data_4132 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4132 _Entry.Title ; Backbone Resonance Assignments of Human UBC9 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-04-07 _Entry.Accession_date 1998-04-07 _Entry.Last_release_date 1999-05-25 _Entry.Original_release_date 1999-05-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Qin Liu . . . 4132 2 Binghui Shen . . . 4132 3 David Chen . J. . 4132 4 Yuan Chen . . . 4132 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4132 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 586 4132 '13C chemical shifts' 308 4132 '15N chemical shifts' 142 4132 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 . . 1999-05-25 1998-04-07 original author . 4132 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4132 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99169955 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Liu, Q., Shen, B., Chen, D., and Chen, Y., "Backbone Resonance Assignments of Human UBC9," J. Biomol. NMR 13, 89-90 (1999). ; _Citation.Title 'Backbone Resonance Assignments of Human UBC9' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 89 _Citation.Page_last 90 _Citation.Year 1999 _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 Qin Liu . . . 4132 1 2 Binghui Shen . . . 4132 1 3 David Chen . J. . 4132 1 4 Yuan Chen . . . 4132 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID hUBC9 4132 1 'human ubiquitin-conjugating emzyme' 4132 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_hUBC9 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_hUBC9 _Assembly.Entry_ID 4132 _Assembly.ID 1 _Assembly.Name 'human ubiquitin-conjugating enzyme' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18874 _Assembly.Enzyme_commission_number . _Assembly.Details 'With 8 extra residues of MGHHHHHH at N-terminus of hUBC9.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4132 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 hUBC9 1 $hUBC9 . . . native . . . . . 4132 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID hUBC9 abbreviation 4132 1 'human ubiquitin-conjugating enzyme' system 4132 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hUBC9 _Entity.Sf_category entity _Entity.Sf_framecode hUBC9 _Entity.Entry_ID 4132 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'human ubiquitin-conjugating enzyme' _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 ; MGHHHHHHMSGIALSRLAQE RKAWRKDHPFGFVAVPTKNP DGTMNLMNWECAIPGKKGTP WEGGLFKLRMLFKDDYPSSP PKCKFEPPLFHPNVYPSGTV CLSILEEDKDWRPAITIKQI LLGIQELLNEPNIQDPAQAE AYTIYCQNRVEYEKRVRAQA KKFAPS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 166 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18874 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1A3S . "Human Ubc9" . . . . . 95.18 160 100.00 100.00 2.57e-113 . . . . 4132 1 2 no PDB 1KPS . "Structural Basis For E2-Mediated Sumo Conjugation Revealed By A Complex Between Ubiquitin Conjugating Enzyme Ubc9 And Rangap1" . . . . . 95.18 159 100.00 100.00 2.35e-113 . . . . 4132 1 3 no PDB 1U9A . "Human Ubiquitin-Conjugating Enzyme Ubc9" . . . . . 95.78 160 99.37 100.00 2.07e-113 . . . . 4132 1 4 no PDB 1U9B . "MurineHUMAN UBIQUITIN-Conjugating Enzyme Ubc9" . . . . . 95.78 160 99.37 100.00 2.07e-113 . . . . 4132 1 5 no PDB 1Z5S . "Crystal Structure Of A Complex Between Ubc9, Sumo-1, Rangap1 And Nup358RANBP2" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 6 no PDB 2GRN . "Crystal Structure Of Human Rangap1-Ubc9" . . . . . 95.78 161 100.00 100.00 2.54e-114 . . . . 4132 1 7 no PDB 2GRO . "Crystal Structure Of Human Rangap1-Ubc9-N85q" . . . . . 95.78 161 99.37 99.37 1.92e-113 . . . . 4132 1 8 no PDB 2GRP . "Crystal Structure Of Human Rangap1-Ubc9-Y87a" . . . . . 95.78 161 99.37 99.37 4.45e-113 . . . . 4132 1 9 no PDB 2GRQ . "Crystal Structure Of Human Rangap1-Ubc9-D127a" . . . . . 95.78 161 99.37 99.37 2.90e-113 . . . . 