data_15011 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15011 _Entry.Title ; Backbone and Side Chain 1H, 13C and 15N Chemical Shift Assignments for Sporulation phosphotransferase F mutant Y13A ; _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 'Spo0F mutant Y13A' _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. . 15011 2 Benjamin Bobay . G. . 15011 3 Erin Regel . J. . 15011 4 Richele Thompson . J. . 15011 5 James Hoch . A. . 15011 6 John Cavanagh . . . 15011 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15011 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 545 15011 '15N chemical shifts' 128 15011 '1H chemical shifts' 894 15011 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 . 15011 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15008 'Spo0F H101A mutant' 15011 BMRB 15009 'Spo0F I90A mutant' 15011 BMRB 15010 'Spo0F L66A mutant' 15011 PDB 1FSP 'Strucutral coordinates of wild-type Spo0F from Bacillus subtilis' 15011 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15011 _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 425 _Citation.Page_last 429 _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. . 15011 1 2 Benjamin Bobay . G. . 15011 1 3 Erin Regel . J. . 15011 1 4 Richele Thompson . J. . 15011 1 5 James Hoch . A. . 15011 1 6 John Cavanagh . . . 15011 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID mutant 15011 1 Spo0F 15011 1 sporulation 15011 1 'surface recognition' 15011 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15011 _Assembly.ID 1 _Assembly.Name 'Spo0FY13A 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 'Spo0FY13A monomer' 1 $Spo0FY13A A . yes native no no . . . 15011 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 Spo0F' . 15011 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID Phosphotransferase 15011 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Spo0FY13A _Entity.Sf_category entity _Entity.Sf_framecode Spo0FY13A _Entity.Entry_ID 15011 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Spo0FY13A _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 ; MMNEKILIVDDQAGIRILLN EVFNKEGYQTFQAANGLQAL DIVTKERPDLVLLDMKIPGM DGIEILKRMKVIDENIRVII MTAYGELDMIQESKELGALT HFAKPFDIDEIRDAVKKYLP 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 Y13A _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 15008 . Spo0FH101A . . . . . 100.00 132 98.48 98.48 1.21e-86 . . . . 15011 1 2 no BMRB 15009 . Spo0FI90A . . . . . 100.00 144 98.48 98.48 7.58e-87 . . . . 15011 1 3 no BMRB 15010 . Spo0FL66A . . . . . 100.00 132 98.48 98.48 4.49e-87 . . . . 15011 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 99.16 100.00 1.96e-77 . . . . 15011 1 5 no PDB 1FSP . "Nmr Solution Structure Of Bacillus Subtilis Spo0f Protein, 20 Structures" . . . . . 93.94 124 99.19 99.19 8.89e-81 . . . . 15011 1 6 no PDB 1NAT . "Crystal Structure Of Spoof From Bacillus Subtilis" . . . . . 93.94 124 99.19 99.19 8.89e-81 . . . . 15011 1 7 no PDB 1PEY . "Crystal Structure Of The Response Regulator Spo0f Complexed With Mn2+" . . . . . 93.94 124 99.19 100.00 1.53e-81 . . . . 15011 1 8 no PDB 1PUX . "Nmr Solution Structure Of Bef3-Activated Spo0f, 20 Conformers" . . . . . 93.94 124 99.19 99.19 8.89e-81 . . . . 15011 1 9 no PDB 1SRR . "Crystal Structure Of A Phosphatase Resistant Mutant Of Sporulation Response Regulator Spo0f From Bacillus Subtilis" . . . . . 93.94 124 99.19 100.00 1.53e-81 . . . . 15011 1 10 no PDB 2FSP . "Nmr Solution Structure Of Bacillus Subtilis Spo0f Protein, Minimized Average Structure" . . . . . 93.94 124 99.19 99.19 8.89e-81 . . . . 15011 1 11 no PDB 2FTK . "Berylloflouride Spo0f Complex With Spo0b" . . . . . 93.94 124 98.39 99.19 2.35e-80 . . . . 15011 1 12 no PDB 2JVI . "Nmr Solution Structure Of The Hyper-Sporulation Response Regulator Spo0f Mutant H101a From Bacillus Subtilis" . . . . . 100.00 132 98.48 98.48 1.21e-86 . . . . 15011 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 3.57e-87 . . . . 15011 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 4.49e-87 . . . . 15011 1 15 no PDB 3Q15 . "Crystal Structure Of Raph Complexed With Spo0f" . . . . . 93.94 126 99.19 99.19 6.33e-81 . . . . 15011 1 16 no DBJ BAI87374 . "two-component response regulator [Bacillus subtilis subsp. natto BEST195]" . . . . . 93.94 124 99.19 99.19 8.89e-81 . . . . 15011 1 17 no DBJ BAM55796 . "two-component response regulator [Bacillus subtilis BEST7613]" . . . . . 93.18 123 99.19 99.19 5.62e-80 . . . . 15011 1 18 no DBJ BAM59808 . "two-component response regulator [Bacillus subtilis BEST7003]" . . . . . 93.18 123 99.19 99.19 5.62e-80 . . . . 15011 1 19 no DBJ GAK81027 . "two-component response regulator [Bacillus subtilis Miyagi-4]" . . . . . 93.94 124 99.19 99.19 8.89e-81 . . . . 15011 1 20 no EMBL CAA27217 . "unnamed protein product [Bacillus subtilis]" . . . . . 93.94 124 99.19 99.19 8.89e-81 . . . . 15011 1 21 no EMBL CAA89872 . "spo0F [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 93.94 124 99.19 99.19 8.89e-81 . . . . 15011 1 22 no EMBL CAB15730 . "two-component response regulator [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 93.94 124 99.19 99.19 8.89e-81 . . . . 15011 1 23 no EMBL CCU60811 . "Sporulation initiation phosphotransferase (Spo0F) [Bacillus subtilis E1]" . . . . . 93.94 124 99.19 99.19 8.89e-81 . . . . 15011 1 24 no EMBL CEI59521 . "sporulation initiation phosphotransferase F [Bacillus subtilis]" . . . . . 93.94 124 99.19 99.19 8.89e-81 . . . . 15011 1 25 no GB AAA16802 . "spo0F [Bacillus subtilis]" . . . . . 93.94 124 99.19 99.19 8.89e-81 . . . . 15011 1 26 no GB AAA22787 . "Spo0F protein [Bacillus subtilis]" . . . . . 93.94 124 99.19 99.19 8.89e-81 . . . . 15011 1 27 no GB ADM39703 . "two-component response regulator [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 93.18 123 99.19 99.19 5.62e-80 . . . . 15011 1 28 no GB ADP34224 . "two-component response regulator [Bacillus atrophaeus 1942]" . . . . . 93.18 123 97.56 99.19 1.04e-78 . . . . 15011 1 29 no GB ADV94523 . "two-component response regulator [Bacillus subtilis BSn5]" . . . . . 93.18 123 99.19 99.19 5.62e-80 . . . . 15011 1 30 no PRF 1306301A . "spo0F gene" . . . . . 93.94 123 98.39 98.39 2.11e-78 . . . . 15011 1 31 no REF NP_391594 . "sporulation initiation phosphotransferase F [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 93.94 124 99.19 99.19 8.89e-81 . . . . 15011 1 32 no REF WP_003221952 . "MULTISPECIES: two-component system response regulator [Bacillales]" . . . . . 93.18 123 99.19 99.19 5.62e-80 . . . . 15011 1 33 no REF WP_003227621 . "two-component system response regulator [Bacillus subtilis]" . . . . . 93.94 124 99.19 99.19 8.89e-81 . . . . 15011 1 34 no REF WP_010328945 . "MULTISPECIES: two-component system response regulator [Bacillus]" . . . . . 93.18 123 97.56 99.19 1.54e-78 . . . . 15011 1 35 no REF WP_013390680 . "two-component system response regulator [Bacillus atrophaeus]" . . . . . 93.18 123 97.56 99.19 1.04e-78 . . . . 15011 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 8.89e-81 . . . . 15011 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 . 15011 1 2 . MET . 15011 1 3 . ASN . 15011 1 4 . GLU . 15011 1 5 . LYS . 15011 1 6 . ILE . 15011 1 7 . LEU . 15011 1 8 . ILE . 15011 1 9 . VAL . 15011 1 10 . ASP . 15011 1 11 . ASP . 15011 1 12 . GLN . 15011 1 13 . ALA . 15011 1 14 . GLY . 15011 1 15 . ILE . 15011 1 16 . ARG . 15011 1 17 . ILE . 15011 1 18 . LEU . 15011 1 19 . LEU . 15011 1 20 . ASN . 15011 1 21 . GLU . 15011 1 22 . VAL . 15011 1 23 . PHE . 15011 1 24 . ASN . 15011 1 25 . LYS . 15011 1 26 . GLU . 15011 1 27 . GLY . 15011 1 28 . TYR . 15011 1 29 . GLN . 15011 1 30 . THR . 15011 1 31 . PHE . 15011 1 32 . GLN . 15011 1 33 . ALA . 15011 1 34 . ALA . 15011 1 35 . ASN . 15011 1 36 . GLY . 15011 1 37 . LEU . 15011 1 38 . GLN . 15011 1 39 . ALA . 15011 1 40 . LEU . 15011 1 41 . ASP . 15011 1 42 . ILE . 15011 1 43 . VAL . 15011 1 44 . THR . 15011 1 45 . LYS . 15011 1 46 . GLU . 15011 1 47 . ARG . 15011 1 48 . PRO . 15011 1 49 . ASP . 15011 1 50 . LEU . 15011 1 51 . VAL . 15011 1 52 . LEU . 15011 1 53 . LEU . 15011 1 54 . ASP . 15011 1 55 . MET . 15011 1 56 . LYS . 15011 1 57 . ILE . 15011 1 58 . PRO . 15011 1 59 . GLY . 15011 1 60 . MET . 15011 1 61 . ASP . 15011 1 62 . GLY . 15011 1 63 . ILE . 15011 1 64 . GLU . 15011 1 65 . ILE . 15011 1 66 . LEU . 15011 1 67 . LYS . 15011 1 68 . ARG . 15011 1 69 . MET . 15011 1 70 . LYS . 15011 1 71 . VAL . 15011 1 72 . ILE . 15011 1 73 . ASP . 15011 1 74 . GLU . 15011 1 75 . ASN . 15011 1 76 . ILE . 15011 1 77 . ARG . 15011 1 78 . VAL . 15011 1 79 . ILE . 15011 1 80 . ILE . 15011 1 81 . MET . 15011 1 82 . THR . 15011 1 83 . ALA . 15011 1 84 . TYR . 15011 1 85 . GLY . 15011 1 86 . GLU . 15011 1 87 . LEU . 15011 1 88 . ASP . 15011 1 89 . MET . 15011 1 90 . ILE . 15011 1 91 . GLN . 15011 1 92 . GLU . 15011 1 93 . SER . 15011 1 94 . LYS . 15011 1 95 . GLU . 15011 1 96 . LEU . 15011 1 97 . GLY . 15011 1 98 . ALA . 15011 1 99 . LEU . 15011 1 100 . THR . 15011 1 101 . HIS . 15011 1 102 . PHE . 15011 1 103 . ALA . 15011 1 104 . LYS . 15011 1 105 . PRO . 15011 1 106 . PHE . 15011 1 107 . ASP . 15011 1 108 . ILE . 15011 1 109 . ASP . 15011 1 110 . GLU . 15011 1 111 . ILE . 15011 1 112 . ARG . 15011 1 113 . ASP . 15011 1 114 . ALA . 15011 1 115 . VAL . 15011 1 116 . LYS . 15011 1 117 . LYS . 15011 1 118 . TYR . 15011 1 119 . LEU . 15011 1 120 . PRO . 15011 1 121 . LEU . 15011 1 122 . LYS . 15011 1 123 . SER . 15011 1 124 . ASN . 15011 1 125 . LEU . 15011 1 126 . GLU . 15011 1 127 . HIS . 15011 1 128 . HIS . 15011 1 129 . HIS . 15011 1 130 . HIS . 15011 1 131 . HIS . 15011 1 132 . HIS . 15011 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 15011 1 . MET 2 2 15011 1 . ASN 3 3 15011 1 . GLU 4 4 15011 1 . LYS 5 5 15011 1 . ILE 6 6 15011 1 . LEU 7 7 15011 1 . ILE 8 8 15011 1 . VAL 9 9 15011 1 . ASP 10 10 15011 1 . ASP 11 11 15011 1 . GLN 12 12 15011 1 . ALA 13 13 15011 1 . GLY 14 14 15011 1 . ILE 15 15 15011 1 . ARG 16 16 15011 1 . ILE 17 17 15011 1 . LEU 18 18 15011 1 . LEU 19 19 15011 1 . ASN 20 20 15011 1 . GLU 21 21 15011 1 . VAL 22 22 15011 1 . PHE 23 23 15011 1 . ASN 24 24 15011 1 . LYS 25 25 15011 1 . GLU 26 26 15011 1 . GLY 27 27 15011 1 . TYR 28 28 15011 1 . GLN 29 29 15011 1 . THR 30 30 15011 1 . PHE 31 31 15011 1 . GLN 32 32 15011 1 . ALA 33 33 15011 1 . ALA 34 34 15011 1 . ASN 35 35 15011 1 . GLY 36 36 15011 1 . LEU 37 37 15011 1 . GLN 38 38 15011 1 . ALA 39 39 15011 1 . LEU 40 40 15011 1 . ASP 41 41 15011 1 . ILE 42 42 15011 1 . VAL 43 43 15011 1 . THR 44 44 15011 1 . LYS 45 45 15011 1 . GLU 46 46 15011 1 . ARG 47 47 15011 1 . PRO 48 48 15011 1 . ASP 49 49 15011 1 . LEU 50 50 15011 1 . VAL 51 51 15011 1 . LEU 52 52 15011 1 . LEU 53 53 15011 1 . ASP 54 54 15011 1 . MET 55 55 15011 1 . LYS 56 56 15011 1 . ILE 57 57 15011 1 . PRO 58 58 15011 1 . GLY 59 59 15011 1 . MET 60 60 15011 1 . ASP 61 61 15011 1 . GLY 62 62 15011 1 . ILE 63 63 15011 1 . GLU 64 64 15011 1 . ILE 65 65 15011 1 . LEU 66 66 15011 1 . LYS 67 67 15011 1 . ARG 68 68 15011 1 . MET 69 69 15011 1 . LYS 70 70 15011 1 . VAL 71 71 15011 1 . ILE 72 72 15011 1 . ASP 73 73 15011 1 . GLU 74 74 15011 1 . ASN 75 75 15011 1 . ILE 76 76 15011 1 . ARG 77 77 15011 1 . VAL 78 78 15011 1 . ILE 79 79 15011 1 . ILE 80 80 15011 1 . MET 81 81 15011 1 . THR 82 82 15011 1 . ALA 83 83 15011 1 . TYR 84 84 15011 1 . GLY 85 85 15011 1 . GLU 86 86 15011 1 . LEU 87 87 15011 1 . ASP 88 88 15011 1 . MET 89 89 15011 1 . ILE 90 90 15011 1 . GLN 91 91 15011 1 . GLU 92 92 15011 1 . SER 93 93 15011 1 . LYS 94 94 15011 1 . GLU 95 95 15011 1 . LEU 96 96 15011 1 . GLY 97 97 15011 1 . ALA 98 98 15011 1 . LEU 99 99 15011 1 . THR 100 100 15011 1 . HIS 101 101 15011 1 . PHE 102 102 15011 1 . ALA 103 103 15011 1 . LYS 104 104 15011 1 . PRO 105 105 15011 1 . PHE 106 106 15011 1 . ASP 107 107 15011 1 . ILE 108 108 15011 1 . ASP 109 109 15011 1 . GLU 110 110 15011 1 . ILE 111 111 15011 1 . ARG 112 112 15011 1 . ASP 113 113 15011 1 . ALA 114 114 15011 1 . VAL 115 115 15011 1 . LYS 116 116 15011 1 . LYS 117 117 15011 1 . TYR 118 118 15011 1 . LEU 119 119 15011 1 . PRO 120 120 15011 1 . LEU 121 121 15011 1 . LYS 122 122 15011 1 . SER 123 123 15011 1 . ASN 124 124 15011 1 . LEU 125 125 15011 1 . GLU 126 126 15011 1 . HIS 127 127 15011 1 . HIS 128 128 15011 1 . HIS 129 129 15011 1 . HIS 130 130 15011 1 . HIS 131 131 15011 1 . HIS 132 132 15011 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 15011 _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 $Spo0FY13A . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 15011 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 15011 _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 $Spo0FY13A . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . pET23 . . . . . . 15011 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15011 _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 Spo0FY13A '[U-99% 13C; U-99% 15N]' . . 1 $Spo0FY13A . . . 1.0 2.0 mM . . . . 15011 1 2 TRIS none . . . . . . 25 . . mM . . . . 15011 1 3 'potassium chloride' none . . . . . . 50 . . mM . . . . 15011 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 15011 _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 15011 1 pH 6.9 . pH 15011 1 pressure 1 . atm 15011 1 temperature 298 . K 15011 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15011 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'B Johnson, One Moon Scientific' . . 15011 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15011 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 15011 _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 15011 _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 . . . 15011 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 15011 _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 . . . . . . . . . . . . . . . . 15011 1 2 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15011 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15011 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15011 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15011 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15011 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15011 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15011 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 15011 _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 15011 1 H 1 water protons . . . . ppm 4.74 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 15011 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal direct 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15011 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 15011 _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 . 15011 1 2 '3D C(CO)NH' 1 $sample_1 . 15011 1 3 '3D HNCO' 1 $sample_1 . 15011 1 4 '3D HNCA' 1 $sample_1 . 15011 1 5 '3D HN(CO)CA' 1 $sample_1 . 15011 1 6 '3D H(CCO)NH' 1 $sample_1 . 15011 1 7 '3D HN(CA)CO' 1 $sample_1 . 15011 1 8 '3D HNCACB' 1 $sample_1 . 15011 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 . 15011 1 2 . 1 1 2 2 MET HB2 H 1 2.145 0.001 . 2 . . . . 2 MET HB1 . 15011 1 3 . 1 1 2 2 MET HB3 H 1 2.01 0.001 . 2 . . . . 2 MET HB2 . 15011 1 4 . 1 1 2 2 MET HG2 H 1 2.501 0.001 . 2 . . . . 2 MET HG1 . 15011 1 5 . 1 1 2 2 MET HG3 H 1 2.545 0.001 . 2 . . . . 2 MET HG2 . 15011 1 6 . 1 1 2 2 MET C C 13 175.078 0.2 . 1 . . . . 2 MET C . 15011 1 7 . 1 1 2 2 MET CA C 13 53.833 0.2 . 1 . . . . 2 MET CA . 15011 1 8 . 1 1 2 2 MET CB C 13 30.231 0.2 . 1 . . . . 2 MET CB . 15011 1 9 . 1 1 3 3 ASN H H 1 8.448 0.001 . 1 . . . . 3 ASN H . 15011 1 10 . 1 1 3 3 ASN HA H 1 4.501 0.001 . 1 . . . . 3 ASN HA . 15011 1 11 . 1 1 3 3 ASN HB2 H 1 2.874 0.001 . 2 . . . . 3 ASN HB1 . 15011 1 12 . 1 1 3 3 ASN HD21 H 1 7.74 0.001 . 2 . . . . 3 ASN HD21 . 15011 1 13 . 1 1 3 3 ASN HD22 H 1 7.007 0.001 . 2 . . . . 3 ASN HD22 . 15011 1 14 . 1 1 3 3 ASN C C 13 174.008 0.2 . 1 . . . . 3 ASN C . 15011 1 15 . 1 1 3 3 ASN CA C 13 51.755 0.2 . 1 . . . . 3 ASN CA . 15011 1 16 . 1 1 3 3 ASN CB C 13 36.448 0.2 . 1 . . . . 3 ASN CB . 15011 1 17 . 1 1 3 3 ASN N N 15 117.767 0.2 . 