 1 23 23 LYS N N 15 123.135 0.020 . 1 . . . . 54 LYS N . 15280 1 211 . 1 1 24 24 ASP H H 1 8.681 0.010 . 1 . . . . 55 ASP H . 15280 1 212 . 1 1 24 24 ASP HA H 1 4.251 0.010 . 1 . . . . 55 ASP HA . 15280 1 213 . 1 1 24 24 ASP HB2 H 1 2.734 0.010 . 1 . . . . 55 ASP QB . 15280 1 214 . 1 1 24 24 ASP HB3 H 1 2.734 0.010 . 1 . . . . 55 ASP QB . 15280 1 215 . 1 1 24 24 ASP C C 13 174.716 0.020 . 1 . . . . 55 ASP C . 15280 1 216 . 1 1 24 24 ASP CA C 13 55.629 0.020 . 1 . . . . 55 ASP CA . 15280 1 217 . 1 1 24 24 ASP CB C 13 39.78 0.020 . 1 . . . . 55 ASP CB . 15280 1 218 . 1 1 24 24 ASP N N 15 115.209 0.020 . 1 . . . . 55 ASP N . 15280 1 219 . 1 1 25 25 LYS H H 1 7.189 0.010 . 1 . . . . 56 LYS H . 15280 1 220 . 1 1 25 25 LYS HA H 1 4.842 0.010 . 1 . . . . 56 LYS HA . 15280 1 221 . 1 1 25 25 LYS HB2 H 1 1.849 0.010 . 1 . . . . 56 LYS HB2 . 15280 1 222 . 1 1 25 25 LYS HB3 H 1 1.433 0.010 . 1 . . . . 56 LYS HB3 . 15280 1 223 . 1 1 25 25 LYS HD2 H 1 1.25 0.010 . 1 . . . . 56 LYS QD . 15280 1 224 . 1 1 25 25 LYS HD3 H 1 1.25 0.010 . 1 . . . . 56 LYS QD . 15280 1 225 . 1 1 25 25 LYS HE2 H 1 2.827 0.010 . 1 . . . . 56 LYS HE2 . 15280 1 226 . 1 1 25 25 LYS HE3 H 1 2.779 0.010 . 1 . . . . 56 LYS HE3 . 15280 1 227 . 1 1 25 25 LYS HG2 H 1 1.2 0.010 . 1 . . . . 56 LYS QG . 15280 1 228 . 1 1 25 25 LYS HG3 H 1 1.2 0.010 . 1 . . . . 56 LYS QG . 15280 1 229 . 1 1 25 25 LYS C C 13 173.788 0.020 . 1 . . . . 56 LYS C . 15280 1 230 . 1 1 25 25 LYS CA C 13 54.362 0.020 . 1 . . . . 56 LYS CA . 15280 1 231 . 1 1 25 25 LYS CB C 13 35.808 0.020 . 1 . . . . 56 LYS CB . 15280 1 232 . 1 1 25 25 LYS CD C 13 30.163 0.020 . 1 . . . . 56 LYS CD . 15280 1 233 . 1 1 25 25 LYS CE C 13 43.074 0.020 . 1 . . . . 56 LYS CE . 15280 1 234 . 1 1 25 25 LYS CG C 13 25.491 0.020 . 1 . . . . 56 LYS CG . 15280 1 235 . 1 1 25 25 LYS N N 15 116.725 0.020 . 1 . . . . 56 LYS N . 15280 1 236 . 1 1 26 26 PRO HA H 1 4.513 0.010 . 1 . . . . 57 PRO HA . 15280 1 237 . 1 1 26 26 PRO HB2 H 1 1.836 0.010 . 1 . . . . 57 PRO HB2 . 15280 1 238 . 1 1 26 26 PRO HB3 H 1 2.462 0.010 . 1 . . . . 57 PRO HB3 . 15280 1 239 . 1 1 26 26 PRO HD2 H 1 3.697 0.010 . 1 . . . . 57 PRO HD2 . 15280 1 240 . 1 1 26 26 PRO HD3 H 1 4.184 0.010 . 1 . . . . 57 PRO HD3 . 15280 1 241 . 1 1 26 26 PRO HG2 H 1 1.919 0.010 . 1 . . . . 57 PRO HG2 . 15280 1 242 . 1 1 26 26 PRO HG3 H 1 2.11 0.010 . 1 . . . . 57 PRO HG3 . 15280 1 243 . 1 1 26 26 PRO C C 13 175.365 0.020 . 1 . . . . 57 PRO C . 15280 1 244 . 1 1 26 26 PRO CA C 13 63.137 0.020 . 1 . . . . 57 PRO CA . 15280 1 245 . 1 1 26 26 PRO CB C 13 33.837 0.020 . 1 . . . . 57 PRO CB . 15280 1 246 . 1 1 26 26 PRO CD C 13 50.844 0.020 . 1 . . . . 57 PRO CD . 15280 1 247 . 1 1 26 26 PRO CG C 13 26.977 0.020 . 1 . . . . 57 PRO CG . 15280 1 248 . 1 1 27 27 THR H H 1 9.347 0.010 . 1 . . . . 58 THR H . 15280 1 249 . 1 1 27 27 THR HA H 1 4.916 0.010 . 1 . . . . 58 THR HA . 15280 1 250 . 1 1 27 27 THR HB H 1 3.716 0.010 . 1 . . . . 58 THR HB . 15280 1 251 . 1 1 27 27 THR HG21 H 1 0.84 0.010 . 1 . . . . 58 THR QG2 . 15280 1 252 . 1 1 27 27 THR HG22 H 1 0.84 0.010 . 1 . . . . 58 THR QG2 . 15280 1 253 . 1 1 27 27 THR HG23 H 1 0.84 0.010 . 1 . . . . 58 THR QG2 . 15280 1 254 . 1 1 27 27 THR C C 13 172.544 0.020 . 1 . . . . 58 THR C . 15280 1 255 . 1 1 27 27 THR CA C 13 62.792 0.020 . 1 . . . . 58 THR CA . 15280 1 256 . 1 1 27 27 THR CB C 13 71.631 0.020 . 1 . . . . 58 THR CB . 15280 1 257 . 1 1 27 27 THR CG2 C 13 21.564 0.020 . 1 . . . . 58 THR CG2 . 15280 1 258 . 1 1 27 27 THR N N 15 116.485 0.020 . 1 . . . . 58 THR N . 15280 1 259 . 1 1 28 28 LEU H H 1 9.2 0.010 . 1 . . . . 59 LEU H . 15280 1 260 . 1 1 28 28 LEU HA H 1 5.22 0.010 . 1 . . . . 59 LEU HA . 15280 1 261 . 1 1 28 28 LEU HB2 H 1 1.963 0.010 . 1 . . . . 59 LEU HB2 . 15280 1 262 . 1 1 28 28 LEU HB3 H 1 1.282 0.010 . 1 . . . . 59 LEU HB3 . 15280 1 263 . 1 1 28 28 LEU HD11 H 1 0.896 0.010 . 1 . . . . 59 LEU QD1 . 15280 1 264 . 1 1 28 28 LEU HD12 H 1 0.896 0.010 . 1 . . . . 59 LEU QD1 . 15280 1 265 . 1 1 28 28 LEU HD13 H 1 0.896 0.010 . 1 . . . . 59 LEU QD1 . 15280 1 266 . 1 1 28 28 LEU HD21 H 1 0.777 0.010 . 1 . . . . 59 LEU QD2 . 15280 1 267 . 1 1 28 28 LEU HD22 H 1 0.777 0.010 . 1 . . . . 59 LEU QD2 . 15280 1 268 . 1 1 28 28 LEU HD23 H 1 0.777 0.010 . 1 . . . . 59 LEU QD2 . 15280 1 269 . 1 1 28 28 LEU HG H 1 1.809 0.010 . 1 . . . . 59 LEU HG . 15280 1 270 . 1 1 28 28 LEU C C 13 174.318 0.020 . 1 . . . . 59 LEU C . 15280 1 271 . 1 1 28 28 LEU CA C 13 54.105 0.020 . 1 . . . . 59 LEU CA . 15280 1 272 . 1 1 28 28 LEU CB C 13 44.809 0.020 . 1 . . . . 59 LEU CB . 15280 1 273 . 1 1 28 28 LEU CD1 C 13 24.209 0.020 . 1 . . . . 59 LEU CD1 . 15280 1 274 . 1 1 28 28 LEU CD2 C 13 25.707 0.020 . 1 . . . . 59 LEU CD2 . 15280 1 275 . 1 1 28 28 LEU CG C 13 27.517 0.020 . 1 . . . . 59 LEU CG . 15280 1 276 . 1 1 28 28 LEU N N 15 130.986 0.020 . 1 . . . . 59 LEU N . 15280 1 277 . 1 1 29 29 ILE H H 1 9.376 0.010 . 1 . . . . 60 ILE H . 15280 1 278 . 1 1 29 29 ILE HA H 1 4.539 0.010 . 1 . . . . 60 ILE HA . 15280 1 279 . 1 1 29 29 ILE HB H 1 1.452 0.010 . 1 . . . . 60 ILE HB . 15280 1 280 . 1 1 29 29 ILE HD11 H 1 -0.297 0.010 . 1 . . . . 60 ILE QD1 . 15280 1 281 . 1 1 29 29 ILE HD12 H 1 -0.297 0.010 . 1 . . . . 60 ILE QD1 . 15280 1 282 . 1 1 29 29 ILE HD13 H 1 -0.297 0.010 . 1 . . . . 60 ILE QD1 . 15280 1 283 . 1 1 29 29 ILE HG12 H 1 0.379 0.010 . 1 . . . . 60 ILE QG1 . 15280 1 284 . 1 1 29 29 ILE HG13 H 1 0.379 0.010 . 1 . . . . 60 ILE QG1 . 15280 1 285 . 1 1 29 29 ILE HG21 H 1 0.557 0.010 . 1 . . . . 60 ILE QG2 . 15280 1 286 . 1 1 29 29 ILE HG22 H 1 0.557 0.010 . 1 . . . . 60 ILE QG2 . 15280 1 287 . 1 1 29 29 ILE HG23 H 1 0.557 0.010 . 1 . . . . 60 ILE QG2 . 15280 1 288 . 1 1 29 29 ILE C C 13 175.265 0.020 . 1 . . . . 60 ILE C . 15280 1 289 . 1 1 29 29 ILE CA C 13 60.201 0.020 . 1 . . . . 60 ILE CA . 15280 1 290 . 1 1 29 29 ILE CB C 13 41.282 0.020 . 1 . . . . 60 ILE CB . 15280 1 291 . 1 1 29 29 ILE CD1 C 13 18.387 0.020 . 1 . . . . 60 ILE CD1 . 15280 1 292 . 1 1 29 29 ILE CG1 C 13 27.493 0.020 . 1 . . . . 60 ILE CG1 . 15280 1 293 . 1 1 29 29 ILE CG2 C 13 14.475 0.020 . 1 . . . . 60 ILE CG2 . 15280 1 294 . 1 1 29 29 ILE N N 15 123.169 0.020 . 1 . . . . 60 ILE N . 15280 1 295 . 1 1 30 30 LYS H H 1 7.899 0.010 . 1 . . . . 61 LYS H . 15280 1 296 . 1 1 30 30 LYS HA H 1 3.989 0.010 . 1 . . . . 61 LYS HA . 15280 1 297 . 1 1 30 30 LYS HB2 H 1 0.735 0.010 . 1 . . . . 61 LYS HB2 . 15280 1 298 . 1 1 30 30 LYS HB3 H 1 -0.409 0.010 . 1 . . . . 61 LYS HB3 . 15280 1 299 . 1 1 30 30 LYS C C 13 176.02 0.020 . 1 . . . . 61 LYS C . 15280 1 300 . 1 1 30 30 LYS CA C 13 54.41 0.020 . 1 . . . . 61 LYS CA . 15280 1 301 . 1 1 30 30 LYS CB C 13 34.446 0.020 . 1 . . . . 61 LYS CB . 15280 1 302 . 1 1 30 30 LYS N N 15 125.725 0.020 . 1 . . . . 61 LYS N . 15280 1 303 . 1 1 31 31 PHE H H 1 9.353 0.010 . 1 . . . . 62 PHE H . 15280 1 304 . 1 1 31 31 PHE HA H 1 4.939 0.010 . 1 . . . . 62 PHE HA . 15280 1 305 . 1 1 31 31 PHE HB2 H 1 3.181 0.010 . 1 . . . . 62 PHE HB2 . 15280 1 306 . 1 1 31 31 PHE HB3 H 1 2.767 0.010 . 1 . . . . 62 PHE HB3 . 15280 1 307 . 1 1 31 31 PHE C C 13 175.254 0.020 . 1 . . . . 62 PHE C . 15280 1 308 . 1 1 31 31 PHE CA C 13 57.992 0.020 . 1 . . . . 62 PHE CA . 15280 1 309 . 1 1 31 31 PHE CB C 13 40.771 0.020 . 1 . . . . 62 PHE CB . 15280 1 310 . 1 1 31 31 PHE N N 15 128.456 0.020 . 1 . . . . 62 PHE N . 15280 1 311 . 1 1 32 32 TRP H H 1 7.781 0.010 . 1 . . . . 63 TRP H . 15280 1 312 . 1 1 32 32 TRP HA H 1 4.066 0.010 . 1 . . . . 63 TRP HA . 15280 1 313 . 1 1 32 32 TRP HB2 H 1 2.586 0.010 . 1 . . . . 63 TRP QB . 15280 1 314 . 1 1 32 32 TRP HB3 H 1 2.586 0.010 . 1 . . . . 63 TRP QB . 15280 1 315 . 1 1 32 32 TRP HD1 H 1 6.737 0.010 . 1 . . . . 63 TRP HD1 . 15280 1 316 . 1 1 32 32 TRP HE1 H 1 9.208 0.010 . 1 . . . . 63 TRP HE1 . 15280 1 317 . 1 1 32 32 TRP HZ2 H 1 6.97 0.010 . 1 . . . . 63 TRP HZ2 . 15280 1 318 . 1 1 32 32 TRP C C 13 171.732 0.020 . 1 . . . . 63 TRP C . 15280 1 319 . 1 1 32 32 TRP CA C 13 54.944 0.020 . 1 . . . . 63 TRP CA . 15280 1 320 . 1 1 32 32 TRP CB C 13 31.474 0.020 . 1 . . . . 63 TRP CB . 15280 1 321 . 1 1 32 32 TRP N N 15 115.783 0.020 . 1 . . . . 63 TRP N . 15280 1 322 . 1 1 32 32 TRP NE1 N 15 127.73 0.020 . 1 . . . . 63 TRP NE1 . 15280 1 323 . 1 1 33 33 ALA H H 1 6.047 0.010 . 1 . . . . 64 ALA H . 15280 1 324 . 1 1 33 33 ALA HA H 1 3.789 0.010 . 1 . . . . 64 ALA HA . 15280 1 325 . 1 1 33 33 ALA HB1 H 1 -0.023 0.010 . 1 . . . . 64 ALA QB . 15280 1 326 . 1 1 33 33 ALA HB2 H 1 -0.023 0.010 . 1 . . . . 64 ALA QB . 15280 1 327 . 1 1 33 33 ALA HB3 H 1 -0.023 0.010 . 1 . . . . 64 ALA QB . 15280 1 328 . 1 1 33 33 ALA C C 13 178.182 0.020 . 1 . . . . 64 ALA C . 15280 1 329 . 1 1 33 33 ALA CA C 13 50.829 0.020 . 1 . . . . 64 ALA CA . 15280 1 330 . 1 1 33 33 ALA CB C 13 23.778 0.020 . 1 . . . . 64 ALA CB . 15280 1 331 . 1 1 33 33 ALA N N 15 114.63 0.020 . 1 . . . . 64 ALA N . 15280 1 332 . 1 1 34 34 SER H H 1 10.179 0.010 . 1 . . . . 65 SER H . 15280 1 333 . 1 1 34 34 SER HA H 1 3.864 0.010 . 1 . . . . 65 SER HA . 15280 1 334 . 1 1 34 34 SER HB2 H 1 2.173 0.010 . 1 . . . . 65 SER HB2 . 15280 1 335 . 1 1 34 34 SER HB3 H 1 2.928 0.010 . 1 . . . . 65 SER HB3 . 15280 1 336 . 1 1 34 34 SER C C 13 174.425 0.020 . 1 . . . . 65 SER C . 15280 1 337 . 1 1 34 34 SER CA C 13 61.229 0.020 . 1 . . . . 65 SER CA . 15280 1 338 . 1 1 34 34 SER CB C 13 61.637 0.020 . 1 . . . . 65 SER CB . 15280 1 339 . 1 1 34 34 SER N N 15 118.547 0.020 . 1 . . . . 65 SER N . 15280 1 340 . 1 1 35 35 TRP H H 1 6.125 0.010 . 1 . . . . 66 TRP H . 15280 1 341 . 1 1 35 35 TRP HA H 1 4.521 0.010 . 1 . . . . 66 TRP HA . 15280 1 342 . 1 1 35 35 TRP HB2 H 1 3.66 0.010 . 1 . . . . 66 TRP HB2 . 15280 1 343 . 1 1 35 35 TRP HB3 H 1 2.993 0.010 . 1 . . . . 66 TRP HB3 . 15280 1 344 . 1 1 35 35 TRP HD1 H 1 6.833 0.010 . 1 . . . . 66 TRP HD1 . 15280 1 345 . 1 1 35 35 TRP HE1 H 1 9.304 0.010 . 1 . . . . 66 TRP HE1 . 15280 1 346 . 1 1 35 35 TRP HZ2 H 1 7.738 0.010 . 1 . . . . 66 TRP HZ2 . 15280 1 347 . 1 1 35 35 TRP C C 13 175.666 0.020 . 1 . . . . 66 TRP C . 15280 1 348 . 1 1 35 35 TRP CA C 13 53.877 0.020 . 1 . . . . 66 TRP CA . 15280 1 349 . 1 1 35 35 TRP CB C 13 30.06 0.020 . 1 . . . . 66 TRP CB . 15280 1 350 . 1 1 35 35 TRP N N 15 114.871 0.020 . 1 . . . . 66 TRP N . 15280 1 351 . 1 1 35 35 TRP NE1 N 15 128.74 0.020 . 1 . . . . 66 TRP NE1 . 15280 1 352 . 1 1 36 36 CYS H H 1 6.946 0.010 . 1 . . . . 67 CYS H . 15280 1 353 . 1 1 36 36 CYS HA H 1 5.229 0.010 . 1 . . . . 67 CYS HA . 15280 1 354 . 1 1 36 36 CYS HB2 H 1 3.292 0.010 . 1 . . . . 67 CYS HB2 . 15280 1 355 . 1 1 36 36 CYS HB3 H 1 3.145 0.010 . 1 . . . . 67 CYS HB3 . 15280 1 356 . 1 1 36 36 CYS C C 13 172.624 0.020 . 1 . . . . 67 CYS C . 15280 1 357 . 1 1 36 36 CYS CA C 13 51.972 0.020 . 1 . . . . 67 CYS CA . 15280 1 358 . 1 1 36 36 CYS CB C 13 45.266 0.020 . 1 . . . . 67 CYS CB . 15280 1 359 . 1 1 36 36 CYS N N 15 123.775 0.020 . 1 . . . . 67 CYS N . 15280 1 360 . 1 1 37 37 PRO HA H 1 4.251 0.010 . 1 . . . . 68 PRO HA . 15280 1 361 . 1 1 37 37 PRO HB2 H 1 2.013 0.010 . 1 . . . . 68 PRO HB2 . 15280 1 362 . 1 1 37 37 PRO HB3 H 1 2.417 0.010 . 1 . . . . 68 PRO HB3 . 15280 1 363 . 1 1 37 37 PRO HD2 H 1 4.06 0.010 . 1 . . . . 68 PRO QD . 15280 1 364 . 1 1 37 37 PRO HD3 H 1 4.06 0.010 . 1 . . . . 68 PRO QD . 15280 1 365 . 1 1 37 37 PRO HG2 H 1 2.191 0.010 . 1 . . . . 68 PRO QG . 15280 1 366 . 1 1 37 37 PRO HG3 H 1 2.191 0.010 . 1 . . . . 68 PRO QG . 15280 1 367 . 1 1 37 37 PRO C C 13 181.266 0.020 . 1 . . . . 68 PRO C . 15280 1 368 . 1 1 37 37 PRO CA C 13 66.907 0.020 . 1 . . . . 68 PRO CA . 15280 1 369 . 1 1 37 37 PRO CB C 13 32.539 0.020 . 1 . . . . 68 PRO CB . 15280 1 370 . 1 1 37 37 PRO CD C 13 52.253 0.020 . 1 . . . . 68 PRO CD . 15280 1 371 . 1 1 37 37 PRO CG C 13 28.584 0.020 . 1 . . . . 68 PRO CG . 15280 1 372 . 1 1 38 38 LEU H H 1 8.974 0.010 . 1 . . . . 69 LEU H . 15280 1 373 . 1 1 38 38 LEU HA H 1 4.201 0.010 . 1 . . . . 69 LEU HA . 15280 1 374 . 1 1 38 38 LEU HB2 H 1 1.656 0.010 . 1 . . . . 69 LEU HB2 . 15280 1 375 . 1 1 38 38 LEU HB3 H 1 1.549 0.010 . 1 . . . . 69 LEU HB3 . 15280 1 376 . 1 1 38 38 LEU HD11 H 1 0.865 0.010 . 1 . . . . 69 LEU QD1 . 15280 1 377 . 1 1 38 38 LEU HD12 H 1 0.865 0.010 . 1 . . . . 69 LEU QD1 . 15280 1 378 . 1 1 38 38 LEU HD13 H 1 0.865 0.010 . 1 . . . . 69 LEU QD1 . 15280 1 379 . 