4132 1 10 no PDB 2GRR . "Crystal Structure Of Human Rangap1-Ubc9-D127s" . . . . . 95.78 161 99.37 99.37 1.81e-113 . . . . 4132 1 11 no PDB 2O25 . "Ubiquitin-Conjugating Enzyme E2-25 Kda Complexed With Sumo-1- Conjugating Enzyme Ubc9" . . . . . 95.18 160 100.00 100.00 2.57e-113 . . . . 4132 1 12 no PDB 2PE6 . "Non-Covalent Complex Between Human Sumo-1 And Human Ubc9" . . . . . 95.78 161 100.00 100.00 2.54e-114 . . . . 4132 1 13 no PDB 2PX9 . "The Intrinsic Affinity Between E2 And The Cys Domain Of E1 In Ubiquitin-Like Modifications" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 14 no PDB 2UYZ . "Non-Covalent Complex Between Ubc9 And Sumo1" . . . . . 95.18 158 99.37 99.37 3.73e-112 . . . . 4132 1 15 no PDB 2VRR . "Structure Of Sumo Modified Ubc9" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 16 no PDB 2XWU . "Crystal Structure Of Importin 13 - Ubc9 Complex" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 17 no PDB 3A4S . "The Crystal Structure Of The Sld2:ubc9 Complex" . . . . . 95.18 163 100.00 100.00 4.87e-113 . . . . 4132 1 18 no PDB 3UIN . "Complex Between Human Rangap1-sumo2, Ubc9 And The Ir1 Domain From Ranbp2" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 19 no PDB 3UIO . "Complex Between Human Rangap1-sumo2, Ubc9 And The Ir1 Domain From Ranbp2 Containing Ir2 Motif Ii" . . . . . 95.18 158 98.73 98.73 1.67e-110 . . . . 4132 1 20 no PDB 3UIP . "Complex Between Human Rangap1-sumo1, Ubc9 And The Ir1 Domain From Ranbp2 Containing Ir2 Motif Ii" . . . . . 95.18 158 98.73 98.73 1.67e-110 . . . . 4132 1 21 no PDB 4W5V . "Crystal Structure Of Human Sumo E2-conjugating Enzyme (ubc9) In Complex With E1-activating Enzyme (uba2) Ubiquitin Fold Domain " . . . . . 95.18 163 100.00 100.00 4.87e-113 . . . . 4132 1 22 no PDB 4Y1L . "Ubc9 Homodimer The Missing Link In Poly-sumo Chain Formation" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 23 no PDB 5D2M . "Complex Between Human Sumo2-rangap1, Ubc9 And Znf451" . . . . . 95.78 161 99.37 100.00 6.15e-114 . . . . 4132 1 24 no DBJ BAA08091 . "ubiquitin conjugating enzyme [Homo sapiens]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 25 no DBJ BAB22599 . "unnamed protein product [Mus musculus]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 26 no DBJ BAB23783 . "unnamed protein product [Mus musculus]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 27 no DBJ BAB27487 . "unnamed protein product [Mus musculus]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 28 no DBJ BAB28140 . "unnamed protein product [Mus musculus]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 29 no EMBL CAA05359 . "ubiquitin-conjugating enzyme, UBC9 [Homo sapiens]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 30 no EMBL CAA65287 . "ubiquitin conjugating enzyme [Homo sapiens]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 31 no EMBL CAA66188 . "ubiquitin-conjugating enzyme [Mus musculus]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 32 no EMBL CAA68072 . "ubiquitin conjugating enzyme [Mus musculus]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 33 no EMBL CAJ81434 . "ubiquitin-conjugating enzyme E2I (UBC9 homolog, yeast) [Xenopus (Silurana) tropicalis]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 34 no GB AAA86662 . "ubiquitin-conjugating enzyme [Homo sapiens]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 35 no GB AAB02181 . "ubiquitin conjugating enzyme homolog [Homo sapiens]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 36 no GB AAB02182 . "ubiquitin conjugating enzyme homolog [Mus musculus]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 37 no GB AAB09410 . "RAD6 homolog; May be involved in ubiquitin conjugation; Interacts with RAD52 and RAD51 proteins; Method: conceptual translation" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 38 no GB AAB18790 . "ubiquitin conjugating enzyme mUBC9 [Mus musculus]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 