1 . . . . 3 ASN N . 15011 1 18 . 1 1 3 3 ASN ND2 N 15 112.815 0.2 . 1 . . . . 3 ASN ND2 . 15011 1 19 . 1 1 4 4 GLU H H 1 8.502 0.001 . 1 . . . . 4 GLU H . 15011 1 20 . 1 1 4 4 GLU HA H 1 4.353 0.001 . 1 . . . . 4 GLU HA . 15011 1 21 . 1 1 4 4 GLU HB2 H 1 2.039 0.001 . 2 . . . . 4 GLU HB1 . 15011 1 22 . 1 1 4 4 GLU HB3 H 1 1.85 0.001 . 2 . . . . 4 GLU HB2 . 15011 1 23 . 1 1 4 4 GLU HG2 H 1 2.442 0.001 . 2 . . . . 4 GLU HG1 . 15011 1 24 . 1 1 4 4 GLU HG3 H 1 2.327 0.001 . 2 . . . . 4 GLU HG2 . 15011 1 25 . 1 1 4 4 GLU C C 13 175.848 0.2 . 1 . . . . 4 GLU C . 15011 1 26 . 1 1 4 4 GLU CA C 13 56.452 0.2 . 1 . . . . 4 GLU CA . 15011 1 27 . 1 1 4 4 GLU CB C 13 28.927 0.2 . 1 . . . . 4 GLU CB . 15011 1 28 . 1 1 4 4 GLU CG C 13 35.678 0.2 . 1 . . . . 4 GLU CG . 15011 1 29 . 1 1 4 4 GLU N N 15 119.813 0.2 . 1 . . . . 4 GLU N . 15011 1 30 . 1 1 5 5 LYS H H 1 9.269 0.001 . 1 . . . . 5 LYS H . 15011 1 31 . 1 1 5 5 LYS HA H 1 5.5 0.001 . 1 . . . . 5 LYS HA . 15011 1 32 . 1 1 5 5 LYS HB2 H 1 1.945 0.001 . 2 . . . . 5 LYS HB1 . 15011 1 33 . 1 1 5 5 LYS HB3 H 1 1.272 0.001 . 2 . . . . 5 LYS HB2 . 15011 1 34 . 1 1 5 5 LYS HG2 H 1 1.464 0.001 . 2 . . . . 5 LYS HG1 . 15011 1 35 . 1 1 5 5 LYS HG3 H 1 1.777 0.001 . 2 . . . . 5 LYS HG2 . 15011 1 36 . 1 1 5 5 LYS HD2 H 1 1.629 0.001 . 2 . . . . 5 LYS HD1 . 15011 1 37 . 1 1 5 5 LYS HE2 H 1 3.038 0.001 . 2 . . . . 5 LYS HE1 . 15011 1 38 . 1 1 5 5 LYS HE3 H 1 2.882 0.001 . 2 . . . . 5 LYS HE2 . 15011 1 39 . 1 1 5 5 LYS C C 13 176.205 0.2 . 1 . . . . 5 LYS C . 15011 1 40 . 1 1 5 5 LYS CA C 13 53.294 0.2 . 1 . . . . 5 LYS CA . 15011 1 41 . 1 1 5 5 LYS CB C 13 35.289 0.2 . 1 . . . . 5 LYS CB . 15011 1 42 . 1 1 5 5 LYS CG C 13 22.662 0.2 . 1 . . . . 5 LYS CG . 15011 1 43 . 1 1 5 5 LYS CD C 13 27.873 0.2 . 1 . . . . 5 LYS CD . 15011 1 44 . 1 1 5 5 LYS CE C 13 40.158 0.2 . 1 . . . . 5 LYS CE . 15011 1 45 . 1 1 5 5 LYS N N 15 120.64 0.2 . 1 . . . . 5 LYS N . 15011 1 46 . 1 1 6 6 ILE H H 1 8.891 0.001 . 1 . . . . 6 ILE H . 15011 1 47 . 1 1 6 6 ILE HA H 1 4.908 0.001 . 1 . . . . 6 ILE HA . 15011 1 48 . 1 1 6 6 ILE HB H 1 1.222 0.001 . 1 . . . . 6 ILE HB . 15011 1 49 . 1 1 6 6 ILE HG12 H 1 1.021 0.001 . 2 . . . . 6 ILE HG11 . 15011 1 50 . 1 1 6 6 ILE HG13 H 1 0.359 0.001 . 2 . . . . 6 ILE HG12 . 15011 1 51 . 1 1 6 6 ILE HG21 H 1 0.332 0.001 . 1 . . . . 6 ILE HG2 . 15011 1 52 . 1 1 6 6 ILE HG22 H 1 0.332 0.001 . 1 . . . . 6 ILE HG2 . 15011 1 53 . 1 1 6 6 ILE HG23 H 1 0.332 0.001 . 1 . . . . 6 ILE HG2 . 15011 1 54 . 1 1 6 6 ILE HD11 H 1 -0.645 0.001 . 1 . . . . 6 ILE HD1 . 15011 1 55 . 1 1 6 6 ILE HD12 H 1 -0.645 0.001 . 1 . . . . 6 ILE HD1 . 15011 1 56 . 1 1 6 6 ILE HD13 H 1 -0.645 0.001 . 1 . . . . 6 ILE HD1 . 15011 1 57 . 1 1 6 6 ILE C C 13 174.272 0.2 . 1 . . . . 6 ILE C . 15011 1 58 . 1 1 6 6 ILE CA C 13 57.659 0.2 . 1 . . . . 6 ILE CA . 15011 1 59 . 1 1 6 6 ILE CB C 13 40.234 0.2 . 1 . . . . 6 ILE CB . 15011 1 60 . 1 1 6 6 ILE CG1 C 13 25.136 0.2 . 1 . . . . 6 ILE CG1 . 15011 1 61 . 1 1 6 6 ILE CG2 C 13 14.688 0.2 . 1 . . . . 6 ILE CG2 . 15011 1 62 . 1 1 6 6 ILE CD1 C 13 11.26 0.2 . 1 . . . . 6 ILE CD1 . 15011 1 63 . 1 1 6 6 ILE N N 15 122.121 0.2 . 1 . . . . 6 ILE N . 15011 1 64 . 1 1 7 7 LEU H H 1 8.783 0.001 . 1 . . . . 7 LEU H . 15011 1 65 . 1 1 7 7 LEU HA H 1 5.169 0.001 . 1 . . . . 7 LEU HA . 15011 1 66 . 1 1 7 7 LEU HB2 H 1 1.774 0.001 . 2 . . . . 7 LEU HB1 . 15011 1 67 . 1 1 7 7 LEU HB3 H 1 1.049 0.001 . 2 . . . . 7 LEU HB2 . 15011 1 68 . 1 1 7 7 LEU HG H 1 1.056 0.001 . 1 . . . . 7 LEU HG . 15011 1 69 . 1 1 7 7 LEU HD11 H 1 0.713 0.001 . 1 . . . . 7 LEU HD1 . 15011 1 70 . 1 1 7 7 LEU HD12 H 1 0.713 0.001 . 1 . . . . 7 LEU HD1 . 15011 1 71 . 1 1 7 7 LEU HD13 H 1 0.713 0.001 . 1 . . . . 7 LEU HD1 . 15011 1 72 . 1 1 7 7 LEU HD21 H 1 0.732 0.001 . 1 . . . . 7 LEU HD2 . 15011 1 73 . 1 1 7 7 LEU HD22 H 1 0.732 0.001 . 1 . . . . 7 LEU HD2 . 15011 1 74 . 1 1 7 7 LEU HD23 H 1 0.732 0.001 . 1 . . . . 7 LEU HD2 . 15011 1 75 . 1 1 7 7 LEU C C 13 173.194 0.2 . 1 . . . . 7 LEU C . 15011 1 76 . 1 1 7 7 LEU CA C 13 50.595 0.2 . 1 . . . . 7 LEU CA . 15011 1 77 . 1 1 7 7 LEU CB C 13 42.87 0.2 . 1 . . . . 7 LEU CB . 15011 1 78 . 1 1 7 7 LEU CG C 13 21.44 0.2 . 1 . . . . 7 LEU CG . 15011 1 79 . 1 1 7 7 LEU CD1 C 13 25.394 0.2 . 2 . . . . 7 LEU CD1 . 15011 1 80 . 1 1 7 7 LEU N N 15 128.021 0.2 . 1 . . . . 7 LEU N . 15011 1 81 . 1 1 8 8 ILE H H 1 9.056 0.001 . 1 . . . . 8 ILE H . 15011 1 82 . 1 1 8 8 ILE HA H 1 4.399 0.001 . 1 . . . . 8 ILE HA . 15011 1 83 . 1 1 8 8 ILE HB H 1 1.89 0.001 . 1 . . . . 8 ILE HB . 15011 1 84 . 1 1 8 8 ILE HG12 H 1 1.636 0.001 . 1 . . . . 8 ILE HG12 . 15011 1 85 . 1 1 8 8 ILE HG21 H 1 0.96 0.001 . 1 . . . . 8 ILE HG2 . 15011 1 86 . 1 1 8 8 ILE HG22 H 1 0.96 0.001 . 1 . . . . 8 ILE HG2 . 15011 1 87 . 1 1 8 8 ILE HG23 H 1 0.96 0.001 . 1 . . . . 8 ILE HG2 . 15011 1 88 . 1 1 8 8 ILE HD11 H 1 0.982 0.001 . 1 . . . . 8 ILE HD1 . 15011 1 89 . 1 1 8 8 ILE HD12 H 1 0.982 0.001 . 1 . . . . 8 ILE HD1 . 15011 1 90 . 1 1 8 8 ILE HD13 H 1 0.982 0.001 . 1 . . . . 8 ILE HD1 . 15011 1 91 . 1 1 8 8 ILE C C 13 173.598 0.2 . 1 . . . . 8 ILE C . 15011 1 92 . 1 1 8 8 ILE CA C 13 59.228 0.2 . 1 . . . . 8 ILE CA . 15011 1 93 . 1 1 8 8 ILE CB C 13 39.014 0.2 . 1 . . . . 8 ILE CB . 15011 1 94 . 1 1 8 8 ILE CG1 C 13 26.545 0.2 . 1 . . . . 8 ILE CG1 . 15011 1 95 . 1 1 8 8 ILE CG2 C 13 17.65 0.2 . 1 . . . . 8 ILE CG2 . 15011 1 96 . 1 1 8 8 ILE CD1 C 13 13.206 0.2 . 1 . . . . 8 ILE CD1 . 15011 1 97 . 1 1 8 8 ILE N N 15 129.003 0.2 . 1 . . . . 8 ILE N . 15011 1 98 . 1 1 9 9 VAL H H 1 9.107 0.001 . 1 . . . . 9 VAL H . 15011 1 99 . 1 1 9 9 VAL HA H 1 4.48 0.001 . 1 . . . . 9 VAL HA . 15011 1 100 . 1 1 9 9 VAL HB H 1 2.408 0.001 . 1 . . . . 9 VAL HB . 15011 1 101 . 1 1 9 9 VAL HG11 H 1 0.688 0.001 . 1 . . . . 9 VAL HG1 . 15011 1 102 . 1 1 9 9 VAL HG12 H 1 0.688 0.001 . 1 . . . . 9 VAL HG1 . 15011 1 103 . 1 1 9 9 VAL HG13 H 1 0.688 0.001 . 1 . . . . 9 VAL HG1 . 15011 1 104 . 1 1 9 9 VAL HG21 H 1 0.544 0.001 . 1 . . . . 9 VAL HG2 . 15011 1 105 . 1 1 9 9 VAL HG22 H 1 0.544 0.001 . 1 . . . . 9 VAL HG2 . 15011 1 106 . 1 1 9 9 VAL HG23 H 1 0.544 0.001 . 1 . . . . 9 VAL HG2 . 15011 1 107 . 1 1 9 9 VAL C C 13 173.704 0.2 . 1 . . . . 9 VAL C . 15011 1 108 . 1 1 9 9 VAL CA C 13 57.726 0.2 . 1 . . . . 9 VAL CA . 15011 1 109 . 1 1 9 9 VAL CB C 13 29.599 0.2 . 1 . . . . 9 VAL CB . 15011 1 110 . 1 1 9 9 VAL CG1 C 13 19.298 0.2 . 2 . . . . 9 VAL CG1 . 15011 1 111 . 1 1 9 9 VAL CG2 C 13 18.779 0.2 . 2 . . . . 9 VAL CG2 . 15011 1 112 . 1 1 9 9 VAL N N 15 128.655 0.2 . 1 . . . . 9 VAL N . 15011 1 113 . 1 1 10 10 ASP H H 1 7.971 0.001 . 1 . . . . 10 ASP H . 15011 1 114 . 1 1 10 10 ASP HA H 1 4.98 0.001 . 1 . . . . 10 ASP HA . 15011 1 115 . 1 1 10 10 ASP HB2 H 1 3.029 0.001 . 2 . . . . 10 ASP HB1 . 15011 1 116 . 1 1 10 10 ASP HB3 H 1 2.722 0.001 . 2 . . . . 10 ASP HB2 . 15011 1 117 . 1 1 10 10 ASP C C 13 175.066 0.2 . 1 . . . . 10 ASP C . 15011 1 118 . 1 1 10 10 ASP CA C 13 52.717 0.2 . 1 . . . . 10 ASP CA . 15011 1 119 . 1 1 10 10 ASP CB C 13 41.661 0.2 . 1 . . . . 10 ASP CB . 15011 1 120 . 1 1 10 10 ASP N N 15 123.753 0.2 . 1 . . . . 10 ASP N . 15011 1 121 . 1 1 11 11 ASP H H 1 9.125 0.001 . 1 . . . . 11 ASP H . 15011 1 122 . 1 1 11 11 ASP HA H 1 4.501 0.001 . 1 . . . . 11 ASP HA . 15011 1 123 . 1 1 11 11 ASP HB2 H 1 2.663 0.001 . 2 . . . . 11 ASP HB1 . 15011 1 124 . 1 1 11 11 ASP HB3 H 1 2.831 0.001 . 2 . . . . 11 ASP HB2 . 15011 1 125 . 1 1 11 11 ASP C C 13 176.36 0.2 . 1 . . . . 11 ASP C . 15011 1 126 . 1 1 11 11 ASP CA C 13 53.382 0.2 . 1 . . . . 11 ASP CA . 15011 1 127 . 1 1 11 11 ASP CB C 13 40.144 0.2 . 1 . . . . 11 ASP CB . 15011 1 128 . 1 1 11 11 ASP N N 15 127.167 0.2 . 1 . . . . 11 ASP N . 15011 1 129 . 1 1 12 12 GLN H H 1 9.618 0.001 . 1 . . . . 12 GLN H . 15011 1 130 . 1 1 12 12 GLN HA H 1 4.355 0.001 . 1 . . . . 12 GLN HA . 15011 1 131 . 1 1 12 12 GLN HB2 H 1 2.16 0.001 . 2 . . . . 12 GLN HB1 . 15011 1 132 . 1 1 12 12 GLN HB3 H 1 2.013 0.001 . 2 . . . . 12 GLN HB2 . 15011 1 133 . 1 1 12 12 GLN HG2 H 1 2.404 0.001 . 2 . . . . 12 GLN HG1 . 15011 1 134 . 1 1 12 12 GLN HG3 H 1 2.335 0.001 . 2 . . . . 12 GLN HG2 . 15011 1 135 . 1 1 12 12 GLN C C 13 176.275 0.2 . 1 . . . . 12 GLN C . 15011 1 136 . 1 1 12 12 GLN CA C 13 52.893 0.2 . 1 . . . . 12 GLN CA . 15011 1 137 . 1 1 12 12 GLN CB C 13 25.824 0.2 . 1 . . . . 12 GLN CB . 15011 1 138 . 1 1 12 12 GLN CG C 13 32.614 0.2 . 1 . . . . 12 GLN CG . 15011 1 139 . 1 1 12 12 GLN N N 15 121.242 0.2 . 1 . . . . 12 GLN N . 15011 1 140 . 1 1 13 13 ALA H H 1 8.931 0.001 . 1 . . . . 13 ALA H . 15011 1 141 . 1 1 13 13 ALA HA H 1 3.763 0.001 . 1 . . . . 13 ALA HA . 15011 1 142 . 1 1 13 13 ALA HB1 H 1 1.446 0.001 . 1 . . . . 13 ALA HB . 15011 1 143 . 1 1 13 13 ALA HB2 H 1 1.446 0.001 . 1 . . . . 13 ALA HB . 15011 1 144 . 1 1 13 13 ALA HB3 H 1 1.446 0.001 . 1 . . . . 13 ALA HB . 15011 1 145 . 1 1 13 13 ALA C C 13 179.052 0.2 . 1 . . . . 13 ALA C . 15011 1 146 . 1 1 13 13 ALA CA C 13 53.688 0.2 . 1 . . . . 13 ALA CA . 15011 1 147 . 1 1 13 13 ALA CB C 13 16.226 0.2 . 1 . . . . 13 ALA CB . 15011 1 148 . 1 1 13 13 ALA N N 15 130.993 0.2 . 1 . . . . 13 ALA N . 15011 1 149 . 1 1 14 14 GLY H H 1 8.872 0.001 . 1 . . . . 14 GLY H . 15011 1 150 . 1 1 14 14 GLY HA2 H 1 3.843 0.001 . 2 . . . . 14 GLY HA1 . 15011 1 151 . 1 1 14 14 GLY HA3 H 1 3.721 0.001 . 2 . . . . 14 GLY HA2 . 15011 1 152 . 1 1 14 14 GLY C C 13 176.832 0.2 . 1 . . . . 14 GLY C . 15011 1 153 . 1 1 14 14 GLY CA C 13 44.954 0.2 . 1 . . . . 14 GLY CA . 15011 1 154 . 1 1 14 14 GLY N N 15 102.871 0.2 . 1 . . . . 14 GLY N . 15011 1 155 . 1 1 15 15 ILE H H 1 6.997 0.001 . 1 . . . . 15 ILE H . 15011 1 156 . 1 1 15 15 ILE HA H 1 3.954 0.001 . 1 . . . . 15 ILE HA . 15011 1 157 . 1 1 15 15 ILE HB H 1 2.088 0.001 . 1 . . . . 15 ILE HB . 15011 1 158 . 1 1 15 15 ILE HG12 H 1 1.356 0.001 . 2 . . . . 15 ILE HG11 . 15011 1 159 . 1 1 15 15 ILE HG13 H 1 1.339 0.001 . 2 . . . . 15 ILE HG12 . 15011 1 160 . 1 1 15 15 ILE HG21 H 1 0.685 0.001 . 1 . . . . 15 ILE HG2 . 15011 1 161 . 1 1 15 15 ILE HG22 H 1 0.685 0.001 . 1 . . . . 15 ILE HG2 . 15011 1 162 . 1 1 15 15 ILE HG23 H 1 0.685 0.001 . 1 . . . . 15 ILE HG2 . 15011 1 163 . 1 1 15 15 ILE HD11 H 1 0.896 0.001 . 1 . . . . 15 ILE HD1 . 15011 1 164 . 1 1 15 15 ILE HD12 H 1 0.896 0.001 . 1 . . . . 15 ILE HD1 . 15011 1 165 . 1 1 15 15 ILE HD13 H 1 0.896 0.001 . 1 . . . . 15 ILE HD1 . 15011 1 166 . 1 1 15 15 ILE C C 13 177.172 0.2 . 1 . . . . 15 ILE C . 15011 1 167 . 1 1 15 15 ILE CA C 13 59.738 0.2 . 1 . . . . 15 ILE CA . 15011 1 168 . 1 1 15 15 ILE CB C 13 34.644 0.2 . 1 . . . . 15 ILE CB . 15011 1 169 . 1 1 15 15 ILE CG1 C 13 25.29 0.2 . 1 . . . . 15 ILE CG1 . 15011 1 170 . 1 1 15 15 ILE CG2 C 13 8.161 0.2 . 1 . . . . 15 ILE CG2 . 15011 1 171 . 1 1 15 15 ILE CD1 C 13 16.279 0.2 . 1 . . . . 15 ILE CD1 . 15011 1 172 . 1 1 15 15 ILE N N 15 121.326 0.2 . 1 . . . . 15 ILE N . 15011 1 173 . 1 1 16 16 ARG H H 1 7.782 0.001 . 1 . . . . 16 ARG H . 15011 1 174 . 1 1 16 16 ARG HA H 1 3.789 0.001 . 1 . . . . 16 ARG HA . 15011 1 175 . 1 1 16 16 ARG HB2 H 1 1.924 0.001 . 2 . . . . 16 ARG HB1 . 15011 1 176 . 1 1 16 16 ARG HB3 H 1 1.794 0.001 . 2 . . . . 16 ARG HB2 . 15011 1 177 . 1 1 16 16 ARG HG2 H 1 1.261 0.001 . 2 . . . . 16 ARG HG1 . 15011 1 178 . 1 1 16 16 ARG HG3 H 1 1.869 0.001 . 2 . . . . 16 ARG HG2 . 15011 1 179 . 1 1 16 16 ARG HD2 H 1 3.001 0.001 . 2 . . . . 16 ARG HD1 . 15011 1 180 . 1 1 16 16 ARG C C 13 178.297 0.2 . 1 . . . . 16 ARG C . 15011 1 181 . 1 1 16 16 ARG CA C 13 59.094 0.2 . 1 . . . . 16 ARG CA . 15011 1 182 . 1 1 16 16 ARG CB C 13 29.006 0.2 . 1 . . . . 16 ARG CB . 15011 1 183 . 1 1 16 16 ARG CG C 13 26.425 0.2 . 1 . . . . 16 ARG CG . 15011 1 184 . 1 1 16 16 ARG CD C 13 41.462 0.2 . 1 . . . . 16 ARG CD . 15011 1 185 . 1 1 16 16 ARG N N 15 120 0.2 . 1 . . . . 16 ARG N . 15011 1 186 . 1 1 17 17 ILE H H 1 8.567 0.001 . 1 . . . . 17 ILE H . 15011 1 187 . 1 1 17 17 ILE HA H 1 3.626 0.001 . 1 . . . . 17 ILE HA . 15011 1 188 . 1 1 17 17 ILE HB H 1 1.783 0.001 . 1 . . . . 17 ILE HB . 15011 1 189 . 1 1 17 17 ILE HG12 H 1 1.709 0.001 . 2 . . . . 17 ILE HG11 . 15011 1 190 . 1 1 17 17 ILE HG13 H 1 1.181 0.001 . 2 . . . . 17 ILE HG12 . 15011 1 191 . 1 1 17 17 ILE HG21 H 1 0.912 0.001 . 1 . . . . 17 ILE HG2 . 15011 1 192 . 1 1 17 17 ILE HG22 H 1 0.912 0.001 . 1 . . . . 17 ILE HG2 . 15011 1 193 . 1 1 17 17 ILE HG23 H 1 0.912 0.001 . 1 . . . . 17 ILE HG2 . 15011 1 194 . 1 1 17 17 ILE HD11 H 1 0.82 0.001 . 1 . . . . 17 ILE HD1 . 15011 1 195 . 1 1 17 17 ILE HD12 H 1 0.82 0.001 . 1 . . . . 17 ILE HD1 . 15011 1 196 . 1 1 17 17 ILE HD13 H 1 0.82 0.001 . 1 . . . . 17 ILE HD1 . 15011 1 197 . 1 1 17 17 ILE C C 13 178.357 0.2 . 1 . . . . 17 ILE C . 15011 1 198 . 1 1 17 17 ILE CA C 13 62.853 0.2 . 1 . . . . 17 ILE CA . 15011 1 199 . 1 1 17 17 ILE CB C 13 36.419 0.2 . 1 . . . . 17 ILE CB . 15011 1 200 . 1 1 17 17 ILE CG1 C 13 27.622 0.2 . 1 . . . . 17 ILE CG1 . 15011 1 201 . 1 1 17 17 ILE CG2 C 13 15.262 0.2 . 1 . . . . 17 ILE CG2 . 15011 1 202 . 1 1 17 17 ILE CD1 C 13 11.532 0.2 . 1 . . . . 17 ILE CD1 . 15011 1 203 . 1 1 17 17 ILE N N 15 117.416 0.2 . 1 . . . . 17 ILE N . 15011 1 204 . 1 1 18 18 LEU H H 1 7.393 0.001 . 1 . . . . 18 LEU H . 15011 1 205 . 1 1 18 18 LEU HA H 1 4.177 0.001 . 1 . . . . 18 LEU HA . 15011 1 206 . 1 1 18 18 LEU HB2 H 1 1.789 0.001 . 2 . . . . 18 LEU HB1 . 15011 1 207 . 1 1 18 18 LEU HB3 H 1 1.659 0.001 . 2 . . . . 18 LEU HB2 . 15011 1 208 . 1 1 18 18 LEU HG H 1 1.525 0.001 . 1 . . . . 18 LEU HG . 15011 1 209 . 1 1 18 18 LEU HD11 H 1 0.829 0.001 . 1 . . . . 18 LEU HD1 . 15011 1 210 . 1 1 18 18 LEU HD12 H 1 0.829 0.001 . 1 . . . . 18 LEU HD1 . 15011 1 211 . 1 1 18 18 LEU HD13 H 1 0.829 0.001 . 1 . . . . 18 LEU HD1 . 15011 1 212 . 1 1 18 18 LEU HD21 H 1 0.909 0.001 . 1 . . . . 18 LEU HD2 . 15011 1 213 . 1 1 18 18 LEU HD22 H 1 0.909 0.001 . 1 . . . . 18 LEU HD2 . 15011 1 214 . 1 1 18 18 LEU HD23 H 1 0.909 0.001 . 1 . . . . 18 LEU HD2 . 15011 1 215 . 1 1 18 18 LEU C C 13 178.916 0.2 . 1 . . . . 18 LEU C . 15011 1 216 . 1 1 18 18 LEU CA C 13 56.058 0.2 . 1 . . . . 18 LEU CA . 15011 1 217 . 1 1 18 18 LEU CB C 13 40.088 0.2 . 1 . . . . 18 LEU CB . 15011 1 218 . 1 1 18 18 LEU CG C 13 22.374 0.2 . 1 . . . . 18 LEU CG . 15011 1 219 . 1 1 18 18 LEU CD1 C 13 21.951 0.2 . 2 . . . . 18 LEU CD1 . 15011 1 220 . 1 1 18 18 LEU CD2 C 13 25.158 0.2 . 2 . . . . 18 LEU CD2 . 15011 1 221 . 1 1 18 18 LEU N N 15 122.437 0.2 . 1 . . . . 18 LEU N . 15011 1 222 . 1 1 19 19 LEU H H 1 8.286 0.001 . 1 . . . . 19 LEU H . 15011 1 223 . 1 1 19 19 LEU HA H 1 3.716 0.001 . 1 . . . . 19 LEU HA . 15011 1 224 . 1 1 19 19 LEU HB2 H 1 1.141 0.001 . 2 . . . . 19 LEU HB1 . 15011 1 225 . 1 1 19 19 LEU HB3 H 1 1.862 0.001 . 2 . . . . 19 LEU HB2 . 15011 1 226 . 1 1 19 19 LEU HG H 1 1.919 0.001 . 1 . . . . 19 LEU HG . 15011 1 227 . 1 1 19 19 LEU HD11 H 1 0.803 0.001 . 1 . . . . 19 LEU HD1 . 15011 1 228 . 1 1 19 19 LEU HD12 H 1 0.803 0.001 . 1 . . . . 19 LEU HD1 . 15011 1 229 . 1 1 19 19 LEU HD13 H 1 0.803 0.001 . 1 . . . . 19 LEU HD1 . 15011 1 230 . 1 1 19 19 LEU HD21 H 1 0.573 0.001 . 1 . . . . 19 LEU HD2 . 15011 1 231 . 1 1 19 19 LEU HD22 H 1 0.573 0.001 . 1 . . . . 19 LEU HD2 . 15011 1 232 . 1 1 19 19 LEU HD23 H 1 0.573 0.001 . 1 . . . . 19 LEU HD2 . 15011 1 233 . 1 1 19 19 LEU C C 13 177.96 0.2 . 1 . . . . 19 LEU C . 15011 1 234 . 1 1 19 19 LEU CA C 13 55.408 0.2 . 1 . . . . 19 LEU CA . 15011 1 235 . 1 1 19 19 LEU CB C 13 40.167 0.2 . 1 . . . . 19 LEU CB . 15011 1 236 . 1 1 19 19 LEU CG C 13 39.561 0.2 . 1 . . . . 19 LEU CG . 15011 1 237 . 1 1 19 19 LEU CD1 C 13 24.226 0.2 . 2 . . . . 19 LEU CD1 . 15011 1 238 . 1 1 19 19 LEU CD2 C 13 20.203 0.2 . 2 . . . . 19 LEU CD2 . 15011 1 239 . 1 1 19 19 LEU N N 15 116.953 0.2 . 1 . . . . 19 LEU N . 15011 1 240 . 1 1 20 20 ASN H H 1 8.492 0.001 . 1 . . . . 20 ASN H . 15011 1 241 . 1 1 20 20 ASN HA H 1 4.1 0.001 . 1 . . . . 20 ASN HA . 15011 1 242 . 1 1 20 20 ASN HB2 H 1 2.879 0.001 . 2 . . . . 20 ASN HB1 . 15011 1 243 . 1 1 20 20 ASN HB3 H 1 2.585 0.001 . 2 . . . . 20 ASN HB2 . 15011 1 244 . 1 1 20 20 ASN HD21 H 1 6.916 0.001 . 2 . . . . 20 ASN HD21 . 15011 1 245 . 1 1 20 20 ASN HD22 H 1 7.617 0.001 . 2 . . . . 20 ASN HD22 . 