data_15008 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15008 _Entry.Title ; Backbone and Side Chain 1H, 13C and 15N Chemical Shift Assignments for Sporulation Phosphotransferase F Mutant H101A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-01 _Entry.Accession_date 2006-11-01 _Entry.Last_release_date 2007-05-09 _Entry.Original_release_date 2007-05-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'H101A mutation of Spo0F from Bacillus subtilis' _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 Patrick McLaughlin . D. . 15008 2 Benjamin Bobay . G. . 15008 3 Erin Regel . J. . 15008 4 Richele Thompson . J. . 15008 5 James Hoch . A. . 15008 6 John Cavanagh . . . 15008 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15008 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 519 15008 '15N chemical shifts' 127 15008 '1H chemical shifts' 746 15008 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-05-09 2006-11-01 original author . 15008 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15009 'Spo0F I90A mutant' 15008 BMRB 15010 'Spo0F L66A mutant' 15008 BMRB 15011 'Spo0F Y13A mutant' 15008 PDB 1FSP 'Strucutral coordinates of wild-type Spo0F from Bacillus subtilis' 15008 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15008 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17350627 _Citation.Full_citation . _Citation.Title 'Predominantly buried residues in the response regulator Spo0F influence specific sensor kinase recognition' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 581 _Citation.Journal_issue 7 _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 1425 _Citation.Page_last 1429 _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 Patrick McLaughlin . D. . 15008 1 2 Benjamin Bobay . G. . 15008 1 3 Erin Regel . J. . 15008 1 4 Richele Thompson . J. . 15008 1 5 James Hoch . A. . 15008 1 6 John Cavanagh . . . 15008 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID mutant 15008 1 Spo0F 15008 1 sporulation 15008 1 'surface recognition' 15008 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15008 _Assembly.ID 1 _Assembly.Name 'Spo0FH101A monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _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 'Spo0FH101A monomer' 1 $Spo0FH101A A . yes native no no . . . 15008 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1FSP . . 'solution NMR' 2.0 wild-type 'Wild-type Spo0F' 15008 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID phosphotransferase 15008 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Spo0FH101A _Entity.Sf_category entity _Entity.Sf_framecode Spo0FH101A _Entity.Entry_ID 15008 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Spo0FH101A _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 ; MMNEKILIVDDQYGIRILLN EVFNKEGYQTFQAANGLQAL DIVTKERPDLVLLDMKIPGM DGIEILKRMKVIDENIRVII MTAYGELDMIQESKELGALT AFAKPFDIDEIRDAVKKYLP LKSNLEHHHHHH ; _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 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation H101A _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 BMRB 15009 . Spo0FI90A . . . . . 100.00 144 98.48 98.48 4.35e-87 . . . . 15008 1 2 no BMRB 15010 . Spo0FL66A . . . . . 100.00 132 98.48 98.48 3.81e-87 . . . . 15008 1 3 no BMRB 15011 . Spo0FY13A . . . . . 100.00 132 98.48 98.48 1.21e-86 . . . . 15008 1 4 no PDB 1F51 . "A Transient Interaction Between Two Phosphorelay Proteins Trapped In A Crystal Lattice Reveals The Mechanism Of Molecular Recog" . . . . . 90.15 119 98.32 98.32 3.76e-75 . . . . 15008 1 5 no PDB 1FSP . "Nmr Solution Structure Of Bacillus Subtilis Spo0f Protein, 20 Structures" . . . . . 93.94 124 99.19 99.19 1.87e-80 . . . . 15008 1 6 no PDB 1NAT . "Crystal Structure Of Spoof From Bacillus Subtilis" . . . . . 93.94 124 99.19 99.19 1.87e-80 . . . . 15008 1 7 no PDB 1PEY . "Crystal Structure Of The Response Regulator Spo0f Complexed With Mn2+" . . . . . 93.94 124 98.39 98.39 3.05e-79 . . . . 15008 1 8 no PDB 1PUX . "Nmr Solution Structure Of Bef3-Activated Spo0f, 20 Conformers" . . . . . 93.94 124 99.19 99.19 1.87e-80 . . . . 15008 1 9 no PDB 1SRR . "Crystal Structure Of A Phosphatase Resistant Mutant Of Sporulation Response Regulator Spo0f From Bacillus Subtilis" . . . . . 93.94 124 98.39 98.39 3.05e-79 . . . . 15008 1 10 no PDB 2FSP . "Nmr Solution Structure Of Bacillus Subtilis Spo0f Protein, Minimized Average Structure" . . . . . 93.94 124 99.19 99.19 1.87e-80 . . . . 15008 1 11 no PDB 2FTK . "Berylloflouride Spo0f Complex With Spo0b" . . . . . 93.94 124 97.58 97.58 2.65e-78 . . . . 15008 1 12 no PDB 2JVI . "Nmr Solution Structure Of The Hyper-Sporulation Response Regulator Spo0f Mutant H101a From Bacillus Subtilis" . . . . . 100.00 132 100.00 100.00 5.75e-89 . . . . 15008 1 13 no PDB 2JVJ . "Nmr Solution Structure Of The Hyper-Sporulation Response Regulator Spo0f Mutant I90a From Bacillus Subtilis" . . . . . 100.00 132 98.48 98.48 3.41e-87 . . . . 15008 1 14 no PDB 2JVK . "Nmr Solution Structure Of The Hyper-Sporulation Response Regulator Spo0f Mutant L66a From Bacillus Subtilis" . . . . . 100.00 132 98.48 98.48 3.81e-87 . . . . 15008 1 15 no PDB 3Q15 . "Crystal Structure Of Raph Complexed With Spo0f" . . . . . 93.94 126 99.19 99.19 1.85e-80 . . . . 15008 1 16 no DBJ BAI87374 . "two-component response regulator [Bacillus subtilis subsp. natto BEST195]" . . . . . 93.94 124 99.19 99.19 1.87e-80 . . . . 15008 1 17 no DBJ BAM55796 . "two-component response regulator [Bacillus subtilis BEST7613]" . . . . . 93.18 123 99.19 99.19 1.29e-79 . . . . 15008 1 18 no DBJ BAM59808 . "two-component response regulator [Bacillus subtilis BEST7003]" . . . . . 93.18 123 99.19 99.19 1.29e-79 . . . . 15008 1 19 no DBJ GAK81027 . "two-component response regulator [Bacillus subtilis Miyagi-4]" . . . . . 93.94 124 99.19 99.19 1.87e-80 . . . . 15008 1 20 no EMBL CAA27217 . "unnamed protein product [Bacillus subtilis]" . . . . . 93.94 124 99.19 99.19 1.87e-80 . . . . 15008 1 21 no EMBL CAA89872 . "spo0F [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 93.94 124 99.19 99.19 1.87e-80 . . . . 15008 1 22 no EMBL CAB15730 . "two-component response regulator [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 93.94 124 99.19 99.19 1.87e-80 . . . . 15008 1 23 no EMBL CCU60811 . "Sporulation initiation phosphotransferase (Spo0F) [Bacillus subtilis E1]" . . . . . 93.94 124 99.19 99.19 1.87e-80 . . . . 15008 1 24 no EMBL CEI59521 . "sporulation initiation phosphotransferase F [Bacillus subtilis]" . . . . . 93.94 124 99.19 99.19 1.87e-80 . . . . 15008 1 25 no GB AAA16802 . "spo0F [Bacillus subtilis]" . . . . . 93.94 124 99.19 99.19 1.87e-80 . . . . 15008 1 26 no GB AAA22787 . "Spo0F protein [Bacillus subtilis]" . . . . . 93.94 124 99.19 99.19 1.87e-80 . . . . 15008 1 27 no GB ADM39703 . "two-component response regulator [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 93.18 123 99.19 99.19 1.29e-79 . . . . 15008 1 28 no GB ADP34224 . "two-component response regulator [Bacillus atrophaeus 1942]" . . . . . 93.18 123 97.56 99.19 2.20e-78 . . . . 15008 1 29 no GB ADV94523 . "two-component response regulator [Bacillus subtilis BSn5]" . . . . . 93.18 123 99.19 99.19 1.29e-79 . . . . 15008 1 30 no PRF 1306301A . "spo0F gene" . . . . . 93.94 123 98.39 98.39 5.27e-78 . . . . 15008 1 31 no REF NP_391594 . "sporulation initiation phosphotransferase F [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 93.94 124 99.19 99.19 1.87e-80 . . . . 15008 1 32 no REF WP_003221952 . "MULTISPECIES: two-component system response regulator [Bacillales]" . . . . . 93.18 123 99.19 99.19 1.29e-79 . . . . 15008 1 33 no REF WP_003227621 . "two-component system response regulator [Bacillus subtilis]" . . . . . 93.94 124 99.19 99.19 1.87e-80 . . . . 15008 1 34 no REF WP_003326524 . "MULTISPECIES: two-component system response regulator [Bacillus subtilis group]" . . . . . 93.18 123 97.56 99.19 8.70e-79 . . . . 15008 1 35 no REF WP_010328945 . "MULTISPECIES: two-component system response regulator [Bacillus]" . . . . . 93.18 123 97.56 99.19 3.48e-78 . . . . 15008 1 36 no SP P06628 . "RecName: Full=Sporulation initiation phosphotransferase F; AltName: Full=Stage 0 sporulation protein F" . . . . . 93.94 124 99.19 99.19 1.87e-80 . . . . 15008 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID phosphotransferase 15008 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 . MET . 15008 1 2 . MET . 15008 1 3 . ASN . 15008 1 4 . GLU . 15008 1 5 . LYS . 15008 1 6 . ILE . 15008 1 7 . LEU . 15008 1 8 . ILE . 15008 1 9 . VAL . 15008 1 10 . ASP . 15008 1 11 . ASP . 15008 1 12 . GLN . 15008 1 13 . TYR . 15008 1 14 . GLY . 15008 1 15 . ILE . 15008 1 16 . ARG . 15008 1 17 . ILE . 15008 1 18 . LEU . 15008 1 19 . LEU . 15008 1 20 . ASN . 15008 1 21 . GLU . 15008 1 22 . VAL . 15008 1 23 . PHE . 15008 1 24 . ASN . 15008 1 25 . LYS . 15008 1 26 . GLU . 15008 1 27 . GLY . 15008 1 28 . TYR . 15008 1 29 . GLN . 15008 1 30 . THR . 15008 1 31 . PHE . 15008 1 32 . GLN . 15008 1 33 . ALA . 15008 1 34 . ALA . 15008 1 35 . ASN . 15008 1 36 . GLY . 15008 1 37 . LEU . 15008 1 38 . GLN . 15008 1 39 . ALA . 15008 1 40 . LEU . 15008 1 41 . ASP . 15008 1 42 . ILE . 15008 1 43 . VAL . 15008 1 44 . THR . 15008 1 45 . LYS . 15008 1 46 . GLU . 15008 1 47 . ARG . 15008 1 48 . PRO . 15008 1 49 . ASP . 15008 1 50 . LEU . 15008 1 51 . VAL . 15008 1 52 . LEU . 15008 1 53 . LEU . 15008 1 54 . ASP . 15008 1 55 . MET . 15008 1 56 . LYS . 15008 1 57 . ILE . 15008 1 58 . PRO . 15008 1 59 . GLY . 15008 1 60 . MET . 15008 1 61 . ASP . 15008 1 62 . GLY . 15008 1 63 . ILE . 15008 1 64 . GLU . 15008 1 65 . ILE . 15008 1 66 . LEU . 15008 1 67 . LYS . 15008 1 68 . ARG . 15008 1 69 . MET . 15008 1 70 . LYS . 15008 1 71 . VAL . 15008 1 72 . ILE . 15008 1 73 . ASP . 15008 1 74 . GLU . 15008 1 75 . ASN . 15008 1 76 . ILE . 15008 1 77 . ARG . 15008 1 78 . VAL . 15008 1 79 . ILE . 15008 1 80 . ILE . 15008 1 81 . MET . 15008 1 82 . THR . 15008 1 83 . ALA . 15008 1 84 . TYR . 15008 1 85 . GLY . 15008 1 86 . GLU . 15008 1 87 . LEU . 15008 1 88 . ASP . 15008 1 89 . MET . 15008 1 90 . ILE . 15008 1 91 . GLN . 15008 1 92 . GLU . 15008 1 93 . SER . 15008 1 94 . LYS . 15008 1 95 . GLU . 15008 1 96 . LEU . 15008 1 97 . GLY . 15008 1 98 . ALA . 15008 1 99 . LEU . 15008 1 100 . THR . 15008 1 101 . ALA . 15008 1 102 . PHE . 15008 1 103 . ALA . 15008 1 104 . LYS . 15008 1 105 . PRO . 15008 1 106 . PHE . 15008 1 107 . ASP . 15008 1 108 . ILE . 15008 1 109 . ASP . 15008 1 110 . GLU . 15008 1 111 . ILE . 15008 1 112 . ARG . 15008 1 113 . ASP . 15008 1 114 . ALA . 15008 1 115 . VAL . 15008 1 116 . LYS . 15008 1 117 . LYS . 15008 1 118 . TYR . 15008 1 119 . LEU . 15008 1 120 . PRO . 15008 1 121 . LEU . 15008 1 122 . LYS . 15008 1 123 . SER . 15008 1 124 . ASN . 15008 1 125 . LEU . 15008 1 126 . GLU . 15008 1 127 . HIS . 15008 1 128 . HIS . 15008 1 129 . HIS . 15008 1 130 . HIS . 15008 1 131 . HIS . 15008 1 132 . HIS . 15008 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 15008 1 . MET 2 2 15008 1 . ASN 3 3 15008 1 . GLU 4 4 15008 1 . LYS 5 5 15008 1 . ILE 6 6 15008 1 . LEU 7 7 15008 1 . ILE 8 8 15008 1 . VAL 9 9 15008 1 . ASP 10 10 15008 1 . ASP 11 11 15008 1 . GLN 12 12 15008 1 . TYR 13 13 15008 1 . GLY 14 14 15008 1 . ILE 15 15 15008 1 . ARG 16 16 15008 1 . ILE 17 17 15008 1 . LEU 18 18 15008 1 . LEU 19 19 15008 1 . ASN 20 20 15008 1 . GLU 21 21 15008 1 . VAL 22 22 15008 1 . PHE 23 23 15008 1 . ASN 24 24 15008 1 . LYS 25 25 15008 1 . GLU 26 26 15008 1 . GLY 27 27 15008 1 . TYR 28 28 15008 1 . GLN 29 29 15008 1 . THR 30 30 15008 1 . PHE 31 31 15008 1 . GLN 32 32 15008 1 . ALA 33 33 15008 1 . ALA 34 34 15008 1 . ASN 35 35 15008 1 . GLY 36 36 15008 1 . LEU 37 37 15008 1 . GLN 38 38 15008 1 . ALA 39 39 15008 1 . LEU 40 40 15008 1 . ASP 41 41 15008 1 . ILE 42 42 15008 1 . VAL 43 43 15008 1 . THR 44 44 15008 1 . LYS 45 45 15008 1 . GLU 46 46 15008 1 . ARG 47 47 15008 1 . PRO 48 48 15008 1 . ASP 49 49 15008 1 . LEU 50 50 15008 1 . VAL 51 51 15008 1 . LEU 52 52 15008 1 . LEU 53 53 15008 1 . ASP 54 54 15008 1 . MET 55 55 15008 1 . LYS 56 56 15008 1 . ILE 57 57 15008 1 . PRO 58 58 15008 1 . GLY 59 59 15008 1 . MET 60 60 15008 1 . ASP 61 61 15008 1 . GLY 62 62 15008 1 . ILE 63 63 15008 1 . GLU 64 64 15008 1 . ILE 65 65 15008 1 . LEU 66 66 15008 1 . LYS 67 67 15008 1 . ARG 68 68 15008 1 . MET 69 69 15008 1 . LYS 70 70 15008 1 . VAL 71 71 15008 1 . ILE 72 72 15008 1 . ASP 73 73 15008 1 . GLU 74 74 15008 1 . ASN 75 75 15008 1 . ILE 76 76 15008 1 . ARG 77 77 15008 1 . VAL 78 78 15008 1 . ILE 79 79 15008 1 . ILE 80 80 15008 1 . MET 81 81 15008 1 . THR 82 82 15008 1 . ALA 83 83 15008 1 . TYR 84 84 15008 1 . GLY 85 85 15008 1 . GLU 86 86 15008 1 . LEU 87 87 15008 1 . ASP 88 88 15008 1 . MET 89 89 15008 1 . ILE 90 90 15008 1 . GLN 91 91 15008 1 . GLU 92 92 15008 1 . SER 93 93 15008 1 . LYS 94 94 15008 1 . GLU 95 95 15008 1 . LEU 96 96 15008 1 . GLY 97 97 15008 1 . ALA 98 98 15008 1 . LEU 99 99 15008 1 . THR 100 100 15008 1 . ALA 101 101 15008 1 . PHE 102 102 15008 1 . ALA 103 103 15008 1 . LYS 104 104 15008 1 . PRO 105 105 15008 1 . PHE 106 106 15008 1 . ASP 107 107 15008 1 . ILE 108 108 15008 1 . ASP 109 109 15008 1 . GLU 110 110 15008 1 . ILE 111 111 15008 1 . ARG 112 112 15008 1 . ASP 113 113 15008 1 . ALA 114 114 15008 1 . VAL 115 115 15008 1 . LYS 116 116 15008 1 . LYS 117 117 15008 1 . TYR 118 118 15008 1 . LEU 119 119 15008 1 . PRO 120 120 15008 1 . LEU 121 121 15008 1 . LYS 122 122 15008 1 . SER 123 123 15008 1 . ASN 124 124 15008 1 . LEU 125 125 15008 1 . GLU 126 126 15008 1 . HIS 127 127 15008 1 . HIS 128 128 15008 1 . HIS 129 129 15008 1 . HIS 130 130 15008 1 . HIS 131 131 15008 1 . HIS 132 132 15008 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 15008 _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 $Spo0FH101A . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 15008 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 15008 _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 $Spo0FH101A . 'recombinant technology' 'Escherichia coli' . . . . . BL21(DE)3 . . . . . . . . . . . . . . . pET23 . . . . . . 15008 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15008 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Spo0FH101A '[U-99% 13C; U-99% 15N]' . . 1 $Spo0FH101A . . . 1.0 2.0 mM . . . . 15008 1 2 TRIS none . . . . . . 25 . . mM . . . . 15008 1 3 'potassium chloride' none . . . . . . 50 . . mM . . . . 15008 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 15008 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 15008 1 pH 6.9 . pH 15008 1 pressure 1 . atm 15008 1 temperature 298 . K 15008 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15008 _Software.ID 1 _Software.Name NMRView _Software.Version 5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'B Johnson, One Moon Scientific' . . 