1 1 38 38 LEU HD21 H 1 0.906 0.010 . 1 . . . . 69 LEU QD2 . 15280 1 380 . 1 1 38 38 LEU HD22 H 1 0.906 0.010 . 1 . . . . 69 LEU QD2 . 15280 1 381 . 1 1 38 38 LEU HD23 H 1 0.906 0.010 . 1 . . . . 69 LEU QD2 . 15280 1 382 . 1 1 38 38 LEU HG H 1 1.459 0.010 . 1 . . . . 69 LEU HG . 15280 1 383 . 1 1 38 38 LEU C C 13 179.564 0.020 . 1 . . . . 69 LEU C . 15280 1 384 . 1 1 38 38 LEU CA C 13 57.915 0.020 . 1 . . . . 69 LEU CA . 15280 1 385 . 1 1 38 38 LEU CB C 13 42.447 0.020 . 1 . . . . 69 LEU CB . 15280 1 386 . 1 1 38 38 LEU CD1 C 13 23.9 0.020 . 1 . . . . 69 LEU CD1 . 15280 1 387 . 1 1 38 38 LEU CD2 C 13 25.717 0.020 . 1 . . . . 69 LEU CD2 . 15280 1 388 . 1 1 38 38 LEU CG C 13 27.612 0.020 . 1 . . . . 69 LEU CG . 15280 1 389 . 1 1 38 38 LEU N N 15 120.561 0.020 . 1 . . . . 69 LEU N . 15280 1 390 . 1 1 39 39 CYS H H 1 8.375 0.010 . 1 . . . . 70 CYS H . 15280 1 391 . 1 1 39 39 CYS HA H 1 3.863 0.010 . 1 . . . . 70 CYS HA . 15280 1 392 . 1 1 39 39 CYS HB2 H 1 2.729 0.010 . 1 . . . . 70 CYS HB2 . 15280 1 393 . 1 1 39 39 CYS HB3 H 1 4.475 0.010 . 1 . . . . 70 CYS HB3 . 15280 1 394 . 1 1 39 39 CYS C C 13 178.022 0.020 . 1 . . . . 70 CYS C . 15280 1 395 . 1 1 39 39 CYS CA C 13 63.859 0.020 . 1 . . . . 70 CYS CA . 15280 1 396 . 1 1 39 39 CYS CB C 13 34.141 0.020 . 1 . . . . 70 CYS CB . 15280 1 397 . 1 1 39 39 CYS N N 15 111.935 0.020 . 1 . . . . 70 CYS N . 15280 1 398 . 1 1 40 40 LEU H H 1 7.892 0.010 . 1 . . . . 71 LEU H . 15280 1 399 . 1 1 40 40 LEU HA H 1 3.84 0.010 . 1 . . . . 71 LEU HA . 15280 1 400 . 1 1 40 40 LEU HB2 H 1 1.578 0.010 . 1 . . . . 71 LEU HB2 . 15280 1 401 . 1 1 40 40 LEU HB3 H 1 2.035 0.010 . 1 . . . . 71 LEU HB3 . 15280 1 402 . 1 1 40 40 LEU HD11 H 1 1.166 0.010 . 1 . . . . 71 LEU QD1 . 15280 1 403 . 1 1 40 40 LEU HD12 H 1 1.166 0.010 . 1 . . . . 71 LEU QD1 . 15280 1 404 . 1 1 40 40 LEU HD13 H 1 1.166 0.010 . 1 . . . . 71 LEU QD1 . 15280 1 405 . 1 1 40 40 LEU HD21 H 1 1.18 0.010 . 1 . . . . 71 LEU QD2 . 15280 1 406 . 1 1 40 40 LEU HD22 H 1 1.18 0.010 . 1 . . . . 71 LEU QD2 . 15280 1 407 . 1 1 40 40 LEU HD23 H 1 1.18 0.010 . 1 . . . . 71 LEU QD2 . 15280 1 408 . 1 1 40 40 LEU HG H 1 2.849 0.010 . 1 . . . . 71 LEU HG . 15280 1 409 . 1 1 40 40 LEU C C 13 180.536 0.020 . 1 . . . . 71 LEU C . 15280 1 410 . 1 1 40 40 LEU CA C 13 57.915 0.020 . 1 . . . . 71 LEU CA . 15280 1 411 . 1 1 40 40 LEU CB C 13 40.923 0.020 . 1 . . . . 71 LEU CB . 15280 1 412 . 1 1 40 40 LEU CD1 C 13 23.616 0.020 . 1 . . . . 71 LEU CD1 . 15280 1 413 . 1 1 40 40 LEU CD2 C 13 25.674 0.020 . 1 . . . . 71 LEU CD2 . 15280 1 414 . 1 1 40 40 LEU CG C 13 27.256 0.020 . 1 . . . . 71 LEU CG . 15280 1 415 . 1 1 40 40 LEU N N 15 120.086 0.020 . 1 . . . . 71 LEU N . 15280 1 416 . 1 1 41 41 SER H H 1 8.085 0.010 . 1 . . . . 72 SER H . 15280 1 417 . 1 1 41 41 SER HA H 1 4.201 0.010 . 1 . . . . 72 SER HA . 15280 1 418 . 1 1 41 41 SER HB2 H 1 3.941 0.010 . 1 . . . . 72 SER QB . 15280 1 419 . 1 1 41 41 SER HB3 H 1 3.941 0.010 . 1 . . . . 72 SER QB . 15280 1 420 . 1 1 41 41 SER C C 13 176.242 0.020 . 1 . . . . 72 SER C . 15280 1 421 . 1 1 41 41 SER CA C 13 61.649 0.020 . 1 . . . . 72 SER CA . 15280 1 422 . 1 1 41 41 SER CB C 13 63.021 0.020 . 1 . . . . 72 SER CB . 15280 1 423 . 1 1 41 41 SER N N 15 116.51 0.020 . 1 . . . . 72 SER N . 15280 1 424 . 1 1 42 42 GLU H H 1 7.231 0.010 . 1 . . . . 73 GLU H . 15280 1 425 . 1 1 42 42 GLU HA H 1 4.076 0.010 . 1 . . . . 73 GLU HA . 15280 1 426 . 1 1 42 42 GLU HB2 H 1 1.791 0.010 . 1 . . . . 73 GLU HB2 . 15280 1 427 . 1 1 42 42 GLU HB3 H 1 1.349 0.010 . 1 . . . . 73 GLU HB3 . 15280 1 428 . 1 1 42 42 GLU HG2 H 1 2.573 0.010 . 1 . . . . 73 GLU HG2 . 15280 1 429 . 1 1 42 42 GLU HG3 H 1 2.02 0.010 . 1 . . . . 73 GLU HG3 . 15280 1 430 . 1 1 42 42 GLU C C 13 177.621 0.020 . 1 . . . . 73 GLU C . 15280 1 431 . 1 1 42 42 GLU CA C 13 56.738 0.020 . 1 . . . . 73 GLU CA . 15280 1 432 . 1 1 42 42 GLU CB C 13 32.236 0.020 . 1 . . . . 73 GLU CB . 15280 1 433 . 1 1 42 42 GLU CG C 13 36.472 0.020 . 1 . . . . 73 GLU CG . 15280 1 434 . 1 1 42 42 GLU N N 15 116.067 0.020 . 1 . . . . 73 GLU N . 15280 1 435 . 1 1 43 43 LEU H H 1 7.006 0.010 . 1 . . . . 74 LEU H . 15280 1 436 . 1 1 43 43 LEU HA H 1 2.999 0.010 . 1 . . . . 74 LEU HA . 15280 1 437 . 1 1 43 43 LEU HB2 H 1 -0.313 0.010 . 1 . . . . 74 LEU HB2 . 15280 1 438 . 1 1 43 43 LEU HB3 H 1 0.879 0.010 . 1 . . . . 74 LEU HB3 . 15280 1 439 . 1 1 43 43 LEU HD11 H 1 -0.845 0.010 . 1 . . . . 74 LEU QD1 . 15280 1 440 . 1 1 43 43 LEU HD12 H 1 -0.845 0.010 . 1 . . . . 74 LEU QD1 . 15280 1 441 . 1 1 43 43 LEU HD13 H 1 -0.845 0.010 . 1 . . . . 74 LEU QD1 . 15280 1 442 . 1 1 43 43 LEU HD21 H 1 0.378 0.010 . 1 . . . . 74 LEU QD2 . 15280 1 443 . 1 1 43 43 LEU HD22 H 1 0.378 0.010 . 1 . . . . 74 LEU QD2 . 15280 1 444 . 1 1 43 43 LEU HD23 H 1 0.378 0.010 . 1 . . . . 74 LEU QD2 . 15280 1 445 . 1 1 43 43 LEU HG H 1 1.467 0.010 . 1 . . . . 74 LEU HG . 15280 1 446 . 1 1 43 43 LEU C C 13 177.832 0.020 . 1 . . . . 74 LEU C . 15280 1 447 . 1 1 43 43 LEU CA C 13 59.668 0.020 . 1 . . . . 74 LEU CA . 15280 1 448 . 1 1 43 43 LEU CB C 13 39.856 0.020 . 1 . . . . 74 LEU CB . 15280 1 449 . 1 1 43 43 LEU CD1 C 13 20.751 0.020 . 1 . . . . 74 LEU CD1 . 15280 1 450 . 1 1 43 43 LEU CD2 C 13 26.552 0.020 . 1 . . . . 74 LEU CD2 . 15280 1 451 . 1 1 43 43 LEU CG C 13 25.64 0.020 . 1 . . . . 74 LEU CG . 15280 1 452 . 1 1 43 43 LEU N N 15 123.179 0.020 . 1 . . . . 74 LEU N . 15280 1 453 . 1 1 44 44 GLY H H 1 8.304 0.010 . 1 . . . . 75 GLY H . 15280 1 454 . 1 1 44 44 GLY HA2 H 1 3.61 0.010 . 1 . . . . 75 GLY HA2 . 15280 1 455 . 1 1 44 44 GLY HA3 H 1 3.835 0.010 . 1 . . . . 75 GLY HA3 . 15280 1 456 . 1 1 44 44 GLY C C 13 177.41 0.020 . 1 . . . . 75 GLY C . 15280 1 457 . 1 1 44 44 GLY CA C 13 47.483 0.020 . 1 . . . . 75 GLY CA . 15280 1 458 . 1 1 44 44 GLY N N 15 105.202 0.020 . 1 . . . . 75 GLY N . 15280 1 459 . 1 1 45 45 GLN H H 1 7.94 0.010 . 1 . . . . 76 GLN H . 15280 1 460 . 1 1 45 45 GLN HA H 1 3.765 0.010 . 1 . . . . 76 GLN HA . 15280 1 461 . 1 1 45 45 GLN HB2 H 1 1.663 0.010 . 1 . . . . 76 GLN HB2 . 15280 1 462 . 1 1 45 45 GLN HB3 H 1 1.787 0.010 . 1 . . . . 76 GLN HB3 . 15280 1 463 . 1 1 45 45 GLN HG2 H 1 1.83 0.010 . 1 . . . . 76 GLN HG2 . 15280 1 464 . 1 1 45 45 GLN HG3 H 1 1.496 0.010 . 1 . . . . 76 GLN HG3 . 15280 1 465 . 1 1 45 45 GLN C C 13 176.438 0.020 . 1 . . . . 76 GLN C . 15280 1 466 . 1 1 45 45 GLN CA C 13 58.601 0.020 . 1 . . . . 76 GLN CA . 15280 1 467 . 1 1 45 45 GLN CB C 13 29.188 0.020 . 1 . . . . 76 GLN CB . 15280 1 468 . 1 1 45 45 GLN CG C 13 34.423 0.020 . 1 . . . . 76 GLN CG . 15280 1 469 . 1 1 45 45 GLN N N 15 123.478 0.020 . 1 . . . . 76 GLN N . 15280 1 470 . 1 1 46 46 THR H H 1 7.546 0.010 . 1 . . . . 77 THR H . 15280 1 471 . 1 1 46 46 THR HA H 1 2.774 0.010 . 1 . . . . 77 THR HA . 15280 1 472 . 1 1 46 46 THR HB H 1 3.486 0.010 . 1 . . . . 77 THR HB . 15280 1 473 . 1 1 46 46 THR HG21 H 1 0.749 0.010 . 1 . . . . 77 THR QG2 . 15280 1 474 . 1 1 46 46 THR HG22 H 1 0.749 0.010 . 1 . . . . 77 THR QG2 . 15280 1 475 . 1 1 46 46 THR HG23 H 1 0.749 0.010 . 1 . . . . 77 THR QG2 . 15280 1 476 . 1 1 46 46 THR C C 13 175.519 0.020 . 1 . . . . 77 THR C . 15280 1 477 . 1 1 46 46 THR CA C 13 66.983 0.020 . 1 . . . . 77 THR CA . 15280 1 478 . 1 1 46 46 THR CB C 13 68.126 0.020 . 1 . . . . 77 THR CB . 15280 1 479 . 1 1 46 46 THR CG2 C 13 23.29 0.020 . 1 . . . . 77 THR CG2 . 15280 1 480 . 1 1 46 46 THR N N 15 114.337 0.020 . 1 . . . . 77 THR N . 15280 1 481 . 1 1 47 47 GLU H H 1 7.996 0.010 . 1 . . . . 78 GLU H . 15280 1 482 . 1 1 47 47 GLU HA H 1 3.316 0.010 . 1 . . . . 78 GLU HA . 15280 1 483 . 1 1 47 47 GLU HB2 H 1 2.233 0.010 . 1 . . . . 78 GLU HB2 . 15280 1 484 . 1 1 47 47 GLU HB3 H 1 1.669 0.010 . 1 . . . . 78 GLU HB3 . 15280 1 485 . 1 1 47 47 GLU HG2 H 1 1.943 0.010 . 1 . . . . 78 GLU QG . 15280 1 486 . 1 1 47 47 GLU HG3 H 1 1.943 0.010 . 1 . . . . 78 GLU QG . 15280 1 487 . 1 1 47 47 GLU C C 13 178.022 0.020 . 1 . . . . 78 GLU C . 15280 1 488 . 1 1 47 47 GLU CA C 13 60.294 0.020 . 1 . . . . 78 GLU CA . 15280 1 489 . 1 1 47 47 GLU CB C 13 30.255 0.020 . 1 . . . . 78 GLU CB . 15280 1 490 . 1 1 47 47 GLU CG C 13 37.079 0.020 . 1 . . . . 78 GLU CG . 15280 1 491 . 1 1 47 47 GLU N N 15 121.53 0.020 . 1 . . . . 78 GLU N . 15280 1 492 . 1 1 48 48 LYS H H 1 7.324 0.010 . 1 . . . . 79 LYS H . 15280 1 493 . 1 1 48 48 LYS HA H 1 3.893 0.010 . 1 . . . . 79 LYS HA . 15280 1 494 . 1 1 48 48 LYS HB2 H 1 1.985 0.010 . 1 . . . . 79 LYS QB . 15280 1 495 . 1 1 48 48 LYS HB3 H 1 1.985 0.010 . 1 . . . . 79 LYS QB . 15280 1 496 . 1 1 48 48 LYS C C 13 180.938 0.020 . 1 . . . . 79 LYS C . 15280 1 497 . 1 1 48 48 LYS CA C 13 60.278 0.020 . 1 . . . . 79 LYS CA . 15280 1 498 . 1 1 48 48 LYS CB C 13 32.084 0.020 . 1 . . . . 79 LYS CB . 15280 1 499 . 1 1 48 48 LYS N N 15 119.119 0.020 . 1 . . . . 79 LYS N . 15280 1 500 . 1 1 49 49 TRP H H 1 8.195 0.010 . 1 . . . . 80 TRP H . 15280 1 501 . 1 1 49 49 TRP HA H 1 4.277 0.010 . 1 . . . . 80 TRP HA . 15280 1 502 . 1 1 49 49 TRP HB2 H 1 1.53 0.010 . 1 . . . . 80 TRP HB2 . 15280 1 503 . 1 1 49 49 TRP HB3 H 1 2.813 0.010 . 1 . . . . 80 TRP HB3 . 15280 1 504 . 1 1 49 49 TRP HE1 H 1 9.994 0.010 . 1 . . . . 80 TRP HE1 . 15280 1 505 . 1 1 49 49 TRP C C 13 178.213 0.020 . 1 . . . . 80 TRP C . 15280 1 506 . 1 1 49 49 TRP CA C 13 58.601 0.020 . 1 . . . . 80 TRP CA . 15280 1 507 . 1 1 49 49 TRP CB C 13 28.655 0.020 . 1 . . . . 80 TRP CB . 15280 1 508 . 1 1 49 49 TRP N N 15 121.806 0.020 . 1 . . . . 80 TRP N . 15280 1 509 . 1 1 49 49 TRP NE1 N 15 126.673 0.020 . 1 . . . . 80 TRP NE1 . 15280 1 510 . 1 1 50 50 ALA H H 1 7.757 0.010 . 1 . . . . 81 ALA H . 15280 1 511 . 1 1 50 50 ALA HA H 1 3.91 0.010 . 1 . . . . 81 ALA HA . 15280 1 512 . 1 1 50 50 ALA HB1 H 1 1.422 0.010 . 1 . . . . 81 ALA QB . 15280 1 513 . 1 1 50 50 ALA HB2 H 1 1.422 0.010 . 1 . . . . 81 ALA QB . 15280 1 514 . 1 1 50 50 ALA HB3 H 1 1.422 0.010 . 1 . . . . 81 ALA QB . 15280 1 515 . 1 1 50 50 ALA C C 13 179.374 0.020 . 1 . . . . 81 ALA C . 15280 1 516 . 1 1 50 50 ALA CA C 13 54.944 0.020 . 1 . . . . 81 ALA CA . 15280 1 517 . 1 1 50 50 ALA CB C 13 18.216 0.020 . 1 . . . . 81 ALA CB . 15280 1 518 . 1 1 50 50 ALA N N 15 116.063 0.020 . 1 . . . . 81 ALA N . 15280 1 519 . 1 1 51 51 GLN H H 1 7.266 0.010 . 1 . . . . 82 GLN H . 15280 1 520 . 1 1 51 51 GLN HA H 1 4.475 0.010 . 1 . . . . 82 GLN HA . 15280 1 521 . 1 1 51 51 GLN HB2 H 1 2.276 0.010 . 1 . . . . 82 GLN HB2 . 15280 1 522 . 1 1 51 51 GLN HB3 H 1 1.99 0.010 . 1 . . . . 82 GLN HB3 . 15280 1 523 . 1 1 51 51 GLN HG2 H 1 2.393 0.010 . 1 . . . . 82 GLN QG . 15280 1 524 . 1 1 51 51 GLN HG3 H 1 2.393 0.010 . 1 . . . . 82 GLN QG . 15280 1 525 . 1 1 51 51 GLN C C 13 175.361 0.020 . 1 . . . . 82 GLN C . 15280 1 526 . 1 1 51 51 GLN CA C 13 55.325 0.020 . 1 . . . . 82 GLN CA . 15280 1 527 . 1 1 51 51 GLN CB C 13 32.236 0.020 . 1 . . . . 82 GLN CB . 15280 1 528 . 1 1 51 51 GLN CG C 13 34.799 0.020 . 1 . . . . 82 GLN CG . 15280 1 529 . 1 1 51 51 GLN N N 15 113.689 0.020 . 1 . . . . 82 GLN N . 15280 1 530 . 1 1 52 52 ASP H H 1 7.729 0.010 . 1 . . . . 83 ASP H . 15280 1 531 . 1 1 52 52 ASP HA H 1 4.567 0.010 . 1 . . . . 83 ASP HA . 15280 1 532 . 1 1 52 52 ASP HB2 H 1 2.926 0.010 . 1 . . . . 83 ASP HB2 . 15280 1 533 . 1 1 52 52 ASP HB3 H 1 3.24 0.010 . 1 . . . . 83 ASP HB3 . 15280 1 534 . 1 1 52 52 ASP C C 13 178.783 0.020 . 1 . . . . 83 ASP C . 15280 1 535 . 1 1 52 52 ASP CA C 13 54.944 0.020 . 1 . . . . 83 ASP CA . 15280 1 536 . 1 1 52 52 ASP CB C 13 44.352 0.020 . 1 . . . . 83 ASP CB . 15280 1 537 . 1 1 52 52 ASP N N 15 123.431 0.020 . 1 . . . . 83 ASP N . 15280 1 538 . 1 1 53 53 ALA H H 1 9.242 0.010 . 1 . . . . 84 ALA H . 15280 1 539 . 1 1 53 53 ALA HA H 1 4.17 0.010 . 1 . . . . 84 ALA HA . 15280 1 540 . 1 1 53 53 ALA HB1 H 1 1.449 0.010 . 1 . . . . 84 ALA QB . 15280 1 541 . 1 1 53 53 ALA HB2 H 1 1.449 0.010 . 1 . . . . 84 ALA QB . 15280 1 542 . 1 1 53 53 ALA HB3 H 1 1.449 0.010 . 1 . . . . 84 ALA QB . 15280 1 543 . 1 1 53 53 ALA C C 13 181.106 0.020 . 1 . . . . 84 ALA C . 15280 1 544 . 1 1 53 53 ALA CA C 13 55.706 0.020 . 1 . . . . 84 ALA CA . 15280 1 545 . 1 1 53 53 ALA CB C 13 18.978 0.020 . 1 . . . . 84 ALA CB . 15280 1 546 . 1 1 53 53 ALA N N 15 133.599 0.020 . 1 . . . . 84 ALA N . 15280 1 547 . 1 1 54 54 LYS H H 1 9.511 0.010 . 1 . . . . 85 LYS H . 15280 1 548 . 1 1 54 54 LYS HA H 1 3.903 0.010 . 