15011 1 246 . 1 1 20 20 ASN C C 13 176.732 0.2 . 1 . . . . 20 ASN C . 15011 1 247 . 1 1 20 20 ASN CA C 13 56.481 0.2 . 1 . . . . 20 ASN CA . 15011 1 248 . 1 1 20 20 ASN CB C 13 37.696 0.2 . 1 . . . . 20 ASN CB . 15011 1 249 . 1 1 20 20 ASN N N 15 118.359 0.2 . 1 . . . . 20 ASN N . 15011 1 250 . 1 1 20 20 ASN ND2 N 15 115.095 0.2 . 1 . . . . 20 ASN ND2 . 15011 1 251 . 1 1 21 21 GLU H H 1 8.066 0.001 . 1 . . . . 21 GLU H . 15011 1 252 . 1 1 21 21 GLU HA H 1 4.012 0.001 . 1 . . . . 21 GLU HA . 15011 1 253 . 1 1 21 21 GLU HB2 H 1 2.181 0.001 . 2 . . . . 21 GLU HB1 . 15011 1 254 . 1 1 21 21 GLU HB3 H 1 2.431 0.001 . 2 . . . . 21 GLU HB2 . 15011 1 255 . 1 1 21 21 GLU HG2 H 1 2.324 0.001 . 2 . . . . 21 GLU HG1 . 15011 1 256 . 1 1 21 21 GLU HG3 H 1 2.21 0.001 . 2 . . . . 21 GLU HG2 . 15011 1 257 . 1 1 21 21 GLU C C 13 179.234 0.2 . 1 . . . . 21 GLU C . 15011 1 258 . 1 1 21 21 GLU CA C 13 57.627 0.2 . 1 . . . . 21 GLU CA . 15011 1 259 . 1 1 21 21 GLU CB C 13 27.597 0.2 . 1 . . . . 21 GLU CB . 15011 1 260 . 1 1 21 21 GLU CG C 13 33.947 0.2 . 1 . . . . 21 GLU CG . 15011 1 261 . 1 1 21 21 GLU N N 15 118.929 0.2 . 1 . . . . 21 GLU N . 15011 1 262 . 1 1 22 22 VAL H H 1 7.963 0.001 . 1 . . . . 22 VAL H . 15011 1 263 . 1 1 22 22 VAL HA H 1 3.552 0.001 . 1 . . . . 22 VAL HA . 15011 1 264 . 1 1 22 22 VAL HB H 1 1.693 0.001 . 1 . . . . 22 VAL HB . 15011 1 265 . 1 1 22 22 VAL HG11 H 1 0.344 0.001 . 1 . . . . 22 VAL HG1 . 15011 1 266 . 1 1 22 22 VAL HG12 H 1 0.344 0.001 . 1 . . . . 22 VAL HG1 . 15011 1 267 . 1 1 22 22 VAL HG13 H 1 0.344 0.001 . 1 . . . . 22 VAL HG1 . 15011 1 268 . 1 1 22 22 VAL HG21 H 1 0.908 0.001 . 1 . . . . 22 VAL HG2 . 15011 1 269 . 1 1 22 22 VAL HG22 H 1 0.908 0.001 . 1 . . . . 22 VAL HG2 . 15011 1 270 . 1 1 22 22 VAL HG23 H 1 0.908 0.001 . 1 . . . . 22 VAL HG2 . 15011 1 271 . 1 1 22 22 VAL C C 13 178.76 0.2 . 1 . . . . 22 VAL C . 15011 1 272 . 1 1 22 22 VAL CA C 13 63.989 0.2 . 1 . . . . 22 VAL CA . 15011 1 273 . 1 1 22 22 VAL CB C 13 30.23 0.2 . 1 . . . . 22 VAL CB . 15011 1 274 . 1 1 22 22 VAL CG1 C 13 19.408 0.2 . 2 . . . . 22 VAL CG1 . 15011 1 275 . 1 1 22 22 VAL CG2 C 13 17.724 0.2 . 2 . . . . 22 VAL CG2 . 15011 1 276 . 1 1 22 22 VAL N N 15 119.039 0.2 . 1 . . . . 22 VAL N . 15011 1 277 . 1 1 23 23 PHE H H 1 8.206 0.001 . 1 . . . . 23 PHE H . 15011 1 278 . 1 1 23 23 PHE HA H 1 4.606 0.001 . 1 . . . . 23 PHE HA . 15011 1 279 . 1 1 23 23 PHE HB2 H 1 3.059 0.001 . 2 . . . . 23 PHE HB1 . 15011 1 280 . 1 1 23 23 PHE HB3 H 1 2.973 0.001 . 2 . . . . 23 PHE HB2 . 15011 1 281 . 1 1 23 23 PHE C C 13 178.427 0.2 . 1 . . . . 23 PHE C . 15011 1 282 . 1 1 23 23 PHE CA C 13 58.822 0.2 . 1 . . . . 23 PHE CA . 15011 1 283 . 1 1 23 23 PHE CB C 13 35.168 0.2 . 1 . . . . 23 PHE CB . 15011 1 284 . 1 1 23 23 PHE N N 15 117.171 0.2 . 1 . . . . 23 PHE N . 15011 1 285 . 1 1 24 24 ASN H H 1 8.883 0.001 . 1 . . . . 24 ASN H . 15011 1 286 . 1 1 24 24 ASN HA H 1 4.876 0.001 . 1 . . . . 24 ASN HA . 15011 1 287 . 1 1 24 24 ASN HB2 H 1 2.981 0.001 . 2 . . . . 24 ASN HB1 . 15011 1 288 . 1 1 24 24 ASN HB3 H 1 2.728 0.001 . 2 . . . . 24 ASN HB2 . 15011 1 289 . 1 1 24 24 ASN HD21 H 1 6.883 0.001 . 2 . . . . 24 ASN HD21 . 15011 1 290 . 1 1 24 24 ASN C C 13 179.683 0.2 . 1 . . . . 24 ASN C . 15011 1 291 . 1 1 24 24 ASN CA C 13 54.827 0.2 . 1 . . . . 24 ASN CA . 15011 1 292 . 1 1 24 24 ASN CB C 13 36.523 0.2 . 1 . . . . 24 ASN CB . 15011 1 293 . 1 1 24 24 ASN N N 15 122.195 0.2 . 1 . . . . 24 ASN N . 15011 1 294 . 1 1 24 24 ASN ND2 N 15 113 0.2 . 1 . . . . 24 ASN ND2 . 15011 1 295 . 1 1 25 25 LYS H H 1 7.953 0.001 . 1 . . . . 25 LYS H . 15011 1 296 . 1 1 25 25 LYS HA H 1 4.038 0.001 . 1 . . . . 25 LYS HA . 15011 1 297 . 1 1 25 25 LYS HB2 H 1 1.947 0.001 . 2 . . . . 25 LYS HB1 . 15011 1 298 . 1 1 25 25 LYS HB3 H 1 1.804 0.001 . 2 . . . . 25 LYS HB2 . 15011 1 299 . 1 1 25 25 LYS HG2 H 1 1.586 0.001 . 2 . . . . 25 LYS HG1 . 15011 1 300 . 1 1 25 25 LYS HG3 H 1 1.473 0.001 . 2 . . . . 25 LYS HG2 . 15011 1 301 . 1 1 25 25 LYS HD2 H 1 1.569 0.001 . 2 . . . . 25 LYS HD1 . 15011 1 302 . 1 1 25 25 LYS HE2 H 1 2.935 0.001 . 2 . . . . 25 LYS HE1 . 15011 1 303 . 1 1 25 25 LYS HE3 H 1 2.617 0.001 . 2 . . . . 25 LYS HE2 . 15011 1 304 . 1 1 25 25 LYS C C 13 178.327 0.2 . 1 . . . . 25 LYS C . 15011 1 305 . 1 1 25 25 LYS CA C 13 57.578 0.2 . 1 . . . . 25 LYS CA . 15011 1 306 . 1 1 25 25 LYS CB C 13 30.2 0.2 . 1 . . . . 25 LYS CB . 15011 1 307 . 1 1 25 25 LYS CG C 13 22.975 0.2 . 1 . . . . 25 LYS CG . 15011 1 308 . 1 1 25 25 LYS CD C 13 26.512 0.2 . 1 . . . . 25 LYS CD . 15011 1 309 . 1 1 25 25 LYS CE C 13 40.15 0.2 . 1 . . . . 25 LYS CE . 15011 1 310 . 1 1 25 25 LYS N N 15 121.054 0.2 . 1 . . . . 25 LYS N . 15011 1 311 . 1 1 26 26 GLU H H 1 7.318 0.001 . 1 . . . . 26 GLU H . 15011 1 312 . 1 1 26 26 GLU HA H 1 4.187 0.001 . 1 . . . . 26 GLU HA . 15011 1 313 . 1 1 26 26 GLU HB2 H 1 2.422 0.001 . 2 . . . . 26 GLU HB1 . 15011 1 314 . 1 1 26 26 GLU HB3 H 1 2.229 0.001 . 2 . . . . 26 GLU HB2 . 15011 1 315 . 1 1 26 26 GLU HG2 H 1 2.21 0.001 . 2 . . . . 26 GLU HG1 . 15011 1 316 . 1 1 26 26 GLU HG3 H 1 2.583 0.001 . 2 . . . . 26 GLU HG2 . 15011 1 317 . 1 1 26 26 GLU C C 13 175.898 0.2 . 1 . . . . 26 GLU C . 15011 1 318 . 1 1 26 26 GLU CA C 13 53.972 0.2 . 1 . . . . 26 GLU CA . 15011 1 319 . 1 1 26 26 GLU CB C 13 28.94 0.2 . 1 . . . . 26 GLU CB . 15011 1 320 . 1 1 26 26 GLU CG C 13 33.939 0.2 . 1 . . . . 26 GLU CG . 15011 1 321 . 1 1 26 26 GLU N N 15 115.832 0.2 . 1 . . . . 26 GLU N . 15011 1 322 . 1 1 27 27 GLY H H 1 7.521 0.001 . 1 . . . . 27 GLY H . 15011 1 323 . 1 1 27 27 GLY HA2 H 1 3.602 0.001 . 2 . . . . 27 GLY HA1 . 15011 1 324 . 1 1 27 27 GLY HA3 H 1 4.218 0.001 . 2 . . . . 27 GLY HA2 . 15011 1 325 . 1 1 27 27 GLY C C 13 174.319 0.2 . 1 . . . . 27 GLY C . 15011 1 326 . 1 1 27 27 GLY CA C 13 42.647 0.2 . 1 . . . . 27 GLY CA . 15011 1 327 . 1 1 27 27 GLY N N 15 103.901 0.2 . 1 . . . . 27 GLY N . 15011 1 328 . 1 1 28 28 TYR H H 1 7.618 0.001 . 1 . . . . 28 TYR H . 15011 1 329 . 1 1 28 28 TYR HA H 1 4.443 0.001 . 1 . . . . 28 TYR HA . 15011 1 330 . 1 1 28 28 TYR HB2 H 1 2.363 0.001 . 2 . . . . 28 TYR HB1 . 15011 1 331 . 1 1 28 28 TYR HB3 H 1 2.845 0.001 . 2 . . . . 28 TYR HB2 . 15011 1 332 . 1 1 28 28 TYR HD1 H 1 7.172 0.001 . 3 . . . . 28 TYR HD1 . 15011 1 333 . 1 1 28 28 TYR C C 13 176.065 0.2 . 1 . . . . 28 TYR C . 15011 1 334 . 1 1 28 28 TYR CA C 13 56.556 0.2 . 1 . . . . 28 TYR CA . 15011 1 335 . 1 1 28 28 TYR CB C 13 36.453 0.2 . 1 . . . . 28 TYR CB . 15011 1 336 . 1 1 28 28 TYR N N 15 119.4 0.2 . 1 . . . . 28 TYR N . 15011 1 337 . 1 1 29 29 GLN H H 1 8.81 0.001 . 1 . . . . 29 GLN H . 15011 1 338 . 1 1 29 29 GLN HA H 1 4.468 0.001 . 1 . . . . 29 GLN HA . 15011 1 339 . 1 1 29 29 GLN HB2 H 1 1.959 0.001 . 2 . . . . 29 GLN HB1 . 15011 1 340 . 1 1 29 29 GLN HB3 H 1 1.853 0.001 . 2 . . . . 29 GLN HB2 . 15011 1 341 . 1 1 29 29 GLN HG2 H 1 2.311 0.001 . 2 . . . . 29 GLN HG1 . 15011 1 342 . 1 1 29 29 GLN HG3 H 1 2.051 0.001 . 2 . . . . 29 GLN HG2 . 15011 1 343 . 1 1 29 29 GLN HE21 H 1 6.883 0.001 . 2 . . . . 29 GLN HE21 . 15011 1 344 . 1 1 29 29 GLN HE22 H 1 7.454 0.001 . 2 . . . . 29 GLN HE22 . 15011 1 345 . 1 1 29 29 GLN C C 13 175.35 0.2 . 1 . . . . 29 GLN C . 15011 1 346 . 1 1 29 29 GLN CA C 13 53.944 0.2 . 1 . . . . 29 GLN CA . 15011 1 347 . 1 1 29 29 GLN CB C 13 27.69 0.2 . 1 . . . . 29 GLN CB . 15011 1 348 . 1 1 29 29 GLN CG C 13 31.465 0.2 . 1 . . . . 29 GLN CG . 15011 1 349 . 1 1 29 29 GLN N N 15 122.891 0.2 . 1 . . . . 29 GLN N . 15011 1 350 . 1 1 29 29 GLN NE2 N 15 112.447 0.2 . 1 . . . . 29 GLN NE2 . 15011 1 351 . 1 1 30 30 THR H H 1 8.035 0.001 . 1 . . . . 30 THR H . 15011 1 352 . 1 1 30 30 THR HA H 1 5.479 0.001 . 1 . . . . 30 THR HA . 15011 1 353 . 1 1 30 30 THR HB H 1 4.109 0.001 . 1 . . . . 30 THR HB . 15011 1 354 . 1 1 30 30 THR HG21 H 1 1.097 0.001 . 1 . . . . 30 THR HG2 . 15011 1 355 . 1 1 30 30 THR HG22 H 1 1.097 0.001 . 1 . . . . 30 THR HG2 . 15011 1 356 . 1 1 30 30 THR HG23 H 1 1.097 0.001 . 1 . . . . 30 THR HG2 . 15011 1 357 . 1 1 30 30 THR C C 13 173.649 0.2 . 1 . . . . 30 THR C . 15011 1 358 . 1 1 30 30 THR CA C 13 57.848 0.2 . 1 . . . . 30 THR CA . 15011 1 359 . 1 1 30 30 THR CB C 13 68.925 0.2 . 1 . . . . 30 THR CB . 15011 1 360 . 1 1 30 30 THR CG2 C 13 20.945 0.2 . 1 . . . . 30 THR CG2 . 15011 1 361 . 1 1 30 30 THR N N 15 116.177 0.2 . 1 . . . . 30 THR N . 15011 1 362 . 1 1 31 31 PHE H H 1 8.873 0.001 . 1 . . . . 31 PHE H . 15011 1 363 . 1 1 31 31 PHE HA H 1 4.8 0.001 . 1 . . . . 31 PHE HA . 15011 1 364 . 1 1 31 31 PHE HB2 H 1 3.228 0.001 . 2 . . . . 31 PHE HB1 . 15011 1 365 . 1 1 31 31 PHE HB3 H 1 3.09 0.001 . 2 . . . . 31 PHE HB2 . 15011 1 366 . 1 1 31 31 PHE C C 13 174.53 0.2 . 1 . . . . 31 PHE C . 15011 1 367 . 1 1 31 31 PHE CA C 13 54.123 0.2 . 1 . . . . 31 PHE CA . 15011 1 368 . 1 1 31 31 PHE CB C 13 42.688 0.2 . 1 . . . . 31 PHE CB . 15011 1 369 . 1 1 31 31 PHE N N 15 120.363 0.2 . 1 . . . . 31 PHE N . 15011 1 370 . 1 1 32 32 GLN H H 1 8.961 0.001 . 1 . . . . 32 GLN H . 15011 1 371 . 1 1 32 32 GLN HA H 1 5.389 0.001 . 1 . . . . 32 GLN HA . 15011 1 372 . 1 1 32 32 GLN HB2 H 1 1.912 0.001 . 2 . . . . 32 GLN HB1 . 15011 1 373 . 1 1 32 32 GLN HB3 H 1 2 0.001 . 2 . . . . 32 GLN HB2 . 15011 1 374 . 1 1 32 32 GLN HG2 H 1 1.921 0.001 . 2 . . . . 32 GLN HG1 . 15011 1 375 . 1 1 32 32 GLN HG3 H 1 2.026 0.001 . 2 . . . . 32 GLN HG2 . 15011 1 376 . 1 1 32 32 GLN HE21 H 1 6.724 0.001 . 2 . . . . 32 GLN HE21 . 15011 1 377 . 1 1 32 32 GLN HE22 H 1 7.115 0.001 . 2 . . . . 32 GLN HE22 . 15011 1 378 . 1 1 32 32 GLN C C 13 173.614 0.2 . 1 . . . . 32 GLN C . 15011 1 379 . 1 1 32 32 GLN CA C 13 52.58 0.2 . 1 . . . . 32 GLN CA . 15011 1 380 . 1 1 32 32 GLN CB C 13 31.546 0.2 . 1 . . . . 32 GLN CB . 15011 1 381 . 1 1 32 32 GLN CG C 13 32.493 0.2 . 1 . . . . 32 GLN CG . 15011 1 382 . 1 1 32 32 GLN N N 15 120.237 0.2 . 1 . . . . 32 GLN N . 15011 1 383 . 1 1 32 32 GLN NE2 N 15 111.639 0.2 . 1 . . . . 32 GLN NE2 . 15011 1 384 . 1 1 33 33 ALA H H 1 8.885 0.001 . 1 . . . . 33 ALA H . 15011 1 385 . 1 1 33 33 ALA HA H 1 4.593 0.001 . 1 . . . . 33 ALA HA . 15011 1 386 . 1 1 33 33 ALA HB1 H 1 1.337 0.001 . 1 . . . . 33 ALA HB . 15011 1 387 . 1 1 33 33 ALA HB2 H 1 1.337 0.001 . 1 . . . . 33 ALA HB . 15011 1 388 . 1 1 33 33 ALA HB3 H 1 1.337 0.001 . 1 . . . . 33 ALA HB . 15011 1 389 . 1 1 33 33 ALA C C 13 174.71 0.2 . 1 . . . . 33 ALA C . 15011 1 390 . 1 1 33 33 ALA CA C 13 49.676 0.2 . 1 . . . . 33 ALA CA . 15011 1 391 . 1 1 33 33 ALA CB C 13 21.514 0.2 . 1 . . . . 33 ALA CB . 15011 1 392 . 1 1 33 33 ALA N N 15 121.111 0.2 . 1 . . . . 33 ALA N . 15011 1 393 . 1 1 34 34 ALA H H 1 8.427 0.001 . 1 . . . . 34 ALA H . 15011 1 394 . 1 1 34 34 ALA HA H 1 4.629 0.001 . 1 . . . . 34 ALA HA . 15011 1 395 . 1 1 34 34 ALA HB1 H 1 1.418 0.001 . 1 . . . . 34 ALA HB . 15011 1 396 . 1 1 34 34 ALA HB2 H 1 1.418 0.001 . 1 . . . . 34 ALA HB . 15011 1 397 . 1 1 34 34 ALA HB3 H 1 1.418 0.001 . 1 . . . . 34 ALA HB . 15011 1 398 . 1 1 34 34 ALA C C 13 175.833 0.2 . 1 . . . . 34 ALA C . 15011 1 399 . 1 1 34 34 ALA CA C 13 48.731 0.2 . 1 . . . . 34 ALA CA . 15011 1 400 . 1 1 34 34 ALA CB C 13 18.881 0.2 . 1 . . . . 34 ALA CB . 15011 1 401 . 1 1 34 34 ALA N N 15 120.874 0.2 . 1 . . . . 34 ALA N . 15011 1 402 . 1 1 35 35 ASN H H 1 7.341 0.001 . 1 . . . . 35 ASN H . 15011 1 403 . 1 1 35 35 ASN HA H 1 4.56 0.001 . 1 . . . . 35 ASN HA . 15011 1 404 . 1 1 35 35 ASN HB2 H 1 3.001 0.001 . 2 . . . . 35 ASN HB1 . 15011 1 405 . 1 1 35 35 ASN HB3 H 1 2.931 0.001 . 2 . . . . 35 ASN HB2 . 15011 1 406 . 1 1 35 35 ASN HD21 H 1 6.969 0.001 . 2 . . . . 35 ASN HD21 . 15011 1 407 . 1 1 35 35 ASN HD22 H 1 7.722 0.001 . 2 . . . . 35 ASN HD22 . 15011 1 408 . 1 1 35 35 ASN C C 13 175.029 0.2 . 1 . . . . 35 ASN C . 15011 1 409 . 1 1 35 35 ASN CA C 13 50.899 0.2 . 1 . . . . 35 ASN CA . 15011 1 410 . 1 1 35 35 ASN CB C 13 38.158 0.2 . 1 . . . . 35 ASN CB . 15011 1 411 . 1 1 35 35 ASN N N 15 109.79 0.2 . 1 . . . . 35 ASN N . 15011 1 412 . 1 1 35 35 ASN ND2 N 15 115.619 0.2 . 1 . . . . 35 ASN ND2 . 15011 1 413 . 1 1 36 36 GLY H H 1 9.163 0.001 . 1 . . . . 36 GLY H . 15011 1 414 . 1 1 36 36 GLY HA2 H 1 3.538 0.001 . 2 . . . . 36 GLY HA1 . 15011 1 415 . 1 1 36 36 GLY HA3 H 1 3.75 0.001 . 2 . . . . 36 GLY HA2 . 15011 1 416 . 1 1 36 36 GLY C C 13 173.949 0.2 . 1 . . . . 36 GLY C . 15011 1 417 . 1 1 36 36 GLY CA C 13 45.959 0.2 . 1 . . . . 36 GLY CA . 15011 1 418 . 1 1 36 36 GLY N N 15 107.72 0.2 . 1 . . . . 36 GLY N . 15011 1 419 . 1 1 37 37 LEU H H 1 7.999 0.001 . 1 . . . . 37 LEU H . 15011 1 420 . 1 1 37 37 LEU HA H 1 4.031 0.001 . 1 . . . . 37 LEU HA . 15011 1 421 . 1 1 37 37 LEU HB2 H 1 1.687 0.001 . 2 . . . . 37 LEU HB1 . 15011 1 422 . 1 1 37 37 LEU HB3 H 1 1.537 0.001 . 2 . . . . 37 LEU HB2 . 15011 1 423 . 1 1 37 37 LEU HG H 1 1.747 0.001 . 1 . . . . 37 LEU HG . 15011 1 424 . 1 1 37 37 LEU HD11 H 1 0.892 0.001 . 1 . . . . 37 LEU HD1 . 15011 1 425 . 1 1 37 37 LEU HD12 H 1 0.892 0.001 . 1 . . . . 37 LEU HD1 . 15011 1 426 . 1 1 37 37 LEU HD13 H 1 0.892 0.001 . 1 . . . . 37 LEU HD1 . 15011 1 427 . 1 1 37 37 LEU HD21 H 1 0.817 0.001 . 1 . . . . 37 LEU HD2 . 15011 1 428 . 1 1 37 37 LEU HD22 H 1 0.817 0.001 . 1 . . . . 37 LEU HD2 . 15011 1 429 . 1 1 37 37 LEU HD23 H 1 0.817 0.001 . 1 . . . . 37 LEU HD2 . 15011 1 430 . 1 1 37 37 LEU C C 13 180.406 0.2 . 1 . . . . 37 LEU C . 15011 1 431 . 1 1 37 37 LEU CA C 13 56.399 0.2 . 1 . . . . 37 LEU CA . 15011 1 432 . 1 1 37 37 LEU CB C 13 38.926 0.2 . 1 . . . . 37 LEU CB . 15011 1 433 . 1 1 37 37 LEU CG C 13 25.244 0.2 . 1 . . . . 37 LEU CG . 15011 1 434 . 1 1 37 37 LEU CD1 C 13 22.673 0.2 . 2 . . . . 37 LEU CD1 . 15011 1 435 . 1 1 37 37 LEU CD2 C 13 21.96 0.2 . 2 . . . . 37 LEU CD2 . 15011 1 436 . 1 1 37 37 LEU N N 15 122.77 0.2 . 1 . . . . 37 LEU N . 15011 1 437 . 1 1 38 38 GLN H H 1 8.453 0.001 . 1 . . . . 38 GLN H . 15011 1 438 . 1 1 38 38 GLN HA H 1 4.128 0.001 . 1 . . . . 38 GLN HA . 15011 1 439 . 1 1 38 38 GLN HB2 H 1 2.051 0.001 . 2 . . . . 38 GLN HB1 . 15011 1 440 . 1 1 38 38 GLN HG2 H 1 2.402 0.001 . 2 . . . . 38 GLN HG1 . 15011 1 441 . 1 1 38 38 GLN HG3 H 1 2.719 0.001 . 2 . . . . 38 GLN HG2 . 15011 1 442 . 1 1 38 38 GLN HE21 H 1 6.931 0.001 . 2 . . . . 38 GLN HE21 . 15011 1 443 . 1 1 38 38 GLN HE22 H 1 7.574 0.001 . 2 . . . . 38 GLN HE22 . 15011 1 444 . 1 1 38 38 GLN C C 13 178.726 0.2 . 1 . . . . 38 GLN C . 15011 1 445 . 1 1 38 38 GLN CA C 13 56.085 0.2 . 1 . . . . 38 GLN CA . 15011 1 446 . 1 1 38 38 GLN CB C 13 26.578 0.2 . 1 . . . . 38 GLN CB . 15011 1 447 . 1 1 38 38 GLN CG C 13 31.39 0.2 . 1 . . . . 38 GLN CG . 15011 1 448 . 1 1 38 38 GLN N N 15 119.863 0.2 . 1 . . . . 38 GLN N . 15011 1 449 . 1 1 38 38 GLN NE2 N 15 112.003 0.2 . 1 . . . . 38 GLN NE2 . 15011 1 450 . 1 1 39 39 ALA H H 1 7.865 0.001 . 1 . . . . 39 ALA H . 15011 1 451 . 1 1 39 39 ALA HA H 1 3.702 0.001 . 1 . . . . 39 ALA HA . 15011 1 452 . 1 1 39 39 ALA HB1 H 1 1.332 0.001 . 1 . . . . 39 ALA HB . 15011 1 453 . 1 1 39 39 ALA HB2 H 1 1.332 0.001 . 1 . . . . 39 ALA HB . 15011 1 454 . 1 1 39 39 ALA HB3 H 1 1.332 0.001 . 1 . . . . 39 ALA HB . 15011 1 455 . 1 1 39 39 ALA C C 13 178.51 0.2 . 1 . . . . 39 ALA C . 15011 1 456 . 1 1 39 39 ALA CA C 13 53.254 0.2 . 1 . . . . 39 ALA CA . 15011 1 457 . 1 1 39 39 ALA CB C 13 17.01 0.2 . 1 . . . . 39 ALA CB . 15011 1 458 . 1 1 39 39 ALA N N 15 119.82 0.2 . 1 . . . . 39 ALA N . 15011 1 459 . 1 1 40 40 LEU H H 1 8.06 0.001 . 1 . . . . 40 LEU H . 15011 1 460 . 1 1 40 40 LEU HA H 1 3.737 0.001 . 1 . . . . 40 LEU HA . 15011 1 461 . 1 1 40 40 LEU HB2 H 1 1.9 0.001 . 2 . . . . 40 LEU HB1 . 15011 1 462 . 1 1 40 40 LEU HB3 H 1 1.387 0.001 . 2 . . . . 40 LEU HB2 . 15011 1 463 . 1 1 40 40 LEU HG H 1 1.891 0.001 . 1 . . . . 40 LEU HG . 15011 1 464 . 1 1 40 40 LEU HD11 H 1 0.67 0.001 . 1 . . . . 40 LEU HD1 . 15011 1 465 . 1 1 40 40 LEU HD12 H 1 0.67 0.001 . 1 . . . . 40 LEU HD1 . 15011 1 466 . 1 1 40 40 LEU HD13 H 1 0.67 0.001 . 1 . . . . 40 LEU HD1 . 15011 1 467 . 1 1 40 40 LEU HD21 H 1 0.82 0.001 . 1 . . . . 40 LEU HD2 . 15011 1 468 . 1 1 40 40 LEU HD22 H 1 0.82 0.001 . 1 . . . . 40 LEU HD2 . 15011 1 469 . 1 1 40 40 LEU HD23 H 1 0.82 0.001 . 1 . . . . 40 LEU HD2 . 15011 1 470 . 1 1 40 40 LEU C C 13 179.346 0.2 . 