15008 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15008 1 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 15008 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 15008 _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 Varian INOVA . 600 . . . 15008 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 15008 _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 . . . . . . . . . . . . . . . . 15008 1 2 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15008 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15008 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15008 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15008 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15008 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15008 1 8 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15008 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 15008 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.25144953 . . . 1 $entry_citation . . 1 $entry_citation 15008 1 H 1 water protons . . . . ppm 4.74 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 15008 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15008 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 15008 _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' 1 $sample_1 . 15008 1 2 '3D C(CO)NH' 1 $sample_1 . 15008 1 3 '3D HNCO' 1 $sample_1 . 15008 1 4 '3D HNCA' 1 $sample_1 . 15008 1 5 '3D HNCACB' 1 $sample_1 . 15008 1 6 '3D HN(CO)CA' 1 $sample_1 . 15008 1 7 '3D H(CCO)NH' 1 $sample_1 . 15008 1 8 '3D HCACO' 1 $sample_1 . 15008 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 MET HA H 1 4.444 0.001 . 1 . . . . 2 MET HA . 15008 1 2 . 1 1 2 2 MET HB2 H 1 2.007 0.001 . 2 . . . . 2 MET HB1 . 15008 1 3 . 1 1 2 2 MET HB3 H 1 2.137 0.001 . 2 . . . . 2 MET HB2 . 15008 1 4 . 1 1 2 2 MET HG2 H 1 2.52 0.001 . 2 . . . . 2 MET HG1 . 15008 1 5 . 1 1 2 2 MET CA C 13 53.334 0.2 . 1 . . . . 2 MET CA . 15008 1 6 . 1 1 2 2 MET CB C 13 24.587 0.2 . 1 . . . . 2 MET CB . 15008 1 7 . 1 1 2 2 MET CG C 13 30.146 0.2 . 1 . . . . 2 MET CG . 15008 1 8 . 1 1 3 3 ASN H H 1 8.449 0.001 . 1 . . . . 3 ASN H . 15008 1 9 . 1 1 3 3 ASN HA H 1 4.494 0.001 . 1 . . . . 3 ASN HA . 15008 1 10 . 1 1 3 3 ASN HB2 H 1 2.866 0.001 . 2 . . . . 3 ASN HB1 . 15008 1 11 . 1 1 3 3 ASN CA C 13 53.348 0.2 . 1 . . . . 3 ASN CA . 15008 1 12 . 1 1 3 3 ASN CB C 13 30.219 0.2 . 1 . . . . 3 ASN CB . 15008 1 13 . 1 1 3 3 ASN N N 15 117.625 0.2 . 1 . . . . 3 ASN N . 15008 1 14 . 1 1 4 4 GLU H H 1 8.442 0.001 . 1 . . . . 4 GLU H . 15008 1 15 . 1 1 4 4 GLU HA H 1 4.346 0.001 . 1 . . . . 4 GLU HA . 15008 1 16 . 1 1 4 4 GLU HB2 H 1 2.22 0.001 . 2 . . . . 4 GLU HB1 . 15008 1 17 . 1 1 4 4 GLU HB3 H 1 1.835 0.001 . 2 . . . . 4 GLU HB2 . 15008 1 18 . 1 1 4 4 GLU HG2 H 1 2.423 0.001 . 2 . . . . 4 GLU HG1 . 15008 1 19 . 1 1 4 4 GLU HG3 H 1 2.324 0.001 . 2 . . . . 4 GLU HG2 . 15008 1 20 . 1 1 4 4 GLU C C 13 176.285 0.2 . 1 . . . . 4 GLU C . 15008 1 21 . 1 1 4 4 GLU CA C 13 56.731 0.2 . 1 . . . . 4 GLU CA . 15008 1 22 . 1 1 4 4 GLU CB C 13 35.042 0.2 . 1 . . . . 4 GLU CB . 15008 1 23 . 1 1 4 4 GLU CG C 13 28.961 0.2 . 1 . . . . 4 GLU CG . 15008 1 24 . 1 1 4 4 GLU N N 15 117.659 0.2 . 1 . . . . 4 GLU N . 15008 1 25 . 1 1 5 5 LYS H H 1 9.283 0.001 . 1 . . . . 5 LYS H . 15008 1 26 . 1 1 5 5 LYS HA H 1 5.463 0.001 . 1 . . . . 5 LYS HA . 15008 1 27 . 1 1 5 5 LYS HB2 H 1 1.942 0.001 . 2 . . . . 5 LYS HB1 . 15008 1 28 . 1 1 5 5 LYS HG2 H 1 1.761 0.001 . 2 . . . . 5 LYS HG1 . 15008 1 29 . 1 1 5 5 LYS HG3 H 1 1.46 0.001 . 2 . . . . 5 LYS HG2 . 15008 1 30 . 1 1 5 5 LYS HD2 H 1 1.646 0.001 . 2 . . . . 5 LYS HD1 . 15008 1 31 . 1 1 5 5 LYS HE2 H 1 3.124 0.001 . 2 . . . . 5 LYS HE1 . 15008 1 32 . 1 1 5 5 LYS C C 13 176.646 0.2 . 1 . . . . 5 LYS C . 15008 1 33 . 1 1 5 5 LYS CA C 13 53.339 0.2 . 1 . . . . 5 LYS CA . 15008 1 34 . 1 1 5 5 LYS CB C 13 35.865 0.2 . 1 . . . . 5 LYS CB . 15008 1 35 . 1 1 5 5 LYS CG C 13 22.889 0.2 . 1 . . . . 5 LYS CG . 15008 1 36 . 1 1 5 5 LYS CD C 13 28.379 0.2 . 1 . . . . 5 LYS CD . 15008 1 37 . 1 1 5 5 LYS CE C 13 40.12 0.2 . 1 . . . . 5 LYS CE . 15008 1 38 . 1 1 5 5 LYS N N 15 120.371 0.2 . 1 . . . . 5 LYS N . 15008 1 39 . 1 1 6 6 ILE H H 1 8.872 0.001 . 1 . . . . 6 ILE H . 15008 1 40 . 1 1 6 6 ILE HA H 1 4.9 0.001 . 1 . . . . 6 ILE HA . 15008 1 41 . 1 1 6 6 ILE HB H 1 1.217 0.001 . 1 . . . . 6 ILE HB . 15008 1 42 . 1 1 6 6 ILE HG12 H 1 1.009 0.001 . 2 . . . . 6 ILE HG11 . 15008 1 43 . 1 1 6 6 ILE HG21 H 1 0.297 0.001 . 1 . . . . 6 ILE HG2 . 15008 1 44 . 1 1 6 6 ILE HG22 H 1 0.297 0.001 . 1 . . . . 6 ILE HG2 . 15008 1 45 . 1 1 6 6 ILE HG23 H 1 0.297 0.001 . 1 . . . . 6 ILE HG2 . 15008 1 46 . 1 1 6 6 ILE HD11 H 1 -0.641 0.001 . 1 . . . . 6 ILE HD1 . 15008 1 47 . 1 1 6 6 ILE HD12 H 1 -0.641 0.001 . 1 . . . . 6 ILE HD1 . 15008 1 48 . 1 1 6 6 ILE HD13 H 1 -0.641 0.001 . 1 . . . . 6 ILE HD1 . 15008 1 49 . 1 1 6 6 ILE C C 13 174.706 0.2 . 1 . . . . 6 ILE C . 15008 1 50 . 1 1 6 6 ILE CA C 13 57.194 0.2 . 1 . . . . 6 ILE CA . 15008 1 51 . 1 1 6 6 ILE CB C 13 40.439 0.2 . 1 . . . . 6 ILE CB . 15008 1 52 . 1 1 6 6 ILE CG1 C 13 25.075 0.2 . 1 . . . . 6 ILE CG1 . 15008 1 53 . 1 1 6 6 ILE CG2 C 13 14.565 0.2 . 1 . . . . 6 ILE CG2 . 15008 1 54 . 1 1 6 6 ILE CD1 C 13 11.27 0.2 . 1 . . . . 6 ILE CD1 . 15008 1 55 . 1 1 6 6 ILE N N 15 121.783 0.2 . 1 . . . . 6 ILE N . 15008 1 56 . 1 1 7 7 LEU H H 1 8.769 0.001 . 1 . . . . 7 LEU H . 15008 1 57 . 1 1 7 7 LEU HA H 1 5.15 0.001 . 1 . . . . 7 LEU HA . 15008 1 58 . 1 1 7 7 LEU HB2 H 1 1.415 0.001 . 2 . . . . 7 LEU HB1 . 15008 1 59 . 1 1 7 7 LEU HG H 1 1.054 0.001 . 1 . . . . 7 LEU HG . 15008 1 60 . 1 1 7 7 LEU HD21 H 1 0.743 0.001 . 1 . . . . 7 LEU HD2 . 15008 1 61 . 1 1 7 7 LEU HD22 H 1 0.743 0.001 . 1 . . . . 7 LEU HD2 . 15008 1 62 . 1 1 7 7 LEU HD23 H 1 0.743 0.001 . 1 . . . . 7 LEU HD2 . 15008 1 63 . 1 1 7 7 LEU C C 13 173.62 0.2 . 1 . . . . 7 LEU C . 15008 1 64 . 1 1 7 7 LEU CA C 13 50.697 0.2 . 1 . . . . 7 LEU CA . 15008 1 65 . 1 1 7 7 LEU CB C 13 42.991 0.2 . 1 . . . . 7 LEU CB . 15008 1 66 . 1 1 7 7 LEU CG C 13 21.506 0.2 . 1 . . . . 7 LEU CG . 15008 1 67 . 1 1 7 7 LEU CD1 C 13 25.33 0.2 . 2 . . . . 7 LEU CD1 . 15008 1 68 . 1 1 7 7 LEU N N 15 127.716 0.2 . 1 . . . . 7 LEU N . 15008 1 69 . 1 1 8 8 ILE H H 1 9.058 0.001 . 1 . . . . 8 ILE H . 15008 1 70 . 1 1 8 8 ILE HA H 1 4.358 0.001 . 1 . . . . 8 ILE HA . 15008 1 71 . 1 1 8 8 ILE HB H 1 1.877 0.001 . 1 . . . . 8 ILE HB . 15008 1 72 . 1 1 8 8 ILE HG12 H 1 1.656 0.001 . 2 . . . . 8 ILE HG11 . 15008 1 73 . 1 1 8 8 ILE HG21 H 1 1.1 0.001 . 1 . . . . 8 ILE HG2 . 15008 1 74 . 1 1 8 8 ILE HG22 H 1 1.1 0.001 . 1 . . . . 8 ILE HG2 . 15008 1 75 . 1 1 8 8 ILE HG23 H 1 1.1 0.001 . 1 . . . . 8 ILE HG2 . 15008 1 76 . 1 1 8 8 ILE HD11 H 1 0.961 0.001 . 1 . . . . 8 ILE HD1 . 15008 1 77 . 1 1 8 8 ILE HD12 H 1 0.961 0.001 . 1 . . . . 8 ILE HD1 . 15008 1 78 . 1 1 8 8 ILE HD13 H 1 0.961 0.001 . 1 . . . . 8 ILE HD1 . 15008 1 79 . 1 1 8 8 ILE C C 13 174.02 0.2 . 1 . . . . 8 ILE C . 15008 1 80 . 1 1 8 8 ILE CA C 13 59.229 0.2 . 1 . . . . 8 ILE CA . 15008 1 81 . 1 1 8 8 ILE CB C 13 38.738 0.2 . 1 . . . . 8 ILE CB . 15008 1 82 . 1 1 8 8 ILE CG1 C 13 26.107 0.2 . 1 . . . . 8 ILE CG1 . 15008 1 83 . 1 1 8 8 ILE CG2 C 13 17.713 0.2 . 1 . . . . 8 ILE CG2 . 15008 1 84 . 1 1 8 8 ILE CD1 C 13 12.775 0.2 . 1 . . . . 8 ILE CD1 . 15008 1 85 . 1 1 8 8 ILE N N 15 128.855 0.2 . 1 . . . . 8 ILE N . 15008 1 86 . 1 1 9 9 VAL H H 1 9.084 0.001 . 1 . . . . 9 VAL H . 15008 1 87 . 1 1 9 9 VAL HA H 1 4.922 0.001 . 1 . . . . 9 VAL HA . 15008 1 88 . 1 1 9 9 VAL HB H 1 2.4 0.001 . 1 . . . . 9 VAL HB . 15008 1 89 . 1 1 9 9 VAL HG11 H 1 0.685 0.001 . 1 . . . . 9 VAL HG1 . 15008 1 90 . 1 1 9 9 VAL HG12 H 1 0.685 0.001 . 1 . . . . 9 VAL HG1 . 15008 1 91 . 1 1 9 9 VAL HG13 H 1 0.685 0.001 . 1 . . . . 9 VAL HG1 . 15008 1 92 . 1 1 9 9 VAL HG21 H 1 0.54 0.001 . 1 . . . . 9 VAL HG2 . 15008 1 93 . 1 1 9 9 VAL HG22 H 1 0.54 0.001 . 1 . . . . 9 VAL HG2 . 15008 1 94 . 1 1 9 9 VAL HG23 H 1 0.54 0.001 . 1 . . . . 9 VAL HG2 . 15008 1 95 . 1 1 9 9 VAL C C 13 174.121 0.2 . 1 . . . . 9 VAL C . 15008 1 96 . 1 1 9 9 VAL CA C 13 57.77 0.2 . 1 . . . . 9 VAL CA . 15008 1 97 . 1 1 9 9 VAL CB C 13 30.035 0.2 . 1 . . . . 9 VAL CB . 15008 1 98 . 1 1 9 9 VAL CG1 C 13 19.007 0.2 . 2 . . . . 9 VAL CG1 . 15008 1 99 . 1 1 9 9 VAL CG2 C 13 17.067 0.2 . 2 . . . . 9 VAL CG2 . 15008 1 100 . 1 1 9 9 VAL N N 15 128.403 0.2 . 1 . . . . 9 VAL N . 15008 1 101 . 1 1 10 10 ASP H H 1 7.97 0.001 . 1 . . . . 10 ASP H . 15008 1 102 . 1 1 10 10 ASP HA H 1 4.708 0.001 . 1 . . . . 10 ASP HA . 15008 1 103 . 1 1 10 10 ASP HB2 H 1 2.321 0.001 . 2 . . . . 10 ASP HB1 . 15008 1 104 . 1 1 10 10 ASP HB3 H 1 2.37 0.001 . 2 . . . . 10 ASP HB2 . 15008 1 105 . 1 1 10 10 ASP C C 13 175.495 0.2 . 1 . . . . 10 ASP C . 15008 1 106 . 1 1 10 10 ASP CA C 13 52.797 0.2 . 1 . . . . 10 ASP CA . 15008 1 107 . 1 1 10 10 ASP CB C 13 43.212 0.2 . 1 . . . . 10 ASP CB . 15008 1 108 . 1 1 10 10 ASP N N 15 123.454 0.2 . 1 . . . . 10 ASP N . 15008 1 109 . 1 1 11 11 ASP H H 1 9.134 0.001 . 1 . . . . 11 ASP H . 15008 1 110 . 1 1 11 11 ASP HA H 1 4.562 0.001 . 1 . . . . 11 ASP HA . 15008 1 111 . 1 1 11 11 ASP HB2 H 1 2.672 0.001 . 2 . . . . 11 ASP HB1 . 15008 1 112 . 1 1 11 11 ASP HB3 H 1 2.862 0.001 . 2 . . . . 11 ASP HB2 . 15008 1 113 . 1 1 11 11 ASP C C 13 176.93 0.2 . 1 . . . . 11 ASP C . 15008 1 114 . 1 1 11 11 ASP CA C 13 53.673 0.2 . 1 . . . . 11 ASP CA . 15008 1 115 . 1 1 11 11 ASP CB C 13 40.775 0.2 . 1 . . . . 11 ASP CB . 15008 1 116 . 1 1 11 11 ASP N N 15 126.884 0.2 . 1 . . . . 11 ASP N . 15008 1 117 . 1 1 12 12 GLN H H 1 9.614 0.001 . 1 . . . . 12 GLN H . 15008 1 118 . 1 1 12 12 GLN HA H 1 4.362 0.001 . 1 . . . . 12 GLN HA . 15008 1 119 . 1 1 12 12 GLN HB2 H 1 2.161 0.001 . 2 . . . . 12 GLN HB1 . 15008 1 120 . 1 1 12 12 GLN HG2 H 1 2.473 0.001 . 2 . . . . 12 GLN HG1 . 15008 1 121 . 1 1 12 12 GLN HG3 H 1 2.364 0.001 . 2 . . . . 12 GLN HG2 . 15008 1 122 . 1 1 12 12 GLN CA C 13 53.23 0.2 . 1 . . . . 12 GLN CA . 15008 1 123 . 1 1 12 12 GLN CB C 13 26.402 0.2 . 1 . . . . 12 GLN CB . 15008 1 124 . 1 1 12 12 GLN CG C 13 32.097 0.2 . 1 . . . . 12 GLN CG . 15008 1 125 . 1 1 12 12 GLN N N 15 120.897 0.2 . 1 . . . . 12 GLN N . 15008 1 126 . 1 1 13 13 TYR H H 1 8.892 0.001 . 1 . . . . 13 TYR H . 15008 1 127 . 1 1 13 13 TYR HA H 1 3.864 0.001 . 1 . . . . 13 TYR HA . 15008 1 128 . 1 1 13 13 TYR HB2 H 1 2.898 0.001 . 2 . . . . 13 TYR HB1 . 15008 1 129 . 1 1 13 13 TYR HB3 H 1 3.07 0.001 . 2 . . . . 13 TYR HB2 . 15008 1 130 . 1 1 13 13 TYR C C 13 176.826 0.2 . 1 . . . . 13 TYR C . 15008 1 131 . 1 1 13 13 TYR CA C 13 59.744 0.2 . 1 . . . . 13 TYR CA . 15008 1 132 . 1 1 13 13 TYR CB C 13 36.967 0.2 . 1 . . . . 13 TYR CB . 15008 1 133 . 1 1 13 13 TYR N N 15 129.269 0.2 . 1 . . . . 13 TYR N . 15008 1 134 . 1 1 14 14 GLY H H 1 8.878 0.001 . 1 . . . . 14 GLY H . 15008 1 135 . 1 1 14 14 GLY HA2 H 1 3.566 0.001 . 2 . . . . 14 GLY HA1 . 15008 1 136 . 1 1 14 14 GLY HA3 H 1 3.792 0.001 . 2 . . . . 14 GLY HA2 . 15008 1 137 . 1 1 14 14 GLY C C 13 177.034 0.2 . 1 . . . . 14 GLY C . 15008 1 138 . 1 1 14 14 GLY CA C 13 44.585 0.2 . 1 . . . . 14 GLY CA . 15008 1 139 . 1 1 14 14 GLY N N 15 103.673 0.2 . 1 . . . . 14 GLY N . 15008 1 140 . 1 1 15 15 ILE H H 1 6.951 0.001 . 1 . . . . 15 ILE H . 15008 1 141 . 1 1 15 15 ILE HA H 1 3.934 0.001 . 1 . . . . 15 ILE HA . 15008 1 142 . 1 1 15 15 ILE HB H 1 2.072 0.001 . 1 . . . . 15 ILE HB . 15008 1 143 . 1 1 15 15 ILE HG12 H 1 1.36 0.001 . 2 . . . . 15 ILE HG11 . 15008 1 144 . 1 1 15 15 ILE HG21 H 1 0.659 0.001 . 1 . . . . 15 ILE HG2 . 15008 1 145 . 1 1 15 15 ILE HG22 H 1 0.659 0.001 . 1 . . . . 15 ILE HG2 . 15008 1 146 . 1 1 15 15 ILE HG23 H 1 0.659 0.001 . 1 . . . . 15 ILE HG2 . 15008 1 147 . 1 1 15 15 ILE HD11 H 1 0.87 0.001 . 1 . . . . 15 ILE HD1 . 15008 1 148 . 1 1 15 15 ILE HD12 H 1 0.87 0.001 . 1 . . . . 15 ILE HD1 . 15008 1 149 . 1 1 15 15 ILE HD13 H 1 0.87 0.001 . 1 . . . . 15 ILE HD1 . 15008 1 150 . 1 1 15 15 ILE C C 13 177.569 0.2 . 1 . . . . 15 ILE C . 15008 1 151 . 1 1 15 15 ILE CA C 13 59.59 0.2 . 1 . . . . 15 ILE CA . 15008 1 152 . 1 1 15 15 ILE CB C 13 34.35 0.2 . 1 . . . . 15 ILE CB . 15008 1 153 . 1 1 15 15 ILE CG1 C 13 25.476 0.2 . 1 . . . . 15 ILE CG1 . 15008 1 154 . 1 1 15 15 ILE CG2 C 13 7.91 0.2 . 1 . . . . 15 ILE CG2 . 15008 1 155 . 1 1 15 15 ILE CD1 C 13 15.815 0.2 . 1 . . . . 15 ILE CD1 . 15008 1 156 . 1 1 15 15 ILE N N 15 120.425 0.2 . 1 . . . . 15 ILE N . 15008 1 157 . 1 1 16 16 ARG H H 1 7.879 0.001 . 1 . . . . 16 ARG H . 15008 1 158 . 1 1 16 16 ARG HA H 1 3.758 0.001 . 1 . . . . 16 ARG HA . 15008 1 159 . 1 1 16 16 ARG HB2 H 1 1.673 0.001 . 2 . . . . 16 ARG HB1 . 15008 1 160 . 1 1 16 16 ARG HB3 H 1 1.866 0.001 . 2 . . . . 16 ARG HB2 . 15008 1 161 . 1 1 16 16 ARG HG2 H 1 1.23 0.001 . 2 . . . . 16 ARG HG1 . 15008 1 162 . 1 1 16 16 ARG HD2 H 1 2.995 0.001 . 2 . . . . 16 ARG HD1 . 15008 1 163 . 1 1 16 16 ARG C C 13 178.91 0.2 . 1 . . . . 16 ARG C . 15008 1 164 . 1 1 16 16 ARG CA C 13 59.181 0.2 . 1 . . . . 16 ARG CA . 15008 1 165 . 1 1 16 16 ARG CB C 13 28.657 0.2 . 1 . . . . 16 ARG CB . 15008 1 166 . 1 1 16 16 ARG CG C 13 26.558 0.2 . 1 . . . . 16 ARG CG . 15008 1 167 . 1 1 16 16 ARG CD C 13 41.447 0.2 . 1 . . . . 16 ARG CD . 15008 1 168 . 1 1 16 16 ARG N N 15 120.074 0.2 . 1 . . . . 16 ARG N . 15008 1 169 . 1 1 17 17 ILE H H 1 8.223 0.001 . 1 . . . . 17 ILE H . 15008 1 170 . 1 1 17 17 ILE HA H 1 3.728 0.001 . 1 . . . . 17 ILE HA . 15008 1 171 . 1 1 17 17 ILE HB H 1 1.603 0.001 . 1 . . . . 17 ILE HB . 15008 1 172 . 1 1 17 17 ILE HG12 H 1 1.098 0.001 . 2 . . . . 17 ILE HG11 . 15008 1 173 . 1 1 17 17 ILE HG21 H 1 0.692 0.001 . 1 . . . . 17 ILE HG2 . 15008 1 174 . 1 1 17 17 ILE HG22 H 1 0.692 0.001 . 1 . . . . 17 ILE HG2 . 15008 1 175 . 1 1 17 17 ILE HG23 H 1 0.692 0.001 . 1 . . . . 17 ILE HG2 . 15008 1 176 . 1 1 17 17 ILE C C 13 178.865 0.2 . 1 . . . . 17 ILE C . 15008 1 177 . 1 1 17 17 ILE CA C 13 61.105 0.2 . 1 . . . . 17 ILE CA . 15008 1 178 . 1 1 17 17 ILE CB C 13 35.34 0.2 . 1 . . . . 17 ILE CB . 15008 1 179 . 1 1 17 17 ILE CG1 C 13 25.239 0.2 . 1 . . . . 17 ILE CG1 . 15008 1 180 . 1 1 17 17 ILE CG2 C 13 15.897 0.2 . 1 . . . . 17 ILE CG2 . 15008 1 181 . 1 1 17 17 ILE CD1 C 13 10.216 0.2 . 1 . . . . 17 ILE CD1 . 15008 1 182 . 1 1 17 17 ILE N N 15 115.287 0.2 . 1 . . . . 17 ILE N . 15008 1 183 . 1 1 18 18 LEU H H 1 7.247 0.001 . 1 . . . . 18 LEU H . 15008 1 184 . 1 1 18 18 LEU HA H 1 4.177 0.001 . 1 . . . . 18 LEU HA . 15008 1 185 . 1 1 18 18 LEU HB2 H 1 1.739 0.001 . 2 . . . . 18 LEU HB1 . 