39 no REF NP_001016408 . "SUMO-conjugating enzyme UBC9 [Xenopus (Silurana) tropicalis]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 40 no REF NP_001080758 . "SUMO-conjugating enzyme UBC9 [Xenopus laevis]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 41 no REF NP_001092842 . "SUMO-conjugating enzyme UBC9 [Bos taurus]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 42 no REF NP_001171080 . "SUMO-conjugating enzyme UBC9 [Mus musculus]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 43 no REF NP_001171081 . "SUMO-conjugating enzyme UBC9 [Mus musculus]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 44 no SP P63279 . "RecName: Full=SUMO-conjugating enzyme UBC9; AltName: Full=SUMO-protein ligase; AltName: Full=Ubiquitin carrier protein 9; AltNa" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 45 no SP P63280 . "RecName: Full=SUMO-conjugating enzyme UBC9; AltName: Full=SUMO-protein ligase; AltName: Full=Ubiquitin carrier protein 9; Short" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 46 no SP P63281 . "RecName: Full=SUMO-conjugating enzyme UBC9; AltName: Full=SUMO-protein ligase; AltName: Full=Ubiquitin carrier protein 9; AltNa" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 47 no SP P63282 . "RecName: Full=SUMO-conjugating enzyme UBC9; AltName: Full=SUMO-protein ligase; AltName: Full=Ubiquitin carrier protein 9; AltNa" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 48 no SP P63283 . "RecName: Full=SUMO-conjugating enzyme UBC9; AltName: Full=SUMO-protein ligase; AltName: Full=Ubiquitin carrier protein 9; AltNa" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 49 no TPG DAA15584 . "TPA: SUMO-conjugating enzyme UBC9 [Bos taurus]" . . . . . 95.18 158 100.00 100.00 2.74e-113 . . . . 4132 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID hUBC9 abbreviation 4132 1 'human ubiquitin-conjugating enzyme' common 4132 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 -7 MET . 4132 1 2 -6 GLY . 4132 1 3 -5 HIS . 4132 1 4 -4 HIS . 4132 1 5 -3 HIS . 4132 1 6 -2 HIS . 4132 1 7 -1 HIS . 4132 1 8 0 HIS . 4132 1 9 1 MET . 4132 1 10 2 SER . 4132 1 11 3 GLY . 4132 1 12 4 ILE . 4132 1 13 5 ALA . 4132 1 14 6 LEU . 4132 1 15 7 SER . 4132 1 16 8 ARG . 4132 1 17 9 LEU . 4132 1 18 10 ALA . 4132 1 19 11 GLN . 4132 1 20 12 GLU . 4132 1 21 13 ARG . 4132 1 22 14 LYS . 4132 1 23 15 ALA . 4132 1 24 16 TRP . 4132 1 25 17 ARG . 4132 1 26 18 LYS . 4132 1 27 19 ASP . 4132 1 28 20 HIS . 4132 1 29 21 PRO . 4132 1 30 22 PHE . 4132 1 31 23 GLY . 4132 1 32 24 PHE . 4132 1 33 25 VAL . 4132 1 34 26 ALA . 4132 1 35 27 VAL . 4132 1 36 28 PRO . 4132 1 37 29 THR . 4132 1 38 30 LYS . 4132 1 39 31 ASN . 4132 1 40 32 PRO . 4132 1 41 33 ASP . 4132 1 42 34 GLY . 4132 1 43 35 THR . 4132 1 44 36 MET . 4132 1 45 37 ASN . 4132 1 46 38 LEU . 4132 1 47 39 MET . 4132 1 48 40 ASN . 4132 1 49 41 TRP . 4132 1 50 42 GLU . 4132 1 51 43 CYS . 4132 1 52 44 ALA . 4132 1 53 45 ILE . 4132 1 54 46 PRO . 4132 1 55 47 GLY . 4132 1 56 48 LYS . 4132 1 57 49 LYS . 4132 1 58 50 GLY . 4132 1 59 51 THR . 4132 1 60 52 PRO . 4132 1 61 53 TRP . 4132 1 62 54 GLU . 4132 1 63 55 GLY . 4132 1 64 56 GLY . 4132 1 65 57 LEU . 4132 1 66 58 PHE . 4132 1 67 59 LYS . 4132 1 68 60 LEU . 4132 1 69 61 ARG . 4132 1 70 62 MET . 4132 1 71 63 LEU . 4132 1 72 64 PHE . 4132 1 73 65 LYS . 4132 1 74 66 ASP . 4132 1 75 67 ASP . 4132 1 76 68 TYR . 4132 1 77 69 PRO . 4132 1 78 70 SER . 4132 1 79 71 SER . 4132 1 80 72 PRO . 4132 1 81 73 PRO . 4132 1 82 74 LYS . 4132 1 83 75 CYS . 4132 1 84 76 LYS . 4132 1 85 77 PHE . 4132 1 86 78 GLU . 4132 1 87 79 PRO . 4132 1 88 80 PRO . 4132 1 89 81 LEU . 4132 1 90 82 PHE . 4132 1 91 83 HIS . 4132 1 92 84 PRO . 4132 1 93 85 ASN . 4132 1 94 86 VAL . 4132 1 95 87 TYR . 4132 1 96 88 PRO . 4132 1 97 89 SER . 4132 1 98 90 GLY . 4132 1 99 91 THR . 4132 1 100 92 VAL . 4132 1 101 93 CYS . 4132 1 102 94 LEU . 4132 1 103 95 SER . 4132 1 104 96 ILE . 