1 . . . . 85 LYS HA . 15280 1 549 . 1 1 54 54 LYS HB2 H 1 1.315 0.010 . 1 . . . . 85 LYS HB2 . 15280 1 550 . 1 1 54 54 LYS HB3 H 1 1.477 0.010 . 1 . . . . 85 LYS HB3 . 15280 1 551 . 1 1 54 54 LYS HE2 H 1 2.764 0.010 . 1 . . . . 85 LYS HE2 . 15280 1 552 . 1 1 54 54 LYS HE3 H 1 2.694 0.010 . 1 . . . . 85 LYS HE3 . 15280 1 553 . 1 1 54 54 LYS C C 13 178.191 0.020 . 1 . . . . 85 LYS C . 15280 1 554 . 1 1 54 54 LYS CA C 13 59.82 0.020 . 1 . . . . 85 LYS CA . 15280 1 555 . 1 1 54 54 LYS CB C 13 32.084 0.020 . 1 . . . . 85 LYS CB . 15280 1 556 . 1 1 54 54 LYS CE C 13 41.477 0.020 . 1 . . . . 85 LYS CE . 15280 1 557 . 1 1 54 54 LYS N N 15 119.002 0.020 . 1 . . . . 85 LYS N . 15280 1 558 . 1 1 55 55 PHE H H 1 7.836 0.010 . 1 . . . . 86 PHE H . 15280 1 559 . 1 1 55 55 PHE HA H 1 4.17 0.010 . 1 . . . . 86 PHE HA . 15280 1 560 . 1 1 55 55 PHE HB2 H 1 3.209 0.010 . 1 . . . . 86 PHE QB . 15280 1 561 . 1 1 55 55 PHE HB3 H 1 3.209 0.010 . 1 . . . . 86 PHE QB . 15280 1 562 . 1 1 55 55 PHE C C 13 176.628 0.020 . 1 . . . . 86 PHE C . 15280 1 563 . 1 1 55 55 PHE CA C 13 59.211 0.020 . 1 . . . . 86 PHE CA . 15280 1 564 . 1 1 55 55 PHE CB C 13 39.856 0.020 . 1 . . . . 86 PHE CB . 15280 1 565 . 1 1 55 55 PHE N N 15 116.604 0.020 . 1 . . . . 86 PHE N . 15280 1 566 . 1 1 56 56 SER H H 1 7.528 0.010 . 1 . . . . 87 SER H . 15280 1 567 . 1 1 56 56 SER HA H 1 4.216 0.010 . 1 . . . . 87 SER HA . 15280 1 568 . 1 1 56 56 SER HB2 H 1 3.987 0.010 . 1 . . . . 87 SER QB . 15280 1 569 . 1 1 56 56 SER HB3 H 1 3.987 0.010 . 1 . . . . 87 SER QB . 15280 1 570 . 1 1 56 56 SER C C 13 175.128 0.020 . 1 . . . . 87 SER C . 15280 1 571 . 1 1 56 56 SER CA C 13 61.954 0.020 . 1 . . . . 87 SER CA . 15280 1 572 . 1 1 56 56 SER CB C 13 63.935 0.020 . 1 . . . . 87 SER CB . 15280 1 573 . 1 1 56 56 SER N N 15 113.462 0.020 . 1 . . . . 87 SER N . 15280 1 574 . 1 1 57 57 SER H H 1 7.995 0.010 . 1 . . . . 88 SER H . 15280 1 575 . 1 1 57 57 SER HA H 1 4.246 0.010 . 1 . . . . 88 SER HA . 15280 1 576 . 1 1 57 57 SER HB2 H 1 3.746 0.010 . 1 . . . . 88 SER HB2 . 15280 1 577 . 1 1 57 57 SER HB3 H 1 3.857 0.010 . 1 . . . . 88 SER HB3 . 15280 1 578 . 1 1 57 57 SER C C 13 172.699 0.020 . 1 . . . . 88 SER C . 15280 1 579 . 1 1 57 57 SER CA C 13 59.744 0.020 . 1 . . . . 88 SER CA . 15280 1 580 . 1 1 57 57 SER CB C 13 63.478 0.020 . 1 . . . . 88 SER CB . 15280 1 581 . 1 1 57 57 SER N N 15 116.22 0.020 . 1 . . . . 88 SER N . 15280 1 582 . 1 1 58 58 ALA H H 1 8.089 0.010 . 1 . . . . 89 ALA H . 15280 1 583 . 1 1 58 58 ALA HA H 1 4.826 0.010 . 1 . . . . 89 ALA HA . 15280 1 584 . 1 1 58 58 ALA HB1 H 1 1.181 0.010 . 1 . . . . 89 ALA QB . 15280 1 585 . 1 1 58 58 ALA HB2 H 1 1.181 0.010 . 1 . . . . 89 ALA QB . 15280 1 586 . 1 1 58 58 ALA HB3 H 1 1.181 0.010 . 1 . . . . 89 ALA QB . 15280 1 587 . 1 1 58 58 ALA C C 13 176.692 0.020 . 1 . . . . 89 ALA C . 15280 1 588 . 1 1 58 58 ALA CA C 13 50.676 0.020 . 1 . . . . 89 ALA CA . 15280 1 589 . 1 1 58 58 ALA CB C 13 23.093 0.020 . 1 . . . . 89 ALA CB . 15280 1 590 . 1 1 58 58 ALA N N 15 122.334 0.020 . 1 . . . . 89 ALA N . 15280 1 591 . 1 1 59 59 ASN H H 1 9.152 0.010 . 1 . . . . 90 ASN H . 15280 1 592 . 1 1 59 59 ASN HA H 1 4.963 0.010 . 1 . . . . 90 ASN HA . 15280 1 593 . 1 1 59 59 ASN HB2 H 1 2.63 0.010 . 1 . . . . 90 ASN HB2 . 15280 1 594 . 1 1 59 59 ASN HB3 H 1 2.904 0.010 . 1 . . . . 90 ASN HB3 . 15280 1 595 . 1 1 59 59 ASN C C 13 174.093 0.020 . 1 . . . . 90 ASN C . 15280 1 596 . 1 1 59 59 ASN CA C 13 52.962 0.020 . 1 . . . . 90 ASN CA . 15280 1 597 . 1 1 59 59 ASN CB C 13 40.161 0.020 . 1 . . . . 90 ASN CB . 15280 1 598 . 1 1 59 59 ASN N N 15 116.698 0.020 . 1 . . . . 90 ASN N . 15280 1 599 . 1 1 60 60 LEU H H 1 8.462 0.010 . 1 . . . . 91 LEU H . 15280 1 600 . 1 1 60 60 LEU HA H 1 5.39 0.010 . 1 . . . . 91 LEU HA . 15280 1 601 . 1 1 60 60 LEU HB2 H 1 1.447 0.010 . 1 . . . . 91 LEU HB2 . 15280 1 602 . 1 1 60 60 LEU HB3 H 1 1.708 0.010 . 1 . . . . 91 LEU HB3 . 15280 1 603 . 1 1 60 60 LEU HD11 H 1 0.673 0.010 . 1 . . . . 91 LEU QD1 . 15280 1 604 . 1 1 60 60 LEU HD12 H 1 0.673 0.010 . 1 . . . . 91 LEU QD1 . 15280 1 605 . 1 1 60 60 LEU HD13 H 1 0.673 0.010 . 1 . . . . 91 LEU QD1 . 15280 1 606 . 1 1 60 60 LEU HD21 H 1 0.868 0.010 . 1 . . . . 91 LEU QD2 . 15280 1 607 . 1 1 60 60 LEU HD22 H 1 0.868 0.010 . 1 . . . . 91 LEU QD2 . 15280 1 608 . 1 1 60 60 LEU HD23 H 1 0.868 0.010 . 1 . . . . 91 LEU QD2 . 15280 1 609 . 1 1 60 60 LEU HG H 1 1.574 0.010 . 1 . . . . 91 LEU HG . 15280 1 610 . 1 1 60 60 LEU C C 13 175.762 0.020 . 1 . . . . 91 LEU C . 15280 1 611 . 1 1 60 60 LEU CA C 13 55.629 0.020 . 1 . . . . 91 LEU CA . 15280 1 612 . 1 1 60 60 LEU CB C 13 44.504 0.020 . 1 . . . . 91 LEU CB . 15280 1 613 . 1 1 60 60 LEU CD1 C 13 25.303 0.020 . 1 . . . . 91 LEU CD1 . 15280 1 614 . 1 1 60 60 LEU CD2 C 13 26.326 0.020 . 1 . . . . 91 LEU CD2 . 15280 1 615 . 1 1 60 60 LEU CG C 13 29.754 0.020 . 1 . . . . 91 LEU CG . 15280 1 616 . 1 1 60 60 LEU N N 15 127.76 0.020 . 1 . . . . 91 LEU N . 15280 1 617 . 1 1 61 61 ILE H H 1 8.552 0.010 . 1 . . . . 92 ILE H . 15280 1 618 . 1 1 61 61 ILE HA H 1 4.432 0.010 . 1 . . . . 92 ILE HA . 15280 1 619 . 1 1 61 61 ILE HB H 1 1.365 0.010 . 1 . . . . 92 ILE HB . 15280 1 620 . 1 1 61 61 ILE HD11 H 1 0.497 0.010 . 1 . . . . 92 ILE QD1 . 15280 1 621 . 1 1 61 61 ILE HD12 H 1 0.497 0.010 . 1 . . . . 92 ILE QD1 . 15280 1 622 . 1 1 61 61 ILE HD13 H 1 0.497 0.010 . 1 . . . . 92 ILE QD1 . 15280 1 623 . 1 1 61 61 ILE HG12 H 1 0.994 0.010 . 1 . . . . 92 ILE QG1 . 15280 1 624 . 1 1 61 61 ILE HG13 H 1 0.994 0.010 . 1 . . . . 92 ILE QG1 . 15280 1 625 . 1 1 61 61 ILE HG21 H 1 0.592 0.010 . 1 . . . . 92 ILE QG2 . 15280 1 626 . 1 1 61 61 ILE HG22 H 1 0.592 0.010 . 1 . . . . 92 ILE QG2 . 15280 1 627 . 1 1 61 61 ILE HG23 H 1 0.592 0.010 . 1 . . . . 92 ILE QG2 . 15280 1 628 . 1 1 61 61 ILE C C 13 173.122 0.020 . 1 . . . . 92 ILE C . 15280 1 629 . 1 1 61 61 ILE CA C 13 59.058 0.020 . 1 . . . . 92 ILE CA . 15280 1 630 . 1 1 61 61 ILE CB C 13 43.819 0.020 . 1 . . . . 92 ILE CB . 15280 1 631 . 1 1 61 61 ILE CD1 C 13 14.683 0.020 . 1 . . . . 92 ILE CD1 . 15280 1 632 . 1 1 61 61 ILE CG1 C 13 27.047 0.020 . 1 . . . . 92 ILE CG1 . 15280 1 633 . 1 1 61 61 ILE CG2 C 13 18.609 0.020 . 1 . . . . 92 ILE CG2 . 15280 1 634 . 1 1 61 61 ILE N N 15 117.511 0.020 . 1 . . . . 92 ILE N . 15280 1 635 . 1 1 62 62 THR H H 1 6.859 0.010 . 1 . . . . 93 THR H . 15280 1 636 . 1 1 62 62 THR HA H 1 5.328 0.010 . 1 . . . . 93 THR HA . 15280 1 637 . 1 1 62 62 THR HB H 1 4.073 0.010 . 1 . . . . 93 THR HB . 15280 1 638 . 1 1 62 62 THR HG21 H 1 0.741 0.010 . 1 . . . . 93 THR QG2 . 15280 1 639 . 1 1 62 62 THR HG22 H 1 0.741 0.010 . 1 . . . . 93 THR QG2 . 15280 1 640 . 1 1 62 62 THR HG23 H 1 0.741 0.010 . 1 . . . . 93 THR QG2 . 15280 1 641 . 1 1 62 62 THR C C 13 172.256 0.020 . 1 . . . . 93 THR C . 15280 1 642 . 1 1 62 62 THR CA C 13 59.202 0.020 . 1 . . . . 93 THR CA . 15280 1 643 . 1 1 62 62 THR CB C 13 70.641 0.020 . 1 . . . . 93 THR CB . 15280 1 644 . 1 1 62 62 THR CG2 C 13 21.605 0.020 . 1 . . . . 93 THR CG2 . 15280 1 645 . 1 1 62 62 THR N N 15 111.24 0.020 . 1 . . . . 93 THR N . 15280 1 646 . 1 1 63 63 VAL H H 1 8.672 0.010 . 1 . . . . 94 VAL H . 15280 1 647 . 1 1 63 63 VAL HA H 1 4.694 0.010 . 1 . . . . 94 VAL HA . 15280 1 648 . 1 1 63 63 VAL HB H 1 0.922 0.010 . 1 . . . . 94 VAL HB . 15280 1 649 . 1 1 63 63 VAL HG11 H 1 0.584 0.010 . 1 . . . . 94 VAL QG1 . 15280 1 650 . 1 1 63 63 VAL HG12 H 1 0.584 0.010 . 1 . . . . 94 VAL QG1 . 15280 1 651 . 1 1 63 63 VAL HG13 H 1 0.584 0.010 . 1 . . . . 94 VAL QG1 . 15280 1 652 . 1 1 63 63 VAL HG21 H 1 0.175 0.010 . 1 . . . . 94 VAL QG2 . 15280 1 653 . 1 1 63 63 VAL HG22 H 1 0.175 0.010 . 1 . . . . 94 VAL QG2 . 15280 1 654 . 1 1 63 63 VAL HG23 H 1 0.175 0.010 . 1 . . . . 94 VAL QG2 . 15280 1 655 . 1 1 63 63 VAL C C 13 174.283 0.020 . 1 . . . . 94 VAL C . 15280 1 656 . 1 1 63 63 VAL CA C 13 61.04 0.020 . 1 . . . . 94 VAL CA . 15280 1 657 . 1 1 63 63 VAL CB C 13 35.97 0.020 . 1 . . . . 94 VAL CB . 15280 1 658 . 1 1 63 63 VAL CG1 C 13 22.262 0.020 . 1 . . . . 94 VAL CG1 . 15280 1 659 . 1 1 63 63 VAL CG2 C 13 22.262 0.020 . 1 . . . . 94 VAL CG2 . 15280 1 660 . 1 1 63 63 VAL N N 15 122.198 0.020 . 1 . . . . 94 VAL N . 15280 1 661 . 1 1 64 64 ALA H H 1 7.974 0.010 . 1 . . . . 95 ALA H . 15280 1 662 . 1 1 64 64 ALA HA H 1 3.957 0.010 . 1 . . . . 95 ALA HA . 15280 1 663 . 1 1 64 64 ALA HB1 H 1 -0.343 0.010 . 1 . . . . 95 ALA QB . 15280 1 664 . 1 1 64 64 ALA HB2 H 1 -0.343 0.010 . 1 . . . . 95 ALA QB . 15280 1 665 . 1 1 64 64 ALA HB3 H 1 -0.343 0.010 . 1 . . . . 95 ALA QB . 15280 1 666 . 1 1 64 64 ALA C C 13 176.839 0.020 . 1 . . . . 95 ALA C . 15280 1 667 . 1 1 64 64 ALA CA C 13 49.457 0.020 . 1 . . . . 95 ALA CA . 15280 1 668 . 1 1 64 64 ALA CB C 13 22.559 0.020 . 1 . . . . 95 ALA CB . 15280 1 669 . 1 1 64 64 ALA N N 15 129.104 0.020 . 1 . . . . 95 ALA N . 15280 1 670 . 1 1 65 65 SER H H 1 8.931 0.010 . 1 . . . . 96 SER H . 15280 1 671 . 1 1 65 65 SER HA H 1 4.795 0.010 . 1 . . . . 96 SER HA . 15280 1 672 . 1 1 65 65 SER HB2 H 1 3.395 0.010 . 1 . . . . 96 SER HB2 . 15280 1 673 . 1 1 65 65 SER HB3 H 1 4.124 0.010 . 1 . . . . 96 SER HB3 . 15280 1 674 . 1 1 65 65 SER CA C 13 55.401 0.020 . 1 . . . . 96 SER CA . 15280 1 675 . 1 1 65 65 SER CB C 13 65.154 0.020 . 1 . . . . 96 SER CB . 15280 1 676 . 1 1 65 65 SER N N 15 118.115 0.020 . 1 . . . . 96 SER N . 15280 1 677 . 1 1 66 66 PRO HA H 1 4.053 0.010 . 1 . . . . 97 PRO HA . 15280 1 678 . 1 1 66 66 PRO HB2 H 1 2.312 0.010 . 1 . . . . 97 PRO QB . 15280 1 679 . 1 1 66 66 PRO HB3 H 1 2.312 0.010 . 1 . . . . 97 PRO QB . 15280 1 680 . 1 1 66 66 PRO HD2 H 1 2.923 0.010 . 1 . . . . 97 PRO QD . 15280 1 681 . 1 1 66 66 PRO HD3 H 1 2.923 0.010 . 1 . . . . 97 PRO QD . 15280 1 682 . 1 1 66 66 PRO C C 13 176.782 0.020 . 1 . . . . 97 PRO C . 15280 1 683 . 1 1 66 66 PRO CA C 13 64.392 0.020 . 1 . . . . 97 PRO CA . 15280 1 684 . 1 1 66 66 PRO CB C 13 32.008 0.020 . 1 . . . . 97 PRO CB . 15280 1 685 . 1 1 66 66 PRO CD C 13 50.144 0.020 . 1 . . . . 97 PRO CD . 15280 1 686 . 1 1 67 67 GLY H H 1 7.022 0.010 . 1 . . . . 98 GLY H . 15280 1 687 . 1 1 67 67 GLY HA2 H 1 3.484 0.010 . 1 . . . . 98 GLY HA2 . 15280 1 688 . 1 1 67 67 GLY HA3 H 1 4.148 0.010 . 1 . . . . 98 GLY HA3 . 15280 1 689 . 1 1 67 67 GLY C C 13 173.454 0.020 . 1 . . . . 98 GLY C . 15280 1 690 . 1 1 67 67 GLY CA C 13 46.257 0.020 . 1 . . . . 98 GLY CA . 15280 1 691 . 1 1 67 67 GLY N N 15 109.457 0.020 . 1 . . . . 98 GLY N . 15280 1 692 . 1 1 68 68 PHE H H 1 7.929 0.010 . 1 . . . . 99 PHE H . 15280 1 693 . 1 1 68 68 PHE HA H 1 4.795 0.010 . 1 . . . . 99 PHE HA . 15280 1 694 . 1 1 68 68 PHE HB2 H 1 2.257 0.010 . 1 . . . . 99 PHE HB2 . 15280 1 695 . 1 1 68 68 PHE HB3 H 1 3.028 0.010 . 1 . . . . 99 PHE HB3 . 15280 1 696 . 1 1 68 68 PHE C C 13 176.248 0.020 . 1 . . . . 99 PHE C . 15280 1 697 . 1 1 68 68 PHE CA C 13 56.115 0.020 . 1 . . . . 99 PHE CA . 15280 1 698 . 1 1 68 68 PHE CB C 13 41.304 0.020 . 1 . . . . 99 PHE CB . 15280 1 699 . 1 1 68 68 PHE N N 15 122.503 0.020 . 1 . . . . 99 PHE N . 15280 1 700 . 1 1 69 69 LEU H H 1 8.875 0.010 . 1 . . . . 100 LEU H . 15280 1 701 . 1 1 69 69 LEU HA H 1 3.169 0.010 . 1 . . . . 100 LEU HA . 15280 1 702 . 1 1 69 69 LEU HB2 H 1 1.536 0.010 . 1 . . . . 100 LEU HB2 . 15280 1 703 . 1 1 69 69 LEU HB3 H 1 0.987 0.010 . 1 . . . . 100 LEU HB3 . 15280 1 704 . 1 1 69 69 LEU HD11 H 1 0.306 0.010 . 1 . . . . 100 LEU QD1 . 15280 1 705 . 1 1 69 69 LEU HD12 H 1 0.306 0.010 . 1 . . . . 100 LEU QD1 . 15280 1 706 . 1 1 69 69 LEU HD13 H 1 0.306 0.010 . 1 . . . . 100 LEU QD1 . 15280 1 707 . 1 1 69 69 LEU HD21 H 1 0.038 0.010 . 1 . . . . 100 LEU QD2 . 15280 1 708 . 1 1 69 69 LEU HD22 H 1 0.038 0.010 . 1 . . . . 100 LEU QD2 . 15280 1 709 . 1 1 69 69 LEU HD23 H 1 0.038 0.010 . 1 . . . . 100 LEU QD2 . 15280 1 710 . 1 1 69 69 LEU HG H 1 0.306 0.010 . 1 . . . . 100 LEU HG . 15280 1 711 . 1 1 69 69 LEU C C 13 176.375 0.020 . 1 . . . . 100 LEU C . 15280 1 712 . 1 1 69 69 LEU CA C 13 55.706 0.020 . 1 . . . . 100 LEU CA . 15280 1 713 . 1 1 69 69 LEU CB C 13 40.237 0.020 . 1 . . . . 100 LEU CB . 15280 1 714 . 1 1 69 69 LEU CD1 C 13 22.834 0.020 . 1 . . . . 100 LEU CD1 . 15280 1 715 . 1 1 69 69 LEU CD2 C 13 25.909 0.020 . 1 . . . . 100 LEU CD2 . 15280 1 716 . 1 1 69 69 LEU CG C 13 25.193 0.020 . 1 . . . . 100 LEU CG . 15280 1 717 . 