15008 1 186 . 1 1 18 18 LEU HB3 H 1 1.796 0.001 . 2 . . . . 18 LEU HB2 . 15008 1 187 . 1 1 18 18 LEU HG H 1 1.512 0.001 . 1 . . . . 18 LEU HG . 15008 1 188 . 1 1 18 18 LEU HD11 H 1 0.885 0.001 . 1 . . . . 18 LEU HD1 . 15008 1 189 . 1 1 18 18 LEU HD12 H 1 0.885 0.001 . 1 . . . . 18 LEU HD1 . 15008 1 190 . 1 1 18 18 LEU HD13 H 1 0.885 0.001 . 1 . . . . 18 LEU HD1 . 15008 1 191 . 1 1 18 18 LEU C C 13 179.234 0.2 . 1 . . . . 18 LEU C . 15008 1 192 . 1 1 18 18 LEU CA C 13 55.904 0.2 . 1 . . . . 18 LEU CA . 15008 1 193 . 1 1 18 18 LEU CB C 13 40.613 0.2 . 1 . . . . 18 LEU CB . 15008 1 194 . 1 1 18 18 LEU CG C 13 23.288 0.2 . 1 . . . . 18 LEU CG . 15008 1 195 . 1 1 18 18 LEU CD1 C 13 21.426 0.2 . 2 . . . . 18 LEU CD1 . 15008 1 196 . 1 1 18 18 LEU CD2 C 13 25.138 0.2 . 2 . . . . 18 LEU CD2 . 15008 1 197 . 1 1 18 18 LEU N N 15 124.052 0.2 . 1 . . . . 18 LEU N . 15008 1 198 . 1 1 19 19 LEU H H 1 8.205 0.001 . 1 . . . . 19 LEU H . 15008 1 199 . 1 1 19 19 LEU HA H 1 3.702 0.001 . 1 . . . . 19 LEU HA . 15008 1 200 . 1 1 19 19 LEU HB2 H 1 1.141 0.001 . 2 . . . . 19 LEU HB1 . 15008 1 201 . 1 1 19 19 LEU HG H 1 1.882 0.001 . 1 . . . . 19 LEU HG . 15008 1 202 . 1 1 19 19 LEU HD11 H 1 0.788 0.001 . 1 . . . . 19 LEU HD1 . 15008 1 203 . 1 1 19 19 LEU HD12 H 1 0.788 0.001 . 1 . . . . 19 LEU HD1 . 15008 1 204 . 1 1 19 19 LEU HD13 H 1 0.788 0.001 . 1 . . . . 19 LEU HD1 . 15008 1 205 . 1 1 19 19 LEU HD21 H 1 0.566 0.001 . 1 . . . . 19 LEU HD2 . 15008 1 206 . 1 1 19 19 LEU HD22 H 1 0.566 0.001 . 1 . . . . 19 LEU HD2 . 15008 1 207 . 1 1 19 19 LEU HD23 H 1 0.566 0.001 . 1 . . . . 19 LEU HD2 . 15008 1 208 . 1 1 19 19 LEU C C 13 178.422 0.2 . 1 . . . . 19 LEU C . 15008 1 209 . 1 1 19 19 LEU CA C 13 55.334 0.2 . 1 . . . . 19 LEU CA . 15008 1 210 . 1 1 19 19 LEU CB C 13 39.945 0.2 . 1 . . . . 19 LEU CB . 15008 1 211 . 1 1 19 19 LEU CD1 C 13 24.463 0.2 . 2 . . . . 19 LEU CD1 . 15008 1 212 . 1 1 19 19 LEU CD2 C 13 20.17 0.2 . 2 . . . . 19 LEU CD2 . 15008 1 213 . 1 1 19 19 LEU N N 15 116.949 0.2 . 1 . . . . 19 LEU N . 15008 1 214 . 1 1 20 20 ASN H H 1 8.439 0.001 . 1 . . . . 20 ASN H . 15008 1 215 . 1 1 20 20 ASN HA H 1 4.084 0.001 . 1 . . . . 20 ASN HA . 15008 1 216 . 1 1 20 20 ASN HB2 H 1 2.561 0.001 . 2 . . . . 20 ASN HB1 . 15008 1 217 . 1 1 20 20 ASN HB3 H 1 2.804 0.001 . 2 . . . . 20 ASN HB2 . 15008 1 218 . 1 1 20 20 ASN HD21 H 1 6.904 0.001 . 2 . . . . 20 ASN HD21 . 15008 1 219 . 1 1 20 20 ASN HD22 H 1 7.587 0.001 . 2 . . . . 20 ASN HD22 . 15008 1 220 . 1 1 20 20 ASN C C 13 177.066 0.2 . 1 . . . . 20 ASN C . 15008 1 221 . 1 1 20 20 ASN CA C 13 55.881 0.2 . 1 . . . . 20 ASN CA . 15008 1 222 . 1 1 20 20 ASN CB C 13 38.415 0.2 . 1 . . . . 20 ASN CB . 15008 1 223 . 1 1 20 20 ASN N N 15 117.626 0.2 . 1 . . . . 20 ASN N . 15008 1 224 . 1 1 20 20 ASN ND2 N 15 114.848 0.2 . 1 . . . . 20 ASN ND2 . 15008 1 225 . 1 1 21 21 GLU H H 1 7.957 0.001 . 1 . . . . 21 GLU H . 15008 1 226 . 1 1 21 21 GLU HA H 1 3.999 0.001 . 1 . . . . 21 GLU HA . 15008 1 227 . 1 1 21 21 GLU HB2 H 1 2.126 0.001 . 2 . . . . 21 GLU HB1 . 15008 1 228 . 1 1 21 21 GLU HG2 H 1 2.224 0.001 . 2 . . . . 21 GLU HG1 . 15008 1 229 . 1 1 21 21 GLU HG3 H 1 2.322 0.001 . 2 . . . . 21 GLU HG2 . 15008 1 230 . 1 1 21 21 GLU C C 13 179.593 0.2 . 1 . . . . 21 GLU C . 15008 1 231 . 1 1 21 21 GLU CA C 13 57.427 0.2 . 1 . . . . 21 GLU CA . 15008 1 232 . 1 1 21 21 GLU CB C 13 27.723 0.2 . 1 . . . . 21 GLU CB . 15008 1 233 . 1 1 21 21 GLU CG C 13 33.937 0.2 . 1 . . . . 21 GLU CG . 15008 1 234 . 1 1 21 21 GLU N N 15 118.591 0.2 . 1 . . . . 21 GLU N . 15008 1 235 . 1 1 22 22 VAL H H 1 7.953 0.001 . 1 . . . . 22 VAL H . 15008 1 236 . 1 1 22 22 VAL HA H 1 3.532 0.001 . 1 . . . . 22 VAL HA . 15008 1 237 . 1 1 22 22 VAL HB H 1 1.69 0.001 . 1 . . . . 22 VAL HB . 15008 1 238 . 1 1 22 22 VAL HG11 H 1 0.331 0.001 . 1 . . . . 22 VAL HG1 . 15008 1 239 . 1 1 22 22 VAL HG12 H 1 0.331 0.001 . 1 . . . . 22 VAL HG1 . 15008 1 240 . 1 1 22 22 VAL HG13 H 1 0.331 0.001 . 1 . . . . 22 VAL HG1 . 15008 1 241 . 1 1 22 22 VAL HG21 H 1 0.856 0.001 . 1 . . . . 22 VAL HG2 . 15008 1 242 . 1 1 22 22 VAL HG22 H 1 0.856 0.001 . 1 . . . . 22 VAL HG2 . 15008 1 243 . 1 1 22 22 VAL HG23 H 1 0.856 0.001 . 1 . . . . 22 VAL HG2 . 15008 1 244 . 1 1 22 22 VAL C C 13 179.171 0.2 . 1 . . . . 22 VAL C . 15008 1 245 . 1 1 22 22 VAL CA C 13 63.868 0.2 . 1 . . . . 22 VAL CA . 15008 1 246 . 1 1 22 22 VAL CB C 13 29.949 0.2 . 1 . . . . 22 VAL CB . 15008 1 247 . 1 1 22 22 VAL CG1 C 13 17.708 0.2 . 2 . . . . 22 VAL CG1 . 15008 1 248 . 1 1 22 22 VAL CG2 C 13 20.782 0.2 . 2 . . . . 22 VAL CG2 . 15008 1 249 . 1 1 22 22 VAL N N 15 118.607 0.2 . 1 . . . . 22 VAL N . 15008 1 250 . 1 1 23 23 PHE H H 1 8.13 0.001 . 1 . . . . 23 PHE H . 15008 1 251 . 1 1 23 23 PHE HA H 1 4.597 0.001 . 1 . . . . 23 PHE HA . 15008 1 252 . 1 1 23 23 PHE HB2 H 1 2.848 0.001 . 2 . . . . 23 PHE HB1 . 15008 1 253 . 1 1 23 23 PHE HB3 H 1 3.071 0.001 . 2 . . . . 23 PHE HB2 . 15008 1 254 . 1 1 23 23 PHE C C 13 178.8 0.2 . 1 . . . . 23 PHE C . 15008 1 255 . 1 1 23 23 PHE CA C 13 58.87 0.2 . 1 . . . . 23 PHE CA . 15008 1 256 . 1 1 23 23 PHE CB C 13 35.49 0.2 . 1 . . . . 23 PHE CB . 15008 1 257 . 1 1 23 23 PHE N N 15 116.721 0.2 . 1 . . . . 23 PHE N . 15008 1 258 . 1 1 24 24 ASN H H 1 8.853 0.001 . 1 . . . . 24 ASN H . 15008 1 259 . 1 1 24 24 ASN HA H 1 4.87 0.001 . 1 . . . . 24 ASN HA . 15008 1 260 . 1 1 24 24 ASN HB2 H 1 2.96 0.001 . 2 . . . . 24 ASN HB1 . 15008 1 261 . 1 1 24 24 ASN HB3 H 1 2.739 0.001 . 2 . . . . 24 ASN HB2 . 15008 1 262 . 1 1 24 24 ASN HD21 H 1 6.822 0.001 . 2 . . . . 24 ASN HD21 . 15008 1 263 . 1 1 24 24 ASN HD22 H 1 7.794 0.001 . 2 . . . . 24 ASN HD22 . 15008 1 264 . 1 1 24 24 ASN C C 13 180.129 0.2 . 1 . . . . 24 ASN C . 15008 1 265 . 1 1 24 24 ASN CA C 13 54.835 0.2 . 1 . . . . 24 ASN CA . 15008 1 266 . 1 1 24 24 ASN CB C 13 37.003 0.2 . 1 . . . . 24 ASN CB . 15008 1 267 . 1 1 24 24 ASN N N 15 121.899 0.2 . 1 . . . . 24 ASN N . 15008 1 268 . 1 1 24 24 ASN ND2 N 15 114.41 0.2 . 1 . . . . 24 ASN ND2 . 15008 1 269 . 1 1 25 25 LYS H H 1 8.012 0.001 . 1 . . . . 25 LYS H . 15008 1 270 . 1 1 25 25 LYS HA H 1 4.046 0.001 . 1 . . . . 25 LYS HA . 15008 1 271 . 1 1 25 25 LYS HB2 H 1 1.953 0.001 . 2 . . . . 25 LYS HB1 . 15008 1 272 . 1 1 25 25 LYS HG2 H 1 1.587 0.001 . 2 . . . . 25 LYS HG1 . 15008 1 273 . 1 1 25 25 LYS HG3 H 1 1.46 0.001 . 2 . . . . 25 LYS HG2 . 15008 1 274 . 1 1 25 25 LYS HD2 H 1 1.648 0.001 . 2 . . . . 25 LYS HD1 . 15008 1 275 . 1 1 25 25 LYS HE2 H 1 2.926 0.001 . 2 . . . . 25 LYS HE1 . 15008 1 276 . 1 1 25 25 LYS C C 13 178.829 0.2 . 1 . . . . 25 LYS C . 15008 1 277 . 1 1 25 25 LYS CA C 13 57.091 0.2 . 1 . . . . 25 LYS CA . 15008 1 278 . 1 1 25 25 LYS CB C 13 30.272 0.2 . 1 . . . . 25 LYS CB . 15008 1 279 . 1 1 25 25 LYS CG C 13 23.315 0.2 . 1 . . . . 25 LYS CG . 15008 1 280 . 1 1 25 25 LYS CD C 13 27.068 0.2 . 1 . . . . 25 LYS CD . 15008 1 281 . 1 1 25 25 LYS CE C 13 40.113 0.2 . 1 . . . . 25 LYS CE . 15008 1 282 . 1 1 25 25 LYS N N 15 120.855 0.2 . 1 . . . . 25 LYS N . 15008 1 283 . 1 1 26 26 GLU H H 1 7.312 0.001 . 1 . . . . 26 GLU H . 15008 1 284 . 1 1 26 26 GLU HA H 1 4.181 0.001 . 1 . . . . 26 GLU HA . 15008 1 285 . 1 1 26 26 GLU HG2 H 1 2.22 0.001 . 2 . . . . 26 GLU HG1 . 15008 1 286 . 1 1 26 26 GLU HG3 H 1 2.591 0.001 . 2 . . . . 26 GLU HG2 . 15008 1 287 . 1 1 26 26 GLU C C 13 176.353 0.2 . 1 . . . . 26 GLU C . 15008 1 288 . 1 1 26 26 GLU CA C 13 54.358 0.2 . 1 . . . . 26 GLU CA . 15008 1 289 . 1 1 26 26 GLU CB C 13 28.637 0.2 . 1 . . . . 26 GLU CB . 15008 1 290 . 1 1 26 26 GLU CG C 13 33.761 0.2 . 1 . . . . 26 GLU CG . 15008 1 291 . 1 1 26 26 GLU N N 15 115.585 0.2 . 1 . . . . 26 GLU N . 15008 1 292 . 1 1 27 27 GLY H H 1 7.512 0.001 . 1 . . . . 27 GLY H . 15008 1 293 . 1 1 27 27 GLY HA2 H 1 3.586 0.001 . 2 . . . . 27 GLY HA1 . 15008 1 294 . 1 1 27 27 GLY HA3 H 1 4.211 0.001 . 2 . . . . 27 GLY HA2 . 15008 1 295 . 1 1 27 27 GLY C C 13 174.626 0.2 . 1 . . . . 27 GLY C . 15008 1 296 . 1 1 27 27 GLY CA C 13 42.541 0.2 . 1 . . . . 27 GLY CA . 15008 1 297 . 1 1 27 27 GLY N N 15 103.558 0.2 . 1 . . . . 27 GLY N . 15008 1 298 . 1 1 28 28 TYR H H 1 7.623 0.001 . 1 . . . . 28 TYR H . 15008 1 299 . 1 1 28 28 TYR HA H 1 4.43 0.001 . 1 . . . . 28 TYR HA . 15008 1 300 . 1 1 28 28 TYR HB2 H 1 2.352 0.001 . 2 . . . . 28 TYR HB1 . 15008 1 301 . 1 1 28 28 TYR HB3 H 1 2.819 0.001 . 2 . . . . 28 TYR HB2 . 15008 1 302 . 1 1 28 28 TYR C C 13 176.52 0.2 . 1 . . . . 28 TYR C . 15008 1 303 . 1 1 28 28 TYR CA C 13 56.555 0.2 . 1 . . . . 28 TYR CA . 15008 1 304 . 1 1 28 28 TYR CB C 13 36.839 0.2 . 1 . . . . 28 TYR CB . 15008 1 305 . 1 1 28 28 TYR N N 15 119.108 0.2 . 1 . . . . 28 TYR N . 15008 1 306 . 1 1 29 29 GLN H H 1 8.794 0.001 . 1 . . . . 29 GLN H . 15008 1 307 . 1 1 29 29 GLN HA H 1 4.458 0.001 . 1 . . . . 29 GLN HA . 15008 1 308 . 1 1 29 29 GLN HB2 H 1 1.952 0.001 . 2 . . . . 29 GLN HB1 . 15008 1 309 . 1 1 29 29 GLN HG2 H 1 2.309 0.001 . 2 . . . . 29 GLN HG1 . 15008 1 310 . 1 1 29 29 GLN HG3 H 1 2.288 0.001 . 2 . . . . 29 GLN HG2 . 15008 1 311 . 1 1 29 29 GLN HE21 H 1 6.873 0.001 . 2 . . . . 29 GLN HE21 . 15008 1 312 . 1 1 29 29 GLN HE22 H 1 7.455 0.001 . 2 . . . . 29 GLN HE22 . 15008 1 313 . 1 1 29 29 GLN C C 13 175.837 0.2 . 1 . . . . 29 GLN C . 15008 1 314 . 1 1 29 29 GLN CA C 13 53.519 0.2 . 1 . . . . 29 GLN CA . 15008 1 315 . 1 1 29 29 GLN CB C 13 27.787 0.2 . 1 . . . . 29 GLN CB . 15008 1 316 . 1 1 29 29 GLN CG C 13 32.004 0.2 . 1 . . . . 29 GLN CG . 15008 1 317 . 1 1 29 29 GLN N N 15 122.576 0.2 . 1 . . . . 29 GLN N . 15008 1 318 . 1 1 29 29 GLN NE2 N 15 112.168 0.2 . 1 . . . . 29 GLN NE2 . 15008 1 319 . 1 1 30 30 THR H H 1 8.032 0.001 . 1 . . . . 30 THR H . 15008 1 320 . 1 1 30 30 THR HA H 1 5.435 0.001 . 1 . . . . 30 THR HA . 15008 1 321 . 1 1 30 30 THR HB H 1 4.078 0.001 . 1 . . . . 30 THR HB . 15008 1 322 . 1 1 30 30 THR HG21 H 1 1.085 0.001 . 1 . . . . 30 THR HG2 . 15008 1 323 . 1 1 30 30 THR HG22 H 1 1.085 0.001 . 1 . . . . 30 THR HG2 . 15008 1 324 . 1 1 30 30 THR HG23 H 1 1.085 0.001 . 1 . . . . 30 THR HG2 . 15008 1 325 . 1 1 30 30 THR C C 13 174.147 0.2 . 1 . . . . 30 THR C . 15008 1 326 . 1 1 30 30 THR CA C 13 57.686 0.2 . 1 . . . . 30 THR CA . 15008 1 327 . 1 1 30 30 THR CB C 13 69.174 0.2 . 1 . . . . 30 THR CB . 15008 1 328 . 1 1 30 30 THR CG2 C 13 20.926 0.2 . 1 . . . . 30 THR CG2 . 15008 1 329 . 1 1 30 30 THR N N 15 115.713 0.2 . 1 . . . . 30 THR N . 15008 1 330 . 1 1 31 31 PHE H H 1 8.858 0.001 . 1 . . . . 31 PHE H . 15008 1 331 . 1 1 31 31 PHE HA H 1 4.784 0.001 . 1 . . . . 31 PHE HA . 15008 1 332 . 1 1 31 31 PHE HB2 H 1 2.523 0.001 . 2 . . . . 31 PHE HB1 . 15008 1 333 . 1 1 31 31 PHE HB3 H 1 3.145 0.001 . 2 . . . . 31 PHE HB2 . 15008 1 334 . 1 1 31 31 PHE HE1 H 1 7.096 0.001 . 3 . . . . 31 PHE HE1 . 15008 1 335 . 1 1 31 31 PHE C C 13 174.779 0.2 . 1 . . . . 31 PHE C . 15008 1 336 . 1 1 31 31 PHE CA C 13 54.188 0.2 . 1 . . . . 31 PHE CA . 15008 1 337 . 1 1 31 31 PHE CB C 13 42.373 0.2 . 1 . . . . 31 PHE CB . 15008 1 338 . 1 1 31 31 PHE N N 15 119.948 0.2 . 1 . . . . 31 PHE N . 15008 1 339 . 1 1 32 32 GLN H H 1 8.947 0.001 . 1 . . . . 32 GLN H . 15008 1 340 . 1 1 32 32 GLN HA H 1 5.345 0.001 . 1 . . . . 32 GLN HA . 15008 1 341 . 1 1 32 32 GLN HB2 H 1 1.904 0.001 . 2 . . . . 32 GLN HB1 . 15008 1 342 . 1 1 32 32 GLN HG2 H 1 2.286 0.001 . 2 . . . . 32 GLN HG1 . 15008 1 343 . 1 1 32 32 GLN HG3 H 1 1.983 0.001 . 2 . . . . 32 GLN HG2 . 15008 1 344 . 1 1 32 32 GLN HE21 H 1 6.61 0.001 . 2 . . . . 32 GLN HE21 . 15008 1 345 . 1 1 32 32 GLN HE22 H 1 7.261 0.001 . 2 . . . . 32 GLN HE22 . 15008 1 346 . 1 1 32 32 GLN C C 13 174.108 0.2 . 1 . . . . 32 GLN C . 15008 1 347 . 1 1 32 32 GLN CA C 13 52.637 0.2 . 1 . . . . 32 GLN CA . 15008 1 348 . 1 1 32 32 GLN CB C 13 32.245 0.2 . 1 . . . . 32 GLN CB . 15008 1 349 . 1 1 32 32 GLN N N 15 120.035 0.2 . 1 . . . . 32 GLN N . 15008 1 350 . 1 1 32 32 GLN NE2 N 15 111.019 0.2 . 1 . . . . 32 GLN NE2 . 15008 1 351 . 1 1 33 33 ALA H H 1 8.892 0.001 . 1 . . . . 33 ALA H . 15008 1 352 . 1 1 33 33 ALA HA H 1 4.639 0.001 . 1 . . . . 33 ALA HA . 15008 1 353 . 1 1 33 33 ALA HB1 H 1 1.373 0.001 . 1 . . . . 33 ALA HB . 15008 1 354 . 1 1 33 33 ALA HB2 H 1 1.373 0.001 . 1 . . . . 33 ALA HB . 15008 1 355 . 1 1 33 33 ALA HB3 H 1 1.373 0.001 . 1 . . . . 33 ALA HB . 15008 1 356 . 1 1 33 33 ALA C C 13 175.18 0.2 . 1 . . . . 33 ALA C . 15008 1 357 . 1 1 33 33 ALA CA C 13 48.877 0.2 . 1 . . . . 33 ALA CA . 15008 1 358 . 1 1 33 33 ALA CB C 13 21.698 0.2 . 1 . . . . 33 ALA CB . 15008 1 359 . 1 1 33 33 ALA N N 15 120.882 0.2 . 1 . . . . 33 ALA N . 15008 1 360 . 1 1 34 34 ALA H H 1 8.43 0.001 . 1 . . . . 34 ALA H . 15008 1 361 . 1 1 34 34 ALA HA H 1 4.613 0.001 . 1 . . . . 34 ALA HA . 15008 1 362 . 1 1 34 34 ALA HB1 H 1 1.411 0.001 . 1 . . . . 34 ALA HB . 15008 1 363 . 1 1 34 34 ALA HB2 H 1 1.411 0.001 . 1 . . . . 34 ALA HB . 15008 1 364 . 1 1 34 34 ALA HB3 H 1 1.411 0.001 . 1 . . . . 34 ALA HB . 15008 1 365 . 1 1 34 34 ALA C C 13 176.256 0.2 . 1 . . . . 34 ALA C . 15008 1 366 . 1 1 34 34 ALA CA C 13 49.26 0.2 . 1 . . . . 34 ALA CA . 15008 1 367 . 1 1 34 34 ALA CB C 13 19.119 0.2 . 1 . . . . 34 ALA CB . 15008 1 368 . 1 1 34 34 ALA N N 15 120.576 0.2 . 1 . . . . 34 ALA N . 15008 1 369 . 1 1 35 35 ASN H H 1 7.34 0.001 . 1 . . . . 35 ASN H . 15008 1 370 . 1 1 35 35 ASN HA H 1 4.591 0.001 . 1 . . . . 35 ASN HA . 15008 1 371 . 1 1 35 35 ASN HB2 H 1 2.917 0.001 . 2 . . . . 35 ASN HB1 . 15008 1 372 . 1 1 35 35 ASN HB3 H 1 2.99 0.001 . 2 . . . . 35 ASN HB2 . 15008 1 373 . 1 1 35 35 ASN HD21 H 1 6.961 0.001 . 2 . . . . 35 ASN HD21 . 15008 1 374 . 1 1 35 35 ASN HD22 H 1 7.715 0.001 . 2 . . . . 35 ASN HD22 . 15008 1 375 . 1 1 35 35 ASN C C 13 175.489 0.2 . 1 . . . . 35 ASN C . 15008 1 376 . 1 1 35 35 ASN CA C 13 49.902 0.2 . 1 . . . . 35 ASN CA . 15008 1 377 . 1 1 35 35 ASN CB C 13 38.434 0.2 . 1 . . . . 35 ASN CB . 15008 1 378 . 1 1 35 35 ASN N N 15 109.504 0.2 . 1 . . . . 35 ASN N . 15008 1 379 . 1 1 35 35 ASN ND2 N 15 115.34 0.2 . 1 . . . . 35 ASN ND2 . 15008 1 380 . 1 1 36 36 GLY H H 1 9.166 0.001 . 1 . . . . 36 GLY H . 15008 1 381 . 1 1 36 36 GLY HA2 H 1 3.535 0.001 . 2 . . . . 36 GLY HA1 . 15008 1 382 . 1 1 36 36 GLY HA3 H 1 3.743 0.001 . 2 . . . . 36 GLY HA2 . 15008 1 383 . 1 1 36 36 GLY C C 13 174.415 0.2 . 1 . . . . 36 GLY C . 15008 1 384 . 1 1 36 36 GLY CA C 13 46.353 0.2 . 1 . . . . 36 GLY CA . 15008 1 385 . 1 1 36 36 GLY N N 15 107.501 0.2 . 1 . . . . 36 GLY N . 15008 1 386 . 1 1 37 37 LEU H H 1 8.003 0.001 . 1 . . . . 37 LEU H . 15008 1 387 . 1 1 37 37 LEU HA H 1 4.025 0.001 . 1 . . . . 37 LEU HA . 15008 1 388 . 1 1 37 37 LEU HB2 H 1 1.548 0.001 . 2 . . . . 37 LEU HB1 . 15008 1 389 . 1 1 37 37 LEU HB3 H 1 1.727 0.001 . 2 . . . . 37 LEU HB2 . 15008 1 390 . 