4132 1 105 97 LEU . 4132 1 106 98 GLU . 4132 1 107 99 GLU . 4132 1 108 100 ASP . 4132 1 109 101 LYS . 4132 1 110 102 ASP . 4132 1 111 103 TRP . 4132 1 112 104 ARG . 4132 1 113 105 PRO . 4132 1 114 106 ALA . 4132 1 115 107 ILE . 4132 1 116 108 THR . 4132 1 117 109 ILE . 4132 1 118 110 LYS . 4132 1 119 111 GLN . 4132 1 120 112 ILE . 4132 1 121 113 LEU . 4132 1 122 114 LEU . 4132 1 123 115 GLY . 4132 1 124 116 ILE . 4132 1 125 117 GLN . 4132 1 126 118 GLU . 4132 1 127 119 LEU . 4132 1 128 120 LEU . 4132 1 129 121 ASN . 4132 1 130 122 GLU . 4132 1 131 123 PRO . 4132 1 132 124 ASN . 4132 1 133 125 ILE . 4132 1 134 126 GLN . 4132 1 135 127 ASP . 4132 1 136 128 PRO . 4132 1 137 129 ALA . 4132 1 138 130 GLN . 4132 1 139 131 ALA . 4132 1 140 132 GLU . 4132 1 141 133 ALA . 4132 1 142 134 TYR . 4132 1 143 135 THR . 4132 1 144 136 ILE . 4132 1 145 137 TYR . 4132 1 146 138 CYS . 4132 1 147 139 GLN . 4132 1 148 140 ASN . 4132 1 149 141 ARG . 4132 1 150 142 VAL . 4132 1 151 143 GLU . 4132 1 152 144 TYR . 4132 1 153 145 GLU . 4132 1 154 146 LYS . 4132 1 155 147 ARG . 4132 1 156 148 VAL . 4132 1 157 149 ARG . 4132 1 158 150 ALA . 4132 1 159 151 GLN . 4132 1 160 152 ALA . 4132 1 161 153 LYS . 4132 1 162 154 LYS . 4132 1 163 155 PHE . 4132 1 164 156 ALA . 4132 1 165 157 PRO . 4132 1 166 158 SER . 4132 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 4132 1 . GLY 2 2 4132 1 . HIS 3 3 4132 1 . HIS 4 4 4132 1 . HIS 5 5 4132 1 . HIS 6 6 4132 1 . HIS 7 7 4132 1 . HIS 8 8 4132 1 . MET 9 9 4132 1 . SER 10 10 4132 1 . GLY 11 11 4132 1 . ILE 12 12 4132 1 . ALA 13 13 4132 1 . LEU 14 14 4132 1 . SER 15 15 4132 1 . ARG 16 16 4132 1 . LEU 17 17 4132 1 . ALA 18 18 4132 1 . GLN 19 19 4132 1 . GLU 20 20 4132 1 . ARG 21 21 4132 1 . LYS 22 22 4132 1 . ALA 23 23 4132 1 . TRP 24 24 4132 1 . ARG 25 25 4132 1 . LYS 26 26 4132 1 . ASP 27 27 4132 1 . HIS 28 28 4132 1 . PRO 29 29 4132 1 . PHE 30 30 4132 1 . GLY 31 31 4132 1 . PHE 32 32 4132 1 . VAL 33 33 4132 1 . ALA 34 34 4132 1 . VAL 35 35 4132 1 . PRO 36 36 4132 1 . THR 37 37 4132 1 . LYS 38 38 4132 1 . ASN 39 39 4132 1 . PRO 40 40 4132 1 . ASP 41 41 4132 1 . GLY 42 42 4132 1 . THR 43 43 4132 1 . MET 44 44 4132 1 . ASN 45 45 4132 1 . LEU 46 46 4132 1 . MET 47 47 4132 1 . ASN 48 48 4132 1 . TRP 49 49 4132 1 . GLU 50 50 4132 1 . CYS 51 51 4132 1 . ALA 52 52 4132 1 . ILE 53 53 4132 1 . PRO 54 54 4132 1 . GLY 55 55 4132 1 . LYS 56 56 4132 1 . LYS 57 57 4132 1 . GLY 58 58 4132 1 . THR 59 59 4132 1 . PRO 60 60 4132 1 . TRP 61 61 4132 1 . GLU 62 62 4132 1 . GLY 63 63 4132 1 . GLY 64 64 4132 1 . LEU 65 65 4132 1 . PHE 66 66 4132 1 . LYS 67 67 4132 1 . LEU 68 68 4132 1 . ARG 69 69 4132 1 . MET 70 70 4132 1 . LEU 71 71 4132 1 . PHE 72 72 4132 1 . LYS 73 73 4132 1 . ASP 74 74 4132 1 . ASP 75 75 4132 1 . TYR 76 76 4132 1 . PRO 77 77 4132 1 . SER 78 78 4132 1 . SER 79 79 4132 1 . PRO 80 80 4132 1 . PRO 81 81 4132 1 . LYS 82 82 4132 1 . CYS 83 83 4132 1 . LYS 84 84 4132 1 . PHE 85 85 4132 1 . GLU 86 86 4132 1 . PRO 87 87 4132 1 . PRO 88 88 4132 1 . LEU 89 89 4132 1 . PHE 90 90 4132 1 . HIS 91 91 4132 1 . PRO 92 92 4132 1 . ASN 93 93 4132 1 . VAL 94 94 4132 1 . TYR 95 95 4132 1 . PRO 96 96 4132 1 . SER 97 97 4132 1 . GLY 98 98 4132 1 . THR 99 99 4132 1 . VAL 100 100 4132 1 . CYS 101 101 4132 1 . LEU 102 102 4132 1 . SER 103 103 4132 1 . ILE 104 104 4132 1 . LEU 105 105 4132 1 . GLU 106 106 4132 1 . GLU 107 107 4132 1 . ASP 108 108 4132 1 . LYS 109 109 4132 1 . ASP 110 110 4132 1 . TRP 111 111 4132 1 . ARG 112 112 4132 1 . PRO 113 113 4132 1 . ALA 114 114 4132 1 . ILE 115 115 4132 1 . THR 116 116 4132 1 . ILE 117 117 4132 1 . LYS 118 118 4132 1 . GLN 119 119 4132 1 . ILE 120 120 4132 1 . LEU 121 121 4132 1 . LEU 122 122 4132 1 . GLY 123 123 4132 1 . ILE 124 124 4132 1 . GLN 125 125 4132 1 . GLU 126 126 4132 1 . LEU 127 127 4132 1 . LEU 128 128 4132 1 . ASN 129 129 4132 1 . GLU 130 130 4132 1 . PRO 131 131 4132 1 . ASN 132 132 