1 1 69 69 LEU N N 15 132.024 0.020 . 1 . . . . 100 LEU N . 15280 1 718 . 1 1 70 70 HIS H H 1 8.16 0.010 . 1 . . . . 101 HIS H . 15280 1 719 . 1 1 70 70 HIS HA H 1 3.847 0.010 . 1 . . . . 101 HIS HA . 15280 1 720 . 1 1 70 70 HIS HB2 H 1 2.895 0.010 . 1 . . . . 101 HIS QB . 15280 1 721 . 1 1 70 70 HIS HB3 H 1 2.895 0.010 . 1 . . . . 101 HIS QB . 15280 1 722 . 1 1 70 70 HIS C C 13 175.826 0.020 . 1 . . . . 101 HIS C . 15280 1 723 . 1 1 70 70 HIS CA C 13 57.915 0.020 . 1 . . . . 101 HIS CA . 15280 1 724 . 1 1 70 70 HIS CB C 13 27.283 0.020 . 1 . . . . 101 HIS CB . 15280 1 725 . 1 1 70 70 HIS N N 15 106.93 0.020 . 1 . . . . 101 HIS N . 15280 1 726 . 1 1 71 71 GLU H H 1 7.809 0.010 . 1 . . . . 102 GLU H . 15280 1 727 . 1 1 71 71 GLU HA H 1 4.397 0.010 . 1 . . . . 102 GLU HA . 15280 1 728 . 1 1 71 71 GLU HB2 H 1 2.356 0.010 . 1 . . . . 102 GLU HB2 . 15280 1 729 . 1 1 71 71 GLU HB3 H 1 1.974 0.010 . 1 . . . . 102 GLU HB3 . 15280 1 730 . 1 1 71 71 GLU C C 13 175.889 0.020 . 1 . . . . 102 GLU C . 15280 1 731 . 1 1 71 71 GLU CA C 13 56.304 0.020 . 1 . . . . 102 GLU CA . 15280 1 732 . 1 1 71 71 GLU CB C 13 31.246 0.020 . 1 . . . . 102 GLU CB . 15280 1 733 . 1 1 71 71 GLU CG C 13 35.468 0.020 . 1 . . . . 102 GLU CG . 15280 1 734 . 1 1 71 71 GLU N N 15 120.338 0.020 . 1 . . . . 102 GLU N . 15280 1 735 . 1 1 72 72 LYS H H 1 10.095 0.010 . 1 . . . . 103 LYS H . 15280 1 736 . 1 1 72 72 LYS HA H 1 4.048 0.010 . 1 . . . . 103 LYS HA . 15280 1 737 . 1 1 72 72 LYS HD2 H 1 1.392 0.010 . 1 . . . . 103 LYS HD2 . 15280 1 738 . 1 1 72 72 LYS HD3 H 1 1.029 0.010 . 1 . . . . 103 LYS HD3 . 15280 1 739 . 1 1 72 72 LYS HE2 H 1 2.173 0.010 . 1 . . . . 103 LYS QE . 15280 1 740 . 1 1 72 72 LYS HE3 H 1 2.173 0.010 . 1 . . . . 103 LYS QE . 15280 1 741 . 1 1 72 72 LYS C C 13 176.659 0.020 . 1 . . . . 103 LYS C . 15280 1 742 . 1 1 72 72 LYS CA C 13 58.144 0.020 . 1 . . . . 103 LYS CA . 15280 1 743 . 1 1 72 72 LYS CB C 13 35.208 0.020 . 1 . . . . 103 LYS CB . 15280 1 744 . 1 1 72 72 LYS CD C 13 30.682 0.020 . 1 . . . . 103 LYS CD . 15280 1 745 . 1 1 72 72 LYS CE C 13 41.516 0.020 . 1 . . . . 103 LYS CE . 15280 1 746 . 1 1 72 72 LYS N N 15 129.089 0.020 . 1 . . . . 103 LYS N . 15280 1 747 . 1 1 73 73 LYS H H 1 8.573 0.010 . 1 . . . . 104 LYS H . 15280 1 748 . 1 1 73 73 LYS HA H 1 3.962 0.010 . 1 . . . . 104 LYS HA . 15280 1 749 . 1 1 73 73 LYS HB2 H 1 1.868 0.010 . 1 . . . . 104 LYS QB . 15280 1 750 . 1 1 73 73 LYS HB3 H 1 1.868 0.010 . 1 . . . . 104 LYS QB . 15280 1 751 . 1 1 73 73 LYS HD2 H 1 1.669 0.010 . 1 . . . . 104 LYS QD . 15280 1 752 . 1 1 73 73 LYS HD3 H 1 1.669 0.010 . 1 . . . . 104 LYS QD . 15280 1 753 . 1 1 73 73 LYS HE2 H 1 2.982 0.010 . 1 . . . . 104 LYS QE . 15280 1 754 . 1 1 73 73 LYS HE3 H 1 2.982 0.010 . 1 . . . . 104 LYS QE . 15280 1 755 . 1 1 73 73 LYS HG2 H 1 1.504 0.010 . 1 . . . . 104 LYS QG . 15280 1 756 . 1 1 73 73 LYS HG3 H 1 1.504 0.010 . 1 . . . . 104 LYS QG . 15280 1 757 . 1 1 73 73 LYS C C 13 176.435 0.020 . 1 . . . . 104 LYS C . 15280 1 758 . 1 1 73 73 LYS CA C 13 56.62 0.020 . 1 . . . . 104 LYS CA . 15280 1 759 . 1 1 73 73 LYS CB C 13 33.989 0.020 . 1 . . . . 104 LYS CB . 15280 1 760 . 1 1 73 73 LYS CD C 13 29.662 0.020 . 1 . . . . 104 LYS CD . 15280 1 761 . 1 1 73 73 LYS CE C 13 42.517 0.020 . 1 . . . . 104 LYS CE . 15280 1 762 . 1 1 73 73 LYS CG C 13 25.48 0.020 . 1 . . . . 104 LYS CG . 15280 1 763 . 1 1 73 73 LYS N N 15 119.846 0.020 . 1 . . . . 104 LYS N . 15280 1 764 . 1 1 74 74 ASP H H 1 9.008 0.010 . 1 . . . . 105 ASP H . 15280 1 765 . 1 1 74 74 ASP HA H 1 4.322 0.010 . 1 . . . . 105 ASP HA . 15280 1 766 . 1 1 74 74 ASP HB2 H 1 2.371 0.010 . 1 . . . . 105 ASP HB2 . 15280 1 767 . 1 1 74 74 ASP HB3 H 1 2.523 0.010 . 1 . . . . 105 ASP HB3 . 15280 1 768 . 1 1 74 74 ASP C C 13 177.811 0.020 . 1 . . . . 105 ASP C . 15280 1 769 . 1 1 74 74 ASP CA C 13 57.763 0.020 . 1 . . . . 105 ASP CA . 15280 1 770 . 1 1 74 74 ASP CB C 13 41.761 0.020 . 1 . . . . 105 ASP CB . 15280 1 771 . 1 1 74 74 ASP N N 15 122.554 0.020 . 1 . . . . 105 ASP N . 15280 1 772 . 1 1 75 75 GLY H H 1 9.526 0.010 . 1 . . . . 106 GLY H . 15280 1 773 . 1 1 75 75 GLY HA2 H 1 4.612 0.010 . 1 . . . . 106 GLY HA2 . 15280 1 774 . 1 1 75 75 GLY HA3 H 1 3.362 0.010 . 1 . . . . 106 GLY HA3 . 15280 1 775 . 1 1 75 75 GLY C C 13 176.44 0.020 . 1 . . . . 106 GLY C . 15280 1 776 . 1 1 75 75 GLY CA C 13 46.867 0.020 . 1 . . . . 106 GLY CA . 15280 1 777 . 1 1 75 75 GLY N N 15 118.737 0.020 . 1 . . . . 106 GLY N . 15280 1 778 . 1 1 76 76 ASP H H 1 7.31 0.010 . 1 . . . . 107 ASP H . 15280 1 779 . 1 1 76 76 ASP HA H 1 4.429 0.010 . 1 . . . . 107 ASP HA . 15280 1 780 . 1 1 76 76 ASP HB2 H 1 2.645 0.010 . 1 . . . . 107 ASP HB2 . 15280 1 781 . 1 1 76 76 ASP HB3 H 1 2.904 0.010 . 1 . . . . 107 ASP HB3 . 15280 1 782 . 1 1 76 76 ASP C C 13 180.379 0.020 . 1 . . . . 107 ASP C . 15280 1 783 . 1 1 76 76 ASP CA C 13 57.611 0.020 . 1 . . . . 107 ASP CA . 15280 1 784 . 1 1 76 76 ASP CB C 13 40.542 0.020 . 1 . . . . 107 ASP CB . 15280 1 785 . 1 1 76 76 ASP N N 15 123.289 0.020 . 1 . . . . 107 ASP N . 15280 1 786 . 1 1 77 77 PHE H H 1 9.023 0.010 . 1 . . . . 108 PHE H . 15280 1 787 . 1 1 77 77 PHE HA H 1 3.804 0.010 . 1 . . . . 108 PHE HA . 15280 1 788 . 1 1 77 77 PHE HB2 H 1 2.645 0.010 . 1 . . . . 108 PHE HB2 . 15280 1 789 . 1 1 77 77 PHE HB3 H 1 2.95 0.010 . 1 . . . . 108 PHE HB3 . 15280 1 790 . 1 1 77 77 PHE C C 13 176.44 0.020 . 1 . . . . 108 PHE C . 15280 1 791 . 1 1 77 77 PHE CA C 13 63.935 0.020 . 1 . . . . 108 PHE CA . 15280 1 792 . 1 1 77 77 PHE CB C 13 38.561 0.020 . 1 . . . . 108 PHE CB . 15280 1 793 . 1 1 77 77 PHE N N 15 121.015 0.020 . 1 . . . . 108 PHE N . 15280 1 794 . 1 1 78 78 GLN H H 1 10.253 0.010 . 1 . . . . 109 GLN H . 15280 1 795 . 1 1 78 78 GLN HA H 1 3.664 0.010 . 1 . . . . 109 GLN HA . 15280 1 796 . 1 1 78 78 GLN HB2 H 1 2.218 0.010 . 1 . . . . 109 GLN QB . 15280 1 797 . 1 1 78 78 GLN HB3 H 1 2.218 0.010 . 1 . . . . 109 GLN QB . 15280 1 798 . 1 1 78 78 GLN HG2 H 1 3.362 0.010 . 1 . . . . 109 GLN HG2 . 15280 1 799 . 1 1 78 78 GLN HG3 H 1 2.246 0.010 . 1 . . . . 109 GLN HG3 . 15280 1 800 . 1 1 78 78 GLN C C 13 179.175 0.020 . 1 . . . . 109 GLN C . 15280 1 801 . 1 1 78 78 GLN CA C 13 62.411 0.020 . 1 . . . . 109 GLN CA . 15280 1 802 . 1 1 78 78 GLN CB C 13 27.36 0.020 . 1 . . . . 109 GLN CB . 15280 1 803 . 1 1 78 78 GLN CG C 13 36.747 0.020 . 1 . . . . 109 GLN CG . 15280 1 804 . 1 1 78 78 GLN N N 15 121.105 0.020 . 1 . . . . 109 GLN N . 15280 1 805 . 1 1 79 79 LYS H H 1 7.704 0.010 . 1 . . . . 110 LYS H . 15280 1 806 . 1 1 79 79 LYS HA H 1 3.992 0.010 . 1 . . . . 110 LYS HA . 15280 1 807 . 1 1 79 79 LYS HB2 H 1 1.864 0.010 . 1 . . . . 110 LYS QB . 15280 1 808 . 1 1 79 79 LYS HB3 H 1 1.864 0.010 . 1 . . . . 110 LYS QB . 15280 1 809 . 1 1 79 79 LYS HD2 H 1 1.629 0.010 . 1 . . . . 110 LYS QD . 15280 1 810 . 1 1 79 79 LYS HD3 H 1 1.629 0.010 . 1 . . . . 110 LYS QD . 15280 1 811 . 1 1 79 79 LYS HE2 H 1 2.899 0.010 . 1 . . . . 110 LYS QE . 15280 1 812 . 1 1 79 79 LYS HE3 H 1 2.899 0.010 . 1 . . . . 110 LYS QE . 15280 1 813 . 1 1 79 79 LYS HG2 H 1 1.374 0.010 . 1 . . . . 110 LYS QG . 15280 1 814 . 1 1 79 79 LYS HG3 H 1 1.374 0.010 . 1 . . . . 110 LYS QG . 15280 1 815 . 1 1 79 79 LYS C C 13 178.991 0.020 . 1 . . . . 110 LYS C . 15280 1 816 . 1 1 79 79 LYS CA C 13 59.92 0.020 . 1 . . . . 110 LYS CA . 15280 1 817 . 1 1 79 79 LYS CB C 13 33.075 0.020 . 1 . . . . 110 LYS CB . 15280 1 818 . 1 1 79 79 LYS CD C 13 29.752 0.020 . 1 . . . . 110 LYS CD . 15280 1 819 . 1 1 79 79 LYS CE C 13 42.517 0.020 . 1 . . . . 110 LYS CE . 15280 1 820 . 1 1 79 79 LYS CG C 13 24.692 0.020 . 1 . . . . 110 LYS CG . 15280 1 821 . 1 1 79 79 LYS N N 15 120.487 0.020 . 1 . . . . 110 LYS N . 15280 1 822 . 1 1 80 80 TRP H H 1 7.759 0.010 . 1 . . . . 111 TRP H . 15280 1 823 . 1 1 80 80 TRP HA H 1 4.022 0.010 . 1 . . . . 111 TRP HA . 15280 1 824 . 1 1 80 80 TRP HB2 H 1 3.375 0.010 . 1 . . . . 111 TRP HB2 . 15280 1 825 . 1 1 80 80 TRP HB3 H 1 3.187 0.010 . 1 . . . . 111 TRP HB3 . 15280 1 826 . 1 1 80 80 TRP HE1 H 1 10.15 0.010 . 1 . . . . 111 TRP HE1 . 15280 1 827 . 1 1 80 80 TRP C C 13 178.787 0.020 . 1 . . . . 111 TRP C . 15280 1 828 . 1 1 80 80 TRP CA C 13 61.421 0.020 . 1 . . . . 111 TRP CA . 15280 1 829 . 1 1 80 80 TRP CB C 13 27.741 0.020 . 1 . . . . 111 TRP CB . 15280 1 830 . 1 1 80 80 TRP N N 15 121.02 0.020 . 1 . . . . 111 TRP N . 15280 1 831 . 1 1 80 80 TRP NE1 N 15 131.199 0.020 . 1 . . . . 111 TRP NE1 . 15280 1 832 . 1 1 81 81 TYR H H 1 8.892 0.010 . 1 . . . . 112 TYR H . 15280 1 833 . 1 1 81 81 TYR HA H 1 2.676 0.010 . 1 . . . . 112 TYR HA . 15280 1 834 . 1 1 81 81 TYR HB2 H 1 2.424 0.010 . 1 . . . . 112 TYR QB . 15280 1 835 . 1 1 81 81 TYR HB3 H 1 2.424 0.010 . 1 . . . . 112 TYR QB . 15280 1 836 . 1 1 81 81 TYR C C 13 177.419 0.020 . 1 . . . . 112 TYR C . 15280 1 837 . 1 1 81 81 TYR CA C 13 61.421 0.020 . 1 . . . . 112 TYR CA . 15280 1 838 . 1 1 81 81 TYR CB C 13 38.561 0.020 . 1 . . . . 112 TYR CB . 15280 1 839 . 1 1 81 81 TYR N N 15 121.07 0.020 . 1 . . . . 112 TYR N . 15280 1 840 . 1 1 82 82 ALA H H 1 7.513 0.010 . 1 . . . . 113 ALA H . 15280 1 841 . 1 1 82 82 ALA HA H 1 3.828 0.010 . 1 . . . . 113 ALA HA . 15280 1 842 . 1 1 82 82 ALA HB1 H 1 1.336 0.010 . 1 . . . . 113 ALA QB . 15280 1 843 . 1 1 82 82 ALA HB2 H 1 1.336 0.010 . 1 . . . . 113 ALA QB . 15280 1 844 . 1 1 82 82 ALA HB3 H 1 1.336 0.010 . 1 . . . . 113 ALA QB . 15280 1 845 . 1 1 82 82 ALA C C 13 178.766 0.020 . 1 . . . . 113 ALA C . 15280 1 846 . 1 1 82 82 ALA CA C 13 54.105 0.020 . 1 . . . . 113 ALA CA . 15280 1 847 . 1 1 82 82 ALA CB C 13 18.368 0.020 . 1 . . . . 113 ALA CB . 15280 1 848 . 1 1 82 82 ALA N N 15 119.428 0.020 . 1 . . . . 113 ALA N . 15280 1 849 . 1 1 83 83 GLY H H 1 7.134 0.010 . 1 . . . . 114 GLY H . 15280 1 850 . 1 1 83 83 GLY HA2 H 1 3.865 0.010 . 1 . . . . 114 GLY HA2 . 15280 1 851 . 1 1 83 83 GLY HA3 H 1 3.453 0.010 . 1 . . . . 114 GLY HA3 . 15280 1 852 . 1 1 83 83 GLY C C 13 174.113 0.020 . 1 . . . . 114 GLY C . 15280 1 853 . 1 1 83 83 GLY CA C 13 45.419 0.020 . 1 . . . . 114 GLY CA . 15280 1 854 . 1 1 83 83 GLY N N 15 102.936 0.020 . 1 . . . . 114 GLY N . 15280 1 855 . 1 1 84 84 LEU H H 1 7.135 0.010 . 1 . . . . 115 LEU H . 15280 1 856 . 1 1 84 84 LEU HA H 1 3.955 0.010 . 1 . . . . 115 LEU HA . 15280 1 857 . 1 1 84 84 LEU HB2 H 1 1.107 0.010 . 1 . . . . 115 LEU QB . 15280 1 858 . 1 1 84 84 LEU HB3 H 1 1.107 0.010 . 1 . . . . 115 LEU QB . 15280 1 859 . 1 1 84 84 LEU HD11 H 1 0.214 0.010 . 1 . . . . 115 LEU QD1 . 15280 1 860 . 1 1 84 84 LEU HD12 H 1 0.214 0.010 . 1 . . . . 115 LEU QD1 . 15280 1 861 . 1 1 84 84 LEU HD13 H 1 0.214 0.010 . 1 . . . . 115 LEU QD1 . 15280 1 862 . 1 1 84 84 LEU HD21 H 1 0.443 0.010 . 1 . . . . 115 LEU QD2 . 15280 1 863 . 1 1 84 84 LEU HD22 H 1 0.443 0.010 . 1 . . . . 115 LEU QD2 . 15280 1 864 . 1 1 84 84 LEU HD23 H 1 0.443 0.010 . 1 . . . . 115 LEU QD2 . 15280 1 865 . 1 1 84 84 LEU HG H 1 0.929 0.010 . 1 . . . . 115 LEU HG . 15280 1 866 . 1 1 84 84 LEU C C 13 176.236 0.020 . 1 . . . . 115 LEU C . 15280 1 867 . 1 1 84 84 LEU CA C 13 54.639 0.020 . 1 . . . . 115 LEU CA . 15280 1 868 . 1 1 84 84 LEU CB C 13 42.066 0.020 . 1 . . . . 115 LEU CB . 15280 1 869 . 1 1 84 84 LEU CD1 C 13 25.087 0.020 . 1 . . . . 115 LEU CD1 . 15280 1 870 . 1 1 84 84 LEU CD2 C 13 23.215 0.020 . 1 . . . . 115 LEU CD2 . 15280 1 871 . 1 1 84 84 LEU CG C 13 28.047 0.020 . 1 . . . . 115 LEU CG . 15280 1 872 . 1 1 84 84 LEU N N 15 121.828 0.020 . 1 . . . . 115 LEU N . 15280 1 873 . 1 1 85 85 ASN H H 1 7.454 0.010 . 1 . . . . 116 ASN H . 15280 1 874 . 1 1 85 85 ASN HA H 1 4.561 0.010 . 1 . . . . 116 ASN HA . 15280 1 875 . 1 1 85 85 ASN HB2 H 1 2.382 0.010 . 1 . . . . 116 ASN HB2 . 15280 1 876 . 1 1 85 85 ASN HB3 H 1 2.081 0.010 . 1 . . . . 116 ASN HB3 . 15280 1 877 . 1 1 85 85 ASN C C 13 173.113 0.020 . 1 . . . . 116 ASN C . 15280 1 878 . 1 1 85 85 ASN CA C 13 52.124 0.020 . 1 . . . . 116 ASN CA . 15280 1 879 . 1 1 85 85 ASN CB C 13 38.866 0.020 . 1 . . . . 116 ASN CB . 15280 1 880 . 1 1 85 85 ASN N N 15 117.411 0.020 . 1 . . . . 116 ASN N . 15280 1 881 . 1 1 86 86 TYR H H 1 8.13 0.010 . 1 . . . . 117 TYR H . 15280 1 882 . 1 1 86 86 TYR HA H 1 4.665 0.010 . 1 . . . . 117 TYR HA . 15280 1 883 . 1 1 86 86 TYR HB2 H 1 2.587 0.010 . 1 . . . . 117 TYR QB . 15280 1 884 . 1 1 86 86 TYR HB3 H 1 2.587 0.010 . 