1 1 37 37 LEU HD11 H 1 0.814 0.001 . 1 . . . . 37 LEU HD1 . 15008 1 391 . 1 1 37 37 LEU HD12 H 1 0.814 0.001 . 1 . . . . 37 LEU HD1 . 15008 1 392 . 1 1 37 37 LEU HD13 H 1 0.814 0.001 . 1 . . . . 37 LEU HD1 . 15008 1 393 . 1 1 37 37 LEU C C 13 180.866 0.2 . 1 . . . . 37 LEU C . 15008 1 394 . 1 1 37 37 LEU CA C 13 56.236 0.2 . 1 . . . . 37 LEU CA . 15008 1 395 . 1 1 37 37 LEU CB C 13 39.042 0.2 . 1 . . . . 37 LEU CB . 15008 1 396 . 1 1 37 37 LEU CG C 13 25.139 0.2 . 1 . . . . 37 LEU CG . 15008 1 397 . 1 1 37 37 LEU CD1 C 13 22.735 0.2 . 2 . . . . 37 LEU CD1 . 15008 1 398 . 1 1 37 37 LEU CD2 C 13 20.849 0.2 . 2 . . . . 37 LEU CD2 . 15008 1 399 . 1 1 37 37 LEU N N 15 122.474 0.2 . 1 . . . . 37 LEU N . 15008 1 400 . 1 1 38 38 GLN H H 1 8.446 0.001 . 1 . . . . 38 GLN H . 15008 1 401 . 1 1 38 38 GLN HA H 1 4.128 0.001 . 1 . . . . 38 GLN HA . 15008 1 402 . 1 1 38 38 GLN HB2 H 1 2.072 0.001 . 2 . . . . 38 GLN HB1 . 15008 1 403 . 1 1 38 38 GLN HG2 H 1 2.699 0.001 . 2 . . . . 38 GLN HG1 . 15008 1 404 . 1 1 38 38 GLN HG3 H 1 2.408 0.001 . 2 . . . . 38 GLN HG2 . 15008 1 405 . 1 1 38 38 GLN HE21 H 1 6.924 0.001 . 2 . . . . 38 GLN HE21 . 15008 1 406 . 1 1 38 38 GLN HE22 H 1 7.575 0.001 . 2 . . . . 38 GLN HE22 . 15008 1 407 . 1 1 38 38 GLN C C 13 179.18 0.2 . 1 . . . . 38 GLN C . 15008 1 408 . 1 1 38 38 GLN CA C 13 56.25 0.2 . 1 . . . . 38 GLN CA . 15008 1 409 . 1 1 38 38 GLN CB C 13 27.345 0.2 . 1 . . . . 38 GLN CB . 15008 1 410 . 1 1 38 38 GLN CG C 13 31.412 0.2 . 1 . . . . 38 GLN CG . 15008 1 411 . 1 1 38 38 GLN N N 15 119.583 0.2 . 1 . . . . 38 GLN N . 15008 1 412 . 1 1 38 38 GLN NE2 N 15 111.724 0.2 . 1 . . . . 38 GLN NE2 . 15008 1 413 . 1 1 39 39 ALA H H 1 7.836 0.001 . 1 . . . . 39 ALA H . 15008 1 414 . 1 1 39 39 ALA HA H 1 3.704 0.001 . 1 . . . . 39 ALA HA . 15008 1 415 . 1 1 39 39 ALA HB1 H 1 1.325 0.001 . 1 . . . . 39 ALA HB . 15008 1 416 . 1 1 39 39 ALA HB2 H 1 1.325 0.001 . 1 . . . . 39 ALA HB . 15008 1 417 . 1 1 39 39 ALA HB3 H 1 1.325 0.001 . 1 . . . . 39 ALA HB . 15008 1 418 . 1 1 39 39 ALA C C 13 178.944 0.2 . 1 . . . . 39 ALA C . 15008 1 419 . 1 1 39 39 ALA CA C 13 53.251 0.2 . 1 . . . . 39 ALA CA . 15008 1 420 . 1 1 39 39 ALA CB C 13 17.265 0.2 . 1 . . . . 39 ALA CB . 15008 1 421 . 1 1 39 39 ALA N N 15 119.662 0.2 . 1 . . . . 39 ALA N . 15008 1 422 . 1 1 40 40 LEU H H 1 8.045 0.001 . 1 . . . . 40 LEU H . 15008 1 423 . 1 1 40 40 LEU HA H 1 3.751 0.001 . 1 . . . . 40 LEU HA . 15008 1 424 . 1 1 40 40 LEU HB2 H 1 1.383 0.001 . 2 . . . . 40 LEU HB2 . 15008 1 425 . 1 1 40 40 LEU HG H 1 1.897 0.001 . 1 . . . . 40 LEU HG . 15008 1 426 . 1 1 40 40 LEU HD11 H 1 0.814 0.001 . 1 . . . . 40 LEU HD1 . 15008 1 427 . 1 1 40 40 LEU HD12 H 1 0.814 0.001 . 1 . . . . 40 LEU HD1 . 15008 1 428 . 1 1 40 40 LEU HD13 H 1 0.814 0.001 . 1 . . . . 40 LEU HD1 . 15008 1 429 . 1 1 40 40 LEU HD21 H 1 0.723 0.001 . 1 . . . . 40 LEU HD2 . 15008 1 430 . 1 1 40 40 LEU HD22 H 1 0.723 0.001 . 1 . . . . 40 LEU HD2 . 15008 1 431 . 1 1 40 40 LEU HD23 H 1 0.723 0.001 . 1 . . . . 40 LEU HD2 . 15008 1 432 . 1 1 40 40 LEU C C 13 179.786 0.2 . 1 . . . . 40 LEU C . 15008 1 433 . 1 1 40 40 LEU CA C 13 55.8 0.2 . 1 . . . . 40 LEU CA . 15008 1 434 . 1 1 40 40 LEU CB C 13 38.966 0.2 . 1 . . . . 40 LEU CB . 15008 1 435 . 1 1 40 40 LEU CD1 C 13 21.022 0.2 . 2 . . . . 40 LEU CD1 . 15008 1 436 . 1 1 40 40 LEU CD2 C 13 23.917 0.2 . 2 . . . . 40 LEU CD2 . 15008 1 437 . 1 1 40 40 LEU N N 15 116.863 0.2 . 1 . . . . 40 LEU N . 15008 1 438 . 1 1 41 41 ASP H H 1 7.724 0.001 . 1 . . . . 41 ASP H . 15008 1 439 . 1 1 41 41 ASP HA H 1 4.366 0.001 . 1 . . . . 41 ASP HA . 15008 1 440 . 1 1 41 41 ASP HB2 H 1 2.742 0.001 . 2 . . . . 41 ASP HB1 . 15008 1 441 . 1 1 41 41 ASP C C 13 178.746 0.2 . 1 . . . . 41 ASP C . 15008 1 442 . 1 1 41 41 ASP CA C 13 55.708 0.2 . 1 . . . . 41 ASP CA . 15008 1 443 . 1 1 41 41 ASP CB C 13 39.078 0.2 . 1 . . . . 41 ASP CB . 15008 1 444 . 1 1 41 41 ASP N N 15 121.946 0.2 . 1 . . . . 41 ASP N . 15008 1 445 . 1 1 42 42 ILE H H 1 7.884 0.001 . 1 . . . . 42 ILE H . 15008 1 446 . 1 1 42 42 ILE HA H 1 3.577 0.001 . 1 . . . . 42 ILE HA . 15008 1 447 . 1 1 42 42 ILE HB H 1 1.74 0.001 . 1 . . . . 42 ILE HB . 15008 1 448 . 1 1 42 42 ILE HG12 H 1 1.157 0.001 . 2 . . . . 42 ILE HG11 . 15008 1 449 . 1 1 42 42 ILE HG13 H 1 1.409 0.001 . 2 . . . . 42 ILE HG12 . 15008 1 450 . 1 1 42 42 ILE HG21 H 1 0.438 0.001 . 1 . . . . 42 ILE HG2 . 15008 1 451 . 1 1 42 42 ILE HG22 H 1 0.438 0.001 . 1 . . . . 42 ILE HG2 . 15008 1 452 . 1 1 42 42 ILE HG23 H 1 0.438 0.001 . 1 . . . . 42 ILE HG2 . 15008 1 453 . 1 1 42 42 ILE HD11 H 1 0.83 0.001 . 1 . . . . 42 ILE HD1 . 15008 1 454 . 1 1 42 42 ILE HD12 H 1 0.83 0.001 . 1 . . . . 42 ILE HD1 . 15008 1 455 . 1 1 42 42 ILE HD13 H 1 0.83 0.001 . 1 . . . . 42 ILE HD1 . 15008 1 456 . 1 1 42 42 ILE C C 13 178.931 0.2 . 1 . . . . 42 ILE C . 15008 1 457 . 1 1 42 42 ILE CA C 13 62.883 0.2 . 1 . . . . 42 ILE CA . 15008 1 458 . 1 1 42 42 ILE CB C 13 35.4 0.2 . 1 . . . . 42 ILE CB . 15008 1 459 . 1 1 42 42 ILE CG1 C 13 26.61 0.2 . 1 . . . . 42 ILE CG1 . 15008 1 460 . 1 1 42 42 ILE CG2 C 13 15.963 0.2 . 1 . . . . 42 ILE CG2 . 15008 1 461 . 1 1 42 42 ILE CD1 C 13 12.099 0.2 . 1 . . . . 42 ILE CD1 . 15008 1 462 . 1 1 42 42 ILE N N 15 119.605 0.2 . 1 . . . . 42 ILE N . 15008 1 463 . 1 1 43 43 VAL H H 1 8.559 0.001 . 1 . . . . 43 VAL H . 15008 1 464 . 1 1 43 43 VAL HA H 1 3.253 0.001 . 1 . . . . 43 VAL HA . 15008 1 465 . 1 1 43 43 VAL HB H 1 2.031 0.001 . 1 . . . . 43 VAL HB . 15008 1 466 . 1 1 43 43 VAL HG11 H 1 0.874 0.001 . 1 . . . . 43 VAL HG1 . 15008 1 467 . 1 1 43 43 VAL HG12 H 1 0.874 0.001 . 1 . . . . 43 VAL HG1 . 15008 1 468 . 1 1 43 43 VAL HG13 H 1 0.874 0.001 . 1 . . . . 43 VAL HG1 . 15008 1 469 . 1 1 43 43 VAL C C 13 178.118 0.2 . 1 . . . . 43 VAL C . 15008 1 470 . 1 1 43 43 VAL CA C 13 65.229 0.2 . 1 . . . . 43 VAL CA . 15008 1 471 . 1 1 43 43 VAL CB C 13 29.158 0.2 . 1 . . . . 43 VAL CB . 15008 1 472 . 1 1 43 43 VAL CG1 C 13 22.083 0.2 . 2 . . . . 43 VAL CG1 . 15008 1 473 . 1 1 43 43 VAL CG2 C 13 19.518 0.2 . 2 . . . . 43 VAL CG2 . 15008 1 474 . 1 1 43 43 VAL N N 15 121.379 0.2 . 1 . . . . 43 VAL N . 15008 1 475 . 1 1 44 44 THR H H 1 7.92 0.001 . 1 . . . . 44 THR H . 15008 1 476 . 1 1 44 44 THR HA H 1 3.64 0.001 . 1 . . . . 44 THR HA . 15008 1 477 . 1 1 44 44 THR HB H 1 4.283 0.001 . 1 . . . . 44 THR HB . 15008 1 478 . 1 1 44 44 THR HG21 H 1 1.153 0.001 . 1 . . . . 44 THR HG2 . 15008 1 479 . 1 1 44 44 THR HG22 H 1 1.153 0.001 . 1 . . . . 44 THR HG2 . 15008 1 480 . 1 1 44 44 THR HG23 H 1 1.153 0.001 . 1 . . . . 44 THR HG2 . 15008 1 481 . 1 1 44 44 THR C C 13 176.106 0.2 . 1 . . . . 44 THR C . 15008 1 482 . 1 1 44 44 THR CA C 13 64.642 0.2 . 1 . . . . 44 THR CA . 15008 1 483 . 1 1 44 44 THR CB C 13 67.061 0.2 . 1 . . . . 44 THR CB . 15008 1 484 . 1 1 44 44 THR CG2 C 13 18.889 0.2 . 1 . . . . 44 THR CG2 . 15008 1 485 . 1 1 44 44 THR N N 15 113.867 0.2 . 1 . . . . 44 THR N . 15008 1 486 . 1 1 45 45 LYS H H 1 7.802 0.001 . 1 . . . . 45 LYS H . 15008 1 487 . 1 1 45 45 LYS HA H 1 4.043 0.001 . 1 . . . . 45 LYS HA . 15008 1 488 . 1 1 45 45 LYS HB2 H 1 1.706 0.001 . 2 . . . . 45 LYS HB1 . 15008 1 489 . 1 1 45 45 LYS HG2 H 1 1.416 0.001 . 2 . . . . 45 LYS HG1 . 15008 1 490 . 1 1 45 45 LYS HG3 H 1 1.247 0.001 . 2 . . . . 45 LYS HG2 . 15008 1 491 . 1 1 45 45 LYS HD2 H 1 1.565 0.001 . 2 . . . . 45 LYS HD1 . 15008 1 492 . 1 1 45 45 LYS HE2 H 1 2.918 0.001 . 2 . . . . 45 LYS HE1 . 15008 1 493 . 1 1 45 45 LYS C C 13 178.574 0.2 . 1 . . . . 45 LYS C . 15008 1 494 . 1 1 45 45 LYS CA C 13 56.963 0.2 . 1 . . . . 45 LYS CA . 15008 1 495 . 1 1 45 45 LYS CB C 13 32.779 0.2 . 1 . . . . 45 LYS CB . 15008 1 496 . 1 1 45 45 LYS CG C 13 23.286 0.2 . 1 . . . . 45 LYS CG . 15008 1 497 . 1 1 45 45 LYS CD C 13 26.877 0.2 . 1 . . . . 45 LYS CD . 15008 1 498 . 1 1 45 45 LYS CE C 13 40.164 0.2 . 1 . . . . 45 LYS CE . 15008 1 499 . 1 1 45 45 LYS N N 15 118.767 0.2 . 1 . . . . 45 LYS N . 15008 1 500 . 1 1 46 46 GLU H H 1 8.719 0.001 . 1 . . . . 46 GLU H . 15008 1 501 . 1 1 46 46 GLU HA H 1 4.325 0.001 . 1 . . . . 46 GLU HA . 15008 1 502 . 1 1 46 46 GLU HB2 H 1 1.338 0.001 . 2 . . . . 46 GLU HB1 . 15008 1 503 . 1 1 46 46 GLU HG2 H 1 2.24 0.001 . 2 . . . . 46 GLU HG1 . 15008 1 504 . 1 1 46 46 GLU HG3 H 1 1.753 0.001 . 2 . . . . 46 GLU HG2 . 15008 1 505 . 1 1 46 46 GLU C C 13 176.907 0.2 . 1 . . . . 46 GLU C . 15008 1 506 . 1 1 46 46 GLU CA C 13 53.123 0.2 . 1 . . . . 46 GLU CA . 15008 1 507 . 1 1 46 46 GLU CB C 13 27.896 0.2 . 1 . . . . 46 GLU CB . 15008 1 508 . 1 1 46 46 GLU CG C 13 32.086 0.2 . 1 . . . . 46 GLU CG . 15008 1 509 . 1 1 46 46 GLU N N 15 114.428 0.2 . 1 . . . . 46 GLU N . 15008 1 510 . 1 1 47 47 ARG H H 1 7.602 0.001 . 1 . . . . 47 ARG H . 15008 1 511 . 1 1 47 47 ARG C C 13 174.193 0.2 . 1 . . . . 47 ARG C . 15008 1 512 . 1 1 47 47 ARG CA C 13 53.216 0.2 . 1 . . . . 47 ARG CA . 15008 1 513 . 1 1 47 47 ARG CB C 13 25.361 0.2 . 1 . . . . 47 ARG CB . 15008 1 514 . 1 1 47 47 ARG N N 15 112.829 0.2 . 1 . . . . 47 ARG N . 15008 1 515 . 1 1 48 48 PRO HA H 1 4.139 0.001 . 1 . . . . 48 PRO HA . 15008 1 516 . 1 1 48 48 PRO HB2 H 1 1.778 0.001 . 2 . . . . 48 PRO HB1 . 15008 1 517 . 1 1 48 48 PRO HB3 H 1 1.597 0.001 . 2 . . . . 48 PRO HB2 . 15008 1 518 . 1 1 48 48 PRO HG2 H 1 1.453 0.001 . 2 . . . . 48 PRO HG1 . 15008 1 519 . 1 1 48 48 PRO HD2 H 1 3.642 0.001 . 2 . . . . 48 PRO HD1 . 15008 1 520 . 1 1 48 48 PRO HD3 H 1 3.376 0.001 . 2 . . . . 48 PRO HD2 . 15008 1 521 . 1 1 48 48 PRO C C 13 174.485 0.2 . 1 . . . . 48 PRO C . 15008 1 522 . 1 1 48 48 PRO CA C 13 60.448 0.2 . 1 . . . . 48 PRO CA . 15008 1 523 . 1 1 48 48 PRO CB C 13 29.184 0.2 . 1 . . . . 48 PRO CB . 15008 1 524 . 1 1 48 48 PRO CG C 13 25.223 0.2 . 1 . . . . 48 PRO CG . 15008 1 525 . 1 1 48 48 PRO CD C 13 48.845 0.2 . 1 . . . . 48 PRO CD . 15008 1 526 . 1 1 49 49 ASP H H 1 8.193 0.001 . 1 . . . . 49 ASP H . 15008 1 527 . 1 1 49 49 ASP HA H 1 4.44 0.001 . 1 . . . . 49 ASP HA . 15008 1 528 . 1 1 49 49 ASP HB2 H 1 2.636 0.001 . 2 . . . . 49 ASP HB1 . 15008 1 529 . 1 1 49 49 ASP HB3 H 1 2.694 0.001 . 2 . . . . 49 ASP HB2 . 15008 1 530 . 1 1 49 49 ASP C C 13 176.103 0.2 . 1 . . . . 49 ASP C . 15008 1 531 . 1 1 49 49 ASP CA C 13 54.57 0.2 . 1 . . . . 49 ASP CA . 15008 1 532 . 1 1 49 49 ASP CB C 13 42.086 0.2 . 1 . . . . 49 ASP CB . 15008 1 533 . 1 1 49 49 ASP N N 15 119.207 0.2 . 1 . . . . 49 ASP N . 15008 1 534 . 1 1 50 50 LEU H H 1 7.646 0.001 . 1 . . . . 50 LEU H . 15008 1 535 . 1 1 50 50 LEU HA H 1 5.069 0.001 . 1 . . . . 50 LEU HA . 15008 1 536 . 1 1 50 50 LEU HB2 H 1 1.279 0.001 . 2 . . . . 50 LEU HB1 . 15008 1 537 . 1 1 50 50 LEU HD11 H 1 0.614 0.001 . 1 . . . . 50 LEU HD1 . 15008 1 538 . 1 1 50 50 LEU HD12 H 1 0.614 0.001 . 1 . . . . 50 LEU HD1 . 15008 1 539 . 1 1 50 50 LEU HD13 H 1 0.614 0.001 . 1 . . . . 50 LEU HD1 . 15008 1 540 . 1 1 50 50 LEU HD21 H 1 0.476 0.001 . 1 . . . . 50 LEU HD2 . 15008 1 541 . 1 1 50 50 LEU HD22 H 1 0.476 0.001 . 1 . . . . 50 LEU HD2 . 15008 1 542 . 1 1 50 50 LEU HD23 H 1 0.476 0.001 . 1 . . . . 50 LEU HD2 . 15008 1 543 . 1 1 50 50 LEU C C 13 173.939 0.2 . 1 . . . . 50 LEU C . 15008 1 544 . 1 1 50 50 LEU CA C 13 51.876 0.2 . 1 . . . . 50 LEU CA . 15008 1 545 . 1 1 50 50 LEU CB C 13 45.149 0.2 . 1 . . . . 50 LEU CB . 15008 1 546 . 1 1 50 50 LEU CD1 C 13 22.678 0.2 . 2 . . . . 50 LEU CD1 . 15008 1 547 . 1 1 50 50 LEU CD2 C 13 25.157 0.2 . 2 . . . . 50 LEU CD2 . 15008 1 548 . 1 1 50 50 LEU N N 15 118.085 0.2 . 1 . . . . 50 LEU N . 15008 1 549 . 1 1 51 51 VAL H H 1 8.845 0.001 . 1 . . . . 51 VAL H . 15008 1 550 . 1 1 51 51 VAL HA H 1 5.015 0.001 . 1 . . . . 51 VAL HA . 15008 1 551 . 1 1 51 51 VAL HB H 1 1.886 0.001 . 1 . . . . 51 VAL HB . 15008 1 552 . 1 1 51 51 VAL HG11 H 1 0.811 0.001 . 1 . . . . 51 VAL HG1 . 15008 1 553 . 1 1 51 51 VAL HG12 H 1 0.811 0.001 . 1 . . . . 51 VAL HG1 . 15008 1 554 . 1 1 51 51 VAL HG13 H 1 0.811 0.001 . 1 . . . . 51 VAL HG1 . 15008 1 555 . 1 1 51 51 VAL HG21 H 1 0.718 0.001 . 1 . . . . 51 VAL HG2 . 15008 1 556 . 1 1 51 51 VAL HG22 H 1 0.718 0.001 . 1 . . . . 51 VAL HG2 . 15008 1 557 . 1 1 51 51 VAL HG23 H 1 0.718 0.001 . 1 . . . . 51 VAL HG2 . 15008 1 558 . 1 1 51 51 VAL C C 13 174.269 0.2 . 1 . . . . 51 VAL C . 15008 1 559 . 1 1 51 51 VAL CA C 13 57.713 0.2 . 1 . . . . 51 VAL CA . 15008 1 560 . 1 1 51 51 VAL CB C 13 33.657 0.2 . 1 . . . . 51 VAL CB . 15008 1 561 . 1 1 51 51 VAL CG1 C 13 19.51 0.2 . 2 . . . . 51 VAL CG1 . 15008 1 562 . 1 1 51 51 VAL N N 15 125.628 0.2 . 1 . . . . 51 VAL N . 15008 1 563 . 1 1 52 52 LEU H H 1 8.956 0.001 . 1 . . . . 52 LEU H . 15008 1 564 . 1 1 52 52 LEU HA H 1 5.122 0.001 . 1 . . . . 52 LEU HA . 15008 1 565 . 1 1 52 52 LEU HB2 H 1 1.522 0.001 . 2 . . . . 52 LEU HB1 . 15008 1 566 . 1 1 52 52 LEU HG H 1 1.366 0.001 . 1 . . . . 52 LEU HG . 15008 1 567 . 1 1 52 52 LEU HD11 H 1 0.662 0.001 . 1 . . . . 52 LEU HD1 . 15008 1 568 . 1 1 52 52 LEU HD12 H 1 0.662 0.001 . 1 . . . . 52 LEU HD1 . 15008 1 569 . 1 1 52 52 LEU HD13 H 1 0.662 0.001 . 1 . . . . 52 LEU HD1 . 15008 1 570 . 1 1 52 52 LEU C C 13 174.683 0.2 . 1 . . . . 52 LEU C . 15008 1 571 . 1 1 52 52 LEU CA C 13 51.714 0.2 . 1 . . . . 52 LEU CA . 15008 1 572 . 1 1 52 52 LEU CB C 13 40.699 0.2 . 1 . . . . 52 LEU CB . 15008 1 573 . 1 1 52 52 LEU CG C 13 26.349 0.2 . 1 . . . . 52 LEU CG . 15008 1 574 . 1 1 52 52 LEU CD1 C 13 23.342 0.2 . 2 . . . . 52 LEU CD1 . 15008 1 575 . 1 1 52 52 LEU N N 15 128.875 0.2 . 1 . . . . 52 LEU N . 15008 1 576 . 1 1 53 53 LEU H H 1 8.768 0.001 . 1 . . . . 53 LEU H . 15008 1 577 . 1 1 53 53 LEU HA H 1 4.75 0.001 . 1 . . . . 53 LEU HA . 15008 1 578 . 1 1 53 53 LEU HB2 H 1 1.754 0.001 . 2 . . . . 53 LEU HB1 . 15008 1 579 . 1 1 53 53 LEU HB3 H 1 2.134 0.001 . 2 . . . . 53 LEU HB2 . 15008 1 580 . 1 1 53 53 LEU HG H 1 1.369 0.001 . 1 . . . . 53 LEU HG . 15008 1 581 . 1 1 53 53 LEU HD21 H 1 0.713 0.001 . 1 . . . . 53 LEU HD2 . 15008 1 582 . 1 1 53 53 LEU HD22 H 1 0.713 0.001 . 1 . . . . 53 LEU HD2 . 15008 1 583 . 1 1 53 53 LEU HD23 H 1 0.713 0.001 . 1 . . . . 53 LEU HD2 . 15008 1 584 . 1 1 53 53 LEU C C 13 174.364 0.2 . 1 . . . . 53 LEU C . 15008 1 585 . 1 1 53 53 LEU CA C 13 51.69 0.2 . 1 . . . . 53 LEU CA . 15008 1 586 . 1 1 53 53 LEU CB C 13 45.121 0.2 . 1 . . . . 53 LEU CB . 15008 1 587 . 1 1 53 53 LEU CD1 C 13 21.452 0.2 . 2 . . . . 53 LEU CD1 . 15008 1 588 . 1 1 53 53 LEU CD2 C 13 24.566 0.2 . 2 . . . . 53 LEU CD2 . 15008 1 589 . 1 1 53 53 LEU N N 15 126.154 0.2 . 1 . . . . 53 LEU N . 15008 1 590 . 1 1 54 54 ASP H H 1 8.305 0.001 . 1 . . . . 54 ASP H . 15008 1 591 . 1 1 54 54 ASP HA H 1 4.914 0.001 . 1 . . . . 54 ASP HA . 15008 1 592 . 1 1 54 54 ASP HB2 H 1 3.056 0.001 . 2 . . . . 54 ASP HB1 . 15008 1 593 . 1 1 54 54 ASP HB3 H 1 2.74 0.001 . 2 . . . . 