4132 1 . ILE 133 133 4132 1 . GLN 134 134 4132 1 . ASP 135 135 4132 1 . PRO 136 136 4132 1 . ALA 137 137 4132 1 . GLN 138 138 4132 1 . ALA 139 139 4132 1 . GLU 140 140 4132 1 . ALA 141 141 4132 1 . TYR 142 142 4132 1 . THR 143 143 4132 1 . ILE 144 144 4132 1 . TYR 145 145 4132 1 . CYS 146 146 4132 1 . GLN 147 147 4132 1 . ASN 148 148 4132 1 . ARG 149 149 4132 1 . VAL 150 150 4132 1 . GLU 151 151 4132 1 . TYR 152 152 4132 1 . GLU 153 153 4132 1 . LYS 154 154 4132 1 . ARG 155 155 4132 1 . VAL 156 156 4132 1 . ARG 157 157 4132 1 . ALA 158 158 4132 1 . GLN 159 159 4132 1 . ALA 160 160 4132 1 . LYS 161 161 4132 1 . LYS 162 162 4132 1 . PHE 163 163 4132 1 . ALA 164 164 4132 1 . PRO 165 165 4132 1 . SER 166 166 4132 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 4132 _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 $hUBC9 . . . . 'homo sapien' human . . eucaryote Animalia homo sapien . . . . . . . . . . . . . . . . . . . . . 4132 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 4132 _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 $hUBC9 . 'recombinant technology' 'Escherichia coli' E.coli . . Escherichia coli . . . . . . . . . . . . . plasmid . . pET28 . . . . . . 4132 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4132 _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 'human ubiquitin-conjugating enzyme' [U-15N] . . 1 $hUBC9 . . 0.7 . . mM . . . . 4132 1 2 'sodium phosphate' . . . . . . . 100 . . mM . . . . 4132 1 3 H2O . . . . . . . 90 . . % . . . . 4132 1 4 D2O . . . . . . . 10 . . % . . . . 4132 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4132 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human ubiquitin-conjugating enzyme' '[U-13C; U-15N]' . . 1 $hUBC9 . . 0.7 . . mM . . . . 4132 2 2 'sodium phosphate' . . . . . . . 100 . . mM . . . . 4132 2 3 H2O . . . . . . . 90 . . % . . . . 4132 2 4 D2O . . . . . . . 10 . . % . . . . 4132 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4132 _Sample.ID 3 _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 'human ubiquitin-conjugating enzyme' '[U-13C; U-15N; U-70% 2H]' . . 1 $hUBC9 . . 0.7 . . mM . . . . 4132 3 2 'sodium phosphate' . . . . . . . 100 . . mM . . . . 4132 3 3 H2O . . . . . . . 90 . . % . . . . 4132 3 4 D2O . . . . . . . 10 . . % . . . . 4132 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4132 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . n/a 4132 1 temperature 303 0.1 K 4132 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4132 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 4132 _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 unknown unknown . 0 'spectrometer information not available' . . 4132 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 4132 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4132 _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' . . . . . . . indirect 0.251449519 . . . . . . . . . 4132 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 4132 1 N 15 DSS 'methyl protons' . . . . . . . indirect 0.101329118 . . . . . . . . . 4132 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_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4132 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 $sample_one . 4132 1 . . 2 $sample_two . 4132 1 . . 3 $sample_three . 4132 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 9 9 MET H H 1 8.57 0.02 . 1 . . . . . . . . 4132 1 2 . 1 1 9 9 MET HA H 1 4.57 0.05 . 1 . . . . . . . . 4132 1 3 . 1 1 9 9 MET HB2 H 1 2.1 0.05 . 2 . . . . . . . . 4132 1 4 . 1 1 9 9 MET HG2 H 1 2.6 0.05 . 2 . . . . . . . . 4132 1 5 . 1 1 9 9 MET CA C 13 56.3 0.5 . 1 . . . . . . . . 4132 1 6 . 1 1 9 9 MET CB C 13 33.6 0.5 . 1 . . . . . . . . 4132 1 7 . 1 1 9 9 MET N N 15 121.5 0.7 . 1 . . . . . . . . 4132 1 8 . 1 1 10 10 SER H H 1 8.54 0.02 . 1 . . . . . . . . 4132 1 9 . 1 1 10 10 SER HA H 1 4.56 0.05 . 1 . . . . . . . . 4132 1 10 . 1 1 10 10 SER HB2 H 1 4.01 0.05 . 