1 . . . . 40 LEU C . 15011 1 471 . 1 1 40 40 LEU CA C 13 56.345 0.2 . 1 . . . . 40 LEU CA . 15011 1 472 . 1 1 40 40 LEU CB C 13 38.688 0.2 . 1 . . . . 40 LEU CB . 15011 1 473 . 1 1 40 40 LEU CG C 13 24.913 0.2 . 1 . . . . 40 LEU CG . 15011 1 474 . 1 1 40 40 LEU CD1 C 13 21.571 0.2 . 2 . . . . 40 LEU CD1 . 15011 1 475 . 1 1 40 40 LEU CD2 C 13 23.797 0.2 . 2 . . . . 40 LEU CD2 . 15011 1 476 . 1 1 40 40 LEU N N 15 117.108 0.2 . 1 . . . . 40 LEU N . 15011 1 477 . 1 1 41 41 ASP H H 1 7.738 0.001 . 1 . . . . 41 ASP H . 15011 1 478 . 1 1 41 41 ASP HA H 1 4.375 0.001 . 1 . . . . 41 ASP HA . 15011 1 479 . 1 1 41 41 ASP HB2 H 1 2.739 0.001 . 2 . . . . 41 ASP HB1 . 15011 1 480 . 1 1 41 41 ASP HB3 H 1 2.575 0.001 . 2 . . . . 41 ASP HB2 . 15011 1 481 . 1 1 41 41 ASP C C 13 177.741 0.2 . 1 . . . . 41 ASP C . 15011 1 482 . 1 1 41 41 ASP CA C 13 55.386 0.2 . 1 . . . . 41 ASP CA . 15011 1 483 . 1 1 41 41 ASP CB C 13 38.982 0.2 . 1 . . . . 41 ASP CB . 15011 1 484 . 1 1 41 41 ASP N N 15 122.226 0.2 . 1 . . . . 41 ASP N . 15011 1 485 . 1 1 42 42 ILE H H 1 7.842 0.001 . 1 . . . . 42 ILE H . 15011 1 486 . 1 1 42 42 ILE HA H 1 3.568 0.001 . 1 . . . . 42 ILE HA . 15011 1 487 . 1 1 42 42 ILE HB H 1 1.741 0.001 . 1 . . . . 42 ILE HB . 15011 1 488 . 1 1 42 42 ILE HG12 H 1 1.138 0.001 . 2 . . . . 42 ILE HG11 . 15011 1 489 . 1 1 42 42 ILE HG13 H 1 1.836 0.001 . 2 . . . . 42 ILE HG12 . 15011 1 490 . 1 1 42 42 ILE HG21 H 1 0.453 0.001 . 1 . . . . 42 ILE HG2 . 15011 1 491 . 1 1 42 42 ILE HG22 H 1 0.453 0.001 . 1 . . . . 42 ILE HG2 . 15011 1 492 . 1 1 42 42 ILE HG23 H 1 0.453 0.001 . 1 . . . . 42 ILE HG2 . 15011 1 493 . 1 1 42 42 ILE HD11 H 1 0.852 0.001 . 1 . . . . 42 ILE HD1 . 15011 1 494 . 1 1 42 42 ILE HD12 H 1 0.852 0.001 . 1 . . . . 42 ILE HD1 . 15011 1 495 . 1 1 42 42 ILE HD13 H 1 0.852 0.001 . 1 . . . . 42 ILE HD1 . 15011 1 496 . 1 1 42 42 ILE C C 13 178.366 0.2 . 1 . . . . 42 ILE C . 15011 1 497 . 1 1 42 42 ILE CA C 13 62.582 0.2 . 1 . . . . 42 ILE CA . 15011 1 498 . 1 1 42 42 ILE CB C 13 35.169 0.2 . 1 . . . . 42 ILE CB . 15011 1 499 . 1 1 42 42 ILE CG1 C 13 26.454 0.2 . 1 . . . . 42 ILE CG1 . 15011 1 500 . 1 1 42 42 ILE CG2 C 13 16.091 0.2 . 1 . . . . 42 ILE CG2 . 15011 1 501 . 1 1 42 42 ILE CD1 C 13 12.391 0.2 . 1 . . . . 42 ILE CD1 . 15011 1 502 . 1 1 42 42 ILE N N 15 119.909 0.2 . 1 . . . . 42 ILE N . 15011 1 503 . 1 1 43 43 VAL H H 1 8.557 0.001 . 1 . . . . 43 VAL H . 15011 1 504 . 1 1 43 43 VAL HA H 1 3.261 0.001 . 1 . . . . 43 VAL HA . 15011 1 505 . 1 1 43 43 VAL HB H 1 2.036 0.001 . 1 . . . . 43 VAL HB . 15011 1 506 . 1 1 43 43 VAL HG11 H 1 0.845 0.001 . 1 . . . . 43 VAL HG1 . 15011 1 507 . 1 1 43 43 VAL HG12 H 1 0.845 0.001 . 1 . . . . 43 VAL HG1 . 15011 1 508 . 1 1 43 43 VAL HG13 H 1 0.845 0.001 . 1 . . . . 43 VAL HG1 . 15011 1 509 . 1 1 43 43 VAL HG21 H 1 0.886 0.001 . 1 . . . . 43 VAL HG2 . 15011 1 510 . 1 1 43 43 VAL HG22 H 1 0.886 0.001 . 1 . . . . 43 VAL HG2 . 15011 1 511 . 1 1 43 43 VAL HG23 H 1 0.886 0.001 . 1 . . . . 43 VAL HG2 . 15011 1 512 . 1 1 43 43 VAL C C 13 177.693 0.2 . 1 . . . . 43 VAL C . 15011 1 513 . 1 1 43 43 VAL CA C 13 65.3 0.2 . 1 . . . . 43 VAL CA . 15011 1 514 . 1 1 43 43 VAL CB C 13 28.936 0.2 . 1 . . . . 43 VAL CB . 15011 1 515 . 1 1 43 43 VAL CG1 C 13 22.033 0.2 . 2 . . . . 43 VAL CG1 . 15011 1 516 . 1 1 43 43 VAL CG2 C 13 18.972 0.2 . 2 . . . . 43 VAL CG2 . 15011 1 517 . 1 1 43 43 VAL N N 15 121.649 0.2 . 1 . . . . 43 VAL N . 15011 1 518 . 1 1 44 44 THR H H 1 7.935 0.001 . 1 . . . . 44 THR H . 15011 1 519 . 1 1 44 44 THR HA H 1 3.661 0.001 . 1 . . . . 44 THR HA . 15011 1 520 . 1 1 44 44 THR HB H 1 4.287 0.001 . 1 . . . . 44 THR HB . 15011 1 521 . 1 1 44 44 THR HG21 H 1 1.184 0.001 . 1 . . . . 44 THR HG2 . 15011 1 522 . 1 1 44 44 THR HG22 H 1 1.184 0.001 . 1 . . . . 44 THR HG2 . 15011 1 523 . 1 1 44 44 THR HG23 H 1 1.184 0.001 . 1 . . . . 44 THR HG2 . 15011 1 524 . 1 1 44 44 THR C C 13 175.621 0.2 . 1 . . . . 44 THR C . 15011 1 525 . 1 1 44 44 THR CA C 13 64.849 0.2 . 1 . . . . 44 THR CA . 15011 1 526 . 1 1 44 44 THR CB C 13 66.539 0.2 . 1 . . . . 44 THR CB . 15011 1 527 . 1 1 44 44 THR CG2 C 13 19.138 0.2 . 1 . . . . 44 THR CG2 . 15011 1 528 . 1 1 44 44 THR N N 15 114.16 0.2 . 1 . . . . 44 THR N . 15011 1 529 . 1 1 45 45 LYS H H 1 7.81 0.001 . 1 . . . . 45 LYS H . 15011 1 530 . 1 1 45 45 LYS HA H 1 4.03 0.001 . 1 . . . . 45 LYS HA . 15011 1 531 . 1 1 45 45 LYS HB2 H 1 1.73 0.001 . 2 . . . . 45 LYS HB1 . 15011 1 532 . 1 1 45 45 LYS HB3 H 1 1.615 0.001 . 2 . . . . 45 LYS HB2 . 15011 1 533 . 1 1 45 45 LYS HG2 H 1 1.421 0.001 . 2 . . . . 45 LYS HG1 . 15011 1 534 . 1 1 45 45 LYS HG3 H 1 1.51 0.001 . 2 . . . . 45 LYS HG2 . 15011 1 535 . 1 1 45 45 LYS HD2 H 1 1.559 0.001 . 2 . . . . 45 LYS HD1 . 15011 1 536 . 1 1 45 45 LYS HD3 H 1 2.095 0.001 . 2 . . . . 45 LYS HD2 . 15011 1 537 . 1 1 45 45 LYS HE2 H 1 2.912 0.001 . 2 . . . . 45 LYS HE1 . 15011 1 538 . 1 1 45 45 LYS C C 13 178.11 0.2 . 1 . . . . 45 LYS C . 15011 1 539 . 1 1 45 45 LYS CA C 13 57.691 0.2 . 1 . . . . 45 LYS CA . 15011 1 540 . 1 1 45 45 LYS CB C 13 32.673 0.2 . 1 . . . . 45 LYS CB . 15011 1 541 . 1 1 45 45 LYS CG C 13 23.92 0.2 . 1 . . . . 45 LYS CG . 15011 1 542 . 1 1 45 45 LYS CD C 13 26.437 0.2 . 1 . . . . 45 LYS CD . 15011 1 543 . 1 1 45 45 LYS CE C 13 40.187 0.2 . 1 . . . . 45 LYS CE . 15011 1 544 . 1 1 45 45 LYS N N 15 119.04 0.2 . 1 . . . . 45 LYS N . 15011 1 545 . 1 1 46 46 GLU H H 1 8.725 0.001 . 1 . . . . 46 GLU H . 15011 1 546 . 1 1 46 46 GLU HA H 1 4.33 0.001 . 1 . . . . 46 GLU HA . 15011 1 547 . 1 1 46 46 GLU HB2 H 1 2.004 0.001 . 2 . . . . 46 GLU HB1 . 15011 1 548 . 1 1 46 46 GLU HB3 H 1 2.354 0.001 . 2 . . . . 46 GLU HB2 . 15011 1 549 . 1 1 46 46 GLU HG2 H 1 2.782 0.001 . 2 . . . . 46 GLU HG1 . 15011 1 550 . 1 1 46 46 GLU HG3 H 1 2.256 0.001 . 2 . . . . 46 GLU HG2 . 15011 1 551 . 1 1 46 46 GLU C C 13 176.476 0.2 . 1 . . . . 46 GLU C . 15011 1 552 . 1 1 46 46 GLU CA C 13 52.699 0.2 . 1 . . . . 46 GLU CA . 15011 1 553 . 1 1 46 46 GLU CB C 13 27.644 0.2 . 1 . . . . 46 GLU CB . 15011 1 554 . 1 1 46 46 GLU CG C 13 32.23 0.2 . 1 . . . . 46 GLU CG . 15011 1 555 . 1 1 46 46 GLU N N 15 114.679 0.2 . 1 . . . . 46 GLU N . 15011 1 556 . 1 1 47 47 ARG H H 1 7.617 0.001 . 1 . . . . 47 ARG H . 15011 1 557 . 1 1 47 47 ARG HA H 1 4.207 0.001 . 1 . . . . 47 ARG HA . 15011 1 558 . 1 1 47 47 ARG HB2 H 1 1.648 0.001 . 2 . . . . 47 ARG HB1 . 15011 1 559 . 1 1 47 47 ARG HB3 H 1 1.787 0.001 . 2 . . . . 47 ARG HB2 . 15011 1 560 . 1 1 47 47 ARG HG2 H 1 1.375 0.001 . 2 . . . . 47 ARG HG1 . 15011 1 561 . 1 1 47 47 ARG HG3 H 1 1.442 0.001 . 2 . . . . 47 ARG HG2 . 15011 1 562 . 1 1 47 47 ARG HD2 H 1 2.959 0.001 . 2 . . . . 47 ARG HD1 . 15011 1 563 . 1 1 47 47 ARG C C 13 173.736 0.2 . 1 . . . . 47 ARG C . 15011 1 564 . 1 1 47 47 ARG CA C 13 55.075 0.2 . 1 . . . . 47 ARG CA . 15011 1 565 . 1 1 47 47 ARG CB C 13 31.029 0.2 . 1 . . . . 47 ARG CB . 15011 1 566 . 1 1 47 47 ARG CD C 13 40.079 0.2 . 1 . . . . 47 ARG CD . 15011 1 567 . 1 1 47 47 ARG N N 15 113.015 0.2 . 1 . . . . 47 ARG N . 15011 1 568 . 1 1 48 48 PRO HA H 1 4.143 0.001 . 1 . . . . 48 PRO HA . 15011 1 569 . 1 1 48 48 PRO HB2 H 1 1.777 0.001 . 2 . . . . 48 PRO HB1 . 15011 1 570 . 1 1 48 48 PRO HB3 H 1 1.591 0.001 . 2 . . . . 48 PRO HB2 . 15011 1 571 . 1 1 48 48 PRO HG2 H 1 1.484 0.001 . 2 . . . . 48 PRO HG1 . 15011 1 572 . 1 1 48 48 PRO HD2 H 1 3.382 0.001 . 2 . . . . 48 PRO HD1 . 15011 1 573 . 1 1 48 48 PRO HD3 H 1 3.664 0.001 . 2 . . . . 48 PRO HD2 . 15011 1 574 . 1 1 48 48 PRO C C 13 174.039 0.2 . 1 . . . . 48 PRO C . 15011 1 575 . 1 1 48 48 PRO CA C 13 60.508 0.2 . 1 . . . . 48 PRO CA . 15011 1 576 . 1 1 48 48 PRO CB C 13 29.079 0.2 . 1 . . . . 48 PRO CB . 15011 1 577 . 1 1 48 48 PRO CG C 13 25.193 0.2 . 1 . . . . 48 PRO CG . 15011 1 578 . 1 1 48 48 PRO CD C 13 48.709 0.2 . 1 . . . . 48 PRO CD . 15011 1 579 . 1 1 49 49 ASP H H 1 8.206 0.001 . 1 . . . . 49 ASP H . 15011 1 580 . 1 1 49 49 ASP HA H 1 4.456 0.001 . 1 . . . . 49 ASP HA . 15011 1 581 . 1 1 49 49 ASP HB2 H 1 2.673 0.001 . 2 . . . . 49 ASP HB1 . 15011 1 582 . 1 1 49 49 ASP HB3 H 1 2.707 0.001 . 2 . . . . 49 ASP HB2 . 15011 1 583 . 1 1 49 49 ASP C C 13 175.586 0.2 . 1 . . . . 49 ASP C . 15011 1 584 . 1 1 49 49 ASP CA C 13 54.536 0.2 . 1 . . . . 49 ASP CA . 15011 1 585 . 1 1 49 49 ASP CB C 13 41.419 0.2 . 1 . . . . 49 ASP CB . 15011 1 586 . 1 1 49 49 ASP N N 15 119.533 0.2 . 1 . . . . 49 ASP N . 15011 1 587 . 1 1 50 50 LEU H H 1 7.652 0.001 . 1 . . . . 50 LEU H . 15011 1 588 . 1 1 50 50 LEU HA H 1 5.095 0.001 . 1 . . . . 50 LEU HA . 15011 1 589 . 1 1 50 50 LEU HB2 H 1 1.296 0.001 . 2 . . . . 50 LEU HB1 . 15011 1 590 . 1 1 50 50 LEU HD11 H 1 0.616 0.001 . 1 . . . . 50 LEU HD1 . 15011 1 591 . 1 1 50 50 LEU HD12 H 1 0.616 0.001 . 1 . . . . 50 LEU HD1 . 15011 1 592 . 1 1 50 50 LEU HD13 H 1 0.616 0.001 . 1 . . . . 50 LEU HD1 . 15011 1 593 . 1 1 50 50 LEU HD21 H 1 0.499 0.001 . 1 . . . . 50 LEU HD2 . 15011 1 594 . 1 1 50 50 LEU HD22 H 1 0.499 0.001 . 1 . . . . 50 LEU HD2 . 15011 1 595 . 1 1 50 50 LEU HD23 H 1 0.499 0.001 . 1 . . . . 50 LEU HD2 . 15011 1 596 . 1 1 50 50 LEU C C 13 173.501 0.2 . 1 . . . . 50 LEU C . 15011 1 597 . 1 1 50 50 LEU CA C 13 51.881 0.2 . 1 . . . . 50 LEU CA . 15011 1 598 . 1 1 50 50 LEU CB C 13 44.901 0.2 . 1 . . . . 50 LEU CB . 15011 1 599 . 1 1 50 50 LEU CD1 C 13 22.622 0.2 . 2 . . . . 50 LEU CD1 . 15011 1 600 . 1 1 50 50 LEU CD2 C 13 24.885 0.2 . 2 . . . . 50 LEU CD2 . 15011 1 601 . 1 1 50 50 LEU N N 15 118.322 0.2 . 1 . . . . 50 LEU N . 15011 1 602 . 1 1 51 51 VAL H H 1 8.864 0.001 . 1 . . . . 51 VAL H . 15011 1 603 . 1 1 51 51 VAL HA H 1 5.022 0.001 . 1 . . . . 51 VAL HA . 15011 1 604 . 1 1 51 51 VAL HB H 1 1.897 0.001 . 1 . . . . 51 VAL HB . 15011 1 605 . 1 1 51 51 VAL HG11 H 1 0.796 0.001 . 1 . . . . 51 VAL HG1 . 15011 1 606 . 1 1 51 51 VAL HG12 H 1 0.796 0.001 . 1 . . . . 51 VAL HG1 . 15011 1 607 . 1 1 51 51 VAL HG13 H 1 0.796 0.001 . 1 . . . . 51 VAL HG1 . 15011 1 608 . 1 1 51 51 VAL HG21 H 1 0.714 0.001 . 1 . . . . 51 VAL HG2 . 15011 1 609 . 1 1 51 51 VAL HG22 H 1 0.714 0.001 . 1 . . . . 51 VAL HG2 . 15011 1 610 . 1 1 51 51 VAL HG23 H 1 0.714 0.001 . 1 . . . . 51 VAL HG2 . 15011 1 611 . 1 1 51 51 VAL C C 13 173.878 0.2 . 1 . . . . 51 VAL C . 15011 1 612 . 1 1 51 51 VAL CA C 13 57.766 0.2 . 1 . . . . 51 VAL CA . 15011 1 613 . 1 1 51 51 VAL CB C 13 33.456 0.2 . 1 . . . . 51 VAL CB . 15011 1 614 . 1 1 51 51 VAL CG1 C 13 19.052 0.2 . 2 . . . . 51 VAL CG1 . 15011 1 615 . 1 1 51 51 VAL CG2 C 13 19.802 0.2 . 2 . . . . 51 VAL CG2 . 15011 1 616 . 1 1 51 51 VAL N N 15 125.943 0.2 . 1 . . . . 51 VAL N . 15011 1 617 . 1 1 52 52 LEU H H 1 8.976 0.001 . 1 . . . . 52 LEU H . 15011 1 618 . 1 1 52 52 LEU HA H 1 5.123 0.001 . 1 . . . . 52 LEU HA . 15011 1 619 . 1 1 52 52 LEU HB2 H 1 1.585 0.001 . 2 . . . . 52 LEU HB1 . 15011 1 620 . 1 1 52 52 LEU HB3 H 1 1.523 0.001 . 2 . . . . 52 LEU HB2 . 15011 1 621 . 1 1 52 52 LEU HG H 1 1.389 0.001 . 1 . . . . 52 LEU HG . 15011 1 622 . 1 1 52 52 LEU HD11 H 1 0.862 0.001 . 1 . . . . 52 LEU HD1 . 15011 1 623 . 1 1 52 52 LEU HD12 H 1 0.862 0.001 . 1 . . . . 52 LEU HD1 . 15011 1 624 . 1 1 52 52 LEU HD13 H 1 0.862 0.001 . 1 . . . . 52 LEU HD1 . 15011 1 625 . 1 1 52 52 LEU HD21 H 1 0.676 0.001 . 1 . . . . 52 LEU HD2 . 15011 1 626 . 1 1 52 52 LEU HD22 H 1 0.676 0.001 . 1 . . . . 52 LEU HD2 . 15011 1 627 . 1 1 52 52 LEU HD23 H 1 0.676 0.001 . 1 . . . . 52 LEU HD2 . 15011 1 628 . 1 1 52 52 LEU C C 13 174.283 0.2 . 1 . . . . 52 LEU C . 15011 1 629 . 1 1 52 52 LEU CA C 13 51.411 0.2 . 1 . . . . 52 LEU CA . 15011 1 630 . 1 1 52 52 LEU CB C 13 40.211 0.2 . 1 . . . . 52 LEU CB . 15011 1 631 . 1 1 52 52 LEU CG C 13 26.443 0.2 . 1 . . . . 52 LEU CG . 15011 1 632 . 1 1 52 52 LEU CD2 C 13 23.96 0.2 . 2 . . . . 52 LEU CD2 . 15011 1 633 . 1 1 52 52 LEU N N 15 129.076 0.2 . 1 . . . . 52 LEU N . 15011 1 634 . 1 1 53 53 LEU H H 1 8.789 0.001 . 1 . . . . 53 LEU H . 15011 1 635 . 1 1 53 53 LEU HA H 1 4.755 0.001 . 1 . . . . 53 LEU HA . 15011 1 636 . 1 1 53 53 LEU HB2 H 1 1.764 0.001 . 2 . . . . 53 LEU HB1 . 15011 1 637 . 1 1 53 53 LEU HB3 H 1 1.666 0.001 . 2 . . . . 53 LEU HB2 . 15011 1 638 . 1 1 53 53 LEU HG H 1 1.389 0.001 . 1 . . . . 53 LEU HG . 15011 1 639 . 1 1 53 53 LEU HD11 H 1 0.698 0.001 . 1 . . . . 53 LEU HD1 . 15011 1 640 . 1 1 53 53 LEU HD12 H 1 0.698 0.001 . 1 . . . . 53 LEU HD1 . 15011 1 641 . 1 1 53 53 LEU HD13 H 1 0.698 0.001 . 1 . . . . 53 LEU HD1 . 15011 1 642 . 1 1 53 53 LEU HD21 H 1 0.861 0.001 . 1 . . . . 53 LEU HD2 . 15011 1 643 . 1 1 53 53 LEU HD22 H 1 0.861 0.001 . 1 . . . . 53 LEU HD2 . 15011 1 644 . 1 1 53 53 LEU HD23 H 1 0.861 0.001 . 1 . . . . 53 LEU HD2 . 15011 1 645 . 1 1 53 53 LEU C C 13 173.981 0.2 . 1 . . . . 53 LEU C . 15011 1 646 . 1 1 53 53 LEU CA C 13 51.328 0.2 . 1 . . . . 53 LEU CA . 15011 1 647 . 1 1 53 53 LEU CB C 13 44.967 0.2 . 1 . . . . 53 LEU CB . 15011 1 648 . 1 1 53 53 LEU CD1 C 13 21.451 0.2 . 2 . . . . 53 LEU CD1 . 15011 1 649 . 1 1 53 53 LEU CD2 C 13 25.237 0.2 . 2 . . . . 53 LEU CD2 . 15011 1 650 . 1 1 53 53 LEU N N 15 126.51 0.2 . 1 . . . . 53 LEU N . 15011 1 651 . 1 1 54 54 ASP H H 1 8.35 0.001 . 1 . . . . 54 ASP H . 15011 1 652 . 1 1 54 54 ASP HA H 1 4.887 0.001 . 1 . . . . 54 ASP HA . 15011 1 653 . 1 1 54 54 ASP HB2 H 1 2.982 0.001 . 2 . . . . 54 ASP HB1 . 15011 1 654 . 1 1 54 54 ASP HB3 H 1 2.728 0.001 . 2 . . . . 54 ASP HB2 . 15011 1 655 . 1 1 54 54 ASP C C 13 175.978 0.2 . 1 . . . . 54 ASP C . 15011 1 656 . 1 1 54 54 ASP CA C 13 52.689 0.2 . 1 . . . . 54 ASP CA . 15011 1 657 . 1 1 54 54 ASP CB C 13 41.505 0.2 . 1 . . . . 54 ASP CB . 15011 1 658 . 1 1 54 54 ASP N N 15 129.385 0.2 . 1 . . . . 54 ASP N . 15011 1 659 . 1 1 55 55 MET H H 1 7.991 0.001 . 1 . . . . 55 MET H . 15011 1 660 . 1 1 55 55 MET HA H 1 4.596 0.001 . 1 . . . . 55 MET HA . 15011 1 661 . 1 1 55 55 MET HB2 H 1 2.424 0.001 . 2 . . . . 55 MET HB1 . 15011 1 662 . 1 1 55 55 MET HB3 H 1 1.945 0.001 . 2 . . . . 55 MET HB2 . 15011 1 663 . 1 1 55 55 MET HG2 H 1 2.721 0.001 . 2 . . . . 55 MET HG1 . 15011 1 664 . 1 1 55 55 MET HG3 H 1 2.434 0.001 . 2 . . . . 55 MET HG2 . 15011 1 665 . 1 1 55 55 MET HE1 H 1 1.911 0.001 . 1 . . . . 55 MET HE . 15011 1 666 . 1 1 55 55 MET HE2 H 1 1.911 0.001 . 1 . . . . 55 MET HE . 15011 1 667 . 1 1 55 55 MET HE3 H 1 1.911 0.001 . 1 . . . . 55 MET HE . 15011 1 668 . 1 1 55 55 MET C C 13 177.593 0.2 . 1 . . . . 55 MET C . 15011 1 669 . 1 1 55 55 MET CA C 13 53.044 0.2 . 1 . . . . 55 MET CA . 15011 1 670 . 1 1 55 55 MET CB C 13 30.313 0.2 . 1 . . . . 55 MET CB . 15011 1 671 . 1 1 55 55 MET CG C 13 32.542 0.2 . 1 . . . . 55 MET CG . 15011 1 672 . 1 1 55 55 MET CE C 13 15.535 0.2 . 1 . . . . 55 MET CE . 15011 1 673 . 1 1 55 55 MET N N 15 120.966 0.2 . 1 . . . . 55 MET N . 15011 1 674 . 1 1 56 56 LYS H H 1 8.762 0.001 . 1 . . . . 56 LYS H . 15011 1 675 . 1 1 56 56 LYS HA H 1 4.595 0.001 . 1 . . . . 56 LYS HA . 15011 1 676 . 1 1 56 56 LYS HB2 H 1 1.755 0.001 . 2 . . . . 56 LYS HB1 . 15011 1 677 . 1 1 56 56 LYS HB3 H 1 2.079 0.001 . 2 . . . . 56 LYS HB2 . 15011 1 678 . 1 1 56 56 LYS HG2 H 1 1.526 0.001 . 2 . . . . 56 LYS HG1 . 15011 1 679 . 1 1 56 56 LYS HG3 H 1 1.349 0.001 . 2 . . . . 56 LYS HG2 . 15011 1 680 . 1 1 56 56 LYS HD2 H 1 1.74 0.001 . 2 . . . . 56 LYS HD1 . 15011 1 681 . 1 1 56 56 LYS HE2 H 1 2.883 0.001 . 2 . . . . 56 LYS HE1 . 15011 1 682 . 1 1 56 56 LYS HE3 H 1 3.007 0.001 . 2 . . . . 56 LYS HE2 . 15011 1 683 . 1 1 56 56 LYS C C 13 176.01 0.2 . 1 . . . . 56 LYS C . 15011 1 684 . 1 1 56 56 LYS CA C 13 51.889 0.2 . 1 . . . . 56 LYS CA . 15011 1 685 . 1 1 56 56 LYS CB C 13 28.988 0.2 . 1 . . . . 56 LYS CB . 15011 1 686 . 1 1 56 56 LYS CG C 13 22.709 0.2 . 1 . . . . 56 LYS CG . 15011 1 687 . 1 1 56 56 LYS CD C 13 26.486 0.2 . 1 . . . . 56 LYS CD . 15011 1 688 . 1 1 56 56 LYS CE C 13 39.782 0.2 . 1 . . . . 56 LYS CE . 15011 1 689 . 1 1 56 56 LYS N N 15 121.743 0.2 . 1 . . . . 56 LYS N . 15011 1 690 . 1 1 57 57 ILE H H 1 7.407 0.001 . 1 . . . . 57 ILE H . 15011 1 691 . 1 1 57 57 ILE HA H 1 4.197 0.001 . 1 . . . . 57 ILE HA . 15011 1 692 . 1 1 57 57 ILE HB H 1 1.907 0.001 . 1 . . . . 57 ILE HB . 15011 1 693 . 1 1 57 57 ILE HG12 H 1 1.093 0.001 . 2 . . . . 57 ILE HG11 . 15011 1 694 . 