54 ASP HB2 . 15008 1 594 . 1 1 54 54 ASP C C 13 176.382 0.2 . 1 . . . . 54 ASP C . 15008 1 595 . 1 1 54 54 ASP CA C 13 52.716 0.2 . 1 . . . . 54 ASP CA . 15008 1 596 . 1 1 54 54 ASP CB C 13 41.468 0.2 . 1 . . . . 54 ASP CB . 15008 1 597 . 1 1 54 54 ASP N N 15 128.852 0.2 . 1 . . . . 54 ASP N . 15008 1 598 . 1 1 55 55 MET H H 1 8.126 0.001 . 1 . . . . 55 MET H . 15008 1 599 . 1 1 55 55 MET HA H 1 4.558 0.001 . 1 . . . . 55 MET HA . 15008 1 600 . 1 1 55 55 MET HB2 H 1 2.334 0.001 . 2 . . . . 55 MET HB1 . 15008 1 601 . 1 1 55 55 MET HG2 H 1 2.463 0.001 . 2 . . . . 55 MET HG1 . 15008 1 602 . 1 1 55 55 MET HG3 H 1 2.697 0.001 . 2 . . . . 55 MET HG2 . 15008 1 603 . 1 1 55 55 MET C C 13 178.175 0.2 . 1 . . . . 55 MET C . 15008 1 604 . 1 1 55 55 MET CA C 13 53.142 0.2 . 1 . . . . 55 MET CA . 15008 1 605 . 1 1 55 55 MET CB C 13 30.691 0.2 . 1 . . . . 55 MET CB . 15008 1 606 . 1 1 55 55 MET CG C 13 32.385 0.2 . 1 . . . . 55 MET CG . 15008 1 607 . 1 1 55 55 MET N N 15 121.06 0.2 . 1 . . . . 55 MET N . 15008 1 608 . 1 1 56 56 LYS H H 1 8.698 0.001 . 1 . . . . 56 LYS H . 15008 1 609 . 1 1 56 56 LYS HA H 1 4.594 0.001 . 1 . . . . 56 LYS HA . 15008 1 610 . 1 1 56 56 LYS HB2 H 1 1.764 0.001 . 2 . . . . 56 LYS HB1 . 15008 1 611 . 1 1 56 56 LYS HB3 H 1 2.067 0.001 . 2 . . . . 56 LYS HB2 . 15008 1 612 . 1 1 56 56 LYS HG2 H 1 1.54 0.001 . 2 . . . . 56 LYS HG1 . 15008 1 613 . 1 1 56 56 LYS HG3 H 1 1.363 0.001 . 2 . . . . 56 LYS HG2 . 15008 1 614 . 1 1 56 56 LYS HD2 H 1 1.662 0.001 . 2 . . . . 56 LYS HD1 . 15008 1 615 . 1 1 56 56 LYS HE2 H 1 2.973 0.001 . 2 . . . . 56 LYS HE1 . 15008 1 616 . 1 1 56 56 LYS C C 13 176.551 0.2 . 1 . . . . 56 LYS C . 15008 1 617 . 1 1 56 56 LYS CA C 13 51.929 0.2 . 1 . . . . 56 LYS CA . 15008 1 618 . 1 1 56 56 LYS CB C 13 28.973 0.2 . 1 . . . . 56 LYS CB . 15008 1 619 . 1 1 56 56 LYS CG C 13 22.187 0.2 . 1 . . . . 56 LYS CG . 15008 1 620 . 1 1 56 56 LYS CD C 13 25.852 0.2 . 1 . . . . 56 LYS CD . 15008 1 621 . 1 1 56 56 LYS CE C 13 39.546 0.2 . 1 . . . . 56 LYS CE . 15008 1 622 . 1 1 56 56 LYS N N 15 120.926 0.2 . 1 . . . . 56 LYS N . 15008 1 623 . 1 1 57 57 ILE H H 1 7.351 0.001 . 1 . . . . 57 ILE H . 15008 1 624 . 1 1 57 57 ILE C C 13 174.583 0.2 . 1 . . . . 57 ILE C . 15008 1 625 . 1 1 57 57 ILE CA C 13 56.947 0.2 . 1 . . . . 57 ILE CA . 15008 1 626 . 1 1 57 57 ILE CB C 13 37.24 0.2 . 1 . . . . 57 ILE CB . 15008 1 627 . 1 1 57 57 ILE N N 15 124.363 0.2 . 1 . . . . 57 ILE N . 15008 1 628 . 1 1 58 58 PRO HA H 1 4.365 0.001 . 1 . . . . 58 PRO HA . 15008 1 629 . 1 1 58 58 PRO HB2 H 1 2.304 0.001 . 2 . . . . 58 PRO HB1 . 15008 1 630 . 1 1 58 58 PRO HB3 H 1 1.911 0.001 . 2 . . . . 58 PRO HB2 . 15008 1 631 . 1 1 58 58 PRO HG2 H 1 2.146 0.001 . 2 . . . . 58 PRO HG1 . 15008 1 632 . 1 1 58 58 PRO HG3 H 1 2.014 0.001 . 2 . . . . 58 PRO HG2 . 15008 1 633 . 1 1 58 58 PRO HD2 H 1 3.994 0.001 . 2 . . . . 58 PRO HD1 . 15008 1 634 . 1 1 58 58 PRO HD3 H 1 3.66 0.001 . 2 . . . . 58 PRO HD2 . 15008 1 635 . 1 1 58 58 PRO C C 13 178.363 0.2 . 1 . . . . 58 PRO C . 15008 1 636 . 1 1 58 58 PRO CA C 13 61.632 0.2 . 1 . . . . 58 PRO CA . 15008 1 637 . 1 1 58 58 PRO CB C 13 30.277 0.2 . 1 . . . . 58 PRO CB . 15008 1 638 . 1 1 58 58 PRO CG C 13 25.781 0.2 . 1 . . . . 58 PRO CG . 15008 1 639 . 1 1 58 58 PRO CD C 13 49.588 0.2 . 1 . . . . 58 PRO CD . 15008 1 640 . 1 1 59 59 GLY H H 1 8.73 0.001 . 1 . . . . 59 GLY H . 15008 1 641 . 1 1 59 59 GLY HA2 H 1 4.247 0.001 . 2 . . . . 59 GLY HA1 . 15008 1 642 . 1 1 59 59 GLY HA3 H 1 3.592 0.001 . 2 . . . . 59 GLY HA2 . 15008 1 643 . 1 1 59 59 GLY C C 13 174.069 0.2 . 1 . . . . 59 GLY C . 15008 1 644 . 1 1 59 59 GLY CA C 13 43.745 0.2 . 1 . . . . 59 GLY CA . 15008 1 645 . 1 1 59 59 GLY N N 15 111.853 0.2 . 1 . . . . 59 GLY N . 15008 1 646 . 1 1 60 60 MET H H 1 7.694 0.001 . 1 . . . . 60 MET H . 15008 1 647 . 1 1 60 60 MET HA H 1 4.816 0.001 . 1 . . . . 60 MET HA . 15008 1 648 . 1 1 60 60 MET HG2 H 1 2.981 0.001 . 2 . . . . 60 MET HG1 . 15008 1 649 . 1 1 60 60 MET HG3 H 1 2.536 0.001 . 2 . . . . 60 MET HG2 . 15008 1 650 . 1 1 60 60 MET C C 13 174.221 0.2 . 1 . . . . 60 MET C . 15008 1 651 . 1 1 60 60 MET CA C 13 53.519 0.2 . 1 . . . . 60 MET CA . 15008 1 652 . 1 1 60 60 MET CB C 13 33.625 0.2 . 1 . . . . 60 MET CB . 15008 1 653 . 1 1 60 60 MET CG C 13 30.215 0.2 . 1 . . . . 60 MET CG . 15008 1 654 . 1 1 60 60 MET N N 15 122.427 0.2 . 1 . . . . 60 MET N . 15008 1 655 . 1 1 61 61 ASP H H 1 8.521 0.001 . 1 . . . . 61 ASP H . 15008 1 656 . 1 1 61 61 ASP HA H 1 4.637 0.001 . 1 . . . . 61 ASP HA . 15008 1 657 . 1 1 61 61 ASP HB2 H 1 2.675 0.001 . 2 . . . . 61 ASP HB1 . 15008 1 658 . 1 1 61 61 ASP HB3 H 1 2.816 0.001 . 2 . . . . 61 ASP HB2 . 15008 1 659 . 1 1 61 61 ASP C C 13 177.395 0.2 . 1 . . . . 61 ASP C . 15008 1 660 . 1 1 61 61 ASP CA C 13 51.677 0.2 . 1 . . . . 61 ASP CA . 15008 1 661 . 1 1 61 61 ASP CB C 13 39.635 0.2 . 1 . . . . 61 ASP CB . 15008 1 662 . 1 1 61 61 ASP N N 15 125.282 0.2 . 1 . . . . 61 ASP N . 15008 1 663 . 1 1 62 62 GLY H H 1 8.874 0.001 . 1 . . . . 62 GLY H . 15008 1 664 . 1 1 62 62 GLY HA2 H 1 3.595 0.001 . 2 . . . . 62 GLY HA1 . 15008 1 665 . 1 1 62 62 GLY HA3 H 1 4.081 0.001 . 2 . . . . 62 GLY HA2 . 15008 1 666 . 1 1 62 62 GLY C C 13 175.375 0.2 . 1 . . . . 62 GLY C . 15008 1 667 . 1 1 62 62 GLY CA C 13 46.457 0.2 . 1 . . . . 62 GLY CA . 15008 1 668 . 1 1 62 62 GLY N N 15 111.738 0.2 . 1 . . . . 62 GLY N . 15008 1 669 . 1 1 63 63 ILE H H 1 8.075 0.001 . 1 . . . . 63 ILE H . 15008 1 670 . 1 1 63 63 ILE HA H 1 3.692 0.001 . 1 . . . . 63 ILE HA . 15008 1 671 . 1 1 63 63 ILE HB H 1 2.1 0.001 . 1 . . . . 63 ILE HB . 15008 1 672 . 1 1 63 63 ILE HG12 H 1 1.481 0.001 . 2 . . . . 63 ILE HG11 . 15008 1 673 . 1 1 63 63 ILE HG13 H 1 1.342 0.001 . 2 . . . . 63 ILE HG12 . 15008 1 674 . 1 1 63 63 ILE HG21 H 1 0.798 0.001 . 1 . . . . 63 ILE HG2 . 15008 1 675 . 1 1 63 63 ILE HG22 H 1 0.798 0.001 . 1 . . . . 63 ILE HG2 . 15008 1 676 . 1 1 63 63 ILE HG23 H 1 0.798 0.001 . 1 . . . . 63 ILE HG2 . 15008 1 677 . 1 1 63 63 ILE HD11 H 1 0.683 0.001 . 1 . . . . 63 ILE HD1 . 15008 1 678 . 1 1 63 63 ILE HD12 H 1 0.683 0.001 . 1 . . . . 63 ILE HD1 . 15008 1 679 . 1 1 63 63 ILE HD13 H 1 0.683 0.001 . 1 . . . . 63 ILE HD1 . 15008 1 680 . 1 1 63 63 ILE C C 13 177.817 0.2 . 1 . . . . 63 ILE C . 15008 1 681 . 1 1 63 63 ILE CA C 13 60.635 0.2 . 1 . . . . 63 ILE CA . 15008 1 682 . 1 1 63 63 ILE CB C 13 33.954 0.2 . 1 . . . . 63 ILE CB . 15008 1 683 . 1 1 63 63 ILE CG1 C 13 25.391 0.2 . 1 . . . . 63 ILE CG1 . 15008 1 684 . 1 1 63 63 ILE CG2 C 13 15.196 0.2 . 1 . . . . 63 ILE CG2 . 15008 1 685 . 1 1 63 63 ILE CD1 C 13 9.426 0.2 . 1 . . . . 63 ILE CD1 . 15008 1 686 . 1 1 63 63 ILE N N 15 120.65 0.2 . 1 . . . . 63 ILE N . 15008 1 687 . 1 1 64 64 GLU H H 1 7.403 0.001 . 1 . . . . 64 GLU H . 15008 1 688 . 1 1 64 64 GLU HA H 1 3.972 0.001 . 1 . . . . 64 GLU HA . 15008 1 689 . 1 1 64 64 GLU HG2 H 1 2.267 0.001 . 2 . . . . 64 GLU HG1 . 15008 1 690 . 1 1 64 64 GLU C C 13 179.573 0.2 . 1 . . . . 64 GLU C . 15008 1 691 . 1 1 64 64 GLU CA C 13 56.855 0.2 . 1 . . . . 64 GLU CA . 15008 1 692 . 1 1 64 64 GLU CB C 13 27.085 0.2 . 1 . . . . 64 GLU CB . 15008 1 693 . 1 1 64 64 GLU CG C 13 33.36 0.2 . 1 . . . . 64 GLU CG . 15008 1 694 . 1 1 64 64 GLU N N 15 121.167 0.2 . 1 . . . . 64 GLU N . 15008 1 695 . 1 1 65 65 ILE H H 1 8.123 0.001 . 1 . . . . 65 ILE H . 15008 1 696 . 1 1 65 65 ILE HA H 1 3.571 0.001 . 1 . . . . 65 ILE HA . 15008 1 697 . 1 1 65 65 ILE HB H 1 2.076 0.001 . 1 . . . . 65 ILE HB . 15008 1 698 . 1 1 65 65 ILE HG12 H 1 1.56 0.001 . 2 . . . . 65 ILE HG11 . 15008 1 699 . 1 1 65 65 ILE HG13 H 1 1.323 0.001 . 2 . . . . 65 ILE HG12 . 15008 1 700 . 1 1 65 65 ILE HG21 H 1 0.831 0.001 . 1 . . . . 65 ILE HG2 . 15008 1 701 . 1 1 65 65 ILE HG22 H 1 0.831 0.001 . 1 . . . . 65 ILE HG2 . 15008 1 702 . 1 1 65 65 ILE HG23 H 1 0.831 0.001 . 1 . . . . 65 ILE HG2 . 15008 1 703 . 1 1 65 65 ILE HD11 H 1 0.694 0.001 . 1 . . . . 65 ILE HD1 . 15008 1 704 . 1 1 65 65 ILE HD12 H 1 0.694 0.001 . 1 . . . . 65 ILE HD1 . 15008 1 705 . 1 1 65 65 ILE HD13 H 1 0.694 0.001 . 1 . . . . 65 ILE HD1 . 15008 1 706 . 1 1 65 65 ILE C C 13 177.993 0.2 . 1 . . . . 65 ILE C . 15008 1 707 . 1 1 65 65 ILE CA C 13 61.983 0.2 . 1 . . . . 65 ILE CA . 15008 1 708 . 1 1 65 65 ILE CB C 13 34.623 0.2 . 1 . . . . 65 ILE CB . 15008 1 709 . 1 1 65 65 ILE CG1 C 13 25.853 0.2 . 1 . . . . 65 ILE CG1 . 15008 1 710 . 1 1 65 65 ILE CG2 C 13 15.401 0.2 . 1 . . . . 65 ILE CG2 . 15008 1 711 . 1 1 65 65 ILE CD1 C 13 9.997 0.2 . 1 . . . . 65 ILE CD1 . 15008 1 712 . 1 1 65 65 ILE N N 15 118.98 0.2 . 1 . . . . 65 ILE N . 15008 1 713 . 1 1 66 66 LEU H H 1 8.164 0.001 . 1 . . . . 66 LEU H . 15008 1 714 . 1 1 66 66 LEU HA H 1 3.811 0.001 . 1 . . . . 66 LEU HA . 15008 1 715 . 1 1 66 66 LEU HB2 H 1 1.856 0.001 . 2 . . . . 66 LEU HB1 . 15008 1 716 . 1 1 66 66 LEU HG H 1 1.538 0.001 . 1 . . . . 66 LEU HG . 15008 1 717 . 1 1 66 66 LEU HD11 H 1 0.767 0.001 . 1 . . . . 66 LEU HD1 . 15008 1 718 . 1 1 66 66 LEU HD12 H 1 0.767 0.001 . 1 . . . . 66 LEU HD1 . 15008 1 719 . 1 1 66 66 LEU HD13 H 1 0.767 0.001 . 1 . . . . 66 LEU HD1 . 15008 1 720 . 1 1 66 66 LEU C C 13 178.937 0.2 . 1 . . . . 66 LEU C . 15008 1 721 . 1 1 66 66 LEU CA C 13 56.913 0.2 . 1 . . . . 66 LEU CA . 15008 1 722 . 1 1 66 66 LEU CB C 13 40.151 0.2 . 1 . . . . 66 LEU CB . 15008 1 723 . 1 1 66 66 LEU CD1 C 13 22.689 0.2 . 2 . . . . 66 LEU CD1 . 15008 1 724 . 1 1 66 66 LEU CD2 C 13 23.939 0.2 . 2 . . . . 66 LEU CD2 . 15008 1 725 . 1 1 66 66 LEU N N 15 122.19 0.2 . 1 . . . . 66 LEU N . 15008 1 726 . 1 1 67 67 LYS H H 1 8.208 0.001 . 1 . . . . 67 LYS H . 15008 1 727 . 1 1 67 67 LYS HA H 1 3.751 0.001 . 1 . . . . 67 LYS HA . 15008 1 728 . 1 1 67 67 LYS HB2 H 1 1.762 0.001 . 2 . . . . 67 LYS HB1 . 15008 1 729 . 1 1 67 67 LYS HG2 H 1 1.898 0.001 . 2 . . . . 67 LYS HG1 . 15008 1 730 . 1 1 67 67 LYS HG3 H 1 1.348 0.001 . 2 . . . . 67 LYS HG2 . 15008 1 731 . 1 1 67 67 LYS HD2 H 1 1.604 0.001 . 2 . . . . 67 LYS HD1 . 15008 1 732 . 1 1 67 67 LYS HE2 H 1 2.844 0.001 . 2 . . . . 67 LYS HE1 . 15008 1 733 . 1 1 67 67 LYS HE3 H 1 2.754 0.001 . 2 . . . . 67 LYS HE2 . 15008 1 734 . 1 1 67 67 LYS C C 13 180.468 0.2 . 1 . . . . 67 LYS C . 15008 1 735 . 1 1 67 67 LYS CA C 13 58.207 0.2 . 1 . . . . 67 LYS CA . 15008 1 736 . 1 1 67 67 LYS CB C 13 30.853 0.2 . 1 . . . . 67 LYS CB . 15008 1 737 . 1 1 67 67 LYS CG C 13 23.932 0.2 . 1 . . . . 67 LYS CG . 15008 1 738 . 1 1 67 67 LYS CD C 13 27.785 0.2 . 1 . . . . 67 LYS CD . 15008 1 739 . 1 1 67 67 LYS CE C 13 39.872 0.2 . 1 . . . . 67 LYS CE . 15008 1 740 . 1 1 67 67 LYS N N 15 117.645 0.2 . 1 . . . . 67 LYS N . 15008 1 741 . 1 1 68 68 ARG H H 1 8.243 0.001 . 1 . . . . 68 ARG H . 15008 1 742 . 1 1 68 68 ARG HA H 1 3.917 0.001 . 1 . . . . 68 ARG HA . 15008 1 743 . 1 1 68 68 ARG HB2 H 1 1.887 0.001 . 2 . . . . 68 ARG HB1 . 15008 1 744 . 1 1 68 68 ARG HG2 H 1 1.822 0.001 . 2 . . . . 68 ARG HG1 . 15008 1 745 . 1 1 68 68 ARG HG3 H 1 1.663 0.001 . 2 . . . . 68 ARG HG2 . 15008 1 746 . 1 1 68 68 ARG HD2 H 1 3.058 0.001 . 2 . . . . 68 ARG HD1 . 15008 1 747 . 1 1 68 68 ARG C C 13 180.322 0.2 . 1 . . . . 68 ARG C . 15008 1 748 . 1 1 68 68 ARG CA C 13 56.936 0.2 . 1 . . . . 68 ARG CA . 15008 1 749 . 1 1 68 68 ARG CB C 13 28.448 0.2 . 1 . . . . 68 ARG CB . 15008 1 750 . 1 1 68 68 ARG CG C 13 25.791 0.2 . 1 . . . . 68 ARG CG . 15008 1 751 . 1 1 68 68 ARG CD C 13 41.024 0.2 . 1 . . . . 68 ARG CD . 15008 1 752 . 1 1 68 68 ARG N N 15 118.383 0.2 . 1 . . . . 68 ARG N . 15008 1 753 . 1 1 69 69 MET H H 1 8.836 0.001 . 1 . . . . 69 MET H . 15008 1 754 . 1 1 69 69 MET HA H 1 3.743 0.001 . 1 . . . . 69 MET HA . 15008 1 755 . 1 1 69 69 MET HB2 H 1 1.821 0.001 . 2 . . . . 69 MET HB1 . 15008 1 756 . 1 1 69 69 MET HG2 H 1 3.039 0.001 . 2 . . . . 69 MET HG1 . 15008 1 757 . 1 1 69 69 MET HG3 H 1 2.011 0.001 . 2 . . . . 69 MET HG2 . 15008 1 758 . 1 1 69 69 MET C C 13 177.139 0.2 . 1 . . . . 69 MET C . 15008 1 759 . 1 1 69 69 MET CA C 13 59.004 0.2 . 1 . . . . 69 MET CA . 15008 1 760 . 1 1 69 69 MET CB C 13 30.353 0.2 . 1 . . . . 69 MET CB . 15008 1 761 . 1 1 69 69 MET CG C 13 32.703 0.2 . 1 . . . . 69 MET CG . 15008 1 762 . 1 1 69 69 MET N N 15 120.663 0.2 . 1 . . . . 69 MET N . 15008 1 763 . 1 1 70 70 LYS H H 1 7.525 0.001 . 1 . . . . 70 LYS H . 15008 1 764 . 1 1 70 70 LYS HA H 1 4.062 0.001 . 1 . . . . 70 LYS HA . 15008 1 765 . 1 1 70 70 LYS HB2 H 1 1.833 0.001 . 2 . . . . 70 LYS HB1 . 15008 1 766 . 1 1 70 70 LYS HB3 H 1 1.76 0.001 . 2 . . . . 70 LYS HB2 . 15008 1 767 . 1 1 70 70 LYS HG2 H 1 1.551 0.001 . 2 . . . . 70 LYS HG1 . 15008 1 768 . 1 1 70 70 LYS HG3 H 1 1.36 0.001 . 2 . . . . 70 LYS HG2 . 15008 1 769 . 1 1 70 70 LYS HD2 H 1 1.67 0.001 . 2 . . . . 70 LYS HD1 . 15008 1 770 . 1 1 70 70 LYS HE2 H 1 2.871 0.001 . 2 . . . . 70 LYS HE1 . 15008 1 771 . 1 1 70 70 LYS HE3 H 1 3.024 0.001 . 2 . . . . 70 LYS HE2 . 15008 1 772 . 1 1 70 70 LYS C C 13 178.534 0.2 . 1 . . . . 70 LYS C . 15008 1 773 . 1 1 70 70 LYS CA C 13 54.981 0.2 . 1 . . . . 70 LYS CA . 15008 1 774 . 1 1 70 70 LYS CB C 13 30.293 0.2 . 1 . . . . 70 LYS CB . 15008 1 775 . 1 1 70 70 LYS CG C 13 22.689 0.2 . 1 . . . . 70 LYS CG . 15008 1 776 . 1 1 70 70 LYS CD C 13 27.165 0.2 . 1 . . . . 70 LYS CD . 15008 1 777 . 1 1 70 70 LYS CE C 13 39.619 0.2 . 1 . . . . 70 LYS CE . 15008 1 778 . 1 1 70 70 LYS N N 15 116.489 0.2 . 1 . . . . 70 LYS N . 15008 1 779 . 1 1 71 71 VAL H H 1 7.149 0.001 . 1 . . . . 71 VAL H . 15008 1 780 . 1 1 71 71 VAL HA H 1 3.669 0.001 . 1 . . . . 71 VAL HA . 15008 1 781 . 1 1 71 71 VAL HB H 1 2.106 0.001 . 1 . . . . 71 VAL HB . 15008 1 782 . 1 1 71 71 VAL HG11 H 1 0.995 0.001 . 1 . . . . 71 VAL HG1 . 15008 1 783 . 1 1 71 71 VAL HG12 H 1 0.995 0.001 . 1 . . . . 71 VAL HG1 . 15008 1 784 . 1 1 71 71 VAL HG13 H 1 0.995 0.001 . 1 . . . . 71 VAL HG1 . 15008 1 785 . 1 1 71 71 VAL HG21 H 1 0.89 0.001 . 1 . . . . 71 VAL HG2 . 15008 1 786 . 1 1 71 71 VAL HG22 H 1 0.89 0.001 . 1 . . . . 71 VAL HG2 . 15008 1 787 . 1 1 71 71 VAL HG23 H 1 0.89 0.001 . 1 . . . . 71 VAL HG2 . 15008 1 788 . 1 1 71 71 VAL C C 13 178.562 0.2 . 1 . . . . 71 VAL C . 15008 1 789 . 1 1 71 71 VAL CA C 13 63.122 0.2 . 1 . . . . 71 VAL CA . 15008 1 790 . 1 1 71 71 VAL CB C 13 30.072 0.2 . 1 . . . . 71 VAL CB . 15008 1 791 . 1 1 71 71 VAL CG1 C 13 20.484 0.2 . 2 . . . . 71 VAL CG1 . 15008 1 792 . 1 1 71 71 VAL CG2 C 13 19.141 0.2 . 2 . . . . 71 VAL CG2 . 15008 1 793 . 1 1 71 71 VAL N N 15 117.687 0.2 . 1 . . . . 71 VAL N . 15008 1 794 . 1 1 72 72 ILE H H 1 7.222 0.001 . 1 . . . . 72 ILE H . 15008 1 795 . 1 1 72 72 ILE HA H 1 3.561 0.001 . 1 . . . . 72 ILE HA . 15008 1 796 . 1 1 72 72 ILE HB H 1 1.723 0.001 . 1 . . . . 72 ILE HB . 15008 1 797 . 1 1 72 72 ILE HG12 H 1 1.329 0.001 . 2 . . . . 72 ILE HG11 . 