1 . . . . 117 TYR QB . 15280 1 885 . 1 1 86 86 TYR C C 13 175.174 0.020 . 1 . . . . 117 TYR C . 15280 1 886 . 1 1 86 86 TYR CA C 13 56.239 0.020 . 1 . . . . 117 TYR CA . 15280 1 887 . 1 1 86 86 TYR CB C 13 37.342 0.020 . 1 . . . . 117 TYR CB . 15280 1 888 . 1 1 86 86 TYR N N 15 119.557 0.020 . 1 . . . . 117 TYR N . 15280 1 889 . 1 1 87 87 PRO HA H 1 4.265 0.010 . 1 . . . . 118 PRO HA . 15280 1 890 . 1 1 87 87 PRO HB2 H 1 1.866 0.010 . 1 . . . . 118 PRO HB2 . 15280 1 891 . 1 1 87 87 PRO HB3 H 1 2.229 0.010 . 1 . . . . 118 PRO HB3 . 15280 1 892 . 1 1 87 87 PRO HD2 H 1 3.627 0.010 . 1 . . . . 118 PRO HD2 . 15280 1 893 . 1 1 87 87 PRO HD3 H 1 3.096 0.010 . 1 . . . . 118 PRO HD3 . 15280 1 894 . 1 1 87 87 PRO HG2 H 1 1.757 0.010 . 1 . . . . 118 PRO HG2 . 15280 1 895 . 1 1 87 87 PRO HG3 H 1 1.851 0.010 . 1 . . . . 118 PRO HG3 . 15280 1 896 . 1 1 87 87 PRO C C 13 177.533 0.020 . 1 . . . . 118 PRO C . 15280 1 897 . 1 1 87 87 PRO CA C 13 65.459 0.020 . 1 . . . . 118 PRO CA . 15280 1 898 . 1 1 87 87 PRO CB C 13 32.667 0.020 . 1 . . . . 118 PRO CB . 15280 1 899 . 1 1 87 87 PRO CD C 13 50.443 0.020 . 1 . . . . 118 PRO CD . 15280 1 900 . 1 1 87 87 PRO CG C 13 27.682 0.020 . 1 . . . . 118 PRO CG . 15280 1 901 . 1 1 88 88 LYS H H 1 9.115 0.010 . 1 . . . . 119 LYS H . 15280 1 902 . 1 1 88 88 LYS HA H 1 4.414 0.010 . 1 . . . . 119 LYS HA . 15280 1 903 . 1 1 88 88 LYS HB2 H 1 1.865 0.010 . 1 . . . . 119 LYS HB2 . 15280 1 904 . 1 1 88 88 LYS HB3 H 1 1.667 0.010 . 1 . . . . 119 LYS HB3 . 15280 1 905 . 1 1 88 88 LYS C C 13 176.032 0.020 . 1 . . . . 119 LYS C . 15280 1 906 . 1 1 88 88 LYS CA C 13 54.944 0.020 . 1 . . . . 119 LYS CA . 15280 1 907 . 1 1 88 88 LYS CB C 13 32.008 0.020 . 1 . . . . 119 LYS CB . 15280 1 908 . 1 1 88 88 LYS N N 15 117.653 0.020 . 1 . . . . 119 LYS N . 15280 1 909 . 1 1 89 89 LEU H H 1 7.654 0.010 . 1 . . . . 120 LEU H . 15280 1 910 . 1 1 89 89 LEU HA H 1 4.26 0.010 . 1 . . . . 120 LEU HA . 15280 1 911 . 1 1 89 89 LEU HB2 H 1 2.166 0.010 . 1 . . . . 120 LEU HB2 . 15280 1 912 . 1 1 89 89 LEU HB3 H 1 0.751 0.010 . 1 . . . . 120 LEU HB3 . 15280 1 913 . 1 1 89 89 LEU HD11 H 1 0.346 0.010 . 1 . . . . 120 LEU QD1 . 15280 1 914 . 1 1 89 89 LEU HD12 H 1 0.346 0.010 . 1 . . . . 120 LEU QD1 . 15280 1 915 . 1 1 89 89 LEU HD13 H 1 0.346 0.010 . 1 . . . . 120 LEU QD1 . 15280 1 916 . 1 1 89 89 LEU HD21 H 1 0.373 0.010 . 1 . . . . 120 LEU QD2 . 15280 1 917 . 1 1 89 89 LEU HD22 H 1 0.373 0.010 . 1 . . . . 120 LEU QD2 . 15280 1 918 . 1 1 89 89 LEU HD23 H 1 0.373 0.010 . 1 . . . . 120 LEU QD2 . 15280 1 919 . 1 1 89 89 LEU C C 13 174.48 0.020 . 1 . . . . 120 LEU C . 15280 1 920 . 1 1 89 89 LEU CA C 13 52.277 0.020 . 1 . . . . 120 LEU CA . 15280 1 921 . 1 1 89 89 LEU CB C 13 44.733 0.020 . 1 . . . . 120 LEU CB . 15280 1 922 . 1 1 89 89 LEU CD1 C 13 24.162 0.020 . 1 . . . . 120 LEU CD1 . 15280 1 923 . 1 1 89 89 LEU CD2 C 13 27.271 0.020 . 1 . . . . 120 LEU CD2 . 15280 1 924 . 1 1 89 89 LEU N N 15 123.348 0.020 . 1 . . . . 120 LEU N . 15280 1 925 . 1 1 90 90 PRO HA H 1 4.05 0.010 . 1 . . . . 121 PRO HA . 15280 1 926 . 1 1 90 90 PRO HB2 H 1 1.317 0.010 . 1 . . . . 121 PRO QB . 15280 1 927 . 1 1 90 90 PRO HB3 H 1 1.317 0.010 . 1 . . . . 121 PRO QB . 15280 1 928 . 1 1 90 90 PRO HD2 H 1 3.064 0.010 . 1 . . . . 121 PRO QD . 15280 1 929 . 1 1 90 90 PRO HD3 H 1 3.064 0.010 . 1 . . . . 121 PRO QD . 15280 1 930 . 1 1 90 90 PRO HG2 H 1 2.159 0.010 . 1 . . . . 121 PRO HG2 . 15280 1 931 . 1 1 90 90 PRO HG3 H 1 1.413 0.010 . 1 . . . . 121 PRO HG3 . 15280 1 932 . 1 1 90 90 PRO C C 13 177.553 0.020 . 1 . . . . 121 PRO C . 15280 1 933 . 1 1 90 90 PRO CA C 13 62.846 0.020 . 1 . . . . 121 PRO CA . 15280 1 934 . 1 1 90 90 PRO CB C 13 32.16 0.020 . 1 . . . . 121 PRO CB . 15280 1 935 . 1 1 90 90 PRO CD C 13 51.734 0.020 . 1 . . . . 121 PRO CD . 15280 1 936 . 1 1 90 90 PRO CG C 13 28.671 0.020 . 1 . . . . 121 PRO CG . 15280 1 937 . 1 1 91 91 VAL H H 1 8.521 0.010 . 1 . . . . 122 VAL H . 15280 1 938 . 1 1 91 91 VAL HA H 1 4.112 0.010 . 1 . . . . 122 VAL HA . 15280 1 939 . 1 1 91 91 VAL HB H 1 1.755 0.010 . 1 . . . . 122 VAL HB . 15280 1 940 . 1 1 91 91 VAL HG11 H 1 0.473 0.010 . 1 . . . . 122 VAL QG1 . 15280 1 941 . 1 1 91 91 VAL HG12 H 1 0.473 0.010 . 1 . . . . 122 VAL QG1 . 15280 1 942 . 1 1 91 91 VAL HG13 H 1 0.473 0.010 . 1 . . . . 122 VAL QG1 . 15280 1 943 . 1 1 91 91 VAL HG21 H 1 0.746 0.010 . 1 . . . . 122 VAL QG2 . 15280 1 944 . 1 1 91 91 VAL HG22 H 1 0.746 0.010 . 1 . . . . 122 VAL QG2 . 15280 1 945 . 1 1 91 91 VAL HG23 H 1 0.746 0.010 . 1 . . . . 122 VAL QG2 . 15280 1 946 . 1 1 91 91 VAL C C 13 174.399 0.020 . 1 . . . . 122 VAL C . 15280 1 947 . 1 1 91 91 VAL CA C 13 62.64 0.020 . 1 . . . . 122 VAL CA . 15280 1 948 . 1 1 91 91 VAL CB C 13 34.294 0.020 . 1 . . . . 122 VAL CB . 15280 1 949 . 1 1 91 91 VAL CG1 C 13 21.426 0.020 . 1 . . . . 122 VAL CG1 . 15280 1 950 . 1 1 91 91 VAL CG2 C 13 21.534 0.020 . 1 . . . . 122 VAL CG2 . 15280 1 951 . 1 1 91 91 VAL N N 15 129.734 0.020 . 1 . . . . 122 VAL N . 15280 1 952 . 1 1 92 92 VAL H H 1 8.883 0.010 . 1 . . . . 123 VAL H . 15280 1 953 . 1 1 92 92 VAL HA H 1 4.265 0.010 . 1 . . . . 123 VAL HA . 15280 1 954 . 1 1 92 92 VAL HB H 1 1.913 0.010 . 1 . . . . 123 VAL HB . 15280 1 955 . 1 1 92 92 VAL HG11 H 1 0.719 0.010 . 1 . . . . 123 VAL QG1 . 15280 1 956 . 1 1 92 92 VAL HG12 H 1 0.719 0.010 . 1 . . . . 123 VAL QG1 . 15280 1 957 . 1 1 92 92 VAL HG13 H 1 0.719 0.010 . 1 . . . . 123 VAL QG1 . 15280 1 958 . 1 1 92 92 VAL HG21 H 1 0.784 0.010 . 1 . . . . 123 VAL QG2 . 15280 1 959 . 1 1 92 92 VAL HG22 H 1 0.784 0.010 . 1 . . . . 123 VAL QG2 . 15280 1 960 . 1 1 92 92 VAL HG23 H 1 0.784 0.010 . 1 . . . . 123 VAL QG2 . 15280 1 961 . 1 1 92 92 VAL C C 13 175.072 0.020 . 1 . . . . 123 VAL C . 15280 1 962 . 1 1 92 92 VAL CA C 13 61.725 0.020 . 1 . . . . 123 VAL CA . 15280 1 963 . 1 1 92 92 VAL CB C 13 33.76 0.020 . 1 . . . . 123 VAL CB . 15280 1 964 . 1 1 92 92 VAL CG1 C 13 21.316 0.020 . 1 . . . . 123 VAL CG1 . 15280 1 965 . 1 1 92 92 VAL CG2 C 13 23.043 0.020 . 1 . . . . 123 VAL CG2 . 15280 1 966 . 1 1 92 92 VAL N N 15 128.277 0.020 . 1 . . . . 123 VAL N . 15280 1 967 . 1 1 93 93 THR H H 1 8.58 0.010 . 1 . . . . 124 THR H . 15280 1 968 . 1 1 93 93 THR HA H 1 4.81 0.010 . 1 . . . . 124 THR HA . 15280 1 969 . 1 1 93 93 THR HB H 1 3.68 0.010 . 1 . . . . 124 THR HB . 15280 1 970 . 1 1 93 93 THR HG21 H 1 0.73 0.010 . 1 . . . . 124 THR QG2 . 15280 1 971 . 1 1 93 93 THR HG22 H 1 0.73 0.010 . 1 . . . . 124 THR QG2 . 15280 1 972 . 1 1 93 93 THR HG23 H 1 0.73 0.010 . 1 . . . . 124 THR QG2 . 15280 1 973 . 1 1 93 93 THR C C 13 173.521 0.020 . 1 . . . . 124 THR C . 15280 1 974 . 1 1 93 93 THR CA C 13 58.754 0.020 . 1 . . . . 124 THR CA . 15280 1 975 . 1 1 93 93 THR CB C 13 69.193 0.020 . 1 . . . . 124 THR CB . 15280 1 976 . 1 1 93 93 THR CG2 C 13 22.234 0.020 . 1 . . . . 124 THR CG2 . 15280 1 977 . 1 1 93 93 THR N N 15 114.523 0.020 . 1 . . . . 124 THR N . 15280 1 978 . 1 1 94 94 ASP H H 1 8.448 0.010 . 1 . . . . 125 ASP H . 15280 1 979 . 1 1 94 94 ASP HA H 1 4.771 0.010 . 1 . . . . 125 ASP HA . 15280 1 980 . 1 1 94 94 ASP HB2 H 1 2.708 0.010 . 1 . . . . 125 ASP HB2 . 15280 1 981 . 1 1 94 94 ASP HB3 H 1 1.95 0.010 . 1 . . . . 125 ASP HB3 . 15280 1 982 . 1 1 94 94 ASP C C 13 176.358 0.020 . 1 . . . . 125 ASP C . 15280 1 983 . 1 1 94 94 ASP CA C 13 51.134 0.020 . 1 . . . . 125 ASP CA . 15280 1 984 . 1 1 94 94 ASP CB C 13 42.064 0.020 . 1 . . . . 125 ASP CB . 15280 1 985 . 1 1 94 94 ASP N N 15 123.879 0.020 . 1 . . . . 125 ASP N . 15280 1 986 . 1 1 95 95 ASN H H 1 8.34 0.010 . 1 . . . . 126 ASN H . 15280 1 987 . 1 1 95 95 ASN HA H 1 4.414 0.010 . 1 . . . . 126 ASN HA . 15280 1 988 . 1 1 95 95 ASN HB2 H 1 2.731 0.010 . 1 . . . . 126 ASN QB . 15280 1 989 . 1 1 95 95 ASN HB3 H 1 2.731 0.010 . 1 . . . . 126 ASN QB . 15280 1 990 . 1 1 95 95 ASN C C 13 177.419 0.020 . 1 . . . . 126 ASN C . 15280 1 991 . 1 1 95 95 ASN CA C 13 55.782 0.020 . 1 . . . . 126 ASN CA . 15280 1 992 . 1 1 95 95 ASN CB C 13 38.104 0.020 . 1 . . . . 126 ASN CB . 15280 1 993 . 1 1 95 95 ASN N N 15 124.334 0.020 . 1 . . . . 126 ASN N . 15280 1 994 . 1 1 96 96 GLY H H 1 9.387 0.010 . 1 . . . . 127 GLY H . 15280 1 995 . 1 1 96 96 GLY HA2 H 1 4.155 0.010 . 1 . . . . 127 GLY HA2 . 15280 1 996 . 1 1 96 96 GLY HA3 H 1 3.423 0.010 . 1 . . . . 127 GLY HA3 . 15280 1 997 . 1 1 96 96 GLY C C 13 175.442 0.020 . 1 . . . . 127 GLY C . 15280 1 998 . 1 1 96 96 GLY CA C 13 45.495 0.020 . 1 . . . . 127 GLY CA . 15280 1 999 . 1 1 96 96 GLY N N 15 115.983 0.020 . 1 . . . . 127 GLY N . 15280 1 1000 . 1 1 97 97 GLY H H 1 8.645 0.010 . 1 . . . . 128 GLY H . 15280 1 1001 . 1 1 97 97 GLY HA2 H 1 2.695 0.010 . 1 . . . . 128 GLY HA2 . 15280 1 1002 . 1 1 97 97 GLY HA3 H 1 3.499 0.010 . 1 . . . . 128 GLY HA3 . 15280 1 1003 . 1 1 97 97 GLY C C 13 173.987 0.020 . 1 . . . . 128 GLY C . 15280 1 1004 . 1 1 97 97 GLY CA C 13 48.238 0.020 . 1 . . . . 128 GLY CA . 15280 1 1005 . 1 1 97 97 GLY N N 15 109.758 0.020 . 1 . . . . 128 GLY N . 15280 1 1006 . 1 1 98 98 THR H H 1 7.38 0.010 . 1 . . . . 129 THR H . 15280 1 1007 . 1 1 98 98 THR HA H 1 3.469 0.010 . 1 . . . . 129 THR HA . 15280 1 1008 . 1 1 98 98 THR HB H 1 3.953 0.010 . 1 . . . . 129 THR HB . 15280 1 1009 . 1 1 98 98 THR HG21 H 1 1.068 0.010 . 1 . . . . 129 THR QG2 . 15280 1 1010 . 1 1 98 98 THR HG22 H 1 1.068 0.010 . 1 . . . . 129 THR QG2 . 15280 1 1011 . 1 1 98 98 THR HG23 H 1 1.068 0.010 . 1 . . . . 129 THR QG2 . 15280 1 1012 . 1 1 98 98 THR C C 13 178.613 0.020 . 1 . . . . 129 THR C . 15280 1 1013 . 1 1 98 98 THR CA C 13 66.754 0.020 . 1 . . . . 129 THR CA . 15280 1 1014 . 1 1 98 98 THR CB C 13 68.583 0.020 . 1 . . . . 129 THR CB . 15280 1 1015 . 1 1 98 98 THR CG2 C 13 22.341 0.020 . 1 . . . . 129 THR CG2 . 15280 1 1016 . 1 1 98 98 THR N N 15 113.603 0.020 . 1 . . . . 129 THR N . 15280 1 1017 . 1 1 99 99 ILE H H 1 10.546 0.010 . 1 . . . . 130 ILE H . 15280 1 1018 . 1 1 99 99 ILE HA H 1 3.453 0.010 . 1 . . . . 130 ILE HA . 15280 1 1019 . 1 1 99 99 ILE HB H 1 1.752 0.010 . 1 . . . . 130 ILE HB . 15280 1 1020 . 1 1 99 99 ILE HD11 H 1 0.572 0.010 . 1 . . . . 130 ILE QD1 . 15280 1 1021 . 1 1 99 99 ILE HD12 H 1 0.572 0.010 . 1 . . . . 130 ILE QD1 . 15280 1 1022 . 1 1 99 99 ILE HD13 H 1 0.572 0.010 . 1 . . . . 130 ILE QD1 . 15280 1 1023 . 1 1 99 99 ILE HG12 H 1 0.794 0.010 . 1 . . . . 130 ILE QG1 . 15280 1 1024 . 1 1 99 99 ILE HG13 H 1 0.794 0.010 . 1 . . . . 130 ILE QG1 . 15280 1 1025 . 1 1 99 99 ILE HG21 H 1 1.071 0.010 . 1 . . . . 130 ILE QG2 . 15280 1 1026 . 1 1 99 99 ILE HG22 H 1 1.071 0.010 . 1 . . . . 130 ILE QG2 . 15280 1 1027 . 1 1 99 99 ILE HG23 H 1 1.071 0.010 . 1 . . . . 130 ILE QG2 . 15280 1 1028 . 1 1 99 99 ILE C C 13 178.979 0.020 . 1 . . . . 130 ILE C . 15280 1 1029 . 1 1 99 99 ILE CA C 13 65.916 0.020 . 1 . . . . 130 ILE CA . 15280 1 1030 . 1 1 99 99 ILE CB C 13 37.418 0.020 . 1 . . . . 130 ILE CB . 15280 1 1031 . 1 1 99 99 ILE CD1 C 13 14.135 0.020 . 1 . . . . 130 ILE CD1 . 15280 1 1032 . 1 1 99 99 ILE CG1 C 13 18.711 0.020 . 1 . . . . 130 ILE CG1 . 15280 1 1033 . 1 1 99 99 ILE CG2 C 13 22.117 0.020 . 1 . . . . 130 ILE CG2 . 15280 1 1034 . 1 1 99 99 ILE N N 15 127.138 0.020 . 1 . . . . 130 ILE N . 15280 1 1035 . 1 1 100 100 ALA H H 1 9.209 0.010 . 1 . . . . 131 ALA H . 15280 1 1036 . 1 1 100 100 ALA HA H 1 3.118 0.010 . 1 . . . . 131 ALA HA . 15280 1 1037 . 1 1 100 100 ALA HB1 H 1 0.968 0.010 . 1 . . . . 131 ALA QB . 15280 1 1038 . 1 1 100 100 ALA HB2 H 1 0.968 0.010 . 1 . . . . 131 ALA QB . 15280 1 1039 . 1 1 100 100 ALA HB3 H 1 0.968 0.010 . 1 . . . . 131 ALA QB . 15280 1 1040 . 1 1 100 100 ALA C C 13 180.732 0.020 . 1 . . . . 131 ALA C . 15280 1 1041 . 1 1 100 100 ALA CA C 13 56.087 0.020 . 1 . . . . 131 ALA CA . 15280 1 1042 . 1 1 100 100 ALA CB C 13 17.606 0.020 . 1 . . . . 131 ALA CB . 15280 1 1043 . 1 1 100 100 ALA N N 15 124.587 0.020 . 1 . . . . 131 ALA N . 15280 1 1044 . 1 1 101 101 GLN H H 1 8.17 0.010 . 1 . . . . 132 GLN H . 15280 1 1045 . 1 1 101 101 GLN HA H 1 3.987 0.010 . 1 . . . . 132 GLN HA . 15280 1 1046 . 1 1 101 101 GLN HB2 H 1 1.88 0.010 . 1 . . . . 132 GLN HB2 . 15280 1 1047 . 1 1 101 101 GLN HB3 H 1 1.775 0.010 . 1 . . . . 132 GLN HB3 . 15280 1 1048 . 1 1 101 101 GLN HG2 H 1 2.085 0.010 . 1 . . . . 132 GLN QG . 15280 1 1049 . 1 1 101 101 GLN HG3 H 1 2.085 0.010 . 1 . . . . 132 GLN QG . 15280 1 1050 . 