2 . . . . . . . . 4132 1 11 . 1 1 10 10 SER CA C 13 59.8 0.5 . 1 . . . . . . . . 4132 1 12 . 1 1 10 10 SER CB C 13 64.0 0.5 . 1 . . . . . . . . 4132 1 13 . 1 1 10 10 SER N N 15 116.6 0.7 . 1 . . . . . . . . 4132 1 14 . 1 1 11 11 GLY H H 1 8.59 0.02 . 1 . . . . . . . . 4132 1 15 . 1 1 11 11 GLY HA2 H 1 4.08 0.05 . 2 . . . . . . . . 4132 1 16 . 1 1 11 11 GLY CA C 13 47.2 0.5 . 1 . . . . . . . . 4132 1 17 . 1 1 11 11 GLY N N 15 110.6 0.7 . 1 . . . . . . . . 4132 1 18 . 1 1 12 12 ILE H H 1 8.02 0.02 . 1 . . . . . . . . 4132 1 19 . 1 1 12 12 ILE HA H 1 4.14 0.05 . 1 . . . . . . . . 4132 1 20 . 1 1 12 12 ILE HB H 1 2.14 0.05 . 1 . . . . . . . . 4132 1 21 . 1 1 12 12 ILE HG12 H 1 1.00 0.05 . 2 . . . . . . . . 4132 1 22 . 1 1 12 12 ILE CA C 13 64.2 0.5 . 1 . . . . . . . . 4132 1 23 . 1 1 12 12 ILE CB C 13 38.6 0.5 . 1 . . . . . . . . 4132 1 24 . 1 1 12 12 ILE N N 15 120.6 0.7 . 1 . . . . . . . . 4132 1 25 . 1 1 13 13 ALA H H 1 8.10 0.02 . 1 . . . . . . . . 4132 1 26 . 1 1 13 13 ALA HA H 1 4.22 0.05 . 1 . . . . . . . . 4132 1 27 . 1 1 13 13 ALA HB1 H 1 1.74 0.05 . 1 . . . . . . . . 4132 1 28 . 1 1 13 13 ALA HB2 H 1 1.74 0.05 . 1 . . . . . . . . 4132 1 29 . 1 1 13 13 ALA HB3 H 1 1.74 0.05 . 1 . . . . . . . . 4132 1 30 . 1 1 13 13 ALA CA C 13 57.3 0.5 . 1 . . . . . . . . 4132 1 31 . 1 1 13 13 ALA CB C 13 19.8 0.5 . 1 . . . . . . . . 4132 1 32 . 1 1 13 13 ALA N N 15 124.6 0.7 . 1 . . . . . . . . 4132 1 33 . 1 1 14 14 LEU H H 1 8.33 0.02 . 1 . . . . . . . . 4132 1 34 . 1 1 14 14 LEU HA H 1 4.05 0.05 . 1 . . . . . . . . 4132 1 35 . 1 1 14 14 LEU HD11 H 1 0.94 0.05 . 2 . . . . . . . . 4132 1 36 . 1 1 14 14 LEU HD12 H 1 0.94 0.05 . 2 . . . . . . . . 4132 1 37 . 1 1 14 14 LEU HD13 H 1 0.94 0.05 . 2 . . . . . . . . 4132 1 38 . 1 1 14 14 LEU CA C 13 58.8 0.5 . 1 . . . . . . . . 4132 1 39 . 1 1 14 14 LEU CB C 13 42.1 0.5 . 1 . . . . . . . . 4132 1 40 . 1 1 14 14 LEU N N 15 115.1 0.7 . 1 . . . . . . . . 4132 1 41 . 1 1 15 15 SER H H 1 8.06 0.02 . 1 . . . . . . . . 4132 1 42 . 1 1 15 15 SER HA H 1 4.32 0.05 . 1 . . . . . . . . 4132 1 43 . 1 1 15 15 SER HB2 H 1 4.01 0.05 . 2 . . . . . . . . 4132 1 44 . 1 1 15 15 SER CA C 13 62.2 0.5 . 1 . . . . . . . . 4132 1 45 . 1 1 15 15 SER N N 15 115.3 0.7 . 1 . . . . . . . . 4132 1 46 . 1 1 16 16 ARG H H 1 8.14 0.02 . 1 . . . . . . . . 4132 1 47 . 1 1 16 16 ARG HA H 1 4.38 0.05 . 1 . . . . . . . . 4132 1 48 . 1 1 16 16 ARG CA C 13 58.5 0.5 . 1 . . . . . . . . 4132 1 49 . 1 1 16 16 ARG N N 15 123.3 0.7 . 1 . . . . . . . . 4132 1 50 . 1 1 17 17 LEU H H 1 9.09 0.02 . 1 . . . . . . . . 4132 1 51 . 1 1 17 17 LEU HA H 1 4.23 0.05 . 1 . . . . . . . . 4132 1 52 . 1 1 17 17 LEU HD11 H 1 0.79 0.05 . 2 . . . . . . . . 4132 1 53 . 1 1 17 17 LEU HD12 H 1 0.79 0.05 . 2 . . . . . . . . 4132 1 54 . 1 1 17 17 LEU HD13 H 1 0.79 0.05 . 2 . . . . . . . . 4132 1 55 . 1 1 17 17 LEU CA C 13 59.4 0.5 . 1 . . . . . . . . 4132 1 56 . 1 1 17 17 LEU N N 15 121.6 0.7 . 1 . . . . . . . . 4132 1 57 . 1 1 18 18 ALA H H 1 8.33 0.02 . 1 . . . . . . . . 4132 1 58 . 1 1 18 18 ALA HA H 1 4.27 0.05 . 1 . . . . . . . . 4132 1 59 . 1 1 18 18 ALA HB1 H 1 1.66 0.05 . 1 . . . . . . . . 4132 1 60 . 1 1 18 18 ALA HB2 H 1 1.66 0.05 . 1 . . . . . . . . 4132 1 61 . 1 1 18 18 ALA HB3 H 1 1.66 0.05 . 1 . . . . . . . . 4132 1 62 . 1 1 18 18 ALA CA C 13 55.8 0.5 . 1 . . . . . . . . 4132 1 63 . 1 1 18 18 ALA CB C 13 18.9 0.5 . 1 . . . . . . . . 4132 1 64 . 1 1 18 18 ALA N N 15 121.8 0.7 . 1 . . . . . . . . 4132 1 65 . 1 1 19 19 GLN H H 1 7.81 0.02 . 1 . . . . . . . . 4132 1 66 . 1 1 19 19 GLN HA H 1 4.24 0.05 . 1 . . . . . . . . 4132 1 67 . 1 1 19 19 GLN HB2 H 1 2.46 0.05 . 2 . . . . . . . . 4132 1 68 . 1 1 19 19 GLN CA C 13 60.0 0.5 . 1 . . . . . . . . 4132 1 69 . 1 1 19 19 GLN CB C 13 29.0 0.5 . 1 . . . . . . . . 4132 1 70 . 1 1 19 19 GLN N N 15 119.9 0.7 . 1 . . . . . . . . 4132 1 71 . 1 1 20 20 GLU H H 1 9.11 0.02 . 1 . . . . . . . . 4132 1 72 . 