15008 1 798 . 1 1 72 72 ILE HG21 H 1 0.964 0.001 . 1 . . . . 72 ILE HG2 . 15008 1 799 . 1 1 72 72 ILE HG22 H 1 0.964 0.001 . 1 . . . . 72 ILE HG2 . 15008 1 800 . 1 1 72 72 ILE HG23 H 1 0.964 0.001 . 1 . . . . 72 ILE HG2 . 15008 1 801 . 1 1 72 72 ILE HD11 H 1 0.79 0.001 . 1 . . . . 72 ILE HD1 . 15008 1 802 . 1 1 72 72 ILE HD12 H 1 0.79 0.001 . 1 . . . . 72 ILE HD1 . 15008 1 803 . 1 1 72 72 ILE HD13 H 1 0.79 0.001 . 1 . . . . 72 ILE HD1 . 15008 1 804 . 1 1 72 72 ILE C C 13 176.959 0.2 . 1 . . . . 72 ILE C . 15008 1 805 . 1 1 72 72 ILE CA C 13 62.46 0.2 . 1 . . . . 72 ILE CA . 15008 1 806 . 1 1 72 72 ILE CB C 13 36.551 0.2 . 1 . . . . 72 ILE CB . 15008 1 807 . 1 1 72 72 ILE CG1 C 13 26.354 0.2 . 1 . . . . 72 ILE CG1 . 15008 1 808 . 1 1 72 72 ILE CG2 C 13 15.456 0.2 . 1 . . . . 72 ILE CG2 . 15008 1 809 . 1 1 72 72 ILE CD1 C 13 12.211 0.2 . 1 . . . . 72 ILE CD1 . 15008 1 810 . 1 1 72 72 ILE N N 15 121.395 0.2 . 1 . . . . 72 ILE N . 15008 1 811 . 1 1 73 73 ASP H H 1 8.029 0.001 . 1 . . . . 73 ASP H . 15008 1 812 . 1 1 73 73 ASP HA H 1 4.556 0.001 . 1 . . . . 73 ASP HA . 15008 1 813 . 1 1 73 73 ASP HB2 H 1 2.239 0.001 . 2 . . . . 73 ASP HB1 . 15008 1 814 . 1 1 73 73 ASP HB3 H 1 2.612 0.001 . 2 . . . . 73 ASP HB2 . 15008 1 815 . 1 1 73 73 ASP C C 13 175.794 0.2 . 1 . . . . 73 ASP C . 15008 1 816 . 1 1 73 73 ASP CA C 13 50.997 0.2 . 1 . . . . 73 ASP CA . 15008 1 817 . 1 1 73 73 ASP CB C 13 40.088 0.2 . 1 . . . . 73 ASP CB . 15008 1 818 . 1 1 73 73 ASP N N 15 117.105 0.2 . 1 . . . . 73 ASP N . 15008 1 819 . 1 1 74 74 GLU H H 1 8.703 0.001 . 1 . . . . 74 GLU H . 15008 1 820 . 1 1 74 74 GLU HA H 1 4.344 0.001 . 1 . . . . 74 GLU HA . 15008 1 821 . 1 1 74 74 GLU HB2 H 1 2.051 0.001 . 2 . . . . 74 GLU HB1 . 15008 1 822 . 1 1 74 74 GLU HG2 H 1 2.156 0.001 . 2 . . . . 74 GLU HG1 . 15008 1 823 . 1 1 74 74 GLU HG3 H 1 2.289 0.001 . 2 . . . . 74 GLU HG2 . 15008 1 824 . 1 1 74 74 GLU C C 13 177.589 0.2 . 1 . . . . 74 GLU C . 15008 1 825 . 1 1 74 74 GLU CA C 13 56.235 0.2 . 1 . . . . 74 GLU CA . 15008 1 826 . 1 1 74 74 GLU CB C 13 27.415 0.2 . 1 . . . . 74 GLU CB . 15008 1 827 . 1 1 74 74 GLU CG C 13 33.243 0.2 . 1 . . . . 74 GLU CG . 15008 1 828 . 1 1 74 74 GLU N N 15 125.167 0.2 . 1 . . . . 74 GLU N . 15008 1 829 . 1 1 75 75 ASN H H 1 8.349 0.001 . 1 . . . . 75 ASN H . 15008 1 830 . 1 1 75 75 ASN HA H 1 4.767 0.001 . 1 . . . . 75 ASN HA . 15008 1 831 . 1 1 75 75 ASN HB2 H 1 2.726 0.001 . 2 . . . . 75 ASN HB1 . 15008 1 832 . 1 1 75 75 ASN HB3 H 1 2.895 0.001 . 2 . . . . 75 ASN HB2 . 15008 1 833 . 1 1 75 75 ASN HD21 H 1 7.031 0.001 . 2 . . . . 75 ASN HD21 . 15008 1 834 . 1 1 75 75 ASN HD22 H 1 7.872 0.001 . 2 . . . . 75 ASN HD22 . 15008 1 835 . 1 1 75 75 ASN C C 13 175.869 0.2 . 1 . . . . 75 ASN C . 15008 1 836 . 1 1 75 75 ASN CA C 13 50.949 0.2 . 1 . . . . 75 ASN CA . 15008 1 837 . 1 1 75 75 ASN CB C 13 37.612 0.2 . 1 . . . . 75 ASN CB . 15008 1 838 . 1 1 75 75 ASN N N 15 116.551 0.2 . 1 . . . . 75 ASN N . 15008 1 839 . 1 1 75 75 ASN ND2 N 15 115.717 0.2 . 1 . . . . 75 ASN ND2 . 15008 1 840 . 1 1 76 76 ILE H H 1 7.417 0.001 . 1 . . . . 76 ILE H . 15008 1 841 . 1 1 76 76 ILE HA H 1 3.888 0.001 . 1 . . . . 76 ILE HA . 15008 1 842 . 1 1 76 76 ILE HB H 1 1.811 0.001 . 1 . . . . 76 ILE HB . 15008 1 843 . 1 1 76 76 ILE HG12 H 1 1.425 0.001 . 2 . . . . 76 ILE HG11 . 15008 1 844 . 1 1 76 76 ILE HG13 H 1 0.984 0.001 . 2 . . . . 76 ILE HG12 . 15008 1 845 . 1 1 76 76 ILE HG21 H 1 0.676 0.001 . 1 . . . . 76 ILE HG2 . 15008 1 846 . 1 1 76 76 ILE HG22 H 1 0.676 0.001 . 1 . . . . 76 ILE HG2 . 15008 1 847 . 1 1 76 76 ILE HG23 H 1 0.676 0.001 . 1 . . . . 76 ILE HG2 . 15008 1 848 . 1 1 76 76 ILE HD11 H 1 0.775 0.001 . 1 . . . . 76 ILE HD1 . 15008 1 849 . 1 1 76 76 ILE HD12 H 1 0.775 0.001 . 1 . . . . 76 ILE HD1 . 15008 1 850 . 1 1 76 76 ILE HD13 H 1 0.775 0.001 . 1 . . . . 76 ILE HD1 . 15008 1 851 . 1 1 76 76 ILE C C 13 174.586 0.2 . 1 . . . . 76 ILE C . 15008 1 852 . 1 1 76 76 ILE CA C 13 60.467 0.2 . 1 . . . . 76 ILE CA . 15008 1 853 . 1 1 76 76 ILE CB C 13 37.257 0.2 . 1 . . . . 76 ILE CB . 15008 1 854 . 1 1 76 76 ILE CG1 C 13 26.58 0.2 . 1 . . . . 76 ILE CG1 . 15008 1 855 . 1 1 76 76 ILE CG2 C 13 14.013 0.2 . 1 . . . . 76 ILE CG2 . 15008 1 856 . 1 1 76 76 ILE N N 15 123.625 0.2 . 1 . . . . 76 ILE N . 15008 1 857 . 1 1 77 77 ARG H H 1 7.525 0.001 . 1 . . . . 77 ARG H . 15008 1 858 . 1 1 77 77 ARG HA H 1 4.502 0.001 . 1 . . . . 77 ARG HA . 15008 1 859 . 1 1 77 77 ARG HB2 H 1 1.451 0.001 . 2 . . . . 77 ARG HB1 . 15008 1 860 . 1 1 77 77 ARG HB3 H 1 2.058 0.001 . 2 . . . . 77 ARG HB2 . 15008 1 861 . 1 1 77 77 ARG HG2 H 1 1.717 0.001 . 2 . . . . 77 ARG HG1 . 15008 1 862 . 1 1 77 77 ARG HG3 H 1 1.902 0.001 . 2 . . . . 77 ARG HG2 . 15008 1 863 . 1 1 77 77 ARG HD2 H 1 3.216 0.001 . 2 . . . . 77 ARG HD1 . 15008 1 864 . 1 1 77 77 ARG HD3 H 1 3.088 0.001 . 2 . . . . 77 ARG HD2 . 15008 1 865 . 1 1 77 77 ARG C C 13 175.38 0.2 . 1 . . . . 77 ARG C . 15008 1 866 . 1 1 77 77 ARG CA C 13 52.998 0.2 . 1 . . . . 77 ARG CA . 15008 1 867 . 1 1 77 77 ARG CB C 13 29.968 0.2 . 1 . . . . 77 ARG CB . 15008 1 868 . 1 1 77 77 ARG CG C 13 25.239 0.2 . 1 . . . . 77 ARG CG . 15008 1 869 . 1 1 77 77 ARG CD C 13 41.871 0.2 . 1 . . . . 77 ARG CD . 15008 1 870 . 1 1 77 77 ARG N N 15 127.133 0.2 . 1 . . . . 77 ARG N . 15008 1 871 . 1 1 78 78 VAL H H 1 8.659 0.001 . 1 . . . . 78 VAL H . 15008 1 872 . 1 1 78 78 VAL HA H 1 4.917 0.001 . 1 . . . . 78 VAL HA . 15008 1 873 . 1 1 78 78 VAL HB H 1 1.638 0.001 . 1 . . . . 78 VAL HB . 15008 1 874 . 1 1 78 78 VAL HG11 H 1 0.696 0.001 . 1 . . . . 78 VAL HG1 . 15008 1 875 . 1 1 78 78 VAL HG12 H 1 0.696 0.001 . 1 . . . . 78 VAL HG1 . 15008 1 876 . 1 1 78 78 VAL HG13 H 1 0.696 0.001 . 1 . . . . 78 VAL HG1 . 15008 1 877 . 1 1 78 78 VAL C C 13 174.951 0.2 . 1 . . . . 78 VAL C . 15008 1 878 . 1 1 78 78 VAL CA C 13 58.533 0.2 . 1 . . . . 78 VAL CA . 15008 1 879 . 1 1 78 78 VAL CB C 13 33.657 0.2 . 1 . . . . 78 VAL CB . 15008 1 880 . 1 1 78 78 VAL CG1 C 13 19.359 0.2 . 2 . . . . 78 VAL CG1 . 15008 1 881 . 1 1 78 78 VAL N N 15 122.62 0.2 . 1 . . . . 78 VAL N . 15008 1 882 . 1 1 79 79 ILE H H 1 9.126 0.001 . 1 . . . . 79 ILE H . 15008 1 883 . 1 1 79 79 ILE HA H 1 4.259 0.001 . 1 . . . . 79 ILE HA . 15008 1 884 . 1 1 79 79 ILE HB H 1 1.499 0.001 . 1 . . . . 79 ILE HB . 15008 1 885 . 1 1 79 79 ILE HG21 H 1 0.527 0.001 . 1 . . . . 79 ILE HG2 . 15008 1 886 . 1 1 79 79 ILE HG22 H 1 0.527 0.001 . 1 . . . . 79 ILE HG2 . 15008 1 887 . 1 1 79 79 ILE HG23 H 1 0.527 0.001 . 1 . . . . 79 ILE HG2 . 15008 1 888 . 1 1 79 79 ILE HD11 H 1 0.605 0.001 . 1 . . . . 79 ILE HD1 . 15008 1 889 . 1 1 79 79 ILE HD12 H 1 0.605 0.001 . 1 . . . . 79 ILE HD1 . 15008 1 890 . 1 1 79 79 ILE HD13 H 1 0.605 0.001 . 1 . . . . 79 ILE HD1 . 15008 1 891 . 1 1 79 79 ILE C C 13 175.549 0.2 . 1 . . . . 79 ILE C . 15008 1 892 . 1 1 79 79 ILE CA C 13 59.017 0.2 . 1 . . . . 79 ILE CA . 15008 1 893 . 1 1 79 79 ILE CB C 13 38.755 0.2 . 1 . . . . 79 ILE CB . 15008 1 894 . 1 1 79 79 ILE N N 15 128.023 0.2 . 1 . . . . 79 ILE N . 15008 1 895 . 1 1 80 80 ILE H H 1 7.734 0.001 . 1 . . . . 80 ILE H . 15008 1 896 . 1 1 80 80 ILE HA H 1 5.121 0.001 . 1 . . . . 80 ILE HA . 15008 1 897 . 1 1 80 80 ILE HB H 1 1.937 0.001 . 1 . . . . 80 ILE HB . 15008 1 898 . 1 1 80 80 ILE HG12 H 1 1.42 0.001 . 2 . . . . 80 ILE HG11 . 15008 1 899 . 1 1 80 80 ILE HG13 H 1 1.742 0.001 . 2 . . . . 80 ILE HG12 . 15008 1 900 . 1 1 80 80 ILE HG21 H 1 0.891 0.001 . 1 . . . . 80 ILE HG2 . 15008 1 901 . 1 1 80 80 ILE HG22 H 1 0.891 0.001 . 1 . . . . 80 ILE HG2 . 15008 1 902 . 1 1 80 80 ILE HG23 H 1 0.891 0.001 . 1 . . . . 80 ILE HG2 . 15008 1 903 . 1 1 80 80 ILE HD11 H 1 0.762 0.001 . 1 . . . . 80 ILE HD1 . 15008 1 904 . 1 1 80 80 ILE HD12 H 1 0.762 0.001 . 1 . . . . 80 ILE HD1 . 15008 1 905 . 1 1 80 80 ILE HD13 H 1 0.762 0.001 . 1 . . . . 80 ILE HD1 . 15008 1 906 . 1 1 80 80 ILE C C 13 175.011 0.2 . 1 . . . . 80 ILE C . 15008 1 907 . 1 1 80 80 ILE CA C 13 57.243 0.2 . 1 . . . . 80 ILE CA . 15008 1 908 . 1 1 80 80 ILE CB C 13 38.029 0.2 . 1 . . . . 80 ILE CB . 15008 1 909 . 1 1 80 80 ILE CG1 C 13 24.286 0.2 . 1 . . . . 80 ILE CG1 . 15008 1 910 . 1 1 80 80 ILE CG2 C 13 17.02 0.2 . 1 . . . . 80 ILE CG2 . 15008 1 911 . 1 1 80 80 ILE CD1 C 13 12.135 0.2 . 1 . . . . 80 ILE CD1 . 15008 1 912 . 1 1 80 80 ILE N N 15 120.372 0.2 . 1 . . . . 80 ILE N . 15008 1 913 . 1 1 81 81 MET H H 1 8.667 0.001 . 1 . . . . 81 MET H . 15008 1 914 . 1 1 81 81 MET HA H 1 5.744 0.001 . 1 . . . . 81 MET HA . 15008 1 915 . 1 1 81 81 MET HB2 H 1 1.868 0.001 . 2 . . . . 81 MET HB1 . 15008 1 916 . 1 1 81 81 MET HG2 H 1 2.344 0.001 . 2 . . . . 81 MET HG1 . 15008 1 917 . 1 1 81 81 MET HG3 H 1 2.176 0.001 . 2 . . . . 81 MET HG2 . 15008 1 918 . 1 1 81 81 MET C C 13 175.626 0.2 . 1 . . . . 81 MET C . 15008 1 919 . 1 1 81 81 MET CA C 13 51.826 0.2 . 1 . . . . 81 MET CA . 15008 1 920 . 1 1 81 81 MET CB C 13 33.686 0.2 . 1 . . . . 81 MET CB . 15008 1 921 . 1 1 81 81 MET CG C 13 29.634 0.2 . 1 . . . . 81 MET CG . 15008 1 922 . 1 1 81 81 MET N N 15 121.642 0.2 . 1 . . . . 81 MET N . 15008 1 923 . 1 1 82 82 THR H H 1 8.613 0.001 . 1 . . . . 82 THR H . 15008 1 924 . 1 1 82 82 THR HA H 1 4.778 0.001 . 1 . . . . 82 THR HA . 15008 1 925 . 1 1 82 82 THR HB H 1 4.268 0.001 . 1 . . . . 82 THR HB . 15008 1 926 . 1 1 82 82 THR HG21 H 1 0.96 0.001 . 1 . . . . 82 THR HG2 . 15008 1 927 . 1 1 82 82 THR HG22 H 1 0.96 0.001 . 1 . . . . 82 THR HG2 . 15008 1 928 . 1 1 82 82 THR HG23 H 1 0.96 0.001 . 1 . . . . 82 THR HG2 . 15008 1 929 . 1 1 82 82 THR C C 13 173.345 0.2 . 1 . . . . 82 THR C . 15008 1 930 . 1 1 82 82 THR CA C 13 57.34 0.2 . 1 . . . . 82 THR CA . 15008 1 931 . 1 1 82 82 THR CB C 13 68.401 0.2 . 1 . . . . 82 THR CB . 15008 1 932 . 1 1 82 82 THR CG2 C 13 18.326 0.2 . 1 . . . . 82 THR CG2 . 15008 1 933 . 1 1 82 82 THR N N 15 115.421 0.2 . 1 . . . . 82 THR N . 15008 1 934 . 1 1 83 83 ALA H H 1 8.579 0.001 . 1 . . . . 83 ALA H . 15008 1 935 . 1 1 83 83 ALA HA H 1 4.657 0.001 . 1 . . . . 83 ALA HA . 15008 1 936 . 1 1 83 83 ALA HB1 H 1 1.412 0.001 . 1 . . . . 83 ALA HB . 15008 1 937 . 1 1 83 83 ALA HB2 H 1 1.412 0.001 . 1 . . . . 83 ALA HB . 15008 1 938 . 1 1 83 83 ALA HB3 H 1 1.412 0.001 . 1 . . . . 83 ALA HB . 15008 1 939 . 1 1 83 83 ALA C C 13 178.153 0.2 . 1 . . . . 83 ALA C . 15008 1 940 . 1 1 83 83 ALA CA C 13 49.698 0.2 . 1 . . . . 83 ALA CA . 15008 1 941 . 1 1 83 83 ALA CB C 13 18.389 0.2 . 1 . . . . 83 ALA CB . 15008 1 942 . 1 1 83 83 ALA N N 15 124.577 0.2 . 1 . . . . 83 ALA N . 15008 1 943 . 1 1 84 84 TYR H H 1 8.598 0.001 . 1 . . . . 84 TYR H . 15008 1 944 . 1 1 84 84 TYR HA H 1 4.192 0.001 . 1 . . . . 84 TYR HA . 15008 1 945 . 1 1 84 84 TYR HB2 H 1 3.101 0.001 . 2 . . . . 84 TYR HB1 . 15008 1 946 . 1 1 84 84 TYR HB3 H 1 2.919 0.001 . 2 . . . . 84 TYR HB2 . 15008 1 947 . 1 1 84 84 TYR C C 13 177.447 0.2 . 1 . . . . 84 TYR C . 15008 1 948 . 1 1 84 84 TYR CA C 13 57.841 0.2 . 1 . . . . 84 TYR CA . 15008 1 949 . 1 1 84 84 TYR CB C 13 35.976 0.2 . 1 . . . . 84 TYR CB . 15008 1 950 . 1 1 84 84 TYR N N 15 121.627 0.2 . 1 . . . . 84 TYR N . 15008 1 951 . 1 1 85 85 GLY H H 1 8.484 0.001 . 1 . . . . 85 GLY H . 15008 1 952 . 1 1 85 85 GLY HA2 H 1 3.925 0.001 . 2 . . . . 85 GLY HA1 . 15008 1 953 . 1 1 85 85 GLY HA3 H 1 3.505 0.001 . 2 . . . . 85 GLY HA2 . 15008 1 954 . 1 1 85 85 GLY C C 13 174.931 0.2 . 1 . . . . 85 GLY C . 15008 1 955 . 1 1 85 85 GLY CA C 13 43.134 0.2 . 1 . . . . 85 GLY CA . 15008 1 956 . 1 1 85 85 GLY N N 15 112.724 0.2 . 1 . . . . 85 GLY N . 15008 1 957 . 1 1 86 86 GLU H H 1 7.711 0.001 . 1 . . . . 86 GLU H . 15008 1 958 . 1 1 86 86 GLU HA H 1 4.426 0.001 . 1 . . . . 86 GLU HA . 15008 1 959 . 1 1 86 86 GLU HG2 H 1 2.181 0.001 . 2 . . . . 86 GLU HG1 . 15008 1 960 . 1 1 86 86 GLU HG3 H 1 1.936 0.001 . 2 . . . . 86 GLU HG2 . 15008 1 961 . 1 1 86 86 GLU C C 13 176.98 0.2 . 1 . . . . 86 GLU C . 15008 1 962 . 1 1 86 86 GLU CA C 13 53.931 0.2 . 1 . . . . 86 GLU CA . 15008 1 963 . 1 1 86 86 GLU CB C 13 27.184 0.2 . 1 . . . . 86 GLU CB . 15008 1 964 . 1 1 86 86 GLU CG C 13 34.288 0.2 . 1 . . . . 86 GLU CG . 15008 1 965 . 1 1 86 86 GLU N N 15 121.182 0.2 . 1 . . . . 86 GLU N . 15008 1 966 . 1 1 87 87 LEU H H 1 8.181 0.001 . 1 . . . . 87 LEU H . 15008 1 967 . 1 1 87 87 LEU HA H 1 4.118 0.001 . 1 . . . . 87 LEU HA . 15008 1 968 . 1 1 87 87 LEU HB2 H 1 1.554 0.001 . 2 . . . . 87 LEU HB1 . 15008 1 969 . 1 1 87 87 LEU HD11 H 1 0.87 0.001 . 1 . . . . 87 LEU HD1 . 15008 1 970 . 1 1 87 87 LEU HD12 H 1 0.87 0.001 . 1 . . . . 87 LEU HD1 . 15008 1 971 . 1 1 87 87 LEU HD13 H 1 0.87 0.001 . 1 . . . . 87 LEU HD1 . 15008 1 972 . 1 1 87 87 LEU HD21 H 1 0.803 0.001 . 1 . . . . 87 LEU HD2 . 15008 1 973 . 1 1 87 87 LEU HD22 H 1 0.803 0.001 . 1 . . . . 87 LEU HD2 . 15008 1 974 . 1 1 87 87 LEU HD23 H 1 0.803 0.001 . 1 . . . . 87 LEU HD2 . 15008 1 975 . 1 1 87 87 LEU C C 13 178.906 0.2 . 1 . . . . 87 LEU C . 15008 1 976 . 1 1 87 87 LEU CA C 13 54.551 0.2 . 1 . . . . 87 LEU CA . 15008 1 977 . 1 1 87 87 LEU CB C 13 40.004 0.2 . 1 . . . . 87 LEU CB . 15008 1 978 . 1 1 87 87 LEU CG C 13 24.679 0.2 . 1 . . . . 87 LEU CG . 15008 1 979 . 1 1 87 87 LEU CD1 C 13 22.669 0.2 . 2 . . . . 87 LEU CD1 . 15008 1 980 . 1 1 87 87 LEU CD2 C 13 20.803 0.2 . 2 . . . . 87 LEU CD2 . 15008 1 981 . 1 1 87 87 LEU N N 15 122.228 0.2 . 1 . . . . 87 LEU N . 15008 1 982 . 1 1 88 88 ASP H H 1 8.43 0.001 . 1 . . . . 88 ASP H . 15008 1 983 . 1 1 88 88 ASP HA H 1 4.376 0.001 . 1 . . . . 88 ASP HA . 15008 1 984 . 1 1 88 88 ASP HB2 H 1 2.664 0.001 . 2 . . . . 88 ASP HB1 . 15008 1 985 . 1 1 88 88 ASP HB3 H 1 2.705 0.001 . 2 . . . . 88 ASP HB2 . 15008 1 986 . 1 1 88 88 ASP C C 13 178.001 0.2 . 1 . . . . 88 ASP C . 15008 1 987 . 1 1 88 88 ASP CA C 13 54.453 0.2 . 1 . . . . 88 ASP CA . 15008 1 988 . 1 1 88 88 ASP CB C 13 38.408 0.2 . 1 . . . . 88 ASP CB . 15008 1 989 . 1 1 88 88 ASP N N 15 119.897 0.2 . 1 . . . . 88 ASP N . 15008 1 990 . 1 1 89 89 MET H H 1 8.267 0.001 . 1 . . . . 89 MET H . 15008 1 991 . 1 1 89 89 MET CA C 13 55.121 0.2 . 1 . . . . 89 MET CA . 15008 1 992 . 1 1 89 89 MET CB C 13 29.242 0.2 . 1 . . . . 89 MET CB . 15008 1 993 . 1 1 89 89 MET N N 15 118.359 0.2 . 1 . . . . 89 MET N . 15008 1 994 . 1 1 90 90 ILE HA H 1 3.519 0.001 . 1 . . . . 90 ILE HA . 15008 1 995 . 1 1 90 90 ILE HB H 1 1.879 0.001 . 1 . . . . 90 ILE HB . 15008 1 996 . 1 1 90 90 ILE HG12 H 1 1.572 0.001 . 2 . . . . 90 ILE HG11 . 15008 1 997 . 1 1 90 90 ILE HD11 H 1 0.767 0.001 . 1 . . . . 90 ILE HD1 . 15008 1 998 . 1 1 90 90 ILE HD12 H 1 0.767 0.001 . 1 . . . . 90 ILE HD1 . 15008 1 999 . 1 1 90 90 ILE HD13 H 1 0.767 0.001 . 1 . . . . 90 ILE HD1 . 15008 1 1000 . 1 1 90 90 ILE C C 13 178.293 0.2 . 1 . . . . 90 ILE C . 15008 1 1001 . 1 1 90 90 ILE CA C 13 63.121 0.2 . 