1 1 57 57 ILE HG13 H 1 1.656 0.001 . 2 . . . . 57 ILE HG12 . 15011 1 695 . 1 1 57 57 ILE HG21 H 1 0.94 0.001 . 1 . . . . 57 ILE HG2 . 15011 1 696 . 1 1 57 57 ILE HG22 H 1 0.94 0.001 . 1 . . . . 57 ILE HG2 . 15011 1 697 . 1 1 57 57 ILE HG23 H 1 0.94 0.001 . 1 . . . . 57 ILE HG2 . 15011 1 698 . 1 1 57 57 ILE HD11 H 1 0.703 0.001 . 1 . . . . 57 ILE HD1 . 15011 1 699 . 1 1 57 57 ILE HD12 H 1 0.703 0.001 . 1 . . . . 57 ILE HD1 . 15011 1 700 . 1 1 57 57 ILE HD13 H 1 0.703 0.001 . 1 . . . . 57 ILE HD1 . 15011 1 701 . 1 1 57 57 ILE C C 13 174.197 0.2 . 1 . . . . 57 ILE C . 15011 1 702 . 1 1 57 57 ILE CA C 13 57.096 0.2 . 1 . . . . 57 ILE CA . 15011 1 703 . 1 1 57 57 ILE CB C 13 36.655 0.2 . 1 . . . . 57 ILE CB . 15011 1 704 . 1 1 57 57 ILE CG1 C 13 25.34 0.2 . 1 . . . . 57 ILE CG1 . 15011 1 705 . 1 1 57 57 ILE CG2 C 13 15.515 0.2 . 1 . . . . 57 ILE CG2 . 15011 1 706 . 1 1 57 57 ILE CD1 C 13 12.224 0.2 . 1 . . . . 57 ILE CD1 . 15011 1 707 . 1 1 57 57 ILE N N 15 124.759 0.2 . 1 . . . . 57 ILE N . 15011 1 708 . 1 1 58 58 PRO HA H 1 4.355 0.001 . 1 . . . . 58 PRO HA . 15011 1 709 . 1 1 58 58 PRO HB2 H 1 2.311 0.001 . 2 . . . . 58 PRO HB1 . 15011 1 710 . 1 1 58 58 PRO HB3 H 1 1.926 0.001 . 2 . . . . 58 PRO HB2 . 15011 1 711 . 1 1 58 58 PRO HG2 H 1 1.995 0.001 . 2 . . . . 58 PRO HG1 . 15011 1 712 . 1 1 58 58 PRO HG3 H 1 2.16 0.001 . 2 . . . . 58 PRO HG2 . 15011 1 713 . 1 1 58 58 PRO HD2 H 1 3.987 0.001 . 2 . . . . 58 PRO HD1 . 15011 1 714 . 1 1 58 58 PRO HD3 H 1 3.653 0.001 . 2 . . . . 58 PRO HD2 . 15011 1 715 . 1 1 58 58 PRO C C 13 177.926 0.2 . 1 . . . . 58 PRO C . 15011 1 716 . 1 1 58 58 PRO CA C 13 61.779 0.2 . 1 . . . . 58 PRO CA . 15011 1 717 . 1 1 58 58 PRO CB C 13 30.242 0.2 . 1 . . . . 58 PRO CB . 15011 1 718 . 1 1 58 58 PRO CG C 13 26.414 0.2 . 1 . . . . 58 PRO CG . 15011 1 719 . 1 1 58 58 PRO CD C 13 49.595 0.2 . 1 . . . . 58 PRO CD . 15011 1 720 . 1 1 59 59 GLY H H 1 8.755 0.001 . 1 . . . . 59 GLY H . 15011 1 721 . 1 1 59 59 GLY HA2 H 1 3.601 0.001 . 2 . . . . 59 GLY HA1 . 15011 1 722 . 1 1 59 59 GLY HA3 H 1 4.257 0.001 . 2 . . . . 59 GLY HA2 . 15011 1 723 . 1 1 59 59 GLY C C 13 173.648 0.2 . 1 . . . . 59 GLY C . 15011 1 724 . 1 1 59 59 GLY CA C 13 43.61 0.2 . 1 . . . . 59 GLY CA . 15011 1 725 . 1 1 59 59 GLY N N 15 112.253 0.2 . 1 . . . . 59 GLY N . 15011 1 726 . 1 1 60 60 MET H H 1 7.697 0.001 . 1 . . . . 60 MET H . 15011 1 727 . 1 1 60 60 MET HA H 1 4.456 0.001 . 1 . . . . 60 MET HA . 15011 1 728 . 1 1 60 60 MET HB2 H 1 2.546 0.001 . 2 . . . . 60 MET HB1 . 15011 1 729 . 1 1 60 60 MET HB3 H 1 2.5 0.001 . 2 . . . . 60 MET HB2 . 15011 1 730 . 1 1 60 60 MET HG2 H 1 2.01 0.001 . 2 . . . . 60 MET HG1 . 15011 1 731 . 1 1 60 60 MET HG3 H 1 2.152 0.001 . 2 . . . . 60 MET HG2 . 15011 1 732 . 1 1 60 60 MET HE1 H 1 1.97 0.001 . 1 . . . . 60 MET HE . 15011 1 733 . 1 1 60 60 MET HE2 H 1 1.97 0.001 . 1 . . . . 60 MET HE . 15011 1 734 . 1 1 60 60 MET HE3 H 1 1.97 0.001 . 1 . . . . 60 MET HE . 15011 1 735 . 1 1 60 60 MET C C 13 173.7 0.2 . 1 . . . . 60 MET C . 15011 1 736 . 1 1 60 60 MET CA C 13 53.472 0.2 . 1 . . . . 60 MET CA . 15011 1 737 . 1 1 60 60 MET CB C 13 30.512 0.2 . 1 . . . . 60 MET CB . 15011 1 738 . 1 1 60 60 MET CG C 13 33.231 0.2 . 1 . . . . 60 MET CG . 15011 1 739 . 1 1 60 60 MET CE C 13 15.369 0.2 . 1 . . . . 60 MET CE . 15011 1 740 . 1 1 60 60 MET N N 15 122.549 0.2 . 1 . . . . 60 MET N . 15011 1 741 . 1 1 61 61 ASP HA H 1 4.644 0.001 . 1 . . . . 61 ASP HA . 15011 1 742 . 1 1 61 61 ASP HB2 H 1 2.675 0.001 . 2 . . . . 61 ASP HB1 . 15011 1 743 . 1 1 61 61 ASP HB3 H 1 2.828 0.001 . 2 . . . . 61 ASP HB2 . 15011 1 744 . 1 1 61 61 ASP C C 13 176.922 0.2 . 1 . . . . 61 ASP C . 15011 1 745 . 1 1 61 61 ASP CA C 13 51.456 0.2 . 1 . . . . 61 ASP CA . 15011 1 746 . 1 1 61 61 ASP CB C 13 38.947 0.2 . 1 . . . . 61 ASP CB . 15011 1 747 . 1 1 62 62 GLY H H 1 8.883 0.001 . 1 . . . . 62 GLY H . 15011 1 748 . 1 1 62 62 GLY HA2 H 1 3.608 0.001 . 2 . . . . 62 GLY HA1 . 15011 1 749 . 1 1 62 62 GLY HA3 H 1 4.103 0.001 . 2 . . . . 62 GLY HA2 . 15011 1 750 . 1 1 62 62 GLY C C 13 174.989 0.2 . 1 . . . . 62 GLY C . 15011 1 751 . 1 1 62 62 GLY CA C 13 46.136 0.2 . 1 . . . . 62 GLY CA . 15011 1 752 . 1 1 62 62 GLY N N 15 111.761 0.2 . 1 . . . . 62 GLY N . 15011 1 753 . 1 1 63 63 ILE H H 1 8.08 0.001 . 1 . . . . 63 ILE H . 15011 1 754 . 1 1 63 63 ILE HA H 1 3.718 0.001 . 1 . . . . 63 ILE HA . 15011 1 755 . 1 1 63 63 ILE HB H 1 2.104 0.001 . 1 . . . . 63 ILE HB . 15011 1 756 . 1 1 63 63 ILE HG12 H 1 1.417 0.001 . 2 . . . . 63 ILE HG11 . 15011 1 757 . 1 1 63 63 ILE HG13 H 1 1.389 0.001 . 2 . . . . 63 ILE HG12 . 15011 1 758 . 1 1 63 63 ILE HG21 H 1 0.787 0.001 . 1 . . . . 63 ILE HG2 . 15011 1 759 . 1 1 63 63 ILE HG22 H 1 0.787 0.001 . 1 . . . . 63 ILE HG2 . 15011 1 760 . 1 1 63 63 ILE HG23 H 1 0.787 0.001 . 1 . . . . 63 ILE HG2 . 15011 1 761 . 1 1 63 63 ILE HD11 H 1 0.642 0.001 . 1 . . . . 63 ILE HD1 . 15011 1 762 . 1 1 63 63 ILE HD12 H 1 0.642 0.001 . 1 . . . . 63 ILE HD1 . 15011 1 763 . 1 1 63 63 ILE HD13 H 1 0.642 0.001 . 1 . . . . 63 ILE HD1 . 15011 1 764 . 1 1 63 63 ILE C C 13 177.292 0.2 . 1 . . . . 63 ILE C . 15011 1 765 . 1 1 63 63 ILE CA C 13 60.028 0.2 . 1 . . . . 63 ILE CA . 15011 1 766 . 1 1 63 63 ILE CB C 13 33.932 0.2 . 1 . . . . 63 ILE CB . 15011 1 767 . 1 1 63 63 ILE CG1 C 13 25.332 0.2 . 1 . . . . 63 ILE CG1 . 15011 1 768 . 1 1 63 63 ILE CG2 C 13 15.422 0.2 . 1 . . . . 63 ILE CG2 . 15011 1 769 . 1 1 63 63 ILE CD1 C 13 8.398 0.2 . 1 . . . . 63 ILE CD1 . 15011 1 770 . 1 1 63 63 ILE N N 15 121.023 0.2 . 1 . . . . 63 ILE N . 15011 1 771 . 1 1 64 64 GLU H H 1 7.436 0.001 . 1 . . . . 64 GLU H . 15011 1 772 . 1 1 64 64 GLU HA H 1 3.982 0.001 . 1 . . . . 64 GLU HA . 15011 1 773 . 1 1 64 64 GLU HB2 H 1 2.053 0.001 . 2 . . . . 64 GLU HB1 . 15011 1 774 . 1 1 64 64 GLU HG2 H 1 2.262 0.001 . 2 . . . . 64 GLU HG1 . 15011 1 775 . 1 1 64 64 GLU C C 13 179.145 0.2 . 1 . . . . 64 GLU C . 15011 1 776 . 1 1 64 64 GLU CA C 13 56.429 0.2 . 1 . . . . 64 GLU CA . 15011 1 777 . 1 1 64 64 GLU CB C 13 26.487 0.2 . 1 . . . . 64 GLU CB . 15011 1 778 . 1 1 64 64 GLU CG C 13 33.954 0.2 . 1 . . . . 64 GLU CG . 15011 1 779 . 1 1 64 64 GLU N N 15 121.454 0.2 . 1 . . . . 64 GLU N . 15011 1 780 . 1 1 65 65 ILE H H 1 8.122 0.001 . 1 . . . . 65 ILE H . 15011 1 781 . 1 1 65 65 ILE HA H 1 3.559 0.001 . 1 . . . . 65 ILE HA . 15011 1 782 . 1 1 65 65 ILE HB H 1 2.052 0.001 . 1 . . . . 65 ILE HB . 15011 1 783 . 1 1 65 65 ILE HG12 H 1 1.309 0.001 . 2 . . . . 65 ILE HG11 . 15011 1 784 . 1 1 65 65 ILE HG13 H 1 1.573 0.001 . 2 . . . . 65 ILE HG12 . 15011 1 785 . 1 1 65 65 ILE HG21 H 1 0.828 0.001 . 1 . . . . 65 ILE HG2 . 15011 1 786 . 1 1 65 65 ILE HG22 H 1 0.828 0.001 . 1 . . . . 65 ILE HG2 . 15011 1 787 . 1 1 65 65 ILE HG23 H 1 0.828 0.001 . 1 . . . . 65 ILE HG2 . 15011 1 788 . 1 1 65 65 ILE HD11 H 1 0.697 0.001 . 1 . . . . 65 ILE HD1 . 15011 1 789 . 1 1 65 65 ILE HD12 H 1 0.697 0.001 . 1 . . . . 65 ILE HD1 . 15011 1 790 . 1 1 65 65 ILE HD13 H 1 0.697 0.001 . 1 . . . . 65 ILE HD1 . 15011 1 791 . 1 1 65 65 ILE C C 13 177.488 0.2 . 1 . . . . 65 ILE C . 15011 1 792 . 1 1 65 65 ILE CA C 13 62.628 0.2 . 1 . . . . 65 ILE CA . 15011 1 793 . 1 1 65 65 ILE CB C 13 34.102 0.2 . 1 . . . . 65 ILE CB . 15011 1 794 . 1 1 65 65 ILE CG1 C 13 25.858 0.2 . 1 . . . . 65 ILE CG1 . 15011 1 795 . 1 1 65 65 ILE CG2 C 13 15.278 0.2 . 1 . . . . 65 ILE CG2 . 15011 1 796 . 1 1 65 65 ILE CD1 C 13 10.032 0.2 . 1 . . . . 65 ILE CD1 . 15011 1 797 . 1 1 65 65 ILE N N 15 119.195 0.2 . 1 . . . . 65 ILE N . 15011 1 798 . 1 1 66 66 LEU H H 1 8.16 0.001 . 1 . . . . 66 LEU H . 15011 1 799 . 1 1 66 66 LEU HA H 1 3.832 0.001 . 1 . . . . 66 LEU HA . 15011 1 800 . 1 1 66 66 LEU HB2 H 1 1.888 0.001 . 2 . . . . 66 LEU HB1 . 15011 1 801 . 1 1 66 66 LEU HB3 H 1 1.525 0.001 . 2 . . . . 66 LEU HB2 . 15011 1 802 . 1 1 66 66 LEU HG H 1 1.522 0.001 . 1 . . . . 66 LEU HG . 15011 1 803 . 1 1 66 66 LEU HD11 H 1 0.762 0.001 . 1 . . . . 66 LEU HD1 . 15011 1 804 . 1 1 66 66 LEU HD12 H 1 0.762 0.001 . 1 . . . . 66 LEU HD1 . 15011 1 805 . 1 1 66 66 LEU HD13 H 1 0.762 0.001 . 1 . . . . 66 LEU HD1 . 15011 1 806 . 1 1 66 66 LEU HD21 H 1 0.793 0.001 . 1 . . . . 66 LEU HD2 . 15011 1 807 . 1 1 66 66 LEU HD22 H 1 0.793 0.001 . 1 . . . . 66 LEU HD2 . 15011 1 808 . 1 1 66 66 LEU HD23 H 1 0.793 0.001 . 1 . . . . 66 LEU HD2 . 15011 1 809 . 1 1 66 66 LEU C C 13 178.445 0.2 . 1 . . . . 66 LEU C . 15011 1 810 . 1 1 66 66 LEU CA C 13 56.921 0.2 . 1 . . . . 66 LEU CA . 15011 1 811 . 1 1 66 66 LEU CB C 13 39.856 0.2 . 1 . . . . 66 LEU CB . 15011 1 812 . 1 1 66 66 LEU CG C 13 25.341 0.2 . 1 . . . . 66 LEU CG . 15011 1 813 . 1 1 66 66 LEU CD1 C 13 22.577 0.2 . 2 . . . . 66 LEU CD1 . 15011 1 814 . 1 1 66 66 LEU CD2 C 13 24.396 0.2 . 2 . . . . 66 LEU CD2 . 15011 1 815 . 1 1 66 66 LEU N N 15 122.501 0.2 . 1 . . . . 66 LEU N . 15011 1 816 . 1 1 67 67 LYS H H 1 8.229 0.001 . 1 . . . . 67 LYS H . 15011 1 817 . 1 1 67 67 LYS HA H 1 3.757 0.001 . 1 . . . . 67 LYS HA . 15011 1 818 . 1 1 67 67 LYS HB2 H 1 1.785 0.001 . 2 . . . . 67 LYS HB1 . 15011 1 819 . 1 1 67 67 LYS HB3 H 1 1.839 0.001 . 2 . . . . 67 LYS HB2 . 15011 1 820 . 1 1 67 67 LYS HG2 H 1 1.266 0.001 . 2 . . . . 67 LYS HG1 . 15011 1 821 . 1 1 67 67 LYS HG3 H 1 1.662 0.001 . 2 . . . . 67 LYS HG2 . 15011 1 822 . 1 1 67 67 LYS HD2 H 1 1.592 0.001 . 2 . . . . 67 LYS HD1 . 15011 1 823 . 1 1 67 67 LYS HD3 H 1 1.607 0.001 . 2 . . . . 67 LYS HD2 . 15011 1 824 . 1 1 67 67 LYS HE2 H 1 2.849 0.001 . 2 . . . . 67 LYS HE1 . 15011 1 825 . 1 1 67 67 LYS HE3 H 1 2.753 0.001 . 2 . . . . 67 LYS HE2 . 15011 1 826 . 1 1 67 67 LYS C C 13 179.972 0.2 . 1 . . . . 67 LYS C . 15011 1 827 . 1 1 67 67 LYS CA C 13 58.346 0.2 . 1 . . . . 67 LYS CA . 15011 1 828 . 1 1 67 67 LYS CB C 13 30.153 0.2 . 1 . . . . 67 LYS CB . 15011 1 829 . 1 1 67 67 LYS CG C 13 23.969 0.2 . 1 . . . . 67 LYS CG . 15011 1 830 . 1 1 67 67 LYS CD C 13 27.746 0.2 . 1 . . . . 67 LYS CD . 15011 1 831 . 1 1 67 67 LYS CE C 13 40.208 0.2 . 1 . . . . 67 LYS CE . 15011 1 832 . 1 1 67 67 LYS N N 15 117.855 0.2 . 1 . . . . 67 LYS N . 15011 1 833 . 1 1 68 68 ARG H H 1 8.237 0.001 . 1 . . . . 68 ARG H . 15011 1 834 . 1 1 68 68 ARG HA H 1 3.918 0.001 . 1 . . . . 68 ARG HA . 15011 1 835 . 1 1 68 68 ARG HB2 H 1 1.876 0.001 . 2 . . . . 68 ARG HB1 . 15011 1 836 . 1 1 68 68 ARG HB3 H 1 1.95 0.001 . 2 . . . . 68 ARG HB2 . 15011 1 837 . 1 1 68 68 ARG HG2 H 1 1.7 0.001 . 2 . . . . 68 ARG HG2 . 15011 1 838 . 1 1 68 68 ARG HD2 H 1 3.042 0.001 . 2 . . . . 68 ARG HD1 . 15011 1 839 . 1 1 68 68 ARG C C 13 179.879 0.2 . 1 . . . . 68 ARG C . 15011 1 840 . 1 1 68 68 ARG CA C 13 57.226 0.2 . 1 . . . . 68 ARG CA . 15011 1 841 . 1 1 68 68 ARG CB C 13 27.596 0.2 . 1 . . . . 68 ARG CB . 15011 1 842 . 1 1 68 68 ARG CG C 13 27.182 0.2 . 1 . . . . 68 ARG CG . 15011 1 843 . 1 1 68 68 ARG CD C 13 41.505 0.2 . 1 . . . . 68 ARG CD . 15011 1 844 . 1 1 68 68 ARG N N 15 118.541 0.2 . 1 . . . . 68 ARG N . 15011 1 845 . 1 1 69 69 MET H H 1 8.854 0.001 . 1 . . . . 69 MET H . 15011 1 846 . 1 1 69 69 MET HA H 1 3.743 0.001 . 1 . . . . 69 MET HA . 15011 1 847 . 1 1 69 69 MET HB2 H 1 2.263 0.001 . 2 . . . . 69 MET HB1 . 15011 1 848 . 1 1 69 69 MET HB3 H 1 1.805 0.001 . 2 . . . . 69 MET HB2 . 15011 1 849 . 1 1 69 69 MET HG2 H 1 2.018 0.001 . 2 . . . . 69 MET HG1 . 15011 1 850 . 1 1 69 69 MET HG3 H 1 3.043 0.001 . 2 . . . . 69 MET HG2 . 15011 1 851 . 1 1 69 69 MET HE1 H 1 1.74 0.001 . 1 . . . . 69 MET HE . 15011 1 852 . 1 1 69 69 MET HE2 H 1 1.74 0.001 . 1 . . . . 69 MET HE . 15011 1 853 . 1 1 69 69 MET HE3 H 1 1.74 0.001 . 1 . . . . 69 MET HE . 15011 1 854 . 1 1 69 69 MET C C 13 176.676 0.2 . 1 . . . . 69 MET C . 15011 1 855 . 1 1 69 69 MET CA C 13 59.047 0.2 . 1 . . . . 69 MET CA . 15011 1 856 . 1 1 69 69 MET CB C 13 29.69 0.2 . 1 . . . . 69 MET CB . 15011 1 857 . 1 1 69 69 MET CG C 13 32.843 0.2 . 1 . . . . 69 MET CG . 15011 1 858 . 1 1 69 69 MET CE C 13 15.752 0.2 . 1 . . . . 69 MET CE . 15011 1 859 . 1 1 69 69 MET N N 15 120.946 0.2 . 1 . . . . 69 MET N . 15011 1 860 . 1 1 70 70 LYS H H 1 7.551 0.001 . 1 . . . . 70 LYS H . 15011 1 861 . 1 1 70 70 LYS HA H 1 4.067 0.001 . 1 . . . . 70 LYS HA . 15011 1 862 . 1 1 70 70 LYS HB2 H 1 1.827 0.001 . 2 . . . . 70 LYS HB1 . 15011 1 863 . 1 1 70 70 LYS HB3 H 1 1.592 0.001 . 2 . . . . 70 LYS HB2 . 15011 1 864 . 1 1 70 70 LYS HG2 H 1 1.357 0.001 . 2 . . . . 70 LYS HG1 . 15011 1 865 . 1 1 70 70 LYS HG3 H 1 1.54 0.001 . 2 . . . . 70 LYS HG2 . 15011 1 866 . 1 1 70 70 LYS HD2 H 1 1.819 0.001 . 2 . . . . 70 LYS HD1 . 15011 1 867 . 1 1 70 70 LYS HD3 H 1 1.699 0.001 . 2 . . . . 70 LYS HD2 . 15011 1 868 . 1 1 70 70 LYS HE2 H 1 3.04 0.001 . 2 . . . . 70 LYS HE1 . 15011 1 869 . 1 1 70 70 LYS HE3 H 1 2.879 0.001 . 2 . . . . 70 LYS HE2 . 15011 1 870 . 1 1 70 70 LYS C C 13 178.076 0.2 . 1 . . . . 70 LYS C . 15011 1 871 . 1 1 70 70 LYS CA C 13 55.176 0.2 . 1 . . . . 70 LYS CA . 15011 1 872 . 1 1 70 70 LYS CB C 13 30.194 0.2 . 1 . . . . 70 LYS CB . 15011 1 873 . 1 1 70 70 LYS CG C 13 22.681 0.2 . 1 . . . . 70 LYS CG . 15011 1 874 . 1 1 70 70 LYS CD C 13 27.638 0.2 . 1 . . . . 70 LYS CD . 15011 1 875 . 1 1 70 70 LYS CE C 13 40.226 0.2 . 1 . . . . 70 LYS CE . 15011 1 876 . 1 1 70 70 LYS N N 15 116.813 0.2 . 1 . . . . 70 LYS N . 15011 1 877 . 1 1 71 71 VAL H H 1 7.163 0.001 . 1 . . . . 71 VAL H . 15011 1 878 . 1 1 71 71 VAL HA H 1 3.674 0.001 . 1 . . . . 71 VAL HA . 15011 1 879 . 1 1 71 71 VAL HB H 1 2.097 0.001 . 1 . . . . 71 VAL HB . 15011 1 880 . 1 1 71 71 VAL HG11 H 1 1.007 0.001 . 1 . . . . 71 VAL HG1 . 15011 1 881 . 1 1 71 71 VAL HG12 H 1 1.007 0.001 . 1 . . . . 71 VAL HG1 . 15011 1 882 . 1 1 71 71 VAL HG13 H 1 1.007 0.001 . 1 . . . . 71 VAL HG1 . 15011 1 883 . 1 1 71 71 VAL HG21 H 1 0.864 0.001 . 1 . . . . 71 VAL HG2 . 15011 1 884 . 1 1 71 71 VAL HG22 H 1 0.864 0.001 . 1 . . . . 71 VAL HG2 . 15011 1 885 . 1 1 71 71 VAL HG23 H 1 0.864 0.001 . 1 . . . . 71 VAL HG2 . 15011 1 886 . 1 1 71 71 VAL C C 13 178.108 0.2 . 1 . . . . 71 VAL C . 15011 1 887 . 1 1 71 71 VAL CA C 13 63.219 0.2 . 1 . . . . 71 VAL CA . 15011 1 888 . 1 1 71 71 VAL CB C 13 30.159 0.2 . 1 . . . . 71 VAL CB . 15011 1 889 . 1 1 71 71 VAL CG1 C 13 19.974 0.2 . 2 . . . . 71 VAL CG1 . 15011 1 890 . 1 1 71 71 VAL CG2 C 13 18.957 0.2 . 2 . . . . 71 VAL CG2 . 15011 1 891 . 1 1 71 71 VAL N N 15 118.022 0.2 . 1 . . . . 71 VAL N . 15011 1 892 . 1 1 72 72 ILE H H 1 7.237 0.001 . 1 . . . . 72 ILE H . 15011 1 893 . 1 1 72 72 ILE HA H 1 3.552 0.001 . 1 . . . . 72 ILE HA . 15011 1 894 . 1 1 72 72 ILE HB H 1 1.711 0.001 . 1 . . . . 72 ILE HB . 15011 1 895 . 1 1 72 72 ILE HG12 H 1 0.956 0.001 . 2 . . . . 72 ILE HG11 . 15011 1 896 . 1 1 72 72 ILE HG13 H 1 1.672 0.001 . 2 . . . . 72 ILE HG12 . 15011 1 897 . 1 1 72 72 ILE HG21 H 1 0.78 0.001 . 1 . . . . 72 ILE HG2 . 15011 1 898 . 1 1 72 72 ILE HG22 H 1 0.78 0.001 . 1 . . . . 72 ILE HG2 . 15011 1 899 . 1 1 72 72 ILE HG23 H 1 0.78 0.001 . 1 . . . . 72 ILE HG2 . 15011 1 900 . 1 1 72 72 ILE HD11 H 1 0.844 0.001 . 1 . . . . 72 ILE HD1 . 15011 1 901 . 1 1 72 72 ILE HD12 H 1 0.844 0.001 . 1 . . . . 72 ILE HD1 . 15011 1 902 . 1 1 72 72 ILE HD13 H 1 0.844 0.001 . 1 . . . . 72 ILE HD1 . 15011 1 903 . 1 1 72 72 ILE C C 13 176.481 0.2 . 1 . . . . 72 ILE C . 15011 1 904 . 1 1 72 72 ILE CA C 13 62.683 0.2 . 1 . . . . 72 ILE CA . 15011 1 905 . 1 1 72 72 ILE CB C 13 36.481 0.2 . 1 . . . . 72 ILE CB . 15011 1 906 . 1 1 72 72 ILE CG1 C 13 26.43 0.2 . 1 . . . . 72 ILE CG1 . 15011 1 907 . 1 1 72 72 ILE CG2 C 13 12.777 0.2 . 1 . . . . 72 ILE CG2 . 15011 1 908 . 1 1 72 72 ILE CD1 C 13 15.275 0.2 . 1 . . . . 72 ILE CD1 . 15011 1 909 . 1 1 72 72 ILE N N 15 121.687 0.2 . 1 . . . . 72 ILE N . 15011 1 910 . 1 1 73 73 ASP H H 1 8.035 0.001 . 1 . . . . 73 ASP H . 15011 1 911 . 1 1 73 73 ASP HA H 1 4.548 0.001 . 1 . . . . 73 ASP HA . 15011 1 912 . 1 1 73 73 ASP HB2 H 1 2.273 0.001 . 2 . . . . 73 ASP HB1 . 15011 1 913 . 1 1 73 73 ASP HB3 H 1 2.62 0.001 . 2 . . . . 73 ASP HB2 . 15011 1 914 . 1 1 73 73 ASP C C 13 175.347 0.2 . 1 . . . . 73 ASP C . 15011 1 915 . 1 1 73 73 ASP CA C 13 51.501 0.2 . 1 . . . . 73 ASP CA . 15011 1 916 . 1 1 73 73 ASP CB C 13 40.21 0.2 . 1 . . . . 73 ASP CB . 15011 1 917 . 1 1 73 73 ASP N N 15 117.379 0.2 . 