1 1 101 101 GLN C C 13 180.531 0.020 . 1 . . . . 132 GLN C . 15280 1 1051 . 1 1 101 101 GLN CA C 13 59.82 0.020 . 1 . . . . 132 GLN CA . 15280 1 1052 . 1 1 101 101 GLN CB C 13 30.255 0.020 . 1 . . . . 132 GLN CB . 15280 1 1053 . 1 1 101 101 GLN N N 15 114.649 0.020 . 1 . . . . 132 GLN N . 15280 1 1054 . 1 1 102 102 SER H H 1 7.53 0.010 . 1 . . . . 133 SER H . 15280 1 1055 . 1 1 102 102 SER HA H 1 4.101 0.010 . 1 . . . . 133 SER HA . 15280 1 1056 . 1 1 102 102 SER HB2 H 1 3.893 0.010 . 1 . . . . 133 SER QB . 15280 1 1057 . 1 1 102 102 SER HB3 H 1 3.893 0.010 . 1 . . . . 133 SER QB . 15280 1 1058 . 1 1 102 102 SER C C 13 175.672 0.020 . 1 . . . . 133 SER C . 15280 1 1059 . 1 1 102 102 SER CA C 13 61.878 0.020 . 1 . . . . 133 SER CA . 15280 1 1060 . 1 1 102 102 SER CB C 13 63.173 0.020 . 1 . . . . 133 SER CB . 15280 1 1061 . 1 1 102 102 SER N N 15 117.622 0.020 . 1 . . . . 133 SER N . 15280 1 1062 . 1 1 103 103 LEU H H 1 7.415 0.010 . 1 . . . . 134 LEU H . 15280 1 1063 . 1 1 103 103 LEU HA H 1 4.184 0.010 . 1 . . . . 134 LEU HA . 15280 1 1064 . 1 1 103 103 LEU HB2 H 1 1.574 0.010 . 1 . . . . 134 LEU HB2 . 15280 1 1065 . 1 1 103 103 LEU HB3 H 1 1.191 0.010 . 1 . . . . 134 LEU HB3 . 15280 1 1066 . 1 1 103 103 LEU HD11 H 1 0.621 0.010 . 1 . . . . 134 LEU QD1 . 15280 1 1067 . 1 1 103 103 LEU HD12 H 1 0.621 0.010 . 1 . . . . 134 LEU QD1 . 15280 1 1068 . 1 1 103 103 LEU HD13 H 1 0.621 0.010 . 1 . . . . 134 LEU QD1 . 15280 1 1069 . 1 1 103 103 LEU HD21 H 1 0.701 0.010 . 1 . . . . 134 LEU QD2 . 15280 1 1070 . 1 1 103 103 LEU HD22 H 1 0.701 0.010 . 1 . . . . 134 LEU QD2 . 15280 1 1071 . 1 1 103 103 LEU HD23 H 1 0.701 0.010 . 1 . . . . 134 LEU QD2 . 15280 1 1072 . 1 1 103 103 LEU C C 13 175.786 0.020 . 1 . . . . 134 LEU C . 15280 1 1073 . 1 1 103 103 LEU CA C 13 54.957 0.020 . 1 . . . . 134 LEU CA . 15280 1 1074 . 1 1 103 103 LEU CB C 13 41.954 0.020 . 1 . . . . 134 LEU CB . 15280 1 1075 . 1 1 103 103 LEU CD1 C 13 25.907 0.020 . 1 . . . . 134 LEU CD1 . 15280 1 1076 . 1 1 103 103 LEU CD2 C 13 26.007 0.020 . 1 . . . . 134 LEU CD2 . 15280 1 1077 . 1 1 103 103 LEU N N 15 119.859 0.020 . 1 . . . . 134 LEU N . 15280 1 1078 . 1 1 104 104 ASN H H 1 7.707 0.010 . 1 . . . . 135 ASN H . 15280 1 1079 . 1 1 104 104 ASN HA H 1 4.169 0.010 . 1 . . . . 135 ASN HA . 15280 1 1080 . 1 1 104 104 ASN HB2 H 1 2.586 0.010 . 1 . . . . 135 ASN HB2 . 15280 1 1081 . 1 1 104 104 ASN HB3 H 1 2.982 0.010 . 1 . . . . 135 ASN HB3 . 15280 1 1082 . 1 1 104 104 ASN C C 13 174.809 0.020 . 1 . . . . 135 ASN C . 15280 1 1083 . 1 1 104 104 ASN CA C 13 54.486 0.020 . 1 . . . . 135 ASN CA . 15280 1 1084 . 1 1 104 104 ASN CB C 13 37.57 0.020 . 1 . . . . 135 ASN CB . 15280 1 1085 . 1 1 104 104 ASN N N 15 116.343 0.020 . 1 . . . . 135 ASN N . 15280 1 1086 . 1 1 105 105 ILE H H 1 8.069 0.010 . 1 . . . . 136 ILE H . 15280 1 1087 . 1 1 105 105 ILE HA H 1 3.837 0.010 . 1 . . . . 136 ILE HA . 15280 1 1088 . 1 1 105 105 ILE HB H 1 1.33 0.010 . 1 . . . . 136 ILE HB . 15280 1 1089 . 1 1 105 105 ILE HD11 H 1 0.13 0.010 . 1 . . . . 136 ILE QD1 . 15280 1 1090 . 1 1 105 105 ILE HD12 H 1 0.13 0.010 . 1 . . . . 136 ILE QD1 . 15280 1 1091 . 1 1 105 105 ILE HD13 H 1 0.13 0.010 . 1 . . . . 136 ILE QD1 . 15280 1 1092 . 1 1 105 105 ILE HG12 H 1 0.486 0.010 . 1 . . . . 136 ILE QG1 . 15280 1 1093 . 1 1 105 105 ILE HG13 H 1 0.486 0.010 . 1 . . . . 136 ILE QG1 . 15280 1 1094 . 1 1 105 105 ILE HG21 H 1 0.878 0.010 . 1 . . . . 136 ILE QG2 . 15280 1 1095 . 1 1 105 105 ILE HG22 H 1 0.878 0.010 . 1 . . . . 136 ILE QG2 . 15280 1 1096 . 1 1 105 105 ILE HG23 H 1 0.878 0.010 . 1 . . . . 136 ILE QG2 . 15280 1 1097 . 1 1 105 105 ILE C C 13 176.144 0.020 . 1 . . . . 136 ILE C . 15280 1 1098 . 1 1 105 105 ILE CA C 13 60.735 0.020 . 1 . . . . 136 ILE CA . 15280 1 1099 . 1 1 105 105 ILE CB C 13 37.113 0.020 . 1 . . . . 136 ILE CB . 15280 1 1100 . 1 1 105 105 ILE CD1 C 13 11.584 0.020 . 1 . . . . 136 ILE CD1 . 15280 1 1101 . 1 1 105 105 ILE CG1 C 13 17.193 0.020 . 1 . . . . 136 ILE CG1 . 15280 1 1102 . 1 1 105 105 ILE CG2 C 13 27.118 0.020 . 1 . . . . 136 ILE CG2 . 15280 1 1103 . 1 1 105 105 ILE N N 15 119.711 0.020 . 1 . . . . 136 ILE N . 15280 1 1104 . 1 1 106 106 SER HA H 1 3.453 0.010 . 1 . . . . 137 SER HA . 15280 1 1105 . 1 1 106 106 SER HB2 H 1 3.842 0.010 . 1 . . . . 137 SER QB . 15280 1 1106 . 1 1 106 106 SER HB3 H 1 3.842 0.010 . 1 . . . . 137 SER QB . 15280 1 1107 . 1 1 106 106 SER C C 13 172.736 0.020 . 1 . . . . 137 SER C . 15280 1 1108 . 1 1 106 106 SER CA C 13 57.642 0.020 . 1 . . . . 137 SER CA . 15280 1 1109 . 1 1 106 106 SER CB C 13 65.052 0.020 . 1 . . . . 137 SER CB . 15280 1 1110 . 1 1 107 107 VAL H H 1 7.036 0.010 . 1 . . . . 138 VAL H . 15280 1 1111 . 1 1 107 107 VAL HA H 1 4.144 0.010 . 1 . . . . 138 VAL HA . 15280 1 1112 . 1 1 107 107 VAL HB H 1 1.803 0.010 . 1 . . . . 138 VAL HB . 15280 1 1113 . 1 1 107 107 VAL HG11 H 1 0.788 0.010 . 1 . . . . 138 VAL QQG . 15280 1 1114 . 1 1 107 107 VAL HG12 H 1 0.788 0.010 . 1 . . . . 138 VAL QQG . 15280 1 1115 . 1 1 107 107 VAL HG13 H 1 0.788 0.010 . 1 . . . . 138 VAL QQG . 15280 1 1116 . 1 1 107 107 VAL HG21 H 1 0.788 0.010 . 1 . . . . 138 VAL QQG . 15280 1 1117 . 1 1 107 107 VAL HG22 H 1 0.788 0.010 . 1 . . . . 138 VAL QQG . 15280 1 1118 . 1 1 107 107 VAL HG23 H 1 0.788 0.010 . 1 . . . . 138 VAL QQG . 15280 1 1119 . 1 1 107 107 VAL C C 13 173.887 0.020 . 1 . . . . 138 VAL C . 15280 1 1120 . 1 1 107 107 VAL CA C 13 60.506 0.020 . 1 . . . . 138 VAL CA . 15280 1 1121 . 1 1 107 107 VAL CB C 13 35.742 0.020 . 1 . . . . 138 VAL CB . 15280 1 1122 . 1 1 107 107 VAL CG1 C 13 20.992 0.020 . 1 . . . . 138 VAL CG1 . 15280 1 1123 . 1 1 107 107 VAL CG2 C 13 20.992 0.020 . 1 . . . . 138 VAL CG2 . 15280 1 1124 . 1 1 107 107 VAL N N 15 118.886 0.020 . 1 . . . . 138 VAL N . 15280 1 1125 . 1 1 108 108 TYR H H 1 8.582 0.010 . 1 . . . . 139 TYR H . 15280 1 1126 . 1 1 108 108 TYR HA H 1 5.154 0.010 . 1 . . . . 139 TYR HA . 15280 1 1127 . 1 1 108 108 TYR HB2 H 1 2.847 0.010 . 1 . . . . 139 TYR HB2 . 15280 1 1128 . 1 1 108 108 TYR HB3 H 1 2.499 0.010 . 1 . . . . 139 TYR HB3 . 15280 1 1129 . 1 1 108 108 TYR C C 13 175.279 0.020 . 1 . . . . 139 TYR C . 15280 1 1130 . 1 1 108 108 TYR CA C 13 52.81 0.020 . 1 . . . . 139 TYR CA . 15280 1 1131 . 1 1 108 108 TYR CB C 13 40.999 0.020 . 1 . . . . 139 TYR CB . 15280 1 1132 . 1 1 108 108 TYR N N 15 121.646 0.020 . 1 . . . . 139 TYR N . 15280 1 1133 . 1 1 109 109 PRO HA H 1 5.126 0.010 . 1 . . . . 140 PRO HA . 15280 1 1134 . 1 1 109 109 PRO HB2 H 1 2.097 0.010 . 1 . . . . 140 PRO HB2 . 15280 1 1135 . 1 1 109 109 PRO HB3 H 1 1.783 0.010 . 1 . . . . 140 PRO HB3 . 15280 1 1136 . 1 1 109 109 PRO HD2 H 1 3.307 0.010 . 1 . . . . 140 PRO HD2 . 15280 1 1137 . 1 1 109 109 PRO HD3 H 1 3.598 0.010 . 1 . . . . 140 PRO HD3 . 15280 1 1138 . 1 1 109 109 PRO HG2 H 1 1.897 0.010 . 1 . . . . 140 PRO QG . 15280 1 1139 . 1 1 109 109 PRO HG3 H 1 1.897 0.010 . 1 . . . . 140 PRO QG . 15280 1 1140 . 1 1 109 109 PRO C C 13 177.059 0.020 . 1 . . . . 140 PRO C . 15280 1 1141 . 1 1 109 109 PRO CA C 13 63.741 0.020 . 1 . . . . 140 PRO CA . 15280 1 1142 . 1 1 109 109 PRO CB C 13 35.445 0.020 . 1 . . . . 140 PRO CB . 15280 1 1143 . 1 1 109 109 PRO CD C 13 50.554 0.020 . 1 . . . . 140 PRO CD . 15280 1 1144 . 1 1 109 109 PRO CG C 13 25.214 0.020 . 1 . . . . 140 PRO CG . 15280 1 1145 . 1 1 110 110 SER H H 1 7.938 0.010 . 1 . . . . 141 SER H . 15280 1 1146 . 1 1 110 110 SER HA H 1 5.422 0.010 . 1 . . . . 141 SER HA . 15280 1 1147 . 1 1 110 110 SER HB2 H 1 3.991 0.010 . 1 . . . . 141 SER HB2 . 15280 1 1148 . 1 1 110 110 SER HB3 H 1 3.728 0.010 . 1 . . . . 141 SER HB3 . 15280 1 1149 . 1 1 110 110 SER C C 13 175.749 0.020 . 1 . . . . 141 SER C . 15280 1 1150 . 1 1 110 110 SER CA C 13 60.963 0.020 . 1 . . . . 141 SER CA . 15280 1 1151 . 1 1 110 110 SER CB C 13 70.641 0.020 . 1 . . . . 141 SER CB . 15280 1 1152 . 1 1 110 110 SER N N 15 113.284 0.020 . 1 . . . . 141 SER N . 15280 1 1153 . 1 1 111 111 TRP H H 1 9.911 0.010 . 1 . . . . 142 TRP H . 15280 1 1154 . 1 1 111 111 TRP HA H 1 6.152 0.010 . 1 . . . . 142 TRP HA . 15280 1 1155 . 1 1 111 111 TRP HB2 H 1 3.011 0.010 . 1 . . . . 142 TRP HB2 . 15280 1 1156 . 1 1 111 111 TRP HB3 H 1 2.782 0.010 . 1 . . . . 142 TRP HB3 . 15280 1 1157 . 1 1 111 111 TRP HD1 H 1 7.716 0.010 . 1 . . . . 142 TRP HD1 . 15280 1 1158 . 1 1 111 111 TRP HE1 H 1 10.065 0.010 . 1 . . . . 142 TRP HE1 . 15280 1 1159 . 1 1 111 111 TRP HZ2 H 1 7.577 0.010 . 1 . . . . 142 TRP HZ2 . 15280 1 1160 . 1 1 111 111 TRP C C 13 175.467 0.020 . 1 . . . . 142 TRP C . 15280 1 1161 . 1 1 111 111 TRP CA C 13 56.315 0.020 . 1 . . . . 142 TRP CA . 15280 1 1162 . 1 1 111 111 TRP CB C 13 33.227 0.020 . 1 . . . . 142 TRP CB . 15280 1 1163 . 1 1 111 111 TRP N N 15 123.415 0.020 . 1 . . . . 142 TRP N . 15280 1 1164 . 1 1 111 111 TRP NE1 N 15 129 0.020 . 1 . . . . 142 TRP NE1 . 15280 1 1165 . 1 1 112 112 ALA H H 1 9.699 0.010 . 1 . . . . 143 ALA H . 15280 1 1166 . 1 1 112 112 ALA HA H 1 5.542 0.010 . 1 . . . . 143 ALA HA . 15280 1 1167 . 1 1 112 112 ALA HB1 H 1 1.395 0.010 . 1 . . . . 143 ALA QB . 15280 1 1168 . 1 1 112 112 ALA HB2 H 1 1.395 0.010 . 1 . . . . 143 ALA QB . 15280 1 1169 . 1 1 112 112 ALA HB3 H 1 1.395 0.010 . 1 . . . . 143 ALA QB . 15280 1 1170 . 1 1 112 112 ALA C C 13 174.677 0.020 . 1 . . . . 143 ALA C . 15280 1 1171 . 1 1 112 112 ALA CA C 13 50.676 0.020 . 1 . . . . 143 ALA CA . 15280 1 1172 . 1 1 112 112 ALA CB C 13 24.312 0.020 . 1 . . . . 143 ALA CB . 15280 1 1173 . 1 1 112 112 ALA N N 15 121.57 0.020 . 1 . . . . 143 ALA N . 15280 1 1174 . 1 1 113 113 LEU H H 1 9.074 0.010 . 1 . . . . 144 LEU H . 15280 1 1175 . 1 1 113 113 LEU HA H 1 5.245 0.010 . 1 . . . . 144 LEU HA . 15280 1 1176 . 1 1 113 113 LEU HB2 H 1 1.885 0.010 . 1 . . . . 144 LEU HB2 . 15280 1 1177 . 1 1 113 113 LEU HB3 H 1 1.057 0.010 . 1 . . . . 144 LEU HB3 . 15280 1 1178 . 1 1 113 113 LEU HD11 H 1 0.743 0.010 . 1 . . . . 144 LEU QD1 . 15280 1 1179 . 1 1 113 113 LEU HD12 H 1 0.743 0.010 . 1 . . . . 144 LEU QD1 . 15280 1 1180 . 1 1 113 113 LEU HD13 H 1 0.743 0.010 . 1 . . . . 144 LEU QD1 . 15280 1 1181 . 1 1 113 113 LEU HD21 H 1 0.811 0.010 . 1 . . . . 144 LEU QD2 . 15280 1 1182 . 1 1 113 113 LEU HD22 H 1 0.811 0.010 . 1 . . . . 144 LEU QD2 . 15280 1 1183 . 1 1 113 113 LEU HD23 H 1 0.811 0.010 . 1 . . . . 144 LEU QD2 . 15280 1 1184 . 1 1 113 113 LEU HG H 1 1.521 0.010 . 1 . . . . 144 LEU HG . 15280 1 1185 . 1 1 113 113 LEU C C 13 174.79 0.020 . 1 . . . . 144 LEU C . 15280 1 1186 . 1 1 113 113 LEU CA C 13 53.724 0.020 . 1 . . . . 144 LEU CA . 15280 1 1187 . 1 1 113 113 LEU CB C 13 45.8 0.020 . 1 . . . . 144 LEU CB . 15280 1 1188 . 1 1 113 113 LEU CD1 C 13 23.414 0.020 . 1 . . . . 144 LEU CD1 . 15280 1 1189 . 1 1 113 113 LEU CD2 C 13 27.322 0.020 . 1 . . . . 144 LEU CD2 . 15280 1 1190 . 1 1 113 113 LEU CG C 13 28.008 0.020 . 1 . . . . 144 LEU CG . 15280 1 1191 . 1 1 113 113 LEU N N 15 123.926 0.020 . 1 . . . . 144 LEU N . 15280 1 1192 . 1 1 114 114 ILE H H 1 9.619 0.010 . 1 . . . . 145 ILE H . 15280 1 1193 . 1 1 114 114 ILE HA H 1 4.739 0.010 . 1 . . . . 145 ILE HA . 15280 1 1194 . 1 1 114 114 ILE HB H 1 1.985 0.010 . 1 . . . . 145 ILE HB . 15280 1 1195 . 1 1 114 114 ILE HD11 H 1 0.675 0.010 . 1 . . . . 145 ILE QD1 . 15280 1 1196 . 1 1 114 114 ILE HD12 H 1 0.675 0.010 . 1 . . . . 145 ILE QD1 . 15280 1 1197 . 1 1 114 114 ILE HD13 H 1 0.675 0.010 . 1 . . . . 145 ILE QD1 . 15280 1 1198 . 1 1 114 114 ILE HG12 H 1 1.454 0.010 . 1 . . . . 145 ILE HG12 . 15280 1 1199 . 1 1 114 114 ILE HG13 H 1 1.207 0.010 . 1 . . . . 145 ILE HG13 . 15280 1 1200 . 1 1 114 114 ILE HG21 H 1 0.866 0.010 . 1 . . . . 145 ILE QG2 . 15280 1 1201 . 1 1 114 114 ILE HG22 H 1 0.866 0.010 . 1 . . . . 145 ILE QG2 . 15280 1 1202 . 1 1 114 114 ILE HG23 H 1 0.866 0.010 . 1 . . . . 145 ILE QG2 . 15280 1 1203 . 1 1 114 114 ILE C C 13 176.633 0.020 . 1 . . . . 145 ILE C . 15280 1 1204 . 1 1 114 114 ILE CA C 13 57.915 0.020 . 1 . . . . 145 ILE CA . 15280 1 1205 . 1 1 114 114 ILE CB C 13 38.18 0.020 . 1 . . . . 145 ILE CB . 15280 1 1206 . 1 1 114 114 ILE CD1 C 13 11.929 0.020 . 1 . . . . 145 ILE CD1 . 15280 1 1207 . 1 1 114 114 ILE CG1 C 13 28.003 0.020 . 1 . . . . 145 ILE CG1 . 15280 1 1208 . 1 1 114 114 ILE CG2 C 13 17.682 0.020 . 1 . . . . 145 ILE CG2 . 15280 1 1209 . 1 1 114 114 ILE N N 15 129.353 0.020 . 1 . . . . 