1 1 20 20 GLU HA H 1 4.20 0.05 . 1 . . . . . . . . 4132 1 73 . 1 1 20 20 GLU HB2 H 1 1.77 0.05 . 2 . . . . . . . . 4132 1 74 . 1 1 20 20 GLU CA C 13 60.3 0.5 . 1 . . . . . . . . 4132 1 75 . 1 1 20 20 GLU CB C 13 30.1 0.5 . 1 . . . . . . . . 4132 1 76 . 1 1 20 20 GLU N N 15 121.5 0.7 . 1 . . . . . . . . 4132 1 77 . 1 1 21 21 ARG H H 1 8.72 0.02 . 1 . . . . . . . . 4132 1 78 . 1 1 21 21 ARG HA H 1 4.33 0.05 . 1 . . . . . . . . 4132 1 79 . 1 1 21 21 ARG HB2 H 1 2.42 0.05 . 2 . . . . . . . . 4132 1 80 . 1 1 21 21 ARG HG2 H 1 2.10 0.05 . 2 . . . . . . . . 4132 1 81 . 1 1 21 21 ARG HD2 H 1 3.29 0.05 . 2 . . . . . . . . 4132 1 82 . 1 1 21 21 ARG CA C 13 60.8 0.5 . 1 . . . . . . . . 4132 1 83 . 1 1 21 21 ARG N N 15 120.2 0.7 . 1 . . . . . . . . 4132 1 84 . 1 1 22 22 LYS H H 1 7.95 0.02 . 1 . . . . . . . . 4132 1 85 . 1 1 22 22 LYS HA H 1 4.13 0.05 . 1 . . . . . . . . 4132 1 86 . 1 1 22 22 LYS HB2 H 1 2.07 0.05 . 2 . . . . . . . . 4132 1 87 . 1 1 22 22 LYS HG2 H 1 1.51 0.05 . 2 . . . . . . . . 4132 1 88 . 1 1 22 22 LYS HD2 H 1 1.71 0.05 . 2 . . . . . . . . 4132 1 89 . 1 1 22 22 LYS HD3 H 1 1.77 0.05 . 2 . . . . . . . . 4132 1 90 . 1 1 22 22 LYS HE2 H 1 3.03 0.05 . 2 . . . . . . . . 4132 1 91 . 1 1 22 22 LYS CA C 13 61.0 0.5 . 1 . . . . . . . . 4132 1 92 . 1 1 22 22 LYS CB C 13 33.2 0.5 . 1 . . . . . . . . 4132 1 93 . 1 1 22 22 LYS N N 15 119.7 0.7 . 1 . . . . . . . . 4132 1 94 . 1 1 23 23 ALA H H 1 8.51 0.02 . 1 . . . . . . . . 4132 1 95 . 1 1 23 23 ALA HA H 1 4.25 0.05 . 1 . . . . . . . . 4132 1 96 . 1 1 23 23 ALA HB1 H 1 1.74 0.05 . 1 . . . . . . . . 4132 1 97 . 1 1 23 23 ALA HB2 H 1 1.74 0.05 . 1 . . . . . . . . 4132 1 98 . 1 1 23 23 ALA HB3 H 1 1.74 0.05 . 1 . . . . . . . . 4132 1 99 . 1 1 23 23 ALA CA C 13 55.7 0.5 . 1 . . . . . . . . 4132 1 100 . 1 1 23 23 ALA CB C 13 19.2 0.5 . 1 . . . . . . . . 4132 1 101 . 1 1 23 23 ALA N N 15 121.5 0.7 . 1 . . . . . . . . 4132 1 102 . 1 1 24 24 TRP H H 1 8.76 0.02 . 1 . . . . . . . . 4132 1 103 . 1 1 24 24 TRP HA H 1 4.28 0.05 . 1 . . . . . . . . 4132 1 104 . 1 1 24 24 TRP HB2 H 1 3.04 0.05 . 2 . . . . . . . . 4132 1 105 . 1 1 24 24 TRP HB3 H 1 3.29 0.05 . 2 . . . . . . . . 4132 1 106 . 1 1 24 24 TRP CA C 13 61.1 0.5 . 1 . . . . . . . . 4132 1 107 . 1 1 24 24 TRP CB C 13 29.7 0.5 . 1 . . . . . . . . 4132 1 108 . 1 1 24 24 TRP N N 15 119.3 0.7 . 1 . . . . . . . . 4132 1 109 . 1 1 25 25 ARG H H 1 8.17 0.02 . 1 . . . . . . . . 4132 1 110 . 1 1 25 25 ARG HA H 1 4.11 0.05 . 1 . . . . . . . . 4132 1 111 . 1 1 25 25 ARG HB2 H 1 2.09 0.05 . 2 . . . . . . . . 4132 1 112 . 1 1 25 25 ARG HG3 H 1 1.85 0.05 . 2 . . . . . . . . 4132 1 113 . 1 1 25 25 ARG HD2 H 1 3.36 0.05 . 2 . . . . . . . . 4132 1 114 . 1 1 25 25 ARG CA C 13 59.8 0.5 . 1 . . . . . . . . 4132 1 115 . 1 1 25 25 ARG CB C 13 39.1 0.5 . 1 . . . . . . . . 4132 1 116 . 1 1 25 25 ARG N N 15 116.6 0.7 . 1 . . . . . . . . 4132 1 117 . 1 1 26 26 LYS H H 1 7.42 0.02 . 1 . . . . . . . . 4132 1 118 . 1 1 26 26 LYS HA H 1 4.18 0.05 . 1 . . . . . . . . 4132 1 119 . 1 1 26 26 LYS HB2 H 1 1.95 0.05 . 2 . . . . . . . . 4132 1 120 . 1 1 26 26 LYS HB3 H 1 1.57 0.05 . 2 . . . . . . . . 4132 1 121 . 1 1 26 26 LYS HG2 H 1 1.42 0.05 . 2 . . . . . . . . 4132 1 122 . 1 1 26 26 LYS HE2 H 1 3.01 0.05 . 2 . . . . . . . . 4132 1 123 . 1 1 26 26 LYS CA C 13 58.7 0.5 . 1 . . . . . . . . 4132 1 124 . 1 1 26 26 LYS CB C 13 33.9 0.5 . 1 . . . . . . . . 4132 1 125 . 1 1 26 26 LYS N N 15 117.1 0.7 . 1 . . . . . . . . 4132 1 126 . 1 1 27 27 ASP H H 1 7.77 0.02 . 1 . . . . . . . . 4132 1 127 . 1 1 27 27 ASP HA H 1 4.53 0.05 . 1 . . . . . . . . 4132 1 128 . 1 1 27 27 ASP HB2 H 1 2.56 0.05 . 2 . . . . . . . . 4132 1 129 . 1 1 27 27 ASP CA C 13 54.8 0.5 . 1 . . . . . . . . 4132 1 130 . 1 1 27 27 ASP CB C 13 43.1 0.5 . 1 . . . . . . . . 4132 1 131 . 1 1 27 27 ASP N N 15 117.5 0.7 . 1 . . . . . . . . 4132 1 132 . 1 1 28 28 HIS H H 1 7.63 0.02 . 1 . . . . . . . . 4132 1 133 . 1 1 28 28 HIS HA H 1 4.29 0.05 . 