1 . . . . 73 ASP N . 15011 1 918 . 1 1 74 74 GLU H H 1 8.719 0.001 . 1 . . . . 74 GLU H . 15011 1 919 . 1 1 74 74 GLU HA H 1 4.34 0.001 . 1 . . . . 74 GLU HA . 15011 1 920 . 1 1 74 74 GLU HB2 H 1 2.483 0.001 . 2 . . . . 74 GLU HB1 . 15011 1 921 . 1 1 74 74 GLU HB3 H 1 2.04 0.001 . 2 . . . . 74 GLU HB2 . 15011 1 922 . 1 1 74 74 GLU HG2 H 1 2.112 0.001 . 2 . . . . 74 GLU HG1 . 15011 1 923 . 1 1 74 74 GLU HG3 H 1 2.262 0.001 . 2 . . . . 74 GLU HG2 . 15011 1 924 . 1 1 74 74 GLU C C 13 177.193 0.2 . 1 . . . . 74 GLU C . 15011 1 925 . 1 1 74 74 GLU CA C 13 57.155 0.2 . 1 . . . . 74 GLU CA . 15011 1 926 . 1 1 74 74 GLU CB C 13 27.52 0.2 . 1 . . . . 74 GLU CB . 15011 1 927 . 1 1 74 74 GLU CG C 13 32.739 0.2 . 1 . . . . 74 GLU CG . 15011 1 928 . 1 1 74 74 GLU N N 15 125.506 0.2 . 1 . . . . 74 GLU N . 15011 1 929 . 1 1 75 75 ASN H H 1 8.355 0.001 . 1 . . . . 75 ASN H . 15011 1 930 . 1 1 75 75 ASN HA H 1 4.778 0.001 . 1 . . . . 75 ASN HA . 15011 1 931 . 1 1 75 75 ASN HB2 H 1 2.892 0.001 . 2 . . . . 75 ASN HB1 . 15011 1 932 . 1 1 75 75 ASN HB3 H 1 2.722 0.001 . 2 . . . . 75 ASN HB2 . 15011 1 933 . 1 1 75 75 ASN HD21 H 1 7.043 0.001 . 2 . . . . 75 ASN HD21 . 15011 1 934 . 1 1 75 75 ASN HD22 H 1 7.88 0.001 . 2 . . . . 75 ASN HD22 . 15011 1 935 . 1 1 75 75 ASN C C 13 175.442 0.2 . 1 . . . . 75 ASN C . 15011 1 936 . 1 1 75 75 ASN CA C 13 51.409 0.2 . 1 . . . . 75 ASN CA . 15011 1 937 . 1 1 75 75 ASN CB C 13 37.649 0.2 . 1 . . . . 75 ASN CB . 15011 1 938 . 1 1 75 75 ASN N N 15 116.808 0.2 . 1 . . . . 75 ASN N . 15011 1 939 . 1 1 75 75 ASN ND2 N 15 116.012 0.2 . 1 . . . . 75 ASN ND2 . 15011 1 940 . 1 1 76 76 ILE H H 1 7.429 0.001 . 1 . . . . 76 ILE H . 15011 1 941 . 1 1 76 76 ILE HA H 1 3.896 0.001 . 1 . . . . 76 ILE HA . 15011 1 942 . 1 1 76 76 ILE HB H 1 1.805 0.001 . 1 . . . . 76 ILE HB . 15011 1 943 . 1 1 76 76 ILE HG12 H 1 1.434 0.001 . 2 . . . . 76 ILE HG11 . 15011 1 944 . 1 1 76 76 ILE HG13 H 1 0.967 0.001 . 2 . . . . 76 ILE HG12 . 15011 1 945 . 1 1 76 76 ILE HG21 H 1 0.685 0.001 . 1 . . . . 76 ILE HG2 . 15011 1 946 . 1 1 76 76 ILE HG22 H 1 0.685 0.001 . 1 . . . . 76 ILE HG2 . 15011 1 947 . 1 1 76 76 ILE HG23 H 1 0.685 0.001 . 1 . . . . 76 ILE HG2 . 15011 1 948 . 1 1 76 76 ILE HD11 H 1 0.774 0.001 . 1 . . . . 76 ILE HD1 . 15011 1 949 . 1 1 76 76 ILE HD12 H 1 0.774 0.001 . 1 . . . . 76 ILE HD1 . 15011 1 950 . 1 1 76 76 ILE HD13 H 1 0.774 0.001 . 1 . . . . 76 ILE HD1 . 15011 1 951 . 1 1 76 76 ILE C C 13 174.162 0.2 . 1 . . . . 76 ILE C . 15011 1 952 . 1 1 76 76 ILE CA C 13 60.36 0.2 . 1 . . . . 76 ILE CA . 15011 1 953 . 1 1 76 76 ILE CB C 13 36.668 0.2 . 1 . . . . 76 ILE CB . 15011 1 954 . 1 1 76 76 ILE CG1 C 13 26.612 0.2 . 1 . . . . 76 ILE CG1 . 15011 1 955 . 1 1 76 76 ILE CG2 C 13 13.965 0.2 . 1 . . . . 76 ILE CG2 . 15011 1 956 . 1 1 76 76 ILE CD1 C 13 13.964 0.2 . 1 . . . . 76 ILE CD1 . 15011 1 957 . 1 1 76 76 ILE N N 15 123.925 0.2 . 1 . . . . 76 ILE N . 15011 1 958 . 1 1 77 77 ARG H H 1 7.569 0.001 . 1 . . . . 77 ARG H . 15011 1 959 . 1 1 77 77 ARG HA H 1 4.485 0.001 . 1 . . . . 77 ARG HA . 15011 1 960 . 1 1 77 77 ARG HB2 H 1 2.057 0.001 . 2 . . . . 77 ARG HB1 . 15011 1 961 . 1 1 77 77 ARG HB3 H 1 1.426 0.001 . 2 . . . . 77 ARG HB2 . 15011 1 962 . 1 1 77 77 ARG HG2 H 1 1.678 0.001 . 2 . . . . 77 ARG HG1 . 15011 1 963 . 1 1 77 77 ARG HG3 H 1 1.911 0.001 . 2 . . . . 77 ARG HG2 . 15011 1 964 . 1 1 77 77 ARG HD2 H 1 3.097 0.001 . 2 . . . . 77 ARG HD1 . 15011 1 965 . 1 1 77 77 ARG HD3 H 1 3.226 0.001 . 2 . . . . 77 ARG HD2 . 15011 1 966 . 1 1 77 77 ARG C C 13 174.893 0.2 . 1 . . . . 77 ARG C . 15011 1 967 . 1 1 77 77 ARG CA C 13 52.704 0.2 . 1 . . . . 77 ARG CA . 15011 1 968 . 1 1 77 77 ARG CB C 13 30.191 0.2 . 1 . . . . 77 ARG CB . 15011 1 969 . 1 1 77 77 ARG CG C 13 25.2 0.2 . 1 . . . . 77 ARG CG . 15011 1 970 . 1 1 77 77 ARG CD C 13 41.843 0.2 . 1 . . . . 77 ARG CD . 15011 1 971 . 1 1 77 77 ARG N N 15 127.579 0.2 . 1 . . . . 77 ARG N . 15011 1 972 . 1 1 78 78 VAL H H 1 8.722 0.001 . 1 . . . . 78 VAL H . 15011 1 973 . 1 1 78 78 VAL HA H 1 4.898 0.001 . 1 . . . . 78 VAL HA . 15011 1 974 . 1 1 78 78 VAL HB H 1 1.655 0.001 . 1 . . . . 78 VAL HB . 15011 1 975 . 1 1 78 78 VAL HG21 H 1 0.691 0.001 . 1 . . . . 78 VAL HG2 . 15011 1 976 . 1 1 78 78 VAL HG22 H 1 0.691 0.001 . 1 . . . . 78 VAL HG2 . 15011 1 977 . 1 1 78 78 VAL HG23 H 1 0.691 0.001 . 1 . . . . 78 VAL HG2 . 15011 1 978 . 1 1 78 78 VAL C C 13 174.51 0.2 . 1 . . . . 78 VAL C . 15011 1 979 . 1 1 78 78 VAL CA C 13 58.578 0.2 . 1 . . . . 78 VAL CA . 15011 1 980 . 1 1 78 78 VAL CB C 13 33.925 0.2 . 1 . . . . 78 VAL CB . 15011 1 981 . 1 1 78 78 VAL CG1 C 13 19.038 0.2 . 2 . . . . 78 VAL CG1 . 15011 1 982 . 1 1 78 78 VAL CG2 C 13 19.928 0.2 . 2 . . . . 78 VAL CG2 . 15011 1 983 . 1 1 78 78 VAL N N 15 123.047 0.2 . 1 . . . . 78 VAL N . 15011 1 984 . 1 1 79 79 ILE H H 1 9.158 0.001 . 1 . . . . 79 ILE H . 15011 1 985 . 1 1 79 79 ILE HA H 1 4.171 0.001 . 1 . . . . 79 ILE HA . 15011 1 986 . 1 1 79 79 ILE HB H 1 1.445 0.001 . 1 . . . . 79 ILE HB . 15011 1 987 . 1 1 79 79 ILE HG12 H 1 1.409 0.001 . 2 . . . . 79 ILE HG11 . 15011 1 988 . 1 1 79 79 ILE HG21 H 1 0.435 0.001 . 1 . . . . 79 ILE HG2 . 15011 1 989 . 1 1 79 79 ILE HG22 H 1 0.435 0.001 . 1 . . . . 79 ILE HG2 . 15011 1 990 . 1 1 79 79 ILE HG23 H 1 0.435 0.001 . 1 . . . . 79 ILE HG2 . 15011 1 991 . 1 1 79 79 ILE HD11 H 1 0.573 0.001 . 1 . . . . 79 ILE HD1 . 15011 1 992 . 1 1 79 79 ILE HD12 H 1 0.573 0.001 . 1 . . . . 79 ILE HD1 . 15011 1 993 . 1 1 79 79 ILE HD13 H 1 0.573 0.001 . 1 . . . . 79 ILE HD1 . 15011 1 994 . 1 1 79 79 ILE C C 13 175.123 0.2 . 1 . . . . 79 ILE C . 15011 1 995 . 1 1 79 79 ILE CA C 13 58.732 0.2 . 1 . . . . 79 ILE CA . 15011 1 996 . 1 1 79 79 ILE CB C 13 38.845 0.2 . 1 . . . . 79 ILE CB . 15011 1 997 . 1 1 79 79 ILE CG1 C 13 26.458 0.2 . 1 . . . . 79 ILE CG1 . 15011 1 998 . 1 1 79 79 ILE CG2 C 13 14.019 0.2 . 1 . . . . 79 ILE CG2 . 15011 1 999 . 1 1 79 79 ILE CD1 C 13 11.736 0.2 . 1 . . . . 79 ILE CD1 . 15011 1 1000 . 1 1 79 79 ILE N N 15 128.217 0.2 . 1 . . . . 79 ILE N . 15011 1 1001 . 1 1 80 80 ILE H H 1 7.678 0.001 . 1 . . . . 80 ILE H . 15011 1 1002 . 1 1 80 80 ILE HA H 1 5.169 0.001 . 1 . . . . 80 ILE HA . 15011 1 1003 . 1 1 80 80 ILE HB H 1 1.95 0.001 . 1 . . . . 80 ILE HB . 15011 1 1004 . 1 1 80 80 ILE HG12 H 1 1.591 0.001 . 2 . . . . 80 ILE HG11 . 15011 1 1005 . 1 1 80 80 ILE HG13 H 1 1.096 0.001 . 2 . . . . 80 ILE HG12 . 15011 1 1006 . 1 1 80 80 ILE HG21 H 1 0.924 0.001 . 1 . . . . 80 ILE HG2 . 15011 1 1007 . 1 1 80 80 ILE HG22 H 1 0.924 0.001 . 1 . . . . 80 ILE HG2 . 15011 1 1008 . 1 1 80 80 ILE HG23 H 1 0.924 0.001 . 1 . . . . 80 ILE HG2 . 15011 1 1009 . 1 1 80 80 ILE HD11 H 1 0.783 0.001 . 1 . . . . 80 ILE HD1 . 15011 1 1010 . 1 1 80 80 ILE HD12 H 1 0.783 0.001 . 1 . . . . 80 ILE HD1 . 15011 1 1011 . 1 1 80 80 ILE HD13 H 1 0.783 0.001 . 1 . . . . 80 ILE HD1 . 15011 1 1012 . 1 1 80 80 ILE C C 13 174.738 0.2 . 1 . . . . 80 ILE C . 15011 1 1013 . 1 1 80 80 ILE CA C 13 57.1 0.2 . 1 . . . . 80 ILE CA . 15011 1 1014 . 1 1 80 80 ILE CB C 13 37.729 0.2 . 1 . . . . 80 ILE CB . 15011 1 1015 . 1 1 80 80 ILE CG1 C 13 23.894 0.2 . 1 . . . . 80 ILE CG1 . 15011 1 1016 . 1 1 80 80 ILE CG2 C 13 17.685 0.2 . 1 . . . . 80 ILE CG2 . 15011 1 1017 . 1 1 80 80 ILE CD1 C 13 12.481 0.2 . 1 . . . . 80 ILE CD1 . 15011 1 1018 . 1 1 80 80 ILE N N 15 120.789 0.2 . 1 . . . . 80 ILE N . 15011 1 1019 . 1 1 81 81 MET H H 1 8.739 0.001 . 1 . . . . 81 MET H . 15011 1 1020 . 1 1 81 81 MET HA H 1 5.803 0.001 . 1 . . . . 81 MET HA . 15011 1 1021 . 1 1 81 81 MET HB2 H 1 1.895 0.001 . 2 . . . . 81 MET HB1 . 15011 1 1022 . 1 1 81 81 MET HB3 H 1 2.211 0.001 . 2 . . . . 81 MET HB2 . 15011 1 1023 . 1 1 81 81 MET HG2 H 1 2.239 0.001 . 2 . . . . 81 MET HG1 . 15011 1 1024 . 1 1 81 81 MET HG3 H 1 2.375 0.001 . 2 . . . . 81 MET HG2 . 15011 1 1025 . 1 1 81 81 MET HE1 H 1 1.912 0.001 . 1 . . . . 81 MET HE . 15011 1 1026 . 1 1 81 81 MET HE2 H 1 1.912 0.001 . 1 . . . . 81 MET HE . 15011 1 1027 . 1 1 81 81 MET HE3 H 1 1.912 0.001 . 1 . . . . 81 MET HE . 15011 1 1028 . 1 1 81 81 MET C C 13 175.135 0.2 . 1 . . . . 81 MET C . 15011 1 1029 . 1 1 81 81 MET CA C 13 51.886 0.2 . 1 . . . . 81 MET CA . 15011 1 1030 . 1 1 81 81 MET CB C 13 33.964 0.2 . 1 . . . . 81 MET CB . 15011 1 1031 . 1 1 81 81 MET CG C 13 30.158 0.2 . 1 . . . . 81 MET CG . 15011 1 1032 . 1 1 81 81 MET CE C 13 14.898 0.2 . 1 . . . . 81 MET CE . 15011 1 1033 . 1 1 81 81 MET N N 15 121.742 0.2 . 1 . . . . 81 MET N . 15011 1 1034 . 1 1 82 82 THR H H 1 8.482 0.001 . 1 . . . . 82 THR H . 15011 1 1035 . 1 1 82 82 THR HA H 1 4.94 0.001 . 1 . . . . 82 THR HA . 15011 1 1036 . 1 1 82 82 THR HB H 1 4.247 0.001 . 1 . . . . 82 THR HB . 15011 1 1037 . 1 1 82 82 THR HG21 H 1 1.022 0.001 . 1 . . . . 82 THR HG2 . 15011 1 1038 . 1 1 82 82 THR HG22 H 1 1.022 0.001 . 1 . . . . 82 THR HG2 . 15011 1 1039 . 1 1 82 82 THR HG23 H 1 1.022 0.001 . 1 . . . . 82 THR HG2 . 15011 1 1040 . 1 1 82 82 THR C C 13 172.98 0.2 . 1 . . . . 82 THR C . 15011 1 1041 . 1 1 82 82 THR CA C 13 57.768 0.2 . 1 . . . . 82 THR CA . 15011 1 1042 . 1 1 82 82 THR CB C 13 68.846 0.2 . 1 . . . . 82 THR CB . 15011 1 1043 . 1 1 82 82 THR CG2 C 13 18.94 0.2 . 1 . . . . 82 THR CG2 . 15011 1 1044 . 1 1 82 82 THR N N 15 114.532 0.2 . 1 . . . . 82 THR N . 15011 1 1045 . 1 1 83 83 ALA H H 1 8.77 0.001 . 1 . . . . 83 ALA H . 15011 1 1046 . 1 1 83 83 ALA HA H 1 4.651 0.001 . 1 . . . . 83 ALA HA . 15011 1 1047 . 1 1 83 83 ALA HB1 H 1 1.391 0.001 . 1 . . . . 83 ALA HB . 15011 1 1048 . 1 1 83 83 ALA HB2 H 1 1.391 0.001 . 1 . . . . 83 ALA HB . 15011 1 1049 . 1 1 83 83 ALA HB3 H 1 1.391 0.001 . 1 . . . . 83 ALA HB . 15011 1 1050 . 1 1 83 83 ALA C C 13 177.561 0.2 . 1 . . . . 83 ALA C . 15011 1 1051 . 1 1 83 83 ALA CA C 13 49.632 0.2 . 1 . . . . 83 ALA CA . 15011 1 1052 . 1 1 83 83 ALA CB C 13 17.992 0.2 . 1 . . . . 83 ALA CB . 15011 1 1053 . 1 1 83 83 ALA N N 15 125.172 0.2 . 1 . . . . 83 ALA N . 15011 1 1054 . 1 1 84 84 TYR H H 1 8.615 0.001 . 1 . . . . 84 TYR H . 15011 1 1055 . 1 1 84 84 TYR HA H 1 4.197 0.001 . 1 . . . . 84 TYR HA . 15011 1 1056 . 1 1 84 84 TYR HB2 H 1 3.108 0.001 . 2 . . . . 84 TYR HB1 . 15011 1 1057 . 1 1 84 84 TYR HB3 H 1 2.971 0.001 . 2 . . . . 84 TYR HB2 . 15011 1 1058 . 1 1 84 84 TYR C C 13 176.803 0.2 . 1 . . . . 84 TYR C . 15011 1 1059 . 1 1 84 84 TYR CA C 13 57.244 0.2 . 1 . . . . 84 TYR CA . 15011 1 1060 . 1 1 84 84 TYR CB C 13 35.76 0.2 . 1 . . . . 84 TYR CB . 15011 1 1061 . 1 1 84 84 TYR N N 15 121.849 0.2 . 1 . . . . 84 TYR N . 15011 1 1062 . 1 1 85 85 GLY H H 1 8.479 0.001 . 1 . . . . 85 GLY H . 15011 1 1063 . 1 1 85 85 GLY HA2 H 1 3.532 0.001 . 2 . . . . 85 GLY HA1 . 15011 1 1064 . 1 1 85 85 GLY HA3 H 1 3.887 0.001 . 2 . . . . 85 GLY HA2 . 15011 1 1065 . 1 1 85 85 GLY C C 13 174.148 0.2 . 1 . . . . 85 GLY C . 15011 1 1066 . 1 1 85 85 GLY CA C 13 43.145 0.2 . 1 . . . . 85 GLY CA . 15011 1 1067 . 1 1 85 85 GLY N N 15 112.471 0.2 . 1 . . . . 85 GLY N . 15011 1 1068 . 1 1 86 86 GLU H H 1 7.885 0.001 . 1 . . . . 86 GLU H . 15011 1 1069 . 1 1 86 86 GLU HA H 1 4.403 0.001 . 1 . . . . 86 GLU HA . 15011 1 1070 . 1 1 86 86 GLU HB2 H 1 2.017 0.001 . 2 . . . . 86 GLU HB1 . 15011 1 1071 . 1 1 86 86 GLU HG2 H 1 2.201 0.001 . 2 . . . . 86 GLU HG1 . 15011 1 1072 . 1 1 86 86 GLU HG3 H 1 1.993 0.001 . 2 . . . . 86 GLU HG2 . 15011 1 1073 . 1 1 86 86 GLU C C 13 176.616 0.2 . 1 . . . . 86 GLU C . 15011 1 1074 . 1 1 86 86 GLU CA C 13 53.95 0.2 . 1 . . . . 86 GLU CA . 15011 1 1075 . 1 1 86 86 GLU CB C 13 26.561 0.2 . 1 . . . . 86 GLU CB . 15011 1 1076 . 1 1 86 86 GLU CG C 13 33.915 0.2 . 1 . . . . 86 GLU CG . 15011 1 1077 . 1 1 86 86 GLU N N 15 121.813 0.2 . 1 . . . . 86 GLU N . 15011 1 1078 . 1 1 87 87 LEU H H 1 8.403 0.001 . 1 . . . . 87 LEU H . 15011 1 1079 . 1 1 87 87 LEU HA H 1 4.153 0.001 . 1 . . . . 87 LEU HA . 15011 1 1080 . 1 1 87 87 LEU HB2 H 1 1.562 0.001 . 2 . . . . 87 LEU HB1 . 15011 1 1081 . 1 1 87 87 LEU HB3 H 1 1.642 0.001 . 2 . . . . 87 LEU HB2 . 15011 1 1082 . 1 1 87 87 LEU HG H 1 1.535 0.001 . 1 . . . . 87 LEU HG . 15011 1 1083 . 1 1 87 87 LEU HD11 H 1 0.823 0.001 . 1 . . . . 87 LEU HD1 . 15011 1 1084 . 1 1 87 87 LEU HD12 H 1 0.823 0.001 . 1 . . . . 87 LEU HD1 . 15011 1 1085 . 1 1 87 87 LEU HD13 H 1 0.823 0.001 . 1 . . . . 87 LEU HD1 . 15011 1 1086 . 1 1 87 87 LEU HD21 H 1 0.74 0.001 . 1 . . . . 87 LEU HD2 . 15011 1 1087 . 1 1 87 87 LEU HD22 H 1 0.74 0.001 . 1 . . . . 87 LEU HD2 . 15011 1 1088 . 1 1 87 87 LEU HD23 H 1 0.74 0.001 . 1 . . . . 87 LEU HD2 . 15011 1 1089 . 1 1 87 87 LEU C C 13 178.478 0.2 . 1 . . . . 87 LEU C . 15011 1 1090 . 1 1 87 87 LEU CA C 13 54.204 0.2 . 1 . . . . 87 LEU CA . 15011 1 1091 . 1 1 87 87 LEU CB C 13 39.411 0.2 . 1 . . . . 87 LEU CB . 15011 1 1092 . 1 1 87 87 LEU CG C 13 24.824 0.2 . 1 . . . . 87 LEU CG . 15011 1 1093 . 1 1 87 87 LEU CD1 C 13 23.272 0.2 . 2 . . . . 87 LEU CD1 . 15011 1 1094 . 1 1 87 87 LEU CD2 C 13 20.945 0.2 . 2 . . . . 87 LEU CD2 . 15011 1 1095 . 1 1 87 87 LEU N N 15 123.33 0.2 . 1 . . . . 87 LEU N . 15011 1 1096 . 1 1 88 88 ASP H H 1 8.503 0.001 . 1 . . . . 88 ASP H . 15011 1 1097 . 1 1 88 88 ASP HA H 1 4.312 0.001 . 1 . . . . 88 ASP HA . 15011 1 1098 . 1 1 88 88 ASP HB2 H 1 2.696 0.001 . 2 . . . . 88 ASP HB1 . 15011 1 1099 . 1 1 88 88 ASP HB3 H 1 2.623 0.001 . 2 . . . . 88 ASP HB2 . 15011 1 1100 . 1 1 88 88 ASP C C 13 177.454 0.2 . 1 . . . . 88 ASP C . 15011 1 1101 . 1 1 88 88 ASP CA C 13 54.857 0.2 . 1 . . . . 88 ASP CA . 15011 1 1102 . 1 1 88 88 ASP CB C 13 37.706 0.2 . 1 . . . . 88 ASP CB . 15011 1 1103 . 1 1 88 88 ASP N N 15 119.824 0.2 . 1 . . . . 88 ASP N . 15011 1 1104 . 1 1 89 89 MET H H 1 8.282 0.001 . 1 . . . . 89 MET H . 15011 1 1105 . 1 1 89 89 MET HA H 1 4.387 0.001 . 1 . . . . 89 MET HA . 15011 1 1106 . 1 1 89 89 MET HB2 H 1 2.367 0.001 . 2 . . . . 89 MET HB1 . 15011 1 1107 . 1 1 89 89 MET HB3 H 1 2.567 0.001 . 2 . . . . 89 MET HB2 . 15011 1 1108 . 1 1 89 89 MET HG2 H 1 2.019 0.001 . 2 . . . . 89 MET HG1 . 15011 1 1109 . 1 1 89 89 MET HG3 H 1 2.202 0.001 . 2 . . . . 89 MET HG2 . 15011 1 1110 . 1 1 89 89 MET C C 13 178.064 0.2 . 1 . . . . 89 MET C . 15011 1 1111 . 1 1 89 89 MET CA C 13 55.132 0.2 . 1 . . . . 89 MET CA . 15011 1 1112 . 1 1 89 89 MET CB C 13 30.168 0.2 . 1 . . . . 89 MET CB . 15011 1 1113 . 1 1 89 89 MET N N 15 117.871 0.2 . 1 . . . . 89 MET N . 15011 1 1114 . 1 1 90 90 ILE H H 1 7.939 0.001 . 1 . . . . 90 ILE H . 15011 1 1115 . 1 1 90 90 ILE HA H 1 3.32 0.001 . 1 . . . . 90 ILE HA . 15011 1 1116 . 1 1 90 90 ILE HB H 1 1.657 0.001 . 1 . . . . 90 ILE HB . 15011 1 1117 . 1 1 90 90 ILE HG12 H 1 0.259 0.001 . 2 . . . . 90 ILE HG11 . 15011 1 1118 . 1 1 90 90 ILE HG21 H 1 0.307 0.001 . 1 . . . . 90 ILE HG2 . 15011 1 1119 . 1 1 90 90 ILE HG22 H 1 0.307 0.001 . 1 . . . . 90 ILE HG2 . 15011 1 1120 . 1 1 90 90 ILE HG23 H 1 0.307 0.001 . 1 . . . . 90 ILE HG2 . 15011 1 1121 . 1 1 90 90 ILE HD11 H 1 0.443 0.001 . 1 . . . . 90 ILE HD1 . 15011 1 1122 . 1 1 90 90 ILE HD12 H 1 0.443 0.001 . 1 . . . . 90 ILE HD1 . 15011 1 1123 . 1 1 90 90 ILE HD13 H 1 0.443 0.001 . 1 . . . . 90 ILE HD1 . 15011 1 1124 . 1 1 90 90 ILE C C 13 178.013 0.2 . 1 . . . . 90 ILE C . 15011 1 1125 . 1 1 90 90 ILE CA C 13 63.258 0.2 . 1 . . . . 90 ILE CA . 15011 1 1126 . 1 1 90 90 ILE CB C 13 35.313 0.2 . 1 . . . . 90 ILE CB . 15011 1 1127 . 1 1 90 90 ILE CG1 C 13 26.496 0.2 . 1 . . . . 90 ILE CG1 . 15011 1 1128 . 1 1 90 90 ILE CG2 C 13 10.582 0.2 . 1 . . . . 90 ILE CG2 . 15011 1 1129 . 1 1 90 90 ILE CD1 C 13 15.175 0.2 . 1 . . . . 90 ILE CD1 . 15011 1 1130 . 1 1 90 90 ILE N N 15 123.149 0.2 . 1 . . . . 90 ILE N . 15011 1 1131 . 1 1 91 91 GLN H H 1 8.484 0.001 . 1 . . . . 91 GLN H . 15011 1 1132 . 1 1 91 91 GLN HA H 1 3.938 0.001 . 1 . . . . 91 GLN HA . 15011 1 1133 . 1 1 91 91 GLN HB2 H 1 2.003 0.001 . 2 . . . . 91 GLN HB1 . 15011 1 1134 . 1 1 91 91 GLN HB3 H 1 2.069 0.001 . 2 . . . . 91 GLN HB2 . 15011 1 1135 . 1 1 91 91 GLN HG2 H 1 2.352 0.001 . 2 . . . . 91 GLN HG1 . 15011 1 1136 . 1 1 91 91 GLN C C 13 178.476 0.2 . 1 . . . . 91 GLN C . 15011 1 1137 . 1 1 91 91 GLN CA C 13 57.021 0.2 . 1 . . . . 91 GLN CA . 15011 1 1138 . 1 1 91 91 GLN CB C 13 25.34 0.2 . 1 . . . . 91 GLN CB . 15011 1 1139 . 1 1 91 91 GLN CG C 13 31.462 0.2 . 