145 ILE N . 15280 1 1210 . 1 1 115 115 GLY H H 1 9.28 0.010 . 1 . . . . 146 GLY H . 15280 1 1211 . 1 1 115 115 GLY HA2 H 1 4.048 0.010 . 1 . . . . 146 GLY QA . 15280 1 1212 . 1 1 115 115 GLY HA3 H 1 4.048 0.010 . 1 . . . . 146 GLY QA . 15280 1 1213 . 1 1 115 115 GLY C C 13 177.196 0.020 . 1 . . . . 146 GLY C . 15280 1 1214 . 1 1 115 115 GLY CA C 13 45.571 0.020 . 1 . . . . 146 GLY CA . 15280 1 1215 . 1 1 115 115 GLY N N 15 112.42 0.020 . 1 . . . . 146 GLY N . 15280 1 1216 . 1 1 116 116 LYS H H 1 9.064 0.010 . 1 . . . . 147 LYS H . 15280 1 1217 . 1 1 116 116 LYS HA H 1 3.85 0.010 . 1 . . . . 147 LYS HA . 15280 1 1218 . 1 1 116 116 LYS HB2 H 1 1.603 0.010 . 1 . . . . 147 LYS HB2 . 15280 1 1219 . 1 1 116 116 LYS HB3 H 1 1.338 0.010 . 1 . . . . 147 LYS HB3 . 15280 1 1220 . 1 1 116 116 LYS HD2 H 1 1.497 0.010 . 1 . . . . 147 LYS QD . 15280 1 1221 . 1 1 116 116 LYS HD3 H 1 1.497 0.010 . 1 . . . . 147 LYS QD . 15280 1 1222 . 1 1 116 116 LYS HE2 H 1 2.872 0.010 . 1 . . . . 147 LYS QE . 15280 1 1223 . 1 1 116 116 LYS HE3 H 1 2.872 0.010 . 1 . . . . 147 LYS QE . 15280 1 1224 . 1 1 116 116 LYS HG2 H 1 1.221 0.010 . 1 . . . . 147 LYS QG . 15280 1 1225 . 1 1 116 116 LYS HG3 H 1 1.221 0.010 . 1 . . . . 147 LYS QG . 15280 1 1226 . 1 1 116 116 LYS C C 13 177.385 0.020 . 1 . . . . 147 LYS C . 15280 1 1227 . 1 1 116 116 LYS CA C 13 59.516 0.020 . 1 . . . . 147 LYS CA . 15280 1 1228 . 1 1 116 116 LYS CB C 13 32.16 0.020 . 1 . . . . 147 LYS CB . 15280 1 1229 . 1 1 116 116 LYS CD C 13 29.944 0.020 . 1 . . . . 147 LYS CD . 15280 1 1230 . 1 1 116 116 LYS CE C 13 42.44 0.020 . 1 . . . . 147 LYS CE . 15280 1 1231 . 1 1 116 116 LYS CG C 13 24.39 0.020 . 1 . . . . 147 LYS CG . 15280 1 1232 . 1 1 116 116 LYS N N 15 122.179 0.020 . 1 . . . . 147 LYS N . 15280 1 1233 . 1 1 117 117 ASP H H 1 8.634 0.010 . 1 . . . . 148 ASP H . 15280 1 1234 . 1 1 117 117 ASP HA H 1 4.765 0.010 . 1 . . . . 148 ASP HA . 15280 1 1235 . 1 1 117 117 ASP HB2 H 1 2.782 0.010 . 1 . . . . 148 ASP HB2 . 15280 1 1236 . 1 1 117 117 ASP HB3 H 1 2.554 0.010 . 1 . . . . 148 ASP HB3 . 15280 1 1237 . 1 1 117 117 ASP C C 13 177.534 0.020 . 1 . . . . 148 ASP C . 15280 1 1238 . 1 1 117 117 ASP CA C 13 54.944 0.020 . 1 . . . . 148 ASP CA . 15280 1 1239 . 1 1 117 117 ASP CB C 13 41.152 0.020 . 1 . . . . 148 ASP CB . 15280 1 1240 . 1 1 117 117 ASP N N 15 117.436 0.020 . 1 . . . . 148 ASP N . 15280 1 1241 . 1 1 118 118 GLY H H 1 8.027 0.010 . 1 . . . . 149 GLY H . 15280 1 1242 . 1 1 118 118 GLY HA2 H 1 4.17 0.010 . 1 . . . . 149 GLY HA2 . 15280 1 1243 . 1 1 118 118 GLY HA3 H 1 3.278 0.010 . 1 . . . . 149 GLY HA3 . 15280 1 1244 . 1 1 118 118 GLY C C 13 172.714 0.020 . 1 . . . . 149 GLY C . 15280 1 1245 . 1 1 118 118 GLY CA C 13 46.486 0.020 . 1 . . . . 149 GLY CA . 15280 1 1246 . 1 1 118 118 GLY N N 15 107.963 0.020 . 1 . . . . 149 GLY N . 15280 1 1247 . 1 1 119 119 ASP H H 1 9.266 0.010 . 1 . . . . 150 ASP H . 15280 1 1248 . 1 1 119 119 ASP HA H 1 4.459 0.010 . 1 . . . . 150 ASP HA . 15280 1 1249 . 1 1 119 119 ASP HB2 H 1 2.318 0.010 . 1 . . . . 150 ASP HB2 . 15280 1 1250 . 1 1 119 119 ASP HB3 H 1 2.527 0.010 . 1 . . . . 150 ASP HB3 . 15280 1 1251 . 1 1 119 119 ASP C C 13 176.362 0.020 . 1 . . . . 150 ASP C . 15280 1 1252 . 1 1 119 119 ASP CA C 13 52.734 0.020 . 1 . . . . 150 ASP CA . 15280 1 1253 . 1 1 119 119 ASP CB C 13 40.009 0.020 . 1 . . . . 150 ASP CB . 15280 1 1254 . 1 1 119 119 ASP N N 15 117.293 0.020 . 1 . . . . 150 ASP N . 15280 1 1255 . 1 1 120 120 VAL H H 1 8.854 0.010 . 1 . . . . 151 VAL H . 15280 1 1256 . 1 1 120 120 VAL HA H 1 3.88 0.010 . 1 . . . . 151 VAL HA . 15280 1 1257 . 1 1 120 120 VAL HB H 1 2.02 0.010 . 1 . . . . 151 VAL HB . 15280 1 1258 . 1 1 120 120 VAL HG11 H 1 0.947 0.010 . 1 . . . . 151 VAL QG1 . 15280 1 1259 . 1 1 120 120 VAL HG12 H 1 0.947 0.010 . 1 . . . . 151 VAL QG1 . 15280 1 1260 . 1 1 120 120 VAL HG13 H 1 0.947 0.010 . 1 . . . . 151 VAL QG1 . 15280 1 1261 . 1 1 120 120 VAL HG21 H 1 0.798 0.010 . 1 . . . . 151 VAL QG2 . 15280 1 1262 . 1 1 120 120 VAL HG22 H 1 0.798 0.010 . 1 . . . . 151 VAL QG2 . 15280 1 1263 . 1 1 120 120 VAL HG23 H 1 0.798 0.010 . 1 . . . . 151 VAL QG2 . 15280 1 1264 . 1 1 120 120 VAL C C 13 176.931 0.020 . 1 . . . . 151 VAL C . 15280 1 1265 . 1 1 120 120 VAL CA C 13 64.468 0.020 . 1 . . . . 151 VAL CA . 15280 1 1266 . 1 1 120 120 VAL CB C 13 31.398 0.020 . 1 . . . . 151 VAL CB . 15280 1 1267 . 1 1 120 120 VAL CG1 C 13 22.207 0.020 . 1 . . . . 151 VAL CG1 . 15280 1 1268 . 1 1 120 120 VAL CG2 C 13 21.528 0.020 . 1 . . . . 151 VAL CG2 . 15280 1 1269 . 1 1 120 120 VAL N N 15 124.26 0.020 . 1 . . . . 151 VAL N . 15280 1 1270 . 1 1 121 121 GLN H H 1 9.015 0.010 . 1 . . . . 152 GLN H . 15280 1 1271 . 1 1 121 121 GLN HA H 1 4.384 0.010 . 1 . . . . 152 GLN HA . 15280 1 1272 . 1 1 121 121 GLN HB2 H 1 1.862 0.010 . 1 . . . . 152 GLN QB . 15280 1 1273 . 1 1 121 121 GLN HB3 H 1 1.862 0.010 . 1 . . . . 152 GLN QB . 15280 1 1274 . 1 1 121 121 GLN C C 13 176.722 0.020 . 1 . . . . 152 GLN C . 15280 1 1275 . 1 1 121 121 GLN CA C 13 57.382 0.020 . 1 . . . . 152 GLN CA . 15280 1 1276 . 1 1 121 121 GLN CB C 13 31.017 0.020 . 1 . . . . 152 GLN CB . 15280 1 1277 . 1 1 121 121 GLN N N 15 128.261 0.020 . 1 . . . . 152 GLN N . 15280 1 1278 . 1 1 122 122 ARG H H 1 7.506 0.010 . 1 . . . . 153 ARG H . 15280 1 1279 . 1 1 122 122 ARG HA H 1 4.441 0.010 . 1 . . . . 153 ARG HA . 15280 1 1280 . 1 1 122 122 ARG HB2 H 1 1.979 0.010 . 1 . . . . 153 ARG HB2 . 15280 1 1281 . 1 1 122 122 ARG HB3 H 1 1.564 0.010 . 1 . . . . 153 ARG HB3 . 15280 1 1282 . 1 1 122 122 ARG C C 13 174.125 0.020 . 1 . . . . 153 ARG C . 15280 1 1283 . 1 1 122 122 ARG CA C 13 55.705 0.020 . 1 . . . . 153 ARG CA . 15280 1 1284 . 1 1 122 122 ARG CB C 13 34.383 0.020 . 1 . . . . 153 ARG CB . 15280 1 1285 . 1 1 122 122 ARG N N 15 117.173 0.020 . 1 . . . . 153 ARG N . 15280 1 1286 . 1 1 123 123 ILE H H 1 8.635 0.010 . 1 . . . . 154 ILE H . 15280 1 1287 . 1 1 123 123 ILE HA H 1 4.917 0.010 . 1 . . . . 154 ILE HA . 15280 1 1288 . 1 1 123 123 ILE HB H 1 1.692 0.010 . 1 . . . . 154 ILE HB . 15280 1 1289 . 1 1 123 123 ILE HD11 H 1 0.794 0.010 . 1 . . . . 154 ILE QD1 . 15280 1 1290 . 1 1 123 123 ILE HD12 H 1 0.794 0.010 . 1 . . . . 154 ILE QD1 . 15280 1 1291 . 1 1 123 123 ILE HD13 H 1 0.794 0.010 . 1 . . . . 154 ILE QD1 . 15280 1 1292 . 1 1 123 123 ILE HG12 H 1 1.526 0.010 . 1 . . . . 154 ILE HG12 . 15280 1 1293 . 1 1 123 123 ILE HG13 H 1 0.97 0.010 . 1 . . . . 154 ILE HG13 . 15280 1 1294 . 1 1 123 123 ILE HG21 H 1 0.908 0.010 . 1 . . . . 154 ILE QG2 . 15280 1 1295 . 1 1 123 123 ILE HG22 H 1 0.908 0.010 . 1 . . . . 154 ILE QG2 . 15280 1 1296 . 1 1 123 123 ILE HG23 H 1 0.908 0.010 . 1 . . . . 154 ILE QG2 . 15280 1 1297 . 1 1 123 123 ILE C C 13 176.052 0.020 . 1 . . . . 154 ILE C . 15280 1 1298 . 1 1 123 123 ILE CA C 13 61.116 0.020 . 1 . . . . 154 ILE CA . 15280 1 1299 . 1 1 123 123 ILE CB C 13 40.694 0.020 . 1 . . . . 154 ILE CB . 15280 1 1300 . 1 1 123 123 ILE CD1 C 13 17.498 0.020 . 1 . . . . 154 ILE CD1 . 15280 1 1301 . 1 1 123 123 ILE CG1 C 13 28.329 0.020 . 1 . . . . 154 ILE CG1 . 15280 1 1302 . 1 1 123 123 ILE CG2 C 13 14.774 0.020 . 1 . . . . 154 ILE CG2 . 15280 1 1303 . 1 1 123 123 ILE N N 15 126.361 0.020 . 1 . . . . 154 ILE N . 15280 1 1304 . 1 1 124 124 VAL H H 1 9.769 0.010 . 1 . . . . 155 VAL H . 15280 1 1305 . 1 1 124 124 VAL HA H 1 4.258 0.010 . 1 . . . . 155 VAL HA . 15280 1 1306 . 1 1 124 124 VAL HB H 1 1.913 0.010 . 1 . . . . 155 VAL HB . 15280 1 1307 . 1 1 124 124 VAL HG11 H 1 0.716 0.010 . 1 . . . . 155 VAL QG1 . 15280 1 1308 . 1 1 124 124 VAL HG12 H 1 0.716 0.010 . 1 . . . . 155 VAL QG1 . 15280 1 1309 . 1 1 124 124 VAL HG13 H 1 0.716 0.010 . 1 . . . . 155 VAL QG1 . 15280 1 1310 . 1 1 124 124 VAL HG21 H 1 0.784 0.010 . 1 . . . . 155 VAL QG2 . 15280 1 1311 . 1 1 124 124 VAL HG22 H 1 0.784 0.010 . 1 . . . . 155 VAL QG2 . 15280 1 1312 . 1 1 124 124 VAL HG23 H 1 0.784 0.010 . 1 . . . . 155 VAL QG2 . 15280 1 1313 . 1 1 124 124 VAL C C 13 175.067 0.020 . 1 . . . . 155 VAL C . 15280 1 1314 . 1 1 124 124 VAL CA C 13 61.754 0.020 . 1 . . . . 155 VAL CA . 15280 1 1315 . 1 1 124 124 VAL CB C 13 35.437 0.020 . 1 . . . . 155 VAL CB . 15280 1 1316 . 1 1 124 124 VAL CG1 C 13 21.279 0.020 . 1 . . . . 155 VAL CG1 . 15280 1 1317 . 1 1 124 124 VAL CG2 C 13 23 0.020 . 1 . . . . 155 VAL CG2 . 15280 1 1318 . 1 1 124 124 VAL N N 15 130 0.020 . 1 . . . . 155 VAL N . 15280 1 1319 . 1 1 125 125 LYS H H 1 8.641 0.010 . 1 . . . . 156 LYS H . 15280 1 1320 . 1 1 125 125 LYS HA H 1 4.795 0.010 . 1 . . . . 156 LYS HA . 15280 1 1321 . 1 1 125 125 LYS HB2 H 1 1.631 0.010 . 1 . . . . 156 LYS QB . 15280 1 1322 . 1 1 125 125 LYS HB3 H 1 1.631 0.010 . 1 . . . . 156 LYS QB . 15280 1 1323 . 1 1 125 125 LYS HE2 H 1 2.9 0.010 . 1 . . . . 156 LYS QE . 15280 1 1324 . 1 1 125 125 LYS HE3 H 1 2.9 0.010 . 1 . . . . 156 LYS QE . 15280 1 1325 . 1 1 125 125 LYS C C 13 177.392 0.020 . 1 . . . . 156 LYS C . 15280 1 1326 . 1 1 125 125 LYS CA C 13 56.468 0.020 . 1 . . . . 156 LYS CA . 15280 1 1327 . 1 1 125 125 LYS CB C 13 33.349 0.020 . 1 . . . . 156 LYS CB . 15280 1 1328 . 1 1 125 125 LYS CE C 13 42.616 0.020 . 1 . . . . 156 LYS CE . 15280 1 1329 . 1 1 125 125 LYS N N 15 128.199 0.020 . 1 . . . . 156 LYS N . 15280 1 1330 . 1 1 126 126 GLY H H 1 8.225 0.010 . 1 . . . . 157 GLY H . 15280 1 1331 . 1 1 126 126 GLY HA2 H 1 4.292 0.010 . 1 . . . . 157 GLY HA2 . 15280 1 1332 . 1 1 126 126 GLY HA3 H 1 3.804 0.010 . 1 . . . . 157 GLY HA3 . 15280 1 1333 . 1 1 126 126 GLY C C 13 171.611 0.020 . 1 . . . . 157 GLY C . 15280 1 1334 . 1 1 126 126 GLY CA C 13 45.114 0.020 . 1 . . . . 157 GLY CA . 15280 1 1335 . 1 1 126 126 GLY N N 15 115.401 0.020 . 1 . . . . 157 GLY N . 15280 1 1336 . 1 1 127 127 SER H H 1 7.689 0.010 . 1 . . . . 158 SER H . 15280 1 1337 . 1 1 127 127 SER HA H 1 4.507 0.010 . 1 . . . . 158 SER HA . 15280 1 1338 . 1 1 127 127 SER HB2 H 1 3.688 0.010 . 1 . . . . 158 SER QB . 15280 1 1339 . 1 1 127 127 SER HB3 H 1 3.688 0.010 . 1 . . . . 158 SER QB . 15280 1 1340 . 1 1 127 127 SER C C 13 176.324 0.020 . 1 . . . . 158 SER C . 15280 1 1341 . 1 1 127 127 SER CA C 13 59.668 0.020 . 1 . . . . 158 SER CA . 15280 1 1342 . 1 1 127 127 SER CB C 13 63.783 0.020 . 1 . . . . 158 SER CB . 15280 1 1343 . 1 1 127 127 SER N N 15 108.731 0.020 . 1 . . . . 158 SER N . 15280 1 1344 . 1 1 128 128 ILE H H 1 7.797 0.010 . 1 . . . . 159 ILE H . 15280 1 1345 . 1 1 128 128 ILE HA H 1 4.765 0.010 . 1 . . . . 159 ILE HA . 15280 1 1346 . 1 1 128 128 ILE HB H 1 1.617 0.010 . 1 . . . . 159 ILE HB . 15280 1 1347 . 1 1 128 128 ILE HD11 H 1 -0.648 0.010 . 1 . . . . 159 ILE QD1 . 15280 1 1348 . 1 1 128 128 ILE HD12 H 1 -0.648 0.010 . 1 . . . . 159 ILE QD1 . 15280 1 1349 . 1 1 128 128 ILE HD13 H 1 -0.648 0.010 . 1 . . . . 159 ILE QD1 . 15280 1 1350 . 1 1 128 128 ILE HG12 H 1 -0.221 0.010 . 1 . . . . 159 ILE HG12 . 15280 1 1351 . 1 1 128 128 ILE HG13 H 1 0.694 0.010 . 1 . . . . 159 ILE HG13 . 15280 1 1352 . 1 1 128 128 ILE HG21 H 1 0.429 0.010 . 1 . . . . 159 ILE QG2 . 15280 1 1353 . 1 1 128 128 ILE HG22 H 1 0.429 0.010 . 1 . . . . 159 ILE QG2 . 15280 1 1354 . 1 1 128 128 ILE HG23 H 1 0.429 0.010 . 1 . . . . 159 ILE QG2 . 15280 1 1355 . 1 1 128 128 ILE C C 13 175.088 0.020 . 1 . . . . 159 ILE C . 15280 1 1356 . 1 1 128 128 ILE CA C 13 59.82 0.020 . 1 . . . . 159 ILE CA . 15280 1 1357 . 1 1 128 128 ILE CB C 13 41.38 0.020 . 1 . . . . 159 ILE CB . 15280 1 1358 . 1 1 128 128 ILE CD1 C 13 12.491 0.020 . 1 . . . . 159 ILE CD1 . 15280 1 1359 . 1 1 128 128 ILE CG1 C 13 23.299 0.020 . 1 . . . . 159 ILE CG1 . 15280 1 1360 . 1 1 128 128 ILE CG2 C 13 17.291 0.020 . 1 . . . . 159 ILE CG2 . 15280 1 1361 . 1 1 128 128 ILE N N 15 116.827 0.020 . 1 . . . . 159 ILE N . 15280 1 1362 . 1 1 129 129 ASN H H 1 8.704 0.010 . 1 . . . . 160 ASN H . 15280 1 1363 . 1 1 129 129 ASN HA H 1 4.963 0.010 . 1 . . . . 160 ASN HA . 15280 1 1364 . 1 1 129 129 ASN HB2 H 1 3.286 0.010 . 1 . . . . 160 ASN HB2 . 15280 1 1365 . 1 1 129 129 ASN HB3 H 1 2.691 0.010 . 1 . . . . 160 ASN HB3 . 15280 1 1366 . 1 1 129 129 ASN C C 13 175.193 0.020 . 1 . . . . 160 ASN C . 15280 1 1367 . 1 1 129 129 ASN CA C 13 50.981 0.020 . 1 . . . . 160 ASN CA . 15280 1 1368 . 1 1 129 129 ASN CB C 13 39.932 0.020 . 1 . . . . 160 ASN CB . 15280 1 1369 . 1 1 129 129 ASN N N 15 119.729 0.020 . 1 . . . . 160 ASN N . 