1 . . . . 90 ILE CA . 15008 1 1002 . 1 1 90 90 ILE CB C 13 35.281 0.2 . 1 . . . . 90 ILE CB . 15008 1 1003 . 1 1 90 90 ILE CG1 C 13 27.104 0.2 . 1 . . . . 90 ILE CG1 . 15008 1 1004 . 1 1 90 90 ILE CG2 C 13 10.82 0.2 . 1 . . . . 90 ILE CG2 . 15008 1 1005 . 1 1 90 90 ILE CD1 C 13 14.703 0.2 . 1 . . . . 90 ILE CD1 . 15008 1 1006 . 1 1 91 91 GLN H H 1 8.393 0.001 . 1 . . . . 91 GLN H . 15008 1 1007 . 1 1 91 91 GLN HA H 1 3.965 0.001 . 1 . . . . 91 GLN HA . 15008 1 1008 . 1 1 91 91 GLN HB2 H 1 2.081 0.001 . 2 . . . . 91 GLN HB1 . 15008 1 1009 . 1 1 91 91 GLN HB3 H 1 2.114 0.001 . 2 . . . . 91 GLN HB2 . 15008 1 1010 . 1 1 91 91 GLN HG2 H 1 2.369 0.001 . 2 . . . . 91 GLN HG1 . 15008 1 1011 . 1 1 91 91 GLN C C 13 178.797 0.2 . 1 . . . . 91 GLN C . 15008 1 1012 . 1 1 91 91 GLN CA C 13 57.108 0.2 . 1 . . . . 91 GLN CA . 15008 1 1013 . 1 1 91 91 GLN CB C 13 26.155 0.2 . 1 . . . . 91 GLN CB . 15008 1 1014 . 1 1 91 91 GLN CG C 13 31.457 0.2 . 1 . . . . 91 GLN CG . 15008 1 1015 . 1 1 91 91 GLN N N 15 121.253 0.2 . 1 . . . . 91 GLN N . 15008 1 1016 . 1 1 92 92 GLU H H 1 8.665 0.001 . 1 . . . . 92 GLU H . 15008 1 1017 . 1 1 92 92 GLU HA H 1 3.996 0.001 . 1 . . . . 92 GLU HA . 15008 1 1018 . 1 1 92 92 GLU HB2 H 1 1.925 0.001 . 2 . . . . 92 GLU HB1 . 15008 1 1019 . 1 1 92 92 GLU HG2 H 1 2.262 0.001 . 2 . . . . 92 GLU HG1 . 15008 1 1020 . 1 1 92 92 GLU C C 13 179.329 0.2 . 1 . . . . 92 GLU C . 15008 1 1021 . 1 1 92 92 GLU CA C 13 57.238 0.2 . 1 . . . . 92 GLU CA . 15008 1 1022 . 1 1 92 92 GLU CB C 13 27.587 0.2 . 1 . . . . 92 GLU CB . 15008 1 1023 . 1 1 92 92 GLU CG C 13 34.337 0.2 . 1 . . . . 92 GLU CG . 15008 1 1024 . 1 1 92 92 GLU N N 15 120.064 0.2 . 1 . . . . 92 GLU N . 15008 1 1025 . 1 1 93 93 SER H H 1 7.955 0.001 . 1 . . . . 93 SER H . 15008 1 1026 . 1 1 93 93 SER HA H 1 4.286 0.001 . 1 . . . . 93 SER HA . 15008 1 1027 . 1 1 93 93 SER HB2 H 1 3.657 0.001 . 2 . . . . 93 SER HB1 . 15008 1 1028 . 1 1 93 93 SER C C 13 176.851 0.2 . 1 . . . . 93 SER C . 15008 1 1029 . 1 1 93 93 SER CA C 13 60.076 0.2 . 1 . . . . 93 SER CA . 15008 1 1030 . 1 1 93 93 SER N N 15 114.293 0.2 . 1 . . . . 93 SER N . 15008 1 1031 . 1 1 94 94 LYS H H 1 8.068 0.001 . 1 . . . . 94 LYS H . 15008 1 1032 . 1 1 94 94 LYS HA H 1 4.187 0.001 . 1 . . . . 94 LYS HA . 15008 1 1033 . 1 1 94 94 LYS HB2 H 1 1.903 0.001 . 2 . . . . 94 LYS HB1 . 15008 1 1034 . 1 1 94 94 LYS HG2 H 1 1.279 0.001 . 2 . . . . 94 LYS HG1 . 15008 1 1035 . 1 1 94 94 LYS HG3 H 1 1.526 0.001 . 2 . . . . 94 LYS HG2 . 15008 1 1036 . 1 1 94 94 LYS HD2 H 1 1.599 0.001 . 2 . . . . 94 LYS HD1 . 15008 1 1037 . 1 1 94 94 LYS HE2 H 1 2.876 0.001 . 2 . . . . 94 LYS HE1 . 15008 1 1038 . 1 1 94 94 LYS C C 13 171.14 0.2 . 1 . . . . 94 LYS C . 15008 1 1039 . 1 1 94 94 LYS CA C 13 57.341 0.2 . 1 . . . . 94 LYS CA . 15008 1 1040 . 1 1 94 94 LYS CB C 13 29.948 0.2 . 1 . . . . 94 LYS CB . 15008 1 1041 . 1 1 94 94 LYS CG C 13 22.685 0.2 . 1 . . . . 94 LYS CG . 15008 1 1042 . 1 1 94 94 LYS CD C 13 26.939 0.2 . 1 . . . . 94 LYS CD . 15008 1 1043 . 1 1 94 94 LYS CE C 13 39.701 0.2 . 1 . . . . 94 LYS CE . 15008 1 1044 . 1 1 94 94 LYS N N 15 124.761 0.2 . 1 . . . . 94 LYS N . 15008 1 1045 . 1 1 95 95 GLU H H 1 8.044 0.001 . 1 . . . . 95 GLU H . 15008 1 1046 . 1 1 95 95 GLU HA H 1 4.055 0.001 . 1 . . . . 95 GLU HA . 15008 1 1047 . 1 1 95 95 GLU HB2 H 1 2.101 0.001 . 2 . . . . 95 GLU HB1 . 15008 1 1048 . 1 1 95 95 GLU HG2 H 1 2.283 0.001 . 2 . . . . 95 GLU HG1 . 15008 1 1049 . 1 1 95 95 GLU HG3 H 1 2.384 0.001 . 2 . . . . 95 GLU HG2 . 15008 1 1050 . 1 1 95 95 GLU C C 13 178.666 0.2 . 1 . . . . 95 GLU C . 15008 1 1051 . 1 1 95 95 GLU CA C 13 56.728 0.2 . 1 . . . . 95 GLU CA . 15008 1 1052 . 1 1 95 95 GLU CB C 13 27.206 0.2 . 1 . . . . 95 GLU CB . 15008 1 1053 . 1 1 95 95 GLU CG C 13 34.17 0.2 . 1 . . . . 95 GLU CG . 15008 1 1054 . 1 1 95 95 GLU N N 15 121.357 0.2 . 1 . . . . 95 GLU N . 15008 1 1055 . 1 1 96 96 LEU H H 1 7.362 0.001 . 1 . . . . 96 LEU H . 15008 1 1056 . 1 1 96 96 LEU HA H 1 4.257 0.001 . 1 . . . . 96 LEU HA . 15008 1 1057 . 1 1 96 96 LEU HB2 H 1 1.766 0.001 . 2 . . . . 96 LEU HB1 . 15008 1 1058 . 1 1 96 96 LEU HB3 H 1 1.557 0.001 . 2 . . . . 96 LEU HB2 . 15008 1 1059 . 1 1 96 96 LEU HD11 H 1 0.824 0.001 . 1 . . . . 96 LEU HD1 . 15008 1 1060 . 1 1 96 96 LEU HD12 H 1 0.824 0.001 . 1 . . . . 96 LEU HD1 . 15008 1 1061 . 1 1 96 96 LEU HD13 H 1 0.824 0.001 . 1 . . . . 96 LEU HD1 . 15008 1 1062 . 1 1 96 96 LEU C C 13 177.031 0.2 . 1 . . . . 96 LEU C . 15008 1 1063 . 1 1 96 96 LEU CA C 13 52.906 0.2 . 1 . . . . 96 LEU CA . 15008 1 1064 . 1 1 96 96 LEU CB C 13 40.901 0.2 . 1 . . . . 96 LEU CB . 15008 1 1065 . 1 1 96 96 LEU CD1 C 13 24.564 0.2 . 2 . . . . 96 LEU CD1 . 15008 1 1066 . 1 1 96 96 LEU CD2 C 13 20.86 0.2 . 2 . . . . 96 LEU CD2 . 15008 1 1067 . 1 1 96 96 LEU N N 15 117.829 0.2 . 1 . . . . 96 LEU N . 15008 1 1068 . 1 1 97 97 GLY H H 1 7.601 0.001 . 1 . . . . 97 GLY H . 15008 1 1069 . 1 1 97 97 GLY HA2 H 1 4.284 0.001 . 2 . . . . 97 GLY HA1 . 15008 1 1070 . 1 1 97 97 GLY HA3 H 1 3.675 0.001 . 2 . . . . 97 GLY HA2 . 15008 1 1071 . 1 1 97 97 GLY C C 13 175.938 0.2 . 1 . . . . 97 GLY C . 15008 1 1072 . 1 1 97 97 GLY CA C 13 42.434 0.2 . 1 . . . . 97 GLY CA . 15008 1 1073 . 1 1 97 97 GLY N N 15 104.669 0.2 . 1 . . . . 97 GLY N . 15008 1 1074 . 1 1 98 98 ALA H H 1 8.222 0.001 . 1 . . . . 98 ALA H . 15008 1 1075 . 1 1 98 98 ALA HA H 1 4.3 0.001 . 1 . . . . 98 ALA HA . 15008 1 1076 . 1 1 98 98 ALA HB1 H 1 1.053 0.001 . 1 . . . . 98 ALA HB . 15008 1 1077 . 1 1 98 98 ALA HB2 H 1 1.053 0.001 . 1 . . . . 98 ALA HB . 15008 1 1078 . 1 1 98 98 ALA HB3 H 1 1.053 0.001 . 1 . . . . 98 ALA HB . 15008 1 1079 . 1 1 98 98 ALA C C 13 177.769 0.2 . 1 . . . . 98 ALA C . 15008 1 1080 . 1 1 98 98 ALA CA C 13 50.478 0.2 . 1 . . . . 98 ALA CA . 15008 1 1081 . 1 1 98 98 ALA CB C 13 16.865 0.2 . 1 . . . . 98 ALA CB . 15008 1 1082 . 1 1 98 98 ALA N N 15 124.023 0.2 . 1 . . . . 98 ALA N . 15008 1 1083 . 1 1 99 99 LEU H H 1 8.918 0.001 . 1 . . . . 99 LEU H . 15008 1 1084 . 1 1 99 99 LEU HA H 1 3.882 0.001 . 1 . . . . 99 LEU HA . 15008 1 1085 . 1 1 99 99 LEU HB2 H 1 0.873 0.001 . 2 . . . . 99 LEU HB1 . 15008 1 1086 . 1 1 99 99 LEU HB3 H 1 1.14 0.001 . 2 . . . . 99 LEU HB2 . 15008 1 1087 . 1 1 99 99 LEU HG H 1 1.492 0.001 . 1 . . . . 99 LEU HG . 15008 1 1088 . 1 1 99 99 LEU HD11 H 1 0.39 0.001 . 1 . . . . 99 LEU HD1 . 15008 1 1089 . 1 1 99 99 LEU HD12 H 1 0.39 0.001 . 1 . . . . 99 LEU HD1 . 15008 1 1090 . 1 1 99 99 LEU HD13 H 1 0.39 0.001 . 1 . . . . 99 LEU HD1 . 15008 1 1091 . 1 1 99 99 LEU HD21 H 1 0.573 0.001 . 1 . . . . 99 LEU HD2 . 15008 1 1092 . 1 1 99 99 LEU HD22 H 1 0.573 0.001 . 1 . . . . 99 LEU HD2 . 15008 1 1093 . 1 1 99 99 LEU HD23 H 1 0.573 0.001 . 1 . . . . 99 LEU HD2 . 15008 1 1094 . 1 1 99 99 LEU C C 13 177.908 0.2 . 1 . . . . 99 LEU C . 15008 1 1095 . 1 1 99 99 LEU CA C 13 55.327 0.2 . 1 . . . . 99 LEU CA . 15008 1 1096 . 1 1 99 99 LEU CB C 13 41.35 0.2 . 1 . . . . 99 LEU CB . 15008 1 1097 . 1 1 99 99 LEU CG C 13 24.517 0.2 . 1 . . . . 99 LEU CG . 15008 1 1098 . 1 1 99 99 LEU CD1 C 13 22.434 0.2 . 2 . . . . 99 LEU CD1 . 15008 1 1099 . 1 1 99 99 LEU CD2 C 13 20.398 0.2 . 2 . . . . 99 LEU CD2 . 15008 1 1100 . 1 1 99 99 LEU N N 15 122.445 0.2 . 1 . . . . 99 LEU N . 15008 1 1101 . 1 1 100 100 THR H H 1 7.157 0.001 . 1 . . . . 100 THR H . 15008 1 1102 . 1 1 100 100 THR HA H 1 4.123 0.001 . 1 . . . . 100 THR HA . 15008 1 1103 . 1 1 100 100 THR HG21 H 1 0.821 0.001 . 1 . . . . 100 THR HG2 . 15008 1 1104 . 1 1 100 100 THR HG22 H 1 0.821 0.001 . 1 . . . . 100 THR HG2 . 15008 1 1105 . 1 1 100 100 THR HG23 H 1 0.821 0.001 . 1 . . . . 100 THR HG2 . 15008 1 1106 . 1 1 100 100 THR C C 13 176.067 0.2 . 1 . . . . 100 THR C . 15008 1 1107 . 1 1 100 100 THR CA C 13 57.579 0.2 . 1 . . . . 100 THR CA . 15008 1 1108 . 1 1 100 100 THR CB C 13 65.222 0.2 . 1 . . . . 100 THR CB . 15008 1 1109 . 1 1 100 100 THR CG2 C 13 17.123 0.2 . 1 . . . . 100 THR CG2 . 15008 1 1110 . 1 1 100 100 THR N N 15 106.075 0.2 . 1 . . . . 100 THR N . 15008 1 1111 . 1 1 101 101 ALA H H 1 7.957 0.001 . 1 . . . . 101 ALA H . 15008 1 1112 . 1 1 101 101 ALA HA H 1 4.083 0.001 . 1 . . . . 101 ALA HA . 15008 1 1113 . 1 1 101 101 ALA HB1 H 1 1.22 0.001 . 1 . . . . 101 ALA HB . 15008 1 1114 . 1 1 101 101 ALA HB2 H 1 1.22 0.001 . 1 . . . . 101 ALA HB . 15008 1 1115 . 1 1 101 101 ALA HB3 H 1 1.22 0.001 . 1 . . . . 101 ALA HB . 15008 1 1116 . 1 1 101 101 ALA C C 13 175.512 0.2 . 1 . . . . 101 ALA C . 15008 1 1117 . 1 1 101 101 ALA CA C 13 48.218 0.2 . 1 . . . . 101 ALA CA . 15008 1 1118 . 1 1 101 101 ALA CB C 13 22.191 0.2 . 1 . . . . 101 ALA CB . 15008 1 1119 . 1 1 101 101 ALA N N 15 123.385 0.2 . 1 . . . . 101 ALA N . 15008 1 1120 . 1 1 102 102 PHE H H 1 7.563 0.001 . 1 . . . . 102 PHE H . 15008 1 1121 . 1 1 102 102 PHE HA H 1 4.269 0.001 . 1 . . . . 102 PHE HA . 15008 1 1122 . 1 1 102 102 PHE HB2 H 1 2.19 0.001 . 2 . . . . 102 PHE HB1 . 15008 1 1123 . 1 1 102 102 PHE HB3 H 1 2.419 0.001 . 2 . . . . 102 PHE HB2 . 15008 1 1124 . 1 1 102 102 PHE C C 13 174.642 0.2 . 1 . . . . 102 PHE C . 15008 1 1125 . 1 1 102 102 PHE CA C 13 54.124 0.2 . 1 . . . . 102 PHE CA . 15008 1 1126 . 1 1 102 102 PHE CB C 13 40.694 0.2 . 1 . . . . 102 PHE CB . 15008 1 1127 . 1 1 103 103 ALA H H 1 8.534 0.001 . 1 . . . . 103 ALA H . 15008 1 1128 . 1 1 103 103 ALA HA H 1 4.825 0.001 . 1 . . . . 103 ALA HA . 15008 1 1129 . 1 1 103 103 ALA HB1 H 1 1.153 0.001 . 1 . . . . 103 ALA HB . 15008 1 1130 . 1 1 103 103 ALA HB2 H 1 1.153 0.001 . 1 . . . . 103 ALA HB . 15008 1 1131 . 1 1 103 103 ALA HB3 H 1 1.153 0.001 . 1 . . . . 103 ALA HB . 15008 1 1132 . 1 1 103 103 ALA C C 13 177.358 0.2 . 1 . . . . 103 ALA C . 15008 1 1133 . 1 1 103 103 ALA CA C 13 48.551 0.2 . 1 . . . . 103 ALA CA . 15008 1 1134 . 1 1 103 103 ALA CB C 13 18.045 0.2 . 1 . . . . 103 ALA CB . 15008 1 1135 . 1 1 103 103 ALA N N 15 125.395 0.2 . 1 . . . . 103 ALA N . 15008 1 1136 . 1 1 104 104 LYS H H 1 8.314 0.001 . 1 . . . . 104 LYS H . 15008 1 1137 . 1 1 104 104 LYS C C 13 174.637 0.2 . 1 . . . . 104 LYS C . 15008 1 1138 . 1 1 104 104 LYS CA C 13 52.2 0.2 . 1 . . . . 104 LYS CA . 15008 1 1139 . 1 1 104 104 LYS CB C 13 32.123 0.2 . 1 . . . . 104 LYS CB . 15008 1 1140 . 1 1 104 104 LYS N N 15 120.344 0.2 . 1 . . . . 104 LYS N . 15008 1 1141 . 1 1 105 105 PRO HA H 1 4.279 0.001 . 1 . . . . 105 PRO HA . 15008 1 1142 . 1 1 105 105 PRO HB2 H 1 2.19 0.001 . 2 . . . . 105 PRO HB1 . 15008 1 1143 . 1 1 105 105 PRO HG2 H 1 1.958 0.001 . 2 . . . . 105 PRO HG1 . 15008 1 1144 . 1 1 105 105 PRO HG3 H 1 1.856 0.001 . 2 . . . . 105 PRO HG2 . 15008 1 1145 . 1 1 105 105 PRO HD2 H 1 3.615 0.001 . 2 . . . . 105 PRO HD1 . 15008 1 1146 . 1 1 105 105 PRO HD3 H 1 3.442 0.001 . 2 . . . . 105 PRO HD2 . 15008 1 1147 . 1 1 105 105 PRO C C 13 176.012 0.2 . 1 . . . . 105 PRO C . 15008 1 1148 . 1 1 105 105 PRO CA C 13 60.057 0.2 . 1 . . . . 105 PRO CA . 15008 1 1149 . 1 1 105 105 PRO CB C 13 32.162 0.2 . 1 . . . . 105 PRO CB . 15008 1 1150 . 1 1 105 105 PRO CG C 13 22.717 0.2 . 1 . . . . 105 PRO CG . 15008 1 1151 . 1 1 105 105 PRO CD C 13 47.88 0.2 . 1 . . . . 105 PRO CD . 15008 1 1152 . 1 1 106 106 PHE H H 1 7.595 0.001 . 1 . . . . 106 PHE H . 15008 1 1153 . 1 1 106 106 PHE HA H 1 5.105 0.001 . 1 . . . . 106 PHE HA . 15008 1 1154 . 1 1 106 106 PHE HB2 H 1 3.155 0.001 . 2 . . . . 106 PHE HB1 . 15008 1 1155 . 1 1 106 106 PHE HD1 H 1 6.926 0.001 . 3 . . . . 106 PHE HD1 . 15008 1 1156 . 1 1 106 106 PHE C C 13 175.668 0.2 . 1 . . . . 106 PHE C . 15008 1 1157 . 1 1 106 106 PHE CA C 13 52.102 0.2 . 1 . . . . 106 PHE CA . 15008 1 1158 . 1 1 106 106 PHE CB C 13 40 0.2 . 1 . . . . 106 PHE CB . 15008 1 1159 . 1 1 106 106 PHE N N 15 119.378 0.2 . 1 . . . . 106 PHE N . 15008 1 1160 . 1 1 107 107 ASP H H 1 9.27 0.001 . 1 . . . . 107 ASP H . 15008 1 1161 . 1 1 107 107 ASP HA H 1 4.854 0.001 . 1 . . . . 107 ASP HA . 15008 1 1162 . 1 1 107 107 ASP HB2 H 1 2.623 0.001 . 2 . . . . 107 ASP HB1 . 15008 1 1163 . 1 1 107 107 ASP HB3 H 1 2.918 0.001 . 2 . . . . 107 ASP HB2 . 15008 1 1164 . 1 1 107 107 ASP C C 13 177.482 0.2 . 1 . . . . 107 ASP C . 15008 1 1165 . 1 1 107 107 ASP CA C 13 51.021 0.2 . 1 . . . . 107 ASP CA . 15008 1 1166 . 1 1 107 107 ASP CB C 13 40.442 0.2 . 1 . . . . 107 ASP CB . 15008 1 1167 . 1 1 107 107 ASP N N 15 122.927 0.2 . 1 . . . . 107 ASP N . 15008 1 1168 . 1 1 108 108 ILE H H 1 8.805 0.001 . 1 . . . . 108 ILE H . 15008 1 1169 . 1 1 108 108 ILE HA H 1 3.765 0.001 . 1 . . . . 108 ILE HA . 15008 1 1170 . 1 1 108 108 ILE HB H 1 1.9 0.001 . 1 . . . . 108 ILE HB . 15008 1 1171 . 1 1 108 108 ILE HG12 H 1 1.362 0.001 . 2 . . . . 108 ILE HG11 . 15008 1 1172 . 1 1 108 108 ILE HG13 H 1 1.284 0.001 . 2 . . . . 108 ILE HG12 . 15008 1 1173 . 1 1 108 108 ILE HG21 H 1 0.858 0.001 . 1 . . . . 108 ILE HG2 . 15008 1 1174 . 1 1 108 108 ILE HG22 H 1 0.858 0.001 . 1 . . . . 108 ILE HG2 . 15008 1 1175 . 1 1 108 108 ILE HG23 H 1 0.858 0.001 . 1 . . . . 108 ILE HG2 . 15008 1 1176 . 1 1 108 108 ILE HD11 H 1 0.768 0.001 . 1 . . . . 108 ILE HD1 . 15008 1 1177 . 1 1 108 108 ILE HD12 H 1 0.768 0.001 . 1 . . . . 108 ILE HD1 . 15008 1 1178 . 1 1 108 108 ILE HD13 H 1 0.768 0.001 . 1 . . . . 108 ILE HD1 . 15008 1 1179 . 1 1 108 108 ILE C C 13 176.614 0.2 . 1 . . . . 108 ILE C . 15008 1 1180 . 1 1 108 108 ILE CA C 13 60.543 0.2 . 1 . . . . 108 ILE CA . 15008 1 1181 . 1 1 108 108 ILE CB C 13 35.784 0.2 . 1 . . . . 108 ILE CB . 15008 1 1182 . 1 1 108 108 ILE CG1 C 13 26.492 0.2 . 1 . . . . 108 ILE CG1 . 15008 1 1183 . 1 1 108 108 ILE CG2 C 13 15.901 0.2 . 1 . . . . 108 ILE CG2 . 15008 1 1184 . 1 1 108 108 ILE CD1 C 13 10.817 0.2 . 1 . . . . 108 ILE CD1 . 15008 1 1185 . 1 1 108 108 ILE N N 15 127.147 0.2 . 1 . . . . 108 ILE N . 15008 1 1186 . 1 1 109 109 ASP H H 1 8.04 0.001 . 1 . . . . 109 ASP H . 15008 1 1187 . 1 1 109 109 ASP HA H 1 4.263 0.001 . 1 . . . . 109 ASP HA . 15008 1 1188 . 1 1 109 109 ASP HB2 H 1 2.72 0.001 . 2 . . . . 109 ASP HB1 . 15008 1 1189 . 1 1 109 109 ASP HB3 H 1 2.597 0.001 . 2 . . . . 109 ASP HB2 . 15008 1 1190 . 1 1 109 109 ASP C C 13 178.684 0.2 . 1 . . . . 109 ASP C . 15008 1 1191 . 1 1 109 109 ASP CA C 13 55.572 0.2 . 1 . . . . 109 ASP CA . 15008 1 1192 . 1 1 109 109 ASP CB C 13 38.196 0.2 . 1 . . . . 109 ASP CB . 15008 1 1193 . 1 1 109 109 ASP N N 15 121.316 0.2 . 1 . . . . 109 ASP N . 15008 1 1194 . 1 1 110 110 GLU H H 1 7.723 0.001 . 1 . . . . 110 GLU H . 15008 1 1195 . 1 1 110 110 GLU HA H 1 4.055 0.001 . 1 . . . . 110 GLU HA . 15008 1 1196 . 1 1 110 110 GLU HG2 H 1 2.258 0.001 . 2 . . . . 110 GLU HG1 . 15008 1 1197 . 1 1 110 110 GLU HG3 H 1 2.438 0.001 . 2 . . . . 110 GLU HG2 . 15008 1 1198 . 1 1 110 110 GLU C C 13 180.357 0.2 . 1 . . . . 110 GLU C . 15008 1 1199 . 1 1 110 110 GLU CA C 13 57.061 0.2 . 