1 . . . . 91 GLN CG . 15011 1 1140 . 1 1 91 91 GLN N N 15 121.536 0.2 . 1 . . . . 91 GLN N . 15011 1 1141 . 1 1 92 92 GLU H H 1 8.822 0.001 . 1 . . . . 92 GLU H . 15011 1 1142 . 1 1 92 92 GLU HA H 1 3.962 0.001 . 1 . . . . 92 GLU HA . 15011 1 1143 . 1 1 92 92 GLU HB2 H 1 1.904 0.001 . 2 . . . . 92 GLU HB1 . 15011 1 1144 . 1 1 92 92 GLU HG2 H 1 2.257 0.001 . 2 . . . . 92 GLU HG1 . 15011 1 1145 . 1 1 92 92 GLU HG3 H 1 2.346 0.001 . 2 . . . . 92 GLU HG2 . 15011 1 1146 . 1 1 92 92 GLU C C 13 179.073 0.2 . 1 . . . . 92 GLU C . 15011 1 1147 . 1 1 92 92 GLU CA C 13 57.184 0.2 . 1 . . . . 92 GLU CA . 15011 1 1148 . 1 1 92 92 GLU CB C 13 27.563 0.2 . 1 . . . . 92 GLU CB . 15011 1 1149 . 1 1 92 92 GLU CG C 13 33.867 0.2 . 1 . . . . 92 GLU CG . 15011 1 1150 . 1 1 92 92 GLU N N 15 120.9 0.2 . 1 . . . . 92 GLU N . 15011 1 1151 . 1 1 93 93 SER H H 1 7.96 0.001 . 1 . . . . 93 SER H . 15011 1 1152 . 1 1 93 93 SER HA H 1 3.916 0.001 . 1 . . . . 93 SER HA . 15011 1 1153 . 1 1 93 93 SER HB2 H 1 3.586 0.001 . 2 . . . . 93 SER HB1 . 15011 1 1154 . 1 1 93 93 SER HB3 H 1 3.754 0.001 . 2 . . . . 93 SER HB2 . 15011 1 1155 . 1 1 93 93 SER C C 13 176.337 0.2 . 1 . . . . 93 SER C . 15011 1 1156 . 1 1 93 93 SER CA C 13 60.203 0.2 . 1 . . . . 93 SER CA . 15011 1 1157 . 1 1 93 93 SER CB C 13 66.394 0.2 . 1 . . . . 93 SER CB . 15011 1 1158 . 1 1 93 93 SER N N 15 114.311 0.2 . 1 . . . . 93 SER N . 15011 1 1159 . 1 1 94 94 LYS H H 1 7.998 0.001 . 1 . . . . 94 LYS H . 15011 1 1160 . 1 1 94 94 LYS HA H 1 4.149 0.001 . 1 . . . . 94 LYS HA . 15011 1 1161 . 1 1 94 94 LYS HB2 H 1 1.929 0.001 . 2 . . . . 94 LYS HB1 . 15011 1 1162 . 1 1 94 94 LYS HG2 H 1 1.322 0.001 . 2 . . . . 94 LYS HG1 . 15011 1 1163 . 1 1 94 94 LYS HG3 H 1 1.534 0.001 . 2 . . . . 94 LYS HG2 . 15011 1 1164 . 1 1 94 94 LYS HD2 H 1 1.594 0.001 . 2 . . . . 94 LYS HD1 . 15011 1 1165 . 1 1 94 94 LYS HE2 H 1 2.888 0.001 . 2 . . . . 94 LYS HE1 . 15011 1 1166 . 1 1 94 94 LYS C C 13 180.847 0.2 . 1 . . . . 94 LYS C . 15011 1 1167 . 1 1 94 94 LYS CA C 13 57.434 0.2 . 1 . . . . 94 LYS CA . 15011 1 1168 . 1 1 94 94 LYS CB C 13 29.454 0.2 . 1 . . . . 94 LYS CB . 15011 1 1169 . 1 1 94 94 LYS CG C 13 22.714 0.2 . 1 . . . . 94 LYS CG . 15011 1 1170 . 1 1 94 94 LYS CD C 13 26.433 0.2 . 1 . . . . 94 LYS CD . 15011 1 1171 . 1 1 94 94 LYS CE C 13 40.202 0.2 . 1 . . . . 94 LYS CE . 15011 1 1172 . 1 1 94 94 LYS N N 15 125.414 0.2 . 1 . . . . 94 LYS N . 15011 1 1173 . 1 1 95 95 GLU H H 1 8.06 0.001 . 1 . . . . 95 GLU H . 15011 1 1174 . 1 1 95 95 GLU HA H 1 4.022 0.001 . 1 . . . . 95 GLU HA . 15011 1 1175 . 1 1 95 95 GLU HB2 H 1 2.111 0.001 . 2 . . . . 95 GLU HB1 . 15011 1 1176 . 1 1 95 95 GLU HG2 H 1 2.397 0.001 . 2 . . . . 95 GLU HG1 . 15011 1 1177 . 1 1 95 95 GLU HG3 H 1 2.26 0.001 . 2 . . . . 95 GLU HG2 . 15011 1 1178 . 1 1 95 95 GLU C C 13 178.356 0.2 . 1 . . . . 95 GLU C . 15011 1 1179 . 1 1 95 95 GLU CA C 13 56.255 0.2 . 1 . . . . 95 GLU CA . 15011 1 1180 . 1 1 95 95 GLU CB C 13 26.46 0.2 . 1 . . . . 95 GLU CB . 15011 1 1181 . 1 1 95 95 GLU CG C 13 33.977 0.2 . 1 . . . . 95 GLU CG . 15011 1 1182 . 1 1 95 95 GLU N N 15 122.054 0.2 . 1 . . . . 95 GLU N . 15011 1 1183 . 1 1 96 96 LEU H H 1 7.374 0.001 . 1 . . . . 96 LEU H . 15011 1 1184 . 1 1 96 96 LEU HA H 1 4.243 0.001 . 1 . . . . 96 LEU HA . 15011 1 1185 . 1 1 96 96 LEU HB2 H 1 1.535 0.001 . 2 . . . . 96 LEU HB1 . 15011 1 1186 . 1 1 96 96 LEU HB3 H 1 1.785 0.001 . 2 . . . . 96 LEU HB2 . 15011 1 1187 . 1 1 96 96 LEU HD11 H 1 0.833 0.001 . 1 . . . . 96 LEU HD1 . 15011 1 1188 . 1 1 96 96 LEU HD12 H 1 0.833 0.001 . 1 . . . . 96 LEU HD1 . 15011 1 1189 . 1 1 96 96 LEU HD13 H 1 0.833 0.001 . 1 . . . . 96 LEU HD1 . 15011 1 1190 . 1 1 96 96 LEU HD21 H 1 0.828 0.001 . 1 . . . . 96 LEU HD2 . 15011 1 1191 . 1 1 96 96 LEU HD22 H 1 0.828 0.001 . 1 . . . . 96 LEU HD2 . 15011 1 1192 . 1 1 96 96 LEU HD23 H 1 0.828 0.001 . 1 . . . . 96 LEU HD2 . 15011 1 1193 . 1 1 96 96 LEU C C 13 176.592 0.2 . 1 . . . . 96 LEU C . 15011 1 1194 . 1 1 96 96 LEU CA C 13 52.666 0.2 . 1 . . . . 96 LEU CA . 15011 1 1195 . 1 1 96 96 LEU CB C 13 40.284 0.2 . 1 . . . . 96 LEU CB . 15011 1 1196 . 1 1 96 96 LEU CD1 C 13 25.2 0.2 . 2 . . . . 96 LEU CD1 . 15011 1 1197 . 1 1 96 96 LEU CD2 C 13 21.448 0.2 . 2 . . . . 96 LEU CD2 . 15011 1 1198 . 1 1 96 96 LEU N N 15 118.205 0.2 . 1 . . . . 96 LEU N . 15011 1 1199 . 1 1 97 97 GLY H H 1 7.633 0.001 . 1 . . . . 97 GLY H . 15011 1 1200 . 1 1 97 97 GLY HA2 H 1 3.674 0.001 . 2 . . . . 97 GLY HA1 . 15011 1 1201 . 1 1 97 97 GLY HA3 H 1 4.349 0.001 . 2 . . . . 97 GLY HA2 . 15011 1 1202 . 1 1 97 97 GLY C C 13 175.776 0.2 . 1 . . . . 97 GLY C . 15011 1 1203 . 1 1 97 97 GLY CA C 13 43.038 0.2 . 1 . . . . 97 GLY CA . 15011 1 1204 . 1 1 97 97 GLY N N 15 105.12 0.2 . 1 . . . . 97 GLY N . 15011 1 1205 . 1 1 98 98 ALA H H 1 8.319 0.001 . 1 . . . . 98 ALA H . 15011 1 1206 . 1 1 98 98 ALA HA H 1 4.275 0.001 . 1 . . . . 98 ALA HA . 15011 1 1207 . 1 1 98 98 ALA HB1 H 1 1.058 0.001 . 1 . . . . 98 ALA HB . 15011 1 1208 . 1 1 98 98 ALA HB2 H 1 1.058 0.001 . 1 . . . . 98 ALA HB . 15011 1 1209 . 1 1 98 98 ALA HB3 H 1 1.058 0.001 . 1 . . . . 98 ALA HB . 15011 1 1210 . 1 1 98 98 ALA C C 13 177.589 0.2 . 1 . . . . 98 ALA C . 15011 1 1211 . 1 1 98 98 ALA CA C 13 50.834 0.2 . 1 . . . . 98 ALA CA . 15011 1 1212 . 1 1 98 98 ALA CB C 13 16.257 0.2 . 1 . . . . 98 ALA CB . 15011 1 1213 . 1 1 98 98 ALA N N 15 124.626 0.2 . 1 . . . . 98 ALA N . 15011 1 1214 . 1 1 99 99 LEU H H 1 8.919 0.001 . 1 . . . . 99 LEU H . 15011 1 1215 . 1 1 99 99 LEU HA H 1 3.89 0.001 . 1 . . . . 99 LEU HA . 15011 1 1216 . 1 1 99 99 LEU HB2 H 1 1.161 0.001 . 2 . . . . 99 LEU HB1 . 15011 1 1217 . 1 1 99 99 LEU HB3 H 1 0.929 0.001 . 2 . . . . 99 LEU HB2 . 15011 1 1218 . 1 1 99 99 LEU HG H 1 1.486 0.001 . 1 . . . . 99 LEU HG . 15011 1 1219 . 1 1 99 99 LEU HD11 H 1 0.415 0.001 . 1 . . . . 99 LEU HD1 . 15011 1 1220 . 1 1 99 99 LEU HD12 H 1 0.415 0.001 . 1 . . . . 99 LEU HD1 . 15011 1 1221 . 1 1 99 99 LEU HD13 H 1 0.415 0.001 . 1 . . . . 99 LEU HD1 . 15011 1 1222 . 1 1 99 99 LEU HD21 H 1 0.572 0.001 . 1 . . . . 99 LEU HD2 . 15011 1 1223 . 1 1 99 99 LEU HD22 H 1 0.572 0.001 . 1 . . . . 99 LEU HD2 . 15011 1 1224 . 1 1 99 99 LEU HD23 H 1 0.572 0.001 . 1 . . . . 99 LEU HD2 . 15011 1 1225 . 1 1 99 99 LEU C C 13 177.485 0.2 . 1 . . . . 99 LEU C . 15011 1 1226 . 1 1 99 99 LEU CA C 13 55.501 0.2 . 1 . . . . 99 LEU CA . 15011 1 1227 . 1 1 99 99 LEU CB C 13 41.156 0.2 . 1 . . . . 99 LEU CB . 15011 1 1228 . 1 1 99 99 LEU CG C 13 25.22 0.2 . 1 . . . . 99 LEU CG . 15011 1 1229 . 1 1 99 99 LEU CD1 C 13 22.706 0.2 . 2 . . . . 99 LEU CD1 . 15011 1 1230 . 1 1 99 99 LEU CD2 C 13 20.267 0.2 . 2 . . . . 99 LEU CD2 . 15011 1 1231 . 1 1 99 99 LEU N N 15 123.091 0.2 . 1 . . . . 99 LEU N . 15011 1 1232 . 1 1 100 100 THR H H 1 7.186 0.001 . 1 . . . . 100 THR H . 15011 1 1233 . 1 1 100 100 THR HA H 1 4.847 0.001 . 1 . . . . 100 THR HA . 15011 1 1234 . 1 1 100 100 THR HB H 1 4.454 0.001 . 1 . . . . 100 THR HB . 15011 1 1235 . 1 1 100 100 THR C C 13 170.73 0.2 . 1 . . . . 100 THR C . 15011 1 1236 . 1 1 100 100 THR CA C 13 57.519 0.2 . 1 . . . . 100 THR CA . 15011 1 1237 . 1 1 100 100 THR CB C 13 64.898 0.2 . 1 . . . . 100 THR CB . 15011 1 1238 . 1 1 100 100 THR N N 15 106.223 0.2 . 1 . . . . 100 THR N . 15011 1 1239 . 1 1 101 101 HIS H H 1 8.163 0.001 . 1 . . . . 101 HIS H . 15011 1 1240 . 1 1 101 101 HIS HA H 1 5.721 0.001 . 1 . . . . 101 HIS HA . 15011 1 1241 . 1 1 101 101 HIS HB2 H 1 2.648 0.001 . 2 . . . . 101 HIS HB1 . 15011 1 1242 . 1 1 101 101 HIS HB3 H 1 2.716 0.001 . 2 . . . . 101 HIS HB2 . 15011 1 1243 . 1 1 101 101 HIS C C 13 172.491 0.2 . 1 . . . . 101 HIS C . 15011 1 1244 . 1 1 101 101 HIS CA C 13 51.804 0.2 . 1 . . . . 101 HIS CA . 15011 1 1245 . 1 1 101 101 HIS CB C 13 32.774 0.2 . 1 . . . . 101 HIS CB . 15011 1 1246 . 1 1 102 102 PHE H H 1 8.677 0.001 . 1 . . . . 102 PHE H . 15011 1 1247 . 1 1 102 102 PHE HA H 1 4.648 0.001 . 1 . . . . 102 PHE HA . 15011 1 1248 . 1 1 102 102 PHE HB2 H 1 2.911 0.001 . 2 . . . . 102 PHE HB1 . 15011 1 1249 . 1 1 102 102 PHE HB3 H 1 2.15 0.001 . 2 . . . . 102 PHE HB2 . 15011 1 1250 . 1 1 102 102 PHE HD1 H 1 7.009 0.001 . 3 . . . . 102 PHE HD1 . 15011 1 1251 . 1 1 102 102 PHE HE1 H 1 6.504 0.001 . 3 . . . . 102 PHE HE1 . 15011 1 1252 . 1 1 102 102 PHE C C 13 174.144 0.2 . 1 . . . . 102 PHE C . 15011 1 1253 . 1 1 102 102 PHE CA C 13 53.829 0.2 . 1 . . . . 102 PHE CA . 15011 1 1254 . 1 1 102 102 PHE CB C 13 40.165 0.2 . 1 . . . . 102 PHE CB . 15011 1 1255 . 1 1 102 102 PHE N N 15 120.204 0.2 . 1 . . . . 102 PHE N . 15011 1 1256 . 1 1 103 103 ALA H H 1 8.524 0.001 . 1 . . . . 103 ALA H . 15011 1 1257 . 1 1 103 103 ALA HA H 1 4.937 0.001 . 1 . . . . 103 ALA HA . 15011 1 1258 . 1 1 103 103 ALA HB1 H 1 1.242 0.001 . 1 . . . . 103 ALA HB . 15011 1 1259 . 1 1 103 103 ALA HB2 H 1 1.242 0.001 . 1 . . . . 103 ALA HB . 15011 1 1260 . 1 1 103 103 ALA HB3 H 1 1.242 0.001 . 1 . . . . 103 ALA HB . 15011 1 1261 . 1 1 103 103 ALA C C 13 176.9 0.2 . 1 . . . . 103 ALA C . 15011 1 1262 . 1 1 103 103 ALA CA C 13 48.315 0.2 . 1 . . . . 103 ALA CA . 15011 1 1263 . 1 1 103 103 ALA CB C 13 17.804 0.2 . 1 . . . . 103 ALA CB . 15011 1 1264 . 1 1 103 103 ALA N N 15 125.588 0.2 . 1 . . . . 103 ALA N . 15011 1 1265 . 1 1 104 104 LYS H H 1 8.488 0.001 . 1 . . . . 104 LYS H . 15011 1 1266 . 1 1 104 104 LYS HA H 1 4.211 0.001 . 1 . . . . 104 LYS HA . 15011 1 1267 . 1 1 104 104 LYS HB2 H 1 1.791 0.001 . 2 . . . . 104 LYS HB1 . 15011 1 1268 . 1 1 104 104 LYS HG2 H 1 1.371 0.001 . 2 . . . . 104 LYS HG1 . 15011 1 1269 . 1 1 104 104 LYS HG3 H 1 1.084 0.001 . 2 . . . . 104 LYS HG2 . 15011 1 1270 . 1 1 104 104 LYS HD2 H 1 1.442 0.001 . 2 . . . . 104 LYS HD1 . 15011 1 1271 . 1 1 104 104 LYS HD3 H 1 1.51 0.001 . 2 . . . . 104 LYS HD2 . 15011 1 1272 . 1 1 104 104 LYS HE2 H 1 2.965 0.001 . 2 . . . . 104 LYS HE1 . 15011 1 1273 . 1 1 104 104 LYS HE3 H 1 2.867 0.001 . 2 . . . . 104 LYS HE2 . 15011 1 1274 . 1 1 104 104 LYS C C 13 175.49 0.2 . 1 . . . . 104 LYS C . 15011 1 1275 . 1 1 104 104 LYS CA C 13 52.099 0.2 . 1 . . . . 104 LYS CA . 15011 1 1276 . 1 1 104 104 LYS CB C 13 30.77 0.2 . 1 . . . . 104 LYS CB . 15011 1 1277 . 1 1 104 104 LYS N N 15 120.851 0.2 . 1 . . . . 104 LYS N . 15011 1 1278 . 1 1 105 105 PRO HA H 1 4.291 0.001 . 1 . . . . 105 PRO HA . 15011 1 1279 . 1 1 105 105 PRO HB2 H 1 2.208 0.001 . 2 . . . . 105 PRO HB1 . 15011 1 1280 . 1 1 105 105 PRO HB3 H 1 1.944 0.001 . 2 . . . . 105 PRO HB2 . 15011 1 1281 . 1 1 105 105 PRO HG2 H 1 1.864 0.001 . 2 . . . . 105 PRO HG1 . 15011 1 1282 . 1 1 105 105 PRO HG3 H 1 1.933 0.001 . 2 . . . . 105 PRO HG2 . 15011 1 1283 . 1 1 105 105 PRO HD2 H 1 3.629 0.001 . 2 . . . . 105 PRO HD1 . 15011 1 1284 . 1 1 105 105 PRO HD3 H 1 2.428 0.001 . 2 . . . . 105 PRO HD2 . 15011 1 1285 . 1 1 105 105 PRO C C 13 175.549 0.2 . 1 . . . . 105 PRO C . 15011 1 1286 . 1 1 105 105 PRO CA C 13 60.017 0.2 . 1 . . . . 105 PRO CA . 15011 1 1287 . 1 1 105 105 PRO CB C 13 31.459 0.2 . 1 . . . . 105 PRO CB . 15011 1 1288 . 1 1 105 105 PRO CG C 13 22.701 0.2 . 1 . . . . 105 PRO CG . 15011 1 1289 . 1 1 105 105 PRO CD C 13 47.669 0.2 . 1 . . . . 105 PRO CD . 15011 1 1290 . 1 1 106 106 PHE H H 1 7.625 0.001 . 1 . . . . 106 PHE H . 15011 1 1291 . 1 1 106 106 PHE HA H 1 5.084 0.001 . 1 . . . . 106 PHE HA . 15011 1 1292 . 1 1 106 106 PHE HB2 H 1 3.119 0.001 . 2 . . . . 106 PHE HB1 . 15011 1 1293 . 1 1 106 106 PHE HB3 H 1 3.164 0.001 . 2 . . . . 106 PHE HB2 . 15011 1 1294 . 1 1 106 106 PHE HD1 H 1 7.211 0.001 . 3 . . . . 106 PHE HD1 . 15011 1 1295 . 1 1 106 106 PHE HE1 H 1 6.982 0.001 . 3 . . . . 106 PHE HE1 . 15011 1 1296 . 1 1 106 106 PHE C C 13 175.306 0.2 . 1 . . . . 106 PHE C . 15011 1 1297 . 1 1 106 106 PHE CA C 13 51.911 0.2 . 1 . . . . 106 PHE CA . 15011 1 1298 . 1 1 106 106 PHE CB C 13 38.464 0.2 . 1 . . . . 106 PHE CB . 15011 1 1299 . 1 1 106 106 PHE N N 15 119.615 0.2 . 1 . . . . 106 PHE N . 15011 1 1300 . 1 1 107 107 ASP H H 1 9.242 0.001 . 1 . . . . 107 ASP H . 15011 1 1301 . 1 1 107 107 ASP HA H 1 4.861 0.001 . 1 . . . . 107 ASP HA . 15011 1 1302 . 1 1 107 107 ASP HB2 H 1 2.89 0.001 . 2 . . . . 107 ASP HB1 . 15011 1 1303 . 1 1 107 107 ASP HB3 H 1 2.615 0.001 . 2 . . . . 107 ASP HB2 . 15011 1 1304 . 1 1 107 107 ASP C C 13 176.987 0.2 . 1 . . . . 107 ASP C . 15011 1 1305 . 1 1 107 107 ASP CA C 13 50.987 0.2 . 1 . . . . 107 ASP CA . 15011 1 1306 . 1 1 107 107 ASP CB C 13 40.145 0.2 . 1 . . . . 107 ASP CB . 15011 1 1307 . 1 1 107 107 ASP N N 15 123.206 0.2 . 1 . . . . 107 ASP N . 15011 1 1308 . 1 1 108 108 ILE H H 1 8.794 0.001 . 1 . . . . 108 ILE H . 15011 1 1309 . 1 1 108 108 ILE HA H 1 3.726 0.001 . 1 . . . . 108 ILE HA . 15011 1 1310 . 1 1 108 108 ILE HB H 1 1.891 0.001 . 1 . . . . 108 ILE HB . 15011 1 1311 . 1 1 108 108 ILE HG12 H 1 1.383 0.001 . 2 . . . . 108 ILE HG11 . 15011 1 1312 . 1 1 108 108 ILE HG21 H 1 0.851 0.001 . 1 . . . . 108 ILE HG2 . 15011 1 1313 . 1 1 108 108 ILE HG22 H 1 0.851 0.001 . 1 . . . . 108 ILE HG2 . 15011 1 1314 . 1 1 108 108 ILE HG23 H 1 0.851 0.001 . 1 . . . . 108 ILE HG2 . 15011 1 1315 . 1 1 108 108 ILE HD11 H 1 0.778 0.001 . 1 . . . . 108 ILE HD1 . 15011 1 1316 . 1 1 108 108 ILE HD12 H 1 0.778 0.001 . 1 . . . . 108 ILE HD1 . 15011 1 1317 . 1 1 108 108 ILE HD13 H 1 0.778 0.001 . 1 . . . . 108 ILE HD1 . 15011 1 1318 . 1 1 108 108 ILE C C 13 176.199 0.2 . 1 . . . . 108 ILE C . 15011 1 1319 . 1 1 108 108 ILE CA C 13 60.518 0.2 . 1 . . . . 108 ILE CA . 15011 1 1320 . 1 1 108 108 ILE CB C 13 35.316 0.2 . 1 . . . . 108 ILE CB . 15011 1 1321 . 1 1 108 108 ILE CG1 C 13 26.519 0.2 . 1 . . . . 108 ILE CG1 . 15011 1 1322 . 1 1 108 108 ILE CG2 C 13 16.497 0.2 . 1 . . . . 108 ILE CG2 . 15011 1 1323 . 1 1 108 108 ILE CD1 C 13 11.008 0.2 . 1 . . . . 108 ILE CD1 . 15011 1 1324 . 1 1 108 108 ILE N N 15 127.251 0.2 . 1 . . . . 108 ILE N . 15011 1 1325 . 1 1 109 109 ASP H H 1 8.032 0.001 . 1 . . . . 109 ASP H . 15011 1 1326 . 1 1 109 109 ASP HA H 1 4.247 0.001 . 1 . . . . 109 ASP HA . 15011 1 1327 . 1 1 109 109 ASP HB2 H 1 2.694 0.001 . 2 . . . . 109 ASP HB1 . 15011 1 1328 . 1 1 109 109 ASP HB3 H 1 2.631 0.001 . 2 . . . . 109 ASP HB2 . 15011 1 1329 . 1 1 109 109 ASP C C 13 178.276 0.2 . 1 . . . . 109 ASP C . 15011 1 1330 . 1 1 109 109 ASP CA C 13 55.128 0.2 . 1 . . . . 109 ASP CA . 15011 1 1331 . 1 1 109 109 ASP CB C 13 37.713 0.2 . 1 . . . . 109 ASP CB . 15011 1 1332 . 1 1 109 109 ASP N N 15 121.551 0.2 . 1 . . . . 109 ASP N . 15011 1 1333 . 1 1 110 110 GLU H H 1 7.738 0.001 . 1 . . . . 110 GLU H . 15011 1 1334 . 1 1 110 110 GLU HA H 1 4.036 0.001 . 1 . . . . 110 GLU HA . 15011 1 1335 . 1 1 110 110 GLU HB2 H 1 2.212 0.001 . 2 . . . . 110 GLU HB1 . 15011 1 1336 . 1 1 110 110 GLU HG2 H 1 2.414 0.001 . 2 . . . . 110 GLU HG1 . 15011 1 1337 . 1 1 110 110 GLU HG3 H 1 2.251 0.001 . 2 . . . . 110 GLU HG2 . 15011 1 1338 . 1 1 110 110 GLU C C 13 179.896 0.2 . 1 . . . . 110 GLU C . 15011 1 1339 . 1 1 110 110 GLU CA C 13 57.514 0.2 . 1 . . . . 110 GLU CA . 15011 1 1340 . 1 1 110 110 GLU CB C 13 27.71 0.2 . 1 . . . . 110 GLU CB . 15011 1 1341 . 1 1 110 110 GLU CG C 13 34.54 0.2 . 1 . . . . 110 GLU CG . 15011 1 1342 . 1 1 110 110 GLU N N 15 120.647 0.2 . 1 . . . . 110 GLU N . 15011 1 1343 . 1 1 111 111 ILE H H 1 7.562 0.001 . 1 . . . . 111 ILE H . 15011 1 1344 . 1 1 111 111 ILE HA H 1 3.296 0.001 . 1 . . . . 111 ILE HA . 15011 1 1345 . 1 1 111 111 ILE HB H 1 1.167 0.001 . 1 . . . . 111 ILE HB . 15011 1 1346 . 1 1 111 111 ILE HG12 H 1 0.291 0.001 . 2 . . . . 111 ILE HG11 . 15011 1 1347 . 1 1 111 111 ILE HG13 H 1 0.223 0.001 . 2 . . . . 111 ILE HG12 . 15011 1 1348 . 1 1 111 111 ILE HG21 H 1 0.45 0.001 . 1 . . . . 111 ILE HG2 . 15011 1 1349 . 1 1 111 111 ILE HG22 H 1 0.45 0.001 . 1 . . . . 111 ILE HG2 . 15011 1 1350 . 1 1 111 111 ILE HG23 H 1 0.45 0.001 . 1 . . . . 111 ILE HG2 . 15011 1 1351 . 1 1 111 111 ILE HD11 H 1 -0.377 0.001 . 1 . . . . 111 ILE HD1 . 15011 1 1352 . 1 1 111 111 ILE HD12 H 1 -0.377 0.001 . 1 . . . . 111 ILE HD1 . 15011 1 1353 . 1 1 111 111 ILE HD13 H 1 -0.377 0.001 . 1 . . . . 111 ILE HD1 . 15011 1 1354 . 1 1 111 111 ILE C C 13 177.037 0.2 . 1 . . . . 111 ILE C . 15011 1 1355 . 1 1 111 111 ILE CA C 13 61.641 0.2 . 