15280 1 1370 . 1 1 130 130 GLU H H 1 8.388 0.010 . 1 . . . . 161 GLU H . 15280 1 1371 . 1 1 130 130 GLU HA H 1 2.564 0.010 . 1 . . . . 161 GLU HA . 15280 1 1372 . 1 1 130 130 GLU HB2 H 1 1.968 0.010 . 1 . . . . 161 GLU QB . 15280 1 1373 . 1 1 130 130 GLU HB3 H 1 1.968 0.010 . 1 . . . . 161 GLU QB . 15280 1 1374 . 1 1 130 130 GLU HG2 H 1 1.715 0.010 . 1 . . . . 161 GLU HG2 . 15280 1 1375 . 1 1 130 130 GLU HG3 H 1 1.39 0.010 . 1 . . . . 161 GLU HG3 . 15280 1 1376 . 1 1 130 130 GLU C C 13 177.078 0.020 . 1 . . . . 161 GLU C . 15280 1 1377 . 1 1 130 130 GLU CA C 13 60.659 0.020 . 1 . . . . 161 GLU CA . 15280 1 1378 . 1 1 130 130 GLU CB C 13 31.093 0.020 . 1 . . . . 161 GLU CB . 15280 1 1379 . 1 1 130 130 GLU CG C 13 36.649 0.020 . 1 . . . . 161 GLU CG . 15280 1 1380 . 1 1 130 130 GLU N N 15 119.092 0.020 . 1 . . . . 161 GLU N . 15280 1 1381 . 1 1 131 131 ALA H H 1 7.728 0.010 . 1 . . . . 162 ALA H . 15280 1 1382 . 1 1 131 131 ALA HA H 1 3.728 0.010 . 1 . . . . 162 ALA HA . 15280 1 1383 . 1 1 131 131 ALA HB1 H 1 1.21 0.010 . 1 . . . . 162 ALA QB . 15280 1 1384 . 1 1 131 131 ALA HB2 H 1 1.21 0.010 . 1 . . . . 162 ALA QB . 15280 1 1385 . 1 1 131 131 ALA HB3 H 1 1.21 0.010 . 1 . . . . 162 ALA QB . 15280 1 1386 . 1 1 131 131 ALA C C 13 182.105 0.020 . 1 . . . . 162 ALA C . 15280 1 1387 . 1 1 131 131 ALA CA C 13 55.325 0.020 . 1 . . . . 162 ALA CA . 15280 1 1388 . 1 1 131 131 ALA CB C 13 18.368 0.020 . 1 . . . . 162 ALA CB . 15280 1 1389 . 1 1 131 131 ALA N N 15 119.606 0.020 . 1 . . . . 162 ALA N . 15280 1 1390 . 1 1 132 132 GLN H H 1 8.258 0.010 . 1 . . . . 163 GLN H . 15280 1 1391 . 1 1 132 132 GLN HA H 1 3.746 0.010 . 1 . . . . 163 GLN HA . 15280 1 1392 . 1 1 132 132 GLN HB2 H 1 1.432 0.010 . 1 . . . . 163 GLN HB2 . 15280 1 1393 . 1 1 132 132 GLN HB3 H 1 2.223 0.010 . 1 . . . . 163 GLN HB3 . 15280 1 1394 . 1 1 132 132 GLN HG2 H 1 2.656 0.010 . 1 . . . . 163 GLN QG . 15280 1 1395 . 1 1 132 132 GLN HG3 H 1 2.656 0.010 . 1 . . . . 163 GLN QG . 15280 1 1396 . 1 1 132 132 GLN C C 13 177.413 0.020 . 1 . . . . 163 GLN C . 15280 1 1397 . 1 1 132 132 GLN CA C 13 58.601 0.020 . 1 . . . . 163 GLN CA . 15280 1 1398 . 1 1 132 132 GLN CB C 13 29.874 0.020 . 1 . . . . 163 GLN CB . 15280 1 1399 . 1 1 132 132 GLN CG C 13 34.961 0.020 . 1 . . . . 163 GLN CG . 15280 1 1400 . 1 1 132 132 GLN N N 15 119.147 0.020 . 1 . . . . 163 GLN N . 15280 1 1401 . 1 1 133 133 ALA H H 1 8.025 0.010 . 1 . . . . 164 ALA H . 15280 1 1402 . 1 1 133 133 ALA HA H 1 3.347 0.010 . 1 . . . . 164 ALA HA . 15280 1 1403 . 1 1 133 133 ALA HB1 H 1 0.678 0.010 . 1 . . . . 164 ALA QB . 15280 1 1404 . 1 1 133 133 ALA HB2 H 1 0.678 0.010 . 1 . . . . 164 ALA QB . 15280 1 1405 . 1 1 133 133 ALA HB3 H 1 0.678 0.010 . 1 . . . . 164 ALA QB . 15280 1 1406 . 1 1 133 133 ALA C C 13 179.193 0.020 . 1 . . . . 164 ALA C . 15280 1 1407 . 1 1 133 133 ALA CA C 13 55.858 0.020 . 1 . . . . 164 ALA CA . 15280 1 1408 . 1 1 133 133 ALA CB C 13 18.292 0.020 . 1 . . . . 164 ALA CB . 15280 1 1409 . 1 1 133 133 ALA N N 15 121.576 0.020 . 1 . . . . 164 ALA N . 15280 1 1410 . 1 1 134 134 LEU H H 1 7.781 0.010 . 1 . . . . 165 LEU H . 15280 1 1411 . 1 1 134 134 LEU HA H 1 3.437 0.010 . 1 . . . . 165 LEU HA . 15280 1 1412 . 1 1 134 134 LEU HB2 H 1 1.317 0.010 . 1 . . . . 165 LEU HB2 . 15280 1 1413 . 1 1 134 134 LEU HB3 H 1 0.929 0.010 . 1 . . . . 165 LEU HB3 . 15280 1 1414 . 1 1 134 134 LEU HD11 H 1 0.275 0.010 . 1 . . . . 165 LEU QD1 . 15280 1 1415 . 1 1 134 134 LEU HD12 H 1 0.275 0.010 . 1 . . . . 165 LEU QD1 . 15280 1 1416 . 1 1 134 134 LEU HD13 H 1 0.275 0.010 . 1 . . . . 165 LEU QD1 . 15280 1 1417 . 1 1 134 134 LEU HD21 H 1 -0.411 0.010 . 1 . . . . 165 LEU QD2 . 15280 1 1418 . 1 1 134 134 LEU HD22 H 1 -0.411 0.010 . 1 . . . . 165 LEU QD2 . 15280 1 1419 . 1 1 134 134 LEU HD23 H 1 -0.411 0.010 . 1 . . . . 165 LEU QD2 . 15280 1 1420 . 1 1 134 134 LEU HG H 1 1.005 0.010 . 1 . . . . 165 LEU HG . 15280 1 1421 . 1 1 134 134 LEU C C 13 180.178 0.020 . 1 . . . . 165 LEU C . 15280 1 1422 . 1 1 134 134 LEU CA C 13 57.458 0.020 . 1 . . . . 165 LEU CA . 15280 1 1423 . 1 1 134 134 LEU CB C 13 41.685 0.020 . 1 . . . . 165 LEU CB . 15280 1 1424 . 1 1 134 134 LEU CD1 C 13 25.763 0.020 . 1 . . . . 165 LEU CD1 . 15280 1 1425 . 1 1 134 134 LEU CD2 C 13 22.462 0.020 . 1 . . . . 165 LEU CD2 . 15280 1 1426 . 1 1 134 134 LEU CG C 13 26.772 0.020 . 1 . . . . 165 LEU CG . 15280 1 1427 . 1 1 134 134 LEU N N 15 115.164 0.020 . 1 . . . . 165 LEU N . 15280 1 1428 . 1 1 135 135 ALA H H 1 7.637 0.010 . 1 . . . . 166 ALA H . 15280 1 1429 . 1 1 135 135 ALA HA H 1 3.761 0.010 . 1 . . . . 166 ALA HA . 15280 1 1430 . 1 1 135 135 ALA HB1 H 1 1.253 0.010 . 1 . . . . 166 ALA QB . 15280 1 1431 . 1 1 135 135 ALA HB2 H 1 1.253 0.010 . 1 . . . . 166 ALA QB . 15280 1 1432 . 1 1 135 135 ALA HB3 H 1 1.253 0.010 . 1 . . . . 166 ALA QB . 15280 1 1433 . 1 1 135 135 ALA C C 13 180.283 0.020 . 1 . . . . 166 ALA C . 15280 1 1434 . 1 1 135 135 ALA CA C 13 55.401 0.020 . 1 . . . . 166 ALA CA . 15280 1 1435 . 1 1 135 135 ALA CB C 13 18.216 0.020 . 1 . . . . 166 ALA CB . 15280 1 1436 . 1 1 135 135 ALA N N 15 122.276 0.020 . 1 . . . . 166 ALA N . 15280 1 1437 . 1 1 136 136 LEU H H 1 7.637 0.010 . 1 . . . . 167 LEU H . 15280 1 1438 . 1 1 136 136 LEU HA H 1 3.994 0.010 . 1 . . . . 167 LEU HA . 15280 1 1439 . 1 1 136 136 LEU HB2 H 1 1.255 0.010 . 1 . . . . 167 LEU HB2 . 15280 1 1440 . 1 1 136 136 LEU HB3 H 1 1.672 0.010 . 1 . . . . 167 LEU HB3 . 15280 1 1441 . 1 1 136 136 LEU HD11 H 1 0.566 0.010 . 1 . . . . 167 LEU QD1 . 15280 1 1442 . 1 1 136 136 LEU HD12 H 1 0.566 0.010 . 1 . . . . 167 LEU QD1 . 15280 1 1443 . 1 1 136 136 LEU HD13 H 1 0.566 0.010 . 1 . . . . 167 LEU QD1 . 15280 1 1444 . 1 1 136 136 LEU HD21 H 1 0.606 0.010 . 1 . . . . 167 LEU QD2 . 15280 1 1445 . 1 1 136 136 LEU HD22 H 1 0.606 0.010 . 1 . . . . 167 LEU QD2 . 15280 1 1446 . 1 1 136 136 LEU HD23 H 1 0.606 0.010 . 1 . . . . 167 LEU QD2 . 15280 1 1447 . 1 1 136 136 LEU C C 13 177.748 0.020 . 1 . . . . 167 LEU C . 15280 1 1448 . 1 1 136 136 LEU CA C 13 57.001 0.020 . 1 . . . . 167 LEU CA . 15280 1 1449 . 1 1 136 136 LEU CB C 13 42.828 0.020 . 1 . . . . 167 LEU CB . 15280 1 1450 . 1 1 136 136 LEU CD1 C 13 25.057 0.020 . 1 . . . . 167 LEU CD1 . 15280 1 1451 . 1 1 136 136 LEU CD2 C 13 24.96 0.020 . 1 . . . . 167 LEU CD2 . 15280 1 1452 . 1 1 136 136 LEU N N 15 118.36 0.020 . 1 . . . . 167 LEU N . 15280 1 1453 . 1 1 137 137 ILE H H 1 7.146 0.010 . 1 . . . . 168 ILE H . 15280 1 1454 . 1 1 137 137 ILE HA H 1 3.525 0.010 . 1 . . . . 168 ILE HA . 15280 1 1455 . 1 1 137 137 ILE HB H 1 1.648 0.010 . 1 . . . . 168 ILE HB . 15280 1 1456 . 1 1 137 137 ILE HD11 H 1 0.655 0.010 . 1 . . . . 168 ILE QD1 . 15280 1 1457 . 1 1 137 137 ILE HD12 H 1 0.655 0.010 . 1 . . . . 168 ILE QD1 . 15280 1 1458 . 1 1 137 137 ILE HD13 H 1 0.655 0.010 . 1 . . . . 168 ILE QD1 . 15280 1 1459 . 1 1 137 137 ILE HG12 H 1 1.498 0.010 . 1 . . . . 168 ILE HG12 . 15280 1 1460 . 1 1 137 137 ILE HG13 H 1 0.88 0.010 . 1 . . . . 168 ILE HG13 . 15280 1 1461 . 1 1 137 137 ILE HG21 H 1 0.702 0.010 . 1 . . . . 168 ILE QG2 . 15280 1 1462 . 1 1 137 137 ILE HG22 H 1 0.702 0.010 . 1 . . . . 168 ILE QG2 . 15280 1 1463 . 1 1 137 137 ILE HG23 H 1 0.702 0.010 . 1 . . . . 168 ILE QG2 . 15280 1 1464 . 1 1 137 137 ILE C C 13 178.293 0.020 . 1 . . . . 168 ILE C . 15280 1 1465 . 1 1 137 137 ILE CA C 13 64.697 0.020 . 1 . . . . 168 ILE CA . 15280 1 1466 . 1 1 137 137 ILE CB C 13 38.332 0.020 . 1 . . . . 168 ILE CB . 15280 1 1467 . 1 1 137 137 ILE CD1 C 13 14.821 0.020 . 1 . . . . 168 ILE CD1 . 15280 1 1468 . 1 1 137 137 ILE CG1 C 13 28.72 0.020 . 1 . . . . 168 ILE CG1 . 15280 1 1469 . 1 1 137 137 ILE CG2 C 13 18.345 0.020 . 1 . . . . 168 ILE CG2 . 15280 1 1470 . 1 1 137 137 ILE N N 15 111.89 0.020 . 1 . . . . 168 ILE N . 15280 1 1471 . 1 1 138 138 ARG H H 1 7.187 0.010 . 1 . . . . 169 ARG H . 15280 1 1472 . 1 1 138 138 ARG HA H 1 4.028 0.010 . 1 . . . . 169 ARG HA . 15280 1 1473 . 1 1 138 138 ARG HB2 H 1 1.706 0.010 . 1 . . . . 169 ARG QB . 15280 1 1474 . 1 1 138 138 ARG HB3 H 1 1.706 0.010 . 1 . . . . 169 ARG QB . 15280 1 1475 . 1 1 138 138 ARG HD2 H 1 3.024 0.010 . 1 . . . . 169 ARG QD . 15280 1 1476 . 1 1 138 138 ARG HD3 H 1 3.024 0.010 . 1 . . . . 169 ARG QD . 15280 1 1477 . 1 1 138 138 ARG HG2 H 1 1.45 0.010 . 1 . . . . 169 ARG QG . 15280 1 1478 . 1 1 138 138 ARG HG3 H 1 1.45 0.010 . 1 . . . . 169 ARG QG . 15280 1 1479 . 1 1 138 138 ARG C C 13 177.015 0.020 . 1 . . . . 169 ARG C . 15280 1 1480 . 1 1 138 138 ARG CA C 13 58.22 0.020 . 1 . . . . 169 ARG CA . 15280 1 1481 . 1 1 138 138 ARG CB C 13 31.17 0.020 . 1 . . . . 169 ARG CB . 15280 1 1482 . 1 1 138 138 ARG CD C 13 43.776 0.020 . 1 . . . . 169 ARG CD . 15280 1 1483 . 1 1 138 138 ARG CG C 13 27.7 0.020 . 1 . . . . 169 ARG CG . 15280 1 1484 . 1 1 138 138 ARG N N 15 120.106 0.020 . 1 . . . . 169 ARG N . 15280 1 1485 . 1 1 139 139 ASP H H 1 8.076 0.010 . 1 . . . . 170 ASP H . 15280 1 1486 . 1 1 139 139 ASP HA H 1 4.81 0.010 . 1 . . . . 170 ASP HA . 15280 1 1487 . 1 1 139 139 ASP HB2 H 1 2.64 0.010 . 1 . . . . 170 ASP HB2 . 15280 1 1488 . 1 1 139 139 ASP HB3 H 1 2.424 0.010 . 1 . . . . 170 ASP HB3 . 15280 1 1489 . 1 1 139 139 ASP C C 13 173.371 0.020 . 1 . . . . 170 ASP C . 15280 1 1490 . 1 1 139 139 ASP CA C 13 51.362 0.020 . 1 . . . . 170 ASP CA . 15280 1 1491 . 1 1 139 139 ASP CB C 13 42.98 0.020 . 1 . . . . 170 ASP CB . 15280 1 1492 . 1 1 139 139 ASP N N 15 119.215 0.020 . 1 . . . . 170 ASP N . 15280 1 1493 . 1 1 141 141 ASN C C 13 175.842 0.020 . 1 . . . . 172 ASN C . 15280 1 1494 . 1 1 141 141 ASN CA C 13 52.568 0.020 . 1 . . . . 172 ASN CA . 15280 1 1495 . 1 1 141 141 ASN CB C 13 39.393 0.020 . 1 . . . . 172 ASN CB . 15280 1 1496 . 1 1 142 142 ALA H H 1 7.683 0.010 . 1 . . . . 173 ALA H . 15280 1 1497 . 1 1 142 142 ALA HA H 1 3.801 0.010 . 1 . . . . 173 ALA HA . 15280 1 1498 . 1 1 142 142 ALA HB1 H 1 1.202 0.010 . 1 . . . . 173 ALA QB . 15280 1 1499 . 1 1 142 142 ALA HB2 H 1 1.202 0.010 . 1 . . . . 173 ALA QB . 15280 1 1500 . 1 1 142 142 ALA HB3 H 1 1.202 0.010 . 1 . . . . 173 ALA QB . 15280 1 1501 . 1 1 142 142 ALA C C 13 177.727 0.020 . 1 . . . . 173 ALA C . 15280 1 1502 . 1 1 142 142 ALA CA C 13 53.648 0.020 . 1 . . . . 173 ALA CA . 15280 1 1503 . 1 1 142 142 ALA CB C 13 19.74 0.020 . 1 . . . . 173 ALA CB . 15280 1 1504 . 1 1 142 142 ALA N N 15 123.347 0.020 . 1 . . . . 173 ALA N . 15280 1 1505 . 1 1 143 143 ASP H H 1 8.307 0.010 . 1 . . . . 174 ASP H . 15280 1 1506 . 1 1 143 143 ASP HA H 1 4.536 0.010 . 1 . . . . 174 ASP HA . 15280 1 1507 . 1 1 143 143 ASP HB2 H 1 2.386 0.010 . 1 . . . . 174 ASP HB2 . 15280 1 1508 . 1 1 143 143 ASP HB3 H 1 2.584 0.010 . 1 . . . . 174 ASP HB3 . 15280 1 1509 . 1 1 143 143 ASP C C 13 175.465 0.020 . 1 . . . . 174 ASP C . 15280 1 1510 . 1 1 143 143 ASP CA C 13 54.867 0.020 . 1 . . . . 174 ASP CA . 15280 1 1511 . 1 1 143 143 ASP CB C 13 41.228 0.020 . 1 . . . . 174 ASP CB . 15280 1 1512 . 1 1 143 143 ASP N N 15 121.617 0.020 . 1 . . . . 174 ASP N . 15280 1 1513 . 1 1 144 144 LEU H H 1 8.078 0.010 . 1 . . . . 175 LEU H . 15280 1 1514 . 1 1 144 144 LEU HA H 1 4.058 0.010 . 1 . . . . 175 LEU HA . 15280 1 1515 . 1 1 144 144 LEU HB2 H 1 1.503 0.010 . 1 . . . . 175 LEU HB2 . 15280 1 1516 . 1 1 144 144 LEU HB3 H 1 1.35 0.010 . 1 . . . . 175 LEU HB3 . 15280 1 1517 . 1 1 144 144 LEU HD11 H 1 0.702 0.010 . 1 . . . . 175 LEU QD1 . 15280 1 1518 . 1 1 144 144 LEU HD12 H 1 0.702 0.010 . 1 . . . . 175 LEU QD1 . 15280 1 1519 . 1 1 144 144 LEU HD13 H 1 0.702 0.010 . 1 . . . . 175 LEU QD1 . 15280 1 1520 . 1 1 144 144 LEU HD21 H 1 0.593 0.010 . 1 . . . . 175 LEU QD2 . 15280 1 1521 . 1 1 144 144 LEU HD22 H 1 0.593 0.010 . 1 . . . . 175 LEU QD2 . 15280 1 1522 . 1 1 144 144 LEU HD23 H 1 0.593 0.010 . 1 . . . . 175 LEU QD2 . 15280 1 1523 . 1 1 144 144 LEU C C 13 182.943 0.020 . 1 . . . . 175 LEU C . 15280 1 1524 . 1 1 144 144 LEU CA C 13 56.696 0.020 . 1 . . . . 175 LEU CA . 15280 1 1525 . 1 1 144 144 LEU CB C 13 43.438 0.020 . 1 . . . . 175 LEU CB . 15280 1 1526 . 1 1 144 144 LEU CD1 C 13 26.386 0.020 . 1 . . . . 175 LEU CD1 . 15280 1 1527 . 1 1 144 144 LEU CD2 C 13 23.873 0.020 . 1 . . . . 175 LEU CD2 . 15280 1 1528 . 1 1 144 144 LEU CG C 13 32.163 0.020 . 1 . . . . 175 LEU CG . 15280 1 1529 . 1 1 144 144 LEU N N 15 130.098 0.020 . 1 . . . . 175 LEU N . 15280 1 stop_ save_