1 . . . . 110 GLU CA . 15008 1 1200 . 1 1 110 110 GLU CB C 13 27.998 0.2 . 1 . . . . 110 GLU CB . 15008 1 1201 . 1 1 110 110 GLU CG C 13 34.588 0.2 . 1 . . . . 110 GLU CG . 15008 1 1202 . 1 1 110 110 GLU N N 15 120.883 0.2 . 1 . . . . 110 GLU N . 15008 1 1203 . 1 1 111 111 ILE H H 1 7.541 0.001 . 1 . . . . 111 ILE H . 15008 1 1204 . 1 1 111 111 ILE HA H 1 3.29 0.001 . 1 . . . . 111 ILE HA . 15008 1 1205 . 1 1 111 111 ILE HB H 1 1.215 0.001 . 1 . . . . 111 ILE HB . 15008 1 1206 . 1 1 111 111 ILE HG12 H 1 0.312 0.001 . 2 . . . . 111 ILE HG11 . 15008 1 1207 . 1 1 111 111 ILE HG13 H 1 0.514 0.001 . 2 . . . . 111 ILE HG12 . 15008 1 1208 . 1 1 111 111 ILE HD11 H 1 -0.358 0.001 . 1 . . . . 111 ILE HD1 . 15008 1 1209 . 1 1 111 111 ILE HD12 H 1 -0.358 0.001 . 1 . . . . 111 ILE HD1 . 15008 1 1210 . 1 1 111 111 ILE HD13 H 1 -0.358 0.001 . 1 . . . . 111 ILE HD1 . 15008 1 1211 . 1 1 111 111 ILE C C 13 177.523 0.2 . 1 . . . . 111 ILE C . 15008 1 1212 . 1 1 111 111 ILE CA C 13 61.572 0.2 . 1 . . . . 111 ILE CA . 15008 1 1213 . 1 1 111 111 ILE CB C 13 34.79 0.2 . 1 . . . . 111 ILE CB . 15008 1 1214 . 1 1 111 111 ILE CG1 C 13 25.853 0.2 . 1 . . . . 111 ILE CG1 . 15008 1 1215 . 1 1 111 111 ILE CG2 C 13 14.892 0.2 . 1 . . . . 111 ILE CG2 . 15008 1 1216 . 1 1 111 111 ILE CD1 C 13 9.005 0.2 . 1 . . . . 111 ILE CD1 . 15008 1 1217 . 1 1 111 111 ILE N N 15 120.102 0.2 . 1 . . . . 111 ILE N . 15008 1 1218 . 1 1 112 112 ARG H H 1 8.251 0.001 . 1 . . . . 112 ARG H . 15008 1 1219 . 1 1 112 112 ARG HA H 1 3.85 0.001 . 1 . . . . 112 ARG HA . 15008 1 1220 . 1 1 112 112 ARG HB2 H 1 2.014 0.001 . 2 . . . . 112 ARG HB1 . 15008 1 1221 . 1 1 112 112 ARG HB3 H 1 1.464 0.001 . 2 . . . . 112 ARG HB2 . 15008 1 1222 . 1 1 112 112 ARG HG2 H 1 1.645 0.001 . 2 . . . . 112 ARG HG1 . 15008 1 1223 . 1 1 112 112 ARG HG3 H 1 1.335 0.001 . 2 . . . . 112 ARG HG2 . 15008 1 1224 . 1 1 112 112 ARG HD2 H 1 3.191 0.001 . 2 . . . . 112 ARG HD1 . 15008 1 1225 . 1 1 112 112 ARG HD3 H 1 3.068 0.001 . 2 . . . . 112 ARG HD2 . 15008 1 1226 . 1 1 112 112 ARG C C 13 178.406 0.2 . 1 . . . . 112 ARG C . 15008 1 1227 . 1 1 112 112 ARG CA C 13 57.966 0.2 . 1 . . . . 112 ARG CA . 15008 1 1228 . 1 1 112 112 ARG CB C 13 28.189 0.2 . 1 . . . . 112 ARG CB . 15008 1 1229 . 1 1 112 112 ARG CG C 13 24.533 0.2 . 1 . . . . 112 ARG CG . 15008 1 1230 . 1 1 112 112 ARG CD C 13 41.022 0.2 . 1 . . . . 112 ARG CD . 15008 1 1231 . 1 1 112 112 ARG N N 15 121.934 0.2 . 1 . . . . 112 ARG N . 15008 1 1232 . 1 1 113 113 ASP H H 1 8.039 0.001 . 1 . . . . 113 ASP H . 15008 1 1233 . 1 1 113 113 ASP HA H 1 4.31 0.001 . 1 . . . . 113 ASP HA . 15008 1 1234 . 1 1 113 113 ASP HB2 H 1 2.719 0.001 . 2 . . . . 113 ASP HB1 . 15008 1 1235 . 1 1 113 113 ASP HB3 H 1 2.563 0.001 . 2 . . . . 113 ASP HB2 . 15008 1 1236 . 1 1 113 113 ASP C C 13 179.065 0.2 . 1 . . . . 113 ASP C . 15008 1 1237 . 1 1 113 113 ASP CA C 13 55.207 0.2 . 1 . . . . 113 ASP CA . 15008 1 1238 . 1 1 113 113 ASP CB C 13 38.391 0.2 . 1 . . . . 113 ASP CB . 15008 1 1239 . 1 1 113 113 ASP N N 15 118.113 0.2 . 1 . . . . 113 ASP N . 15008 1 1240 . 1 1 114 114 ALA H H 1 7.967 0.001 . 1 . . . . 114 ALA H . 15008 1 1241 . 1 1 114 114 ALA HA H 1 4.115 0.001 . 1 . . . . 114 ALA HA . 15008 1 1242 . 1 1 114 114 ALA HB1 H 1 1.669 0.001 . 1 . . . . 114 ALA HB . 15008 1 1243 . 1 1 114 114 ALA HB2 H 1 1.669 0.001 . 1 . . . . 114 ALA HB . 15008 1 1244 . 1 1 114 114 ALA HB3 H 1 1.669 0.001 . 1 . . . . 114 ALA HB . 15008 1 1245 . 1 1 114 114 ALA C C 13 179.824 0.2 . 1 . . . . 114 ALA C . 15008 1 1246 . 1 1 114 114 ALA CA C 13 53.018 0.2 . 1 . . . . 114 ALA CA . 15008 1 1247 . 1 1 114 114 ALA CB C 13 16.761 0.2 . 1 . . . . 114 ALA CB . 15008 1 1248 . 1 1 114 114 ALA N N 15 122.943 0.2 . 1 . . . . 114 ALA N . 15008 1 1249 . 1 1 115 115 VAL H H 1 8.231 0.001 . 1 . . . . 115 VAL H . 15008 1 1250 . 1 1 115 115 VAL HA H 1 3.309 0.001 . 1 . . . . 115 VAL HA . 15008 1 1251 . 1 1 115 115 VAL HB H 1 2.035 0.001 . 1 . . . . 115 VAL HB . 15008 1 1252 . 1 1 115 115 VAL HG11 H 1 0.727 0.001 . 1 . . . . 115 VAL HG1 . 15008 1 1253 . 1 1 115 115 VAL HG12 H 1 0.727 0.001 . 1 . . . . 115 VAL HG1 . 15008 1 1254 . 1 1 115 115 VAL HG13 H 1 0.727 0.001 . 1 . . . . 115 VAL HG1 . 15008 1 1255 . 1 1 115 115 VAL HG21 H 1 0.225 0.001 . 1 . . . . 115 VAL HG2 . 15008 1 1256 . 1 1 115 115 VAL HG22 H 1 0.225 0.001 . 1 . . . . 115 VAL HG2 . 15008 1 1257 . 1 1 115 115 VAL HG23 H 1 0.225 0.001 . 1 . . . . 115 VAL HG2 . 15008 1 1258 . 1 1 115 115 VAL C C 13 178.976 0.2 . 1 . . . . 115 VAL C . 15008 1 1259 . 1 1 115 115 VAL CA C 13 65.775 0.2 . 1 . . . . 115 VAL CA . 15008 1 1260 . 1 1 115 115 VAL CB C 13 29.156 0.2 . 1 . . . . 115 VAL CB . 15008 1 1261 . 1 1 115 115 VAL CG1 C 13 21.599 0.2 . 2 . . . . 115 VAL CG1 . 15008 1 1262 . 1 1 115 115 VAL CG2 C 13 18.466 0.2 . 2 . . . . 115 VAL CG2 . 15008 1 1263 . 1 1 115 115 VAL N N 15 118.264 0.2 . 1 . . . . 115 VAL N . 15008 1 1264 . 1 1 116 116 LYS H H 1 7.854 0.001 . 1 . . . . 116 LYS H . 15008 1 1265 . 1 1 116 116 LYS HA H 1 3.963 0.001 . 1 . . . . 116 LYS HA . 15008 1 1266 . 1 1 116 116 LYS HB2 H 1 1.69 0.001 . 2 . . . . 116 LYS HB1 . 15008 1 1267 . 1 1 116 116 LYS HB3 H 1 1.874 0.001 . 2 . . . . 116 LYS HB2 . 15008 1 1268 . 1 1 116 116 LYS HE2 H 1 3.008 0.001 . 2 . . . . 116 LYS HE1 . 15008 1 1269 . 1 1 116 116 LYS HE3 H 1 2.952 0.001 . 2 . . . . 116 LYS HE2 . 15008 1 1270 . 1 1 116 116 LYS C C 13 176.093 0.2 . 1 . . . . 116 LYS C . 15008 1 1271 . 1 1 116 116 LYS CA C 13 57.243 0.2 . 1 . . . . 116 LYS CA . 15008 1 1272 . 1 1 116 116 LYS CB C 13 30.026 0.2 . 1 . . . . 116 LYS CB . 15008 1 1273 . 1 1 116 116 LYS CG C 13 23.391 0.2 . 1 . . . . 116 LYS CG . 15008 1 1274 . 1 1 116 116 LYS CD C 13 27.626 0.2 . 1 . . . . 116 LYS CD . 15008 1 1275 . 1 1 116 116 LYS CE C 13 39.625 0.2 . 1 . . . . 116 LYS CE . 15008 1 1276 . 1 1 116 116 LYS N N 15 116.835 0.2 . 1 . . . . 116 LYS N . 15008 1 1277 . 1 1 117 117 LYS H H 1 7.356 0.001 . 1 . . . . 117 LYS H . 15008 1 1278 . 1 1 117 117 LYS HA H 1 3.925 0.001 . 1 . . . . 117 LYS HA . 15008 1 1279 . 1 1 117 117 LYS HB2 H 1 1.614 0.001 . 2 . . . . 117 LYS HB1 . 15008 1 1280 . 1 1 117 117 LYS HG2 H 1 1.222 0.001 . 2 . . . . 117 LYS HG1 . 15008 1 1281 . 1 1 117 117 LYS HG3 H 1 0.845 0.001 . 2 . . . . 117 LYS HG2 . 15008 1 1282 . 1 1 117 117 LYS HD2 H 1 1.379 0.001 . 2 . . . . 117 LYS HD1 . 15008 1 1283 . 1 1 117 117 LYS HE2 H 1 2.716 0.001 . 2 . . . . 117 LYS HE1 . 15008 1 1284 . 1 1 117 117 LYS C C 13 178.957 0.2 . 1 . . . . 117 LYS C . 15008 1 1285 . 1 1 117 117 LYS CA C 13 56.31 0.2 . 1 . . . . 117 LYS CA . 15008 1 1286 . 1 1 117 117 LYS CB C 13 30.126 0.2 . 1 . . . . 117 LYS CB . 15008 1 1287 . 1 1 117 117 LYS CG C 13 22.624 0.2 . 1 . . . . 117 LYS CG . 15008 1 1288 . 1 1 117 117 LYS CD C 13 27.125 0.2 . 1 . . . . 117 LYS CD . 15008 1 1289 . 1 1 117 117 LYS CE C 13 39.705 0.2 . 1 . . . . 117 LYS CE . 15008 1 1290 . 1 1 117 117 LYS N N 15 117.709 0.2 . 1 . . . . 117 LYS N . 15008 1 1291 . 1 1 118 118 TYR H H 1 7.847 0.001 . 1 . . . . 118 TYR H . 15008 1 1292 . 1 1 118 118 TYR HA H 1 4.38 0.001 . 1 . . . . 118 TYR HA . 15008 1 1293 . 1 1 118 118 TYR HB2 H 1 2.408 0.001 . 2 . . . . 118 TYR HB1 . 15008 1 1294 . 1 1 118 118 TYR HB3 H 1 2.536 0.001 . 2 . . . . 118 TYR HB2 . 15008 1 1295 . 1 1 118 118 TYR C C 13 178.654 0.2 . 1 . . . . 118 TYR C . 15008 1 1296 . 1 1 118 118 TYR CA C 13 55.206 0.2 . 1 . . . . 118 TYR CA . 15008 1 1297 . 1 1 118 118 TYR CB C 13 30.086 0.2 . 1 . . . . 118 TYR CB . 15008 1 1298 . 1 1 118 118 TYR N N 15 116.765 0.2 . 1 . . . . 118 TYR N . 15008 1 1299 . 1 1 119 119 LEU H H 1 8.045 0.001 . 1 . . . . 119 LEU H . 15008 1 1300 . 1 1 119 119 LEU CA C 13 62.864 0.2 . 1 . . . . 119 LEU CA . 15008 1 1301 . 1 1 119 119 LEU CB C 13 35.187 0.2 . 1 . . . . 119 LEU CB . 15008 1 1302 . 1 1 119 119 LEU N N 15 122.09 0.2 . 1 . . . . 119 LEU N . 15008 1 1303 . 1 1 120 120 PRO HA H 1 4.472 0.001 . 1 . . . . 120 PRO HA . 15008 1 1304 . 1 1 120 120 PRO HB2 H 1 2.26 0.001 . 2 . . . . 120 PRO HB1 . 15008 1 1305 . 1 1 120 120 PRO HB3 H 1 1.802 0.001 . 2 . . . . 120 PRO HB2 . 15008 1 1306 . 1 1 120 120 PRO HG2 H 1 1.974 0.001 . 2 . . . . 120 PRO HG1 . 15008 1 1307 . 1 1 120 120 PRO HD2 H 1 3.358 0.001 . 2 . . . . 120 PRO HD1 . 15008 1 1308 . 1 1 120 120 PRO HD3 H 1 3.489 0.001 . 2 . . . . 120 PRO HD2 . 15008 1 1309 . 1 1 120 120 PRO C C 13 177.787 0.2 . 1 . . . . 120 PRO C . 15008 1 1310 . 1 1 120 120 PRO CA C 13 61.249 0.2 . 1 . . . . 120 PRO CA . 15008 1 1311 . 1 1 120 120 PRO CB C 13 29.915 0.2 . 1 . . . . 120 PRO CB . 15008 1 1312 . 1 1 120 120 PRO CG C 13 25.258 0.2 . 1 . . . . 120 PRO CG . 15008 1 1313 . 1 1 120 120 PRO CD C 13 47.709 0.2 . 1 . . . . 120 PRO CD . 15008 1 1314 . 1 1 121 121 LEU H H 1 8.241 0.001 . 1 . . . . 121 LEU H . 15008 1 1315 . 1 1 121 121 LEU HA H 1 4.28 0.001 . 1 . . . . 121 LEU HA . 15008 1 1316 . 1 1 121 121 LEU HB2 H 1 1.402 0.001 . 2 . . . . 121 LEU HB1 . 15008 1 1317 . 1 1 121 121 LEU HB3 H 1 1.492 0.001 . 2 . . . . 121 LEU HB2 . 15008 1 1318 . 1 1 121 121 LEU HD11 H 1 0.488 0.001 . 1 . . . . 121 LEU HD1 . 15008 1 1319 . 1 1 121 121 LEU HD12 H 1 0.488 0.001 . 1 . . . . 121 LEU HD1 . 15008 1 1320 . 1 1 121 121 LEU HD13 H 1 0.488 0.001 . 1 . . . . 121 LEU HD1 . 15008 1 1321 . 1 1 121 121 LEU C C 13 178.599 0.2 . 1 . . . . 121 LEU C . 15008 1 1322 . 1 1 121 121 LEU CA C 13 52.829 0.2 . 1 . . . . 121 LEU CA . 15008 1 1323 . 1 1 121 121 LEU CB C 13 40.313 0.2 . 1 . . . . 121 LEU CB . 15008 1 1324 . 1 1 121 121 LEU CG C 13 24.53 0.2 . 1 . . . . 121 LEU CG . 15008 1 1325 . 1 1 121 121 LEU CD1 C 13 22.973 0.2 . 2 . . . . 121 LEU CD1 . 15008 1 1326 . 1 1 121 121 LEU CD2 C 13 21.5 0.2 . 2 . . . . 121 LEU CD2 . 15008 1 1327 . 1 1 121 121 LEU N N 15 123.962 0.2 . 1 . . . . 121 LEU N . 15008 1 1328 . 1 1 122 122 LYS H H 1 8.614 0.001 . 1 . . . . 122 LYS H . 15008 1 1329 . 1 1 122 122 LYS HA H 1 4.198 0.001 . 1 . . . . 122 LYS HA . 15008 1 1330 . 1 1 122 122 LYS HB2 H 1 1.796 0.001 . 2 . . . . 122 LYS HB1 . 15008 1 1331 . 1 1 122 122 LYS HG2 H 1 1.397 0.001 . 2 . . . . 122 LYS HG1 . 15008 1 1332 . 1 1 122 122 LYS HD2 H 1 1.652 0.001 . 2 . . . . 122 LYS HD1 . 15008 1 1333 . 1 1 122 122 LYS HE2 H 1 2.952 0.001 . 2 . . . . 122 LYS HE1 . 15008 1 1334 . 1 1 122 122 LYS C C 13 177.618 0.2 . 1 . . . . 122 LYS C . 15008 1 1335 . 1 1 122 122 LYS CA C 13 54.942 0.2 . 1 . . . . 122 LYS CA . 15008 1 1336 . 1 1 122 122 LYS CB C 13 30.735 0.2 . 1 . . . . 122 LYS CB . 15008 1 1337 . 1 1 122 122 LYS CG C 13 22.751 0.2 . 1 . . . . 122 LYS CG . 15008 1 1338 . 1 1 122 122 LYS CD C 13 26.745 0.2 . 1 . . . . 122 LYS CD . 15008 1 1339 . 1 1 122 122 LYS CE C 13 39.621 0.2 . 1 . . . . 122 LYS CE . 15008 1 1340 . 1 1 122 122 LYS N N 15 124.416 0.2 . 1 . . . . 122 LYS N . 15008 1 1341 . 1 1 123 123 SER H H 1 8.568 0.001 . 1 . . . . 123 SER H . 15008 1 1342 . 1 1 123 123 SER HA H 1 3.834 0.001 . 1 . . . . 123 SER HA . 15008 1 1343 . 1 1 123 123 SER HB2 H 1 4.31 0.001 . 2 . . . . 123 SER HB1 . 15008 1 1344 . 1 1 123 123 SER C C 13 175.474 0.2 . 1 . . . . 123 SER C . 15008 1 1345 . 1 1 123 123 SER CA C 13 56.676 0.2 . 1 . . . . 123 SER CA . 15008 1 1346 . 1 1 123 123 SER CB C 13 61.438 0.2 . 1 . . . . 123 SER CB . 15008 1 1347 . 1 1 123 123 SER N N 15 116.428 0.2 . 1 . . . . 123 SER N . 15008 1 1348 . 1 1 124 124 ASN H H 1 8.117 0.001 . 1 . . . . 124 ASN H . 15008 1 1349 . 1 1 124 124 ASN C C 13 178.037 0.2 . 1 . . . . 124 ASN C . 15008 1 1350 . 1 1 124 124 ASN CA C 13 53.48 0.2 . 1 . . . . 124 ASN CA . 15008 1 1351 . 1 1 124 124 ASN CB C 13 40.26 0.2 . 1 . . . . 124 ASN CB . 15008 1 1352 . 1 1 124 124 ASN N N 15 123.738 0.2 . 1 . . . . 124 ASN N . 15008 1 1353 . 1 1 125 125 LEU HA H 1 4.283 0.001 . 1 . . . . 125 LEU HA . 15008 1 1354 . 1 1 125 125 LEU HB2 H 1 1.57 0.001 . 2 . . . . 125 LEU HB1 . 15008 1 1355 . 1 1 125 125 LEU HD11 H 1 0.803 0.001 . 1 . . . . 125 LEU HD1 . 15008 1 1356 . 1 1 125 125 LEU HD12 H 1 0.803 0.001 . 1 . . . . 125 LEU HD1 . 15008 1 1357 . 1 1 125 125 LEU HD13 H 1 0.803 0.001 . 1 . . . . 125 LEU HD1 . 15008 1 1358 . 1 1 125 125 LEU HD21 H 1 0.882 0.001 . 1 . . . . 125 LEU HD2 . 15008 1 1359 . 1 1 125 125 LEU HD22 H 1 0.882 0.001 . 1 . . . . 125 LEU HD2 . 15008 1 1360 . 1 1 125 125 LEU HD23 H 1 0.882 0.001 . 1 . . . . 125 LEU HD2 . 15008 1 1361 . 1 1 125 125 LEU C C 13 176.836 0.2 . 1 . . . . 125 LEU C . 15008 1 1362 . 1 1 125 125 LEU CA C 13 53.383 0.2 . 1 . . . . 125 LEU CA . 15008 1 1363 . 1 1 125 125 LEU CB C 13 40.138 0.2 . 1 . . . . 125 LEU CB . 15008 1 1364 . 1 1 125 125 LEU CG C 13 24.724 0.2 . 1 . . . . 125 LEU CG . 15008 1 1365 . 1 1 125 125 LEU CD1 C 13 21.207 0.2 . 2 . . . . 125 LEU CD1 . 15008 1 1366 . 1 1 125 125 LEU CD2 C 13 23.024 0.2 . 2 . . . . 125 LEU CD2 . 15008 1 1367 . 1 1 126 126 GLU H H 1 8.146 0.001 . 1 . . . . 126 GLU H . 15008 1 1368 . 1 1 126 126 GLU HA H 1 4.103 0.001 . 1 . . . . 126 GLU HA . 15008 1 1369 . 1 1 126 126 GLU HB2 H 1 1.863 0.001 . 2 . . . . 126 GLU HB1 . 15008 1 1370 . 1 1 126 126 GLU HG2 H 1 2.166 0.001 . 2 . . . . 126 GLU HG1 . 15008 1 1371 . 1 1 126 126 GLU HG3 H 1 2.089 0.001 . 2 . . . . 126 GLU HG2 . 15008 1 1372 . 1 1 126 126 GLU CA C 13 54.687 0.2 . 1 . . . . 126 GLU CA . 15008 1 1373 . 1 1 126 126 GLU CB C 13 27.728 0.2 . 1 . . . . 126 GLU CB . 15008 1 1374 . 1 1 126 126 GLU CG C 13 33.982 0.2 . 1 . . . . 126 GLU CG . 15008 1 1375 . 1 1 126 126 GLU N N 15 120.775 0.2 . 1 . . . . 126 GLU N . 15008 1 1376 . 1 1 127 127 HIS H H 1 8.14 0.001 . 1 . . . . 127 HIS H . 15008 1 1377 . 1 1 127 127 HIS HA H 1 4.473 0.001 . 1 . . . . 127 HIS HA . 15008 1 1378 . 1 1 127 127 HIS HB2 H 1 2.995 0.001 . 2 . . . . 127 HIS HB1 . 15008 1 1379 . 1 1 127 127 HIS HB3 H 1 2.52 0.001 . 2 . . . . 127 HIS HB2 . 15008 1 1380 . 1 1 127 127 HIS CA C 13 57.765 0.2 . 1 . . . . 127 HIS CA . 15008 1 1381 . 1 1 127 127 HIS CB C 13 37.138 0.2 . 1 . . . . 127 HIS CB . 15008 1 1382 . 1 1 127 127 HIS N N 15 119.633 0.2 . 1 . . . . 127 HIS N . 15008 1 1383 . 1 1 128 128 HIS H H 1 8.531 0.001 . 1 . . . . 128 HIS H . 15008 1 1384 . 1 1 128 128 HIS N N 15 122.089 0.2 . 1 . . . . 128 HIS N . 15008 1 1385 . 1 1 131 131 HIS HA H 1 4.544 0.001 . 1 . . . . 131 HIS HA . 15008 1 1386 . 1 1 131 131 HIS HB2 H 1 2.954 0.001 . 2 . . . . 131 HIS HB1 . 15008 1 1387 . 1 1 131 131 HIS HB3 H 1 3.014 0.001 . 2 . . . . 131 HIS HB2 . 15008 1 1388 . 1 1 131 131 HIS CA C 13 53.939 0.2 . 1 . . . . 131 HIS CA . 15008 1 1389 . 1 1 131 131 HIS CB C 13 28.353 0.2 . 1 . . . . 131 HIS CB . 15008 1 1390 . 1 1 132 132 HIS H H 1 7.978 0.001 . 1 . . . . 132 HIS H . 15008 1 1391 . 1 1 132 132 HIS HA H 1 4.745 0.001 . 1 . . . . 132 HIS HA . 15008 1 1392 . 1 1 132 132 HIS N N 15 125.827 0.2 . 1 . . . . 132 HIS N . 15008 1 stop_ save_