1 . . . . 111 ILE CA . 15011 1 1356 . 1 1 111 111 ILE CB C 13 35.119 0.2 . 1 . . . . 111 ILE CB . 15011 1 1357 . 1 1 111 111 ILE CG1 C 13 26.296 0.2 . 1 . . . . 111 ILE CG1 . 15011 1 1358 . 1 1 111 111 ILE CG2 C 13 15.239 0.2 . 1 . . . . 111 ILE CG2 . 15011 1 1359 . 1 1 111 111 ILE CD1 C 13 9.03 0.2 . 1 . . . . 111 ILE CD1 . 15011 1 1360 . 1 1 111 111 ILE N N 15 120.405 0.2 . 1 . . . . 111 ILE N . 15011 1 1361 . 1 1 112 112 ARG H H 1 8.24 0.001 . 1 . . . . 112 ARG H . 15011 1 1362 . 1 1 112 112 ARG HA H 1 3.855 0.001 . 1 . . . . 112 ARG HA . 15011 1 1363 . 1 1 112 112 ARG HB2 H 1 1.996 0.001 . 2 . . . . 112 ARG HB1 . 15011 1 1364 . 1 1 112 112 ARG HB3 H 1 1.493 0.001 . 2 . . . . 112 ARG HB2 . 15011 1 1365 . 1 1 112 112 ARG HG2 H 1 1.643 0.001 . 2 . . . . 112 ARG HG1 . 15011 1 1366 . 1 1 112 112 ARG HG3 H 1 1.33 0.001 . 2 . . . . 112 ARG HG2 . 15011 1 1367 . 1 1 112 112 ARG HD2 H 1 3.198 0.001 . 2 . . . . 112 ARG HD1 . 15011 1 1368 . 1 1 112 112 ARG HD3 H 1 3.07 0.001 . 2 . . . . 112 ARG HD2 . 15011 1 1369 . 1 1 112 112 ARG C C 13 177.963 0.2 . 1 . . . . 112 ARG C . 15011 1 1370 . 1 1 112 112 ARG CA C 13 58.047 0.2 . 1 . . . . 112 ARG CA . 15011 1 1371 . 1 1 112 112 ARG CB C 13 27.783 0.2 . 1 . . . . 112 ARG CB . 15011 1 1372 . 1 1 112 112 ARG CG C 13 25.213 0.2 . 1 . . . . 112 ARG CG . 15011 1 1373 . 1 1 112 112 ARG CD C 13 41.215 0.2 . 1 . . . . 112 ARG CD . 15011 1 1374 . 1 1 112 112 ARG N N 15 122.217 0.2 . 1 . . . . 112 ARG N . 15011 1 1375 . 1 1 113 113 ASP H H 1 7.998 0.001 . 1 . . . . 113 ASP H . 15011 1 1376 . 1 1 113 113 ASP HA H 1 4.295 0.001 . 1 . . . . 113 ASP HA . 15011 1 1377 . 1 1 113 113 ASP HB2 H 1 2.713 0.001 . 2 . . . . 113 ASP HB1 . 15011 1 1378 . 1 1 113 113 ASP HB3 H 1 2.559 0.001 . 2 . . . . 113 ASP HB2 . 15011 1 1379 . 1 1 113 113 ASP C C 13 178.621 0.2 . 1 . . . . 113 ASP C . 15011 1 1380 . 1 1 113 113 ASP CA C 13 55.172 0.2 . 1 . . . . 113 ASP CA . 15011 1 1381 . 1 1 113 113 ASP CB C 13 37.757 0.2 . 1 . . . . 113 ASP CB . 15011 1 1382 . 1 1 113 113 ASP N N 15 118.326 0.2 . 1 . . . . 113 ASP N . 15011 1 1383 . 1 1 114 114 ALA H H 1 7.992 0.001 . 1 . . . . 114 ALA H . 15011 1 1384 . 1 1 114 114 ALA HA H 1 4.093 0.001 . 1 . . . . 114 ALA HA . 15011 1 1385 . 1 1 114 114 ALA HB1 H 1 1.663 0.001 . 1 . . . . 114 ALA HB . 15011 1 1386 . 1 1 114 114 ALA HB2 H 1 1.663 0.001 . 1 . . . . 114 ALA HB . 15011 1 1387 . 1 1 114 114 ALA HB3 H 1 1.663 0.001 . 1 . . . . 114 ALA HB . 15011 1 1388 . 1 1 114 114 ALA C C 13 179.45 0.2 . 1 . . . . 114 ALA C . 15011 1 1389 . 1 1 114 114 ALA CA C 13 53.008 0.2 . 1 . . . . 114 ALA CA . 15011 1 1390 . 1 1 114 114 ALA CB C 13 16.496 0.2 . 1 . . . . 114 ALA CB . 15011 1 1391 . 1 1 114 114 ALA N N 15 123.179 0.2 . 1 . . . . 114 ALA N . 15011 1 1392 . 1 1 115 115 VAL H H 1 8.282 0.001 . 1 . . . . 115 VAL H . 15011 1 1393 . 1 1 115 115 VAL HA H 1 3.335 0.001 . 1 . . . . 115 VAL HA . 15011 1 1394 . 1 1 115 115 VAL HB H 1 2.016 0.001 . 1 . . . . 115 VAL HB . 15011 1 1395 . 1 1 115 115 VAL HG11 H 1 0.769 0.001 . 1 . . . . 115 VAL HG1 . 15011 1 1396 . 1 1 115 115 VAL HG12 H 1 0.769 0.001 . 1 . . . . 115 VAL HG1 . 15011 1 1397 . 1 1 115 115 VAL HG13 H 1 0.769 0.001 . 1 . . . . 115 VAL HG1 . 15011 1 1398 . 1 1 115 115 VAL HG21 H 1 0.221 0.001 . 1 . . . . 115 VAL HG2 . 15011 1 1399 . 1 1 115 115 VAL HG22 H 1 0.221 0.001 . 1 . . . . 115 VAL HG2 . 15011 1 1400 . 1 1 115 115 VAL HG23 H 1 0.221 0.001 . 1 . . . . 115 VAL HG2 . 15011 1 1401 . 1 1 115 115 VAL C C 13 176.828 0.2 . 1 . . . . 115 VAL C . 15011 1 1402 . 1 1 115 115 VAL CA C 13 65.87 0.2 . 1 . . . . 115 VAL CA . 15011 1 1403 . 1 1 115 115 VAL CB C 13 28.544 0.2 . 1 . . . . 115 VAL CB . 15011 1 1404 . 1 1 115 115 VAL CG1 C 13 18.978 0.2 . 2 . . . . 115 VAL CG1 . 15011 1 1405 . 1 1 115 115 VAL CG2 C 13 21.523 0.2 . 2 . . . . 115 VAL CG2 . 15011 1 1406 . 1 1 115 115 VAL N N 15 118.643 0.2 . 1 . . . . 115 VAL N . 15011 1 1407 . 1 1 116 116 LYS H H 1 7.844 0.001 . 1 . . . . 116 LYS H . 15011 1 1408 . 1 1 116 116 LYS HA H 1 3.976 0.001 . 1 . . . . 116 LYS HA . 15011 1 1409 . 1 1 116 116 LYS HB2 H 1 1.707 0.001 . 2 . . . . 116 LYS HB1 . 15011 1 1410 . 1 1 116 116 LYS HG2 H 1 1.88 0.001 . 2 . . . . 116 LYS HG1 . 15011 1 1411 . 1 1 116 116 LYS HG3 H 1 1.679 0.001 . 2 . . . . 116 LYS HG2 . 15011 1 1412 . 1 1 116 116 LYS HD2 H 1 1.371 0.001 . 2 . . . . 116 LYS HD1 . 15011 1 1413 . 1 1 116 116 LYS HD3 H 1 1.445 0.001 . 2 . . . . 116 LYS HD2 . 15011 1 1414 . 1 1 116 116 LYS HE2 H 1 2.987 0.001 . 2 . . . . 116 LYS HE1 . 15011 1 1415 . 1 1 116 116 LYS HE3 H 1 2.942 0.001 . 2 . . . . 116 LYS HE2 . 15011 1 1416 . 1 1 116 116 LYS C C 13 178.374 0.2 . 1 . . . . 116 LYS C . 15011 1 1417 . 1 1 116 116 LYS CA C 13 57.655 0.2 . 1 . . . . 116 LYS CA . 15011 1 1418 . 1 1 116 116 LYS CB C 13 30.233 0.2 . 1 . . . . 116 LYS CB . 15011 1 1419 . 1 1 116 116 LYS CG C 13 23.3 0.2 . 1 . . . . 116 LYS CG . 15011 1 1420 . 1 1 116 116 LYS CD C 13 27.677 0.2 . 1 . . . . 116 LYS CD . 15011 1 1421 . 1 1 116 116 LYS CE C 13 40.187 0.2 . 1 . . . . 116 LYS CE . 15011 1 1422 . 1 1 116 116 LYS N N 15 117.122 0.2 . 1 . . . . 116 LYS N . 15011 1 1423 . 1 1 117 117 LYS H H 1 7.347 0.001 . 1 . . . . 117 LYS H . 15011 1 1424 . 1 1 117 117 LYS HA H 1 3.924 0.001 . 1 . . . . 117 LYS HA . 15011 1 1425 . 1 1 117 117 LYS HB2 H 1 1.625 0.001 . 2 . . . . 117 LYS HB1 . 15011 1 1426 . 1 1 117 117 LYS HG2 H 1 0.841 0.001 . 2 . . . . 117 LYS HG1 . 15011 1 1427 . 1 1 117 117 LYS HG3 H 1 1.256 0.001 . 2 . . . . 117 LYS HG2 . 15011 1 1428 . 1 1 117 117 LYS HD2 H 1 1.382 0.001 . 2 . . . . 117 LYS HD1 . 15011 1 1429 . 1 1 117 117 LYS HD3 H 1 1.225 0.001 . 2 . . . . 117 LYS HD2 . 15011 1 1430 . 1 1 117 117 LYS HE2 H 1 2.731 0.001 . 2 . . . . 117 LYS HE1 . 15011 1 1431 . 1 1 117 117 LYS HE3 H 1 2.692 0.001 . 2 . . . . 117 LYS HE2 . 15011 1 1432 . 1 1 117 117 LYS C C 13 178.541 0.2 . 1 . . . . 117 LYS C . 15011 1 1433 . 1 1 117 117 LYS CA C 13 56.451 0.2 . 1 . . . . 117 LYS CA . 15011 1 1434 . 1 1 117 117 LYS CB C 13 30.307 0.2 . 1 . . . . 117 LYS CB . 15011 1 1435 . 1 1 117 117 LYS CG C 13 22.736 0.2 . 1 . . . . 117 LYS CG . 15011 1 1436 . 1 1 117 117 LYS CD C 13 27.039 0.2 . 1 . . . . 117 LYS CD . 15011 1 1437 . 1 1 117 117 LYS CE C 13 40.165 0.2 . 1 . . . . 117 LYS CE . 15011 1 1438 . 1 1 117 117 LYS N N 15 117.971 0.2 . 1 . . . . 117 LYS N . 15011 1 1439 . 1 1 118 118 TYR H H 1 7.865 0.001 . 1 . . . . 118 TYR H . 15011 1 1440 . 1 1 118 118 TYR HA H 1 4.475 0.001 . 1 . . . . 118 TYR HA . 15011 1 1441 . 1 1 118 118 TYR HB2 H 1 2.986 0.001 . 2 . . . . 118 TYR HB1 . 15011 1 1442 . 1 1 118 118 TYR HB3 H 1 2.518 0.001 . 2 . . . . 118 TYR HB2 . 15011 1 1443 . 1 1 118 118 TYR HD1 H 1 7.11 0.001 . 3 . . . . 118 TYR HD1 . 15011 1 1444 . 1 1 118 118 TYR HE1 H 1 6.746 0.001 . 3 . . . . 118 TYR HE1 . 15011 1 1445 . 1 1 118 118 TYR C C 13 175.663 0.2 . 1 . . . . 118 TYR C . 15011 1 1446 . 1 1 118 118 TYR CA C 13 57.503 0.2 . 1 . . . . 118 TYR CA . 15011 1 1447 . 1 1 118 118 TYR CB C 13 36.568 0.2 . 1 . . . . 118 TYR CB . 15011 1 1448 . 1 1 118 118 TYR N N 15 117.115 0.2 . 1 . . . . 118 TYR N . 15011 1 1449 . 1 1 119 119 LEU H H 1 8.5 0.001 . 1 . . . . 119 LEU H . 15011 1 1450 . 1 1 119 119 LEU HA H 1 4.648 0.001 . 1 . . . . 119 LEU HA . 15011 1 1451 . 1 1 119 119 LEU HB2 H 1 1.938 0.001 . 2 . . . . 119 LEU HB1 . 15011 1 1452 . 1 1 119 119 LEU HB3 H 1 1.034 0.001 . 2 . . . . 119 LEU HB2 . 15011 1 1453 . 1 1 119 119 LEU HG H 1 1.588 0.001 . 1 . . . . 119 LEU HG . 15011 1 1454 . 1 1 119 119 LEU HD11 H 1 0.715 0.001 . 1 . . . . 119 LEU HD1 . 15011 1 1455 . 1 1 119 119 LEU HD12 H 1 0.715 0.001 . 1 . . . . 119 LEU HD1 . 15011 1 1456 . 1 1 119 119 LEU HD13 H 1 0.715 0.001 . 1 . . . . 119 LEU HD1 . 15011 1 1457 . 1 1 119 119 LEU HD21 H 1 0.64 0.001 . 1 . . . . 119 LEU HD2 . 15011 1 1458 . 1 1 119 119 LEU HD22 H 1 0.64 0.001 . 1 . . . . 119 LEU HD2 . 15011 1 1459 . 1 1 119 119 LEU HD23 H 1 0.64 0.001 . 1 . . . . 119 LEU HD2 . 15011 1 1460 . 1 1 119 119 LEU C C 13 171.33 0.2 . 1 . . . . 119 LEU C . 15011 1 1461 . 1 1 119 119 LEU CA C 13 49.964 0.2 . 1 . . . . 119 LEU CA . 15011 1 1462 . 1 1 119 119 LEU CB C 13 41.007 0.2 . 1 . . . . 119 LEU CB . 15011 1 1463 . 1 1 119 119 LEU CD1 C 13 23.014 0.2 . 2 . . . . 119 LEU CD1 . 15011 1 1464 . 1 1 119 119 LEU CD2 C 13 24.307 0.2 . 2 . . . . 119 LEU CD2 . 15011 1 1465 . 1 1 119 119 LEU N N 15 122.233 0.2 . 1 . . . . 119 LEU N . 15011 1 1466 . 1 1 120 120 PRO HA H 1 4.483 0.001 . 1 . . . . 120 PRO HA . 15011 1 1467 . 1 1 120 120 PRO HB2 H 1 2.258 0.001 . 2 . . . . 120 PRO HB1 . 15011 1 1468 . 1 1 120 120 PRO HB3 H 1 1.798 0.001 . 2 . . . . 120 PRO HB2 . 15011 1 1469 . 1 1 120 120 PRO HG2 H 1 1.971 0.001 . 2 . . . . 120 PRO HG1 . 15011 1 1470 . 1 1 120 120 PRO HD2 H 1 3.623 0.001 . 2 . . . . 120 PRO HD1 . 15011 1 1471 . 1 1 120 120 PRO HD3 H 1 3.429 0.001 . 2 . . . . 120 PRO HD2 . 15011 1 1472 . 1 1 120 120 PRO C C 13 176.989 0.2 . 1 . . . . 120 PRO C . 15011 1 1473 . 1 1 120 120 PRO CA C 13 61.273 0.2 . 1 . . . . 120 PRO CA . 15011 1 1474 . 1 1 120 120 PRO CB C 13 29.559 0.2 . 1 . . . . 120 PRO CB . 15011 1 1475 . 1 1 120 120 PRO CG C 13 25.152 0.2 . 1 . . . . 120 PRO CG . 15011 1 1476 . 1 1 120 120 PRO CD C 13 48.293 0.2 . 1 . . . . 120 PRO CD . 15011 1 1477 . 1 1 121 121 LEU H H 1 8.25 0.001 . 1 . . . . 121 LEU H . 15011 1 1478 . 1 1 121 121 LEU HA H 1 4.278 0.001 . 1 . . . . 121 LEU HA . 15011 1 1479 . 1 1 121 121 LEU HB2 H 1 1.403 0.001 . 2 . . . . 121 LEU HB1 . 15011 1 1480 . 1 1 121 121 LEU HB3 H 1 1.51 0.001 . 2 . . . . 121 LEU HB2 . 15011 1 1481 . 1 1 121 121 LEU HG H 1 1.416 0.001 . 1 . . . . 121 LEU HG . 15011 1 1482 . 1 1 121 121 LEU HD11 H 1 0.52 0.001 . 1 . . . . 121 LEU HD1 . 15011 1 1483 . 1 1 121 121 LEU HD12 H 1 0.52 0.001 . 1 . . . . 121 LEU HD1 . 15011 1 1484 . 1 1 121 121 LEU HD13 H 1 0.52 0.001 . 1 . . . . 121 LEU HD1 . 15011 1 1485 . 1 1 121 121 LEU HD21 H 1 0.484 0.001 . 1 . . . . 121 LEU HD2 . 15011 1 1486 . 1 1 121 121 LEU HD22 H 1 0.484 0.001 . 1 . . . . 121 LEU HD2 . 15011 1 1487 . 1 1 121 121 LEU HD23 H 1 0.484 0.001 . 1 . . . . 121 LEU HD2 . 15011 1 1488 . 1 1 121 121 LEU C C 13 178.152 0.2 . 1 . . . . 121 LEU C . 15011 1 1489 . 1 1 121 121 LEU CA C 13 52.63 0.2 . 1 . . . . 121 LEU CA . 15011 1 1490 . 1 1 121 121 LEU CB C 13 40.226 0.2 . 1 . . . . 121 LEU CB . 15011 1 1491 . 1 1 121 121 LEU CG C 13 25.17 0.2 . 1 . . . . 121 LEU CG . 15011 1 1492 . 1 1 121 121 LEU CD1 C 13 22.689 0.2 . 2 . . . . 121 LEU CD1 . 15011 1 1493 . 1 1 121 121 LEU CD2 C 13 21.866 0.2 . 2 . . . . 121 LEU CD2 . 15011 1 1494 . 1 1 121 121 LEU N N 15 124.326 0.2 . 1 . . . . 121 LEU N . 15011 1 1495 . 1 1 122 122 LYS H H 1 8.614 0.001 . 1 . . . . 122 LYS H . 15011 1 1496 . 1 1 122 122 LYS HA H 1 4.201 0.001 . 1 . . . . 122 LYS HA . 15011 1 1497 . 1 1 122 122 LYS HB2 H 1 1.785 0.001 . 2 . . . . 122 LYS HB1 . 15011 1 1498 . 1 1 122 122 LYS HG2 H 1 1.422 0.001 . 2 . . . . 122 LYS HG1 . 15011 1 1499 . 1 1 122 122 LYS HG3 H 1 1.386 0.001 . 2 . . . . 122 LYS HG2 . 15011 1 1500 . 1 1 122 122 LYS HD2 H 1 1.651 0.001 . 2 . . . . 122 LYS HD1 . 15011 1 1501 . 1 1 122 122 LYS HE2 H 1 2.952 0.001 . 2 . . . . 122 LYS HE1 . 15011 1 1502 . 1 1 122 122 LYS C C 13 177.17 0.2 . 1 . . . . 122 LYS C . 15011 1 1503 . 1 1 122 122 LYS CA C 13 55.134 0.2 . 1 . . . . 122 LYS CA . 15011 1 1504 . 1 1 122 122 LYS CB C 13 30.22 0.2 . 1 . . . . 122 LYS CB . 15011 1 1505 . 1 1 122 122 LYS CG C 13 22.716 0.2 . 1 . . . . 122 LYS CG . 15011 1 1506 . 1 1 122 122 LYS CD C 13 26.468 0.2 . 1 . . . . 122 LYS CD . 15011 1 1507 . 1 1 122 122 LYS CE C 13 40.201 0.2 . 1 . . . . 122 LYS CE . 15011 1 1508 . 1 1 122 122 LYS N N 15 124.695 0.2 . 1 . . . . 122 LYS N . 15011 1 1509 . 1 1 123 123 SER H H 1 8.579 0.001 . 1 . . . . 123 SER H . 15011 1 1510 . 1 1 123 123 SER HA H 1 3.832 0.001 . 1 . . . . 123 SER HA . 15011 1 1511 . 1 1 123 123 SER HB2 H 1 4.295 0.001 . 2 . . . . 123 SER HB1 . 15011 1 1512 . 1 1 123 123 SER C C 13 174.995 0.2 . 1 . . . . 123 SER C . 15011 1 1513 . 1 1 123 123 SER CA C 13 56.984 0.2 . 1 . . . . 123 SER CA . 15011 1 1514 . 1 1 123 123 SER CB C 13 61.312 0.2 . 1 . . . . 123 SER CB . 15011 1 1515 . 1 1 123 123 SER N N 15 116.734 0.2 . 1 . . . . 123 SER N . 15011 1 1516 . 1 1 124 124 ASN H H 1 8.127 0.001 . 1 . . . . 124 ASN H . 15011 1 1517 . 1 1 124 124 ASN HA H 1 4.289 0.001 . 1 . . . . 124 ASN HA . 15011 1 1518 . 1 1 124 124 ASN HB2 H 1 2.539 0.001 . 2 . . . . 124 ASN HB1 . 15011 1 1519 . 1 1 124 124 ASN HB3 H 1 2.856 0.001 . 2 . . . . 124 ASN HB2 . 15011 1 1520 . 1 1 124 124 ASN C C 13 177.573 0.2 . 1 . . . . 124 ASN C . 15011 1 1521 . 1 1 124 124 ASN CA C 13 53.908 0.2 . 1 . . . . 124 ASN CA . 15011 1 1522 . 1 1 124 124 ASN CB C 13 40.201 0.2 . 1 . . . . 124 ASN CB . 15011 1 1523 . 1 1 124 124 ASN N N 15 124.028 0.2 . 1 . . . . 124 ASN N . 15011 1 1524 . 1 1 125 125 LEU H H 1 8.26 0.001 . 1 . . . . 125 LEU H . 15011 1 1525 . 1 1 125 125 LEU HA H 1 4.279 0.001 . 1 . . . . 125 LEU HA . 15011 1 1526 . 1 1 125 125 LEU HB2 H 1 1.529 0.001 . 2 . . . . 125 LEU HB1 . 15011 1 1527 . 1 1 125 125 LEU HB3 H 1 1.581 0.001 . 2 . . . . 125 LEU HB2 . 15011 1 1528 . 1 1 125 125 LEU HG H 1 1.553 0.001 . 1 . . . . 125 LEU HG . 15011 1 1529 . 1 1 125 125 LEU HD11 H 1 0.883 0.001 . 1 . . . . 125 LEU HD1 . 15011 1 1530 . 1 1 125 125 LEU HD12 H 1 0.883 0.001 . 1 . . . . 125 LEU HD1 . 15011 1 1531 . 1 1 125 125 LEU HD13 H 1 0.883 0.001 . 1 . . . . 125 LEU HD1 . 15011 1 1532 . 1 1 125 125 LEU HD21 H 1 0.804 0.001 . 1 . . . . 125 LEU HD2 . 15011 1 1533 . 1 1 125 125 LEU HD22 H 1 0.804 0.001 . 1 . . . . 125 LEU HD2 . 15011 1 1534 . 1 1 125 125 LEU HD23 H 1 0.804 0.001 . 1 . . . . 125 LEU HD2 . 15011 1 1535 . 1 1 125 125 LEU C C 13 176.276 0.2 . 1 . . . . 125 LEU C . 15011 1 1536 . 1 1 125 125 LEU CA C 13 53.845 0.2 . 1 . . . . 125 LEU CA . 15011 1 1537 . 1 1 125 125 LEU CB C 13 40.154 0.2 . 1 . . . . 125 LEU CB . 15011 1 1538 . 1 1 125 125 LEU CG C 13 25.193 0.2 . 1 . . . . 125 LEU CG . 15011 1 1539 . 1 1 125 125 LEU CD1 C 13 22.725 0.2 . 2 . . . . 125 LEU CD1 . 15011 1 1540 . 1 1 125 125 LEU N N 15 121.354 0.2 . 1 . . . . 125 LEU N . 15011 1 1541 . 1 1 126 126 GLU H H 1 8.152 0.001 . 1 . . . . 126 GLU H . 15011 1 1542 . 1 1 126 126 GLU HA H 1 4.107 0.001 . 1 . . . . 126 GLU HA . 15011 1 1543 . 1 1 126 126 GLU HB2 H 1 1.841 0.001 . 2 . . . . 126 GLU HB1 . 15011 1 1544 . 1 1 126 126 GLU HG2 H 1 2.132 0.001 . 2 . . . . 126 GLU HG1 . 15011 1 1545 . 1 1 126 126 GLU HG3 H 1 2.091 0.001 . 2 . . . . 126 GLU HG2 . 15011 1 1546 . 1 1 126 126 GLU C C 13 175.198 0.2 . 1 . . . . 126 GLU C . 15011 1 1547 . 1 1 126 126 GLU CA C 13 55.132 0.2 . 1 . . . . 126 GLU CA . 15011 1 1548 . 1 1 126 126 GLU CB C 13 27.749 0.2 . 1 . . . . 126 GLU CB . 15011 1 1549 . 1 1 126 126 GLU CG C 13 33.981 0.2 . 1 . . . . 126 GLU CG . 15011 1 1550 . 1 1 126 126 GLU N N 15 121.004 0.2 . 1 . . . . 126 GLU N . 15011 1 1551 . 1 1 127 127 HIS H H 1 8.147 0.001 . 1 . . . . 127 HIS H . 15011 1 1552 . 1 1 127 127 HIS HA H 1 4.514 0.001 . 1 . . . . 127 HIS HA . 15011 1 1553 . 1 1 127 127 HIS HB2 H 1 2.948 0.001 . 2 . . . . 127 HIS HB1 . 15011 1 1554 . 1 1 127 127 HIS HB3 H 1 2.991 0.001 . 2 . . . . 127 HIS HB2 . 15011 1 1555 . 1 1 127 127 HIS CA C 13 54.343 0.2 . 1 . . . . 127 HIS CA . 15011 1 1556 . 1 1 127 127 HIS CB C 13 27.891 0.2 . 1 . . . . 127 HIS CB . 15011 1 1557 . 1 1 127 127 HIS N N 15 120.21 0.2 . 1 . . . . 127 HIS N . 15011 1 1558 . 1 1 131 131 HIS HA H 1 4.549 0.001 . 1 . . . . 131 HIS HA . 15011 1 1559 . 1 1 131 131 HIS HB2 H 1 3.002 0.001 . 2 . . . . 131 HIS HB1 . 15011 1 1560 . 1 1 131 131 HIS HB3 H 1 3.07 0.001 . 2 . . . . 131 HIS HB2 . 15011 1 1561 . 1 1 131 131 HIS C C 13 174.106 0.2 . 1 . . . . 131 HIS C . 15011 1 1562 . 1 1 131 131 HIS CA C 13 53.91 0.2 . 1 . . . . 131 HIS CA . 15011 1 1563 . 1 1 131 131 HIS CB C 13 28.322 0.2 . 1 . . . . 131 HIS CB . 15011 1 1564 . 1 1 132 132 HIS H H 1 8.024 0.001 . 1 . . . . 132 HIS H . 15011 1 1565 . 1 1 132 132 HIS HA H 1 4.755 0.001 . 1 . . . . 132 HIS HA . 15011 1 1566 . 1 1 132 132 HIS C C 13 179.361 0.2 . 1 . . . . 132 HIS C . 15011 1 1567 . 1 1 132 132 HIS N N 15 126.132 0.2 . 1 . . . . 132 HIS N . 15011 1 stop_ save_