1 . . . . . . . . 4132 1 134 . 1 1 28 28 HIS HB2 H 1 2.99 0.05 . 2 . . . . . . . . 4132 1 135 . 1 1 28 28 HIS CA C 13 53.5 0.5 . 1 . . . . . . . . 4132 1 136 . 1 1 28 28 HIS CB C 13 26.3 0.5 . 1 . . . . . . . . 4132 1 137 . 1 1 28 28 HIS N N 15 117.1 0.7 . 1 . . . . . . . . 4132 1 138 . 1 1 29 29 PRO HA H 1 4.39 0.05 . 1 . . . . . . . . 4132 1 139 . 1 1 29 29 PRO HB2 H 1 2.21 0.05 . 2 . . . . . . . . 4132 1 140 . 1 1 29 29 PRO CA C 13 62.5 0.5 . 1 . . . . . . . . 4132 1 141 . 1 1 29 29 PRO CB C 13 31.5 0.5 . 1 . . . . . . . . 4132 1 142 . 1 1 30 30 PHE H H 1 8.74 0.02 . 1 . . . . . . . . 4132 1 143 . 1 1 30 30 PHE HA H 1 4.39 0.05 . 1 . . . . . . . . 4132 1 144 . 1 1 30 30 PHE HB2 H 1 3.72 0.05 . 2 . . . . . . . . 4132 1 145 . 1 1 30 30 PHE CA C 13 61.0 0.5 . 1 . . . . . . . . 4132 1 146 . 1 1 30 30 PHE CB C 13 39.8 0.5 . 1 . . . . . . . . 4132 1 147 . 1 1 30 30 PHE N N 15 124.2 0.7 . 1 . . . . . . . . 4132 1 148 . 1 1 31 31 GLY H H 1 8.60 0.02 . 1 . . . . . . . . 4132 1 149 . 1 1 31 31 GLY HA2 H 1 4.38 0.05 . 2 . . . . . . . . 4132 1 150 . 1 1 31 31 GLY HA3 H 1 3.61 0.05 . 2 . . . . . . . . 4132 1 151 . 1 1 31 31 GLY CA C 13 45.6 0.5 . 1 . . . . . . . . 4132 1 152 . 1 1 31 31 GLY N N 15 115.5 0.7 . 1 . . . . . . . . 4132 1 153 . 1 1 32 32 PHE H H 1 7.79 0.02 . 1 . . . . . . . . 4132 1 154 . 1 1 32 32 PHE HA H 1 5.02 0.05 . 1 . . . . . . . . 4132 1 155 . 1 1 32 32 PHE HB2 H 1 3.20 0.05 . 2 . . . . . . . . 4132 1 156 . 1 1 32 32 PHE CA C 13 58.2 0.5 . 1 . . . . . . . . 4132 1 157 . 1 1 32 32 PHE CB C 13 42.8 0.5 . 1 . . . . . . . . 4132 1 158 . 1 1 32 32 PHE N N 15 117.5 0.7 . 1 . . . . . . . . 4132 1 159 . 1 1 33 33 VAL H H 1 8.66 0.02 . 1 . . . . . . . . 4132 1 160 . 1 1 33 33 VAL HA H 1 4.57 0.05 . 1 . . . . . . . . 4132 1 161 . 1 1 33 33 VAL HB H 1 1.93 0.05 . 1 . . . . . . . . 4132 1 162 . 1 1 33 33 VAL HG11 H 1 1.03 0.05 . 2 . . . . . . . . 4132 1 163 . 1 1 33 33 VAL HG12 H 1 1.03 0.05 . 2 . . . . . . . . 4132 1 164 . 1 1 33 33 VAL HG13 H 1 1.03 0.05 . 2 . . . . . . . . 4132 1 165 . 1 1 33 33 VAL HG21 H 1 0.94 0.05 . 2 . . . . . . . . 4132 1 166 . 1 1 33 33 VAL HG22 H 1 0.94 0.05 . 2 . . . . . . . . 4132 1 167 . 1 1 33 33 VAL HG23 H 1 0.94 0.05 . 2 . . . . . . . . 4132 1 168 . 1 1 33 33 VAL CA C 13 61.9 0.5 . 1 . . . . . . . . 4132 1 169 . 1 1 33 33 VAL CB C 13 36.0 0.5 . 1 . . . . . . . . 4132 1 170 . 1 1 33 33 VAL N N 15 120.6 0.7 . 1 . . . . . . . . 4132 1 171 . 1 1 34 34 ALA H H 1 8.23 0.02 . 1 . . . . . . . . 4132 1 172 . 1 1 34 34 ALA HA H 1 4.82 0.05 . 1 . . . . . . . . 4132 1 173 . 1 1 34 34 ALA HB1 H 1 0.19 0.05 . 1 . . . . . . . . 4132 1 174 . 1 1 34 34 ALA HB2 H 1 0.19 0.05 . 1 . . . . . . . . 4132 1 175 . 1 1 34 34 ALA HB3 H 1 0.19 0.05 . 1 . . . . . . . . 4132 1 176 . 1 1 34 34 ALA CA C 13 54.1 0.5 . 1 . . . . . . . . 4132 1 177 . 1 1 34 34 ALA CB C 13 18.6 0.5 . 1 . . . . . . . . 4132 1 178 . 1 1 34 34 ALA N N 15 127.5 0.7 . 1 . . . . . . . . 4132 1 179 . 1 1 35 35 VAL H H 1 8.53 0.02 . 1 . . . . . . . . 4132 1 180 . 1 1 35 35 VAL HA H 1 4.39 0.05 . 1 . . . . . . . . 4132 1 181 . 1 1 35 35 VAL HB H 1 1.98 0.05 . 1 . . . . . . . . 4132 1 182 . 1 1 35 35 VAL HG11 H 1 0.90 0.05 . 2 . . . . . . . . 4132 1 183 . 1 1 35 35 VAL HG12 H 1 0.90 0.05 . 2 . . . . . . . . 4132 1 184 . 1 1 35 35 VAL HG13 H 1 0.90 0.05 . 2 . . . . . . . . 4132 1 185 . 1 1 35 35 VAL HG21 H 1 0.93 0.05 . 2 . . . . . . . . 4132 1 186 . 1 1 35 35 VAL HG22 H 1 0.93 0.05 . 2 . . . . . . . . 4132 1 187 . 1 1 35 35 VAL HG23 H 1 0.93 0.05 . 2 . . . . . . . . 4132 1 188 . 1 1 35 35 VAL CA C 13 58.2 0.5 . 1 . . . . . . . . 4132 1 189 . 1 1 35 35 VAL CB C 13 35.9 0.5 . 1 . . . . . . . . 4132 1 190 . 1 1 35 35 VAL N N 15 120.6 0.7 . 1 . . . . . . . . 4132 1 191 . 1 1 36 36 PRO HA H 1 3.95 0.05 . 1 . . . . . . . . 4132 1 192 . 1 1 36 36 PRO CA C 13 62.6 0.5 . 1 . . . . . . . . 4132 1 193 . 1 1 36 36 PRO CB C 13 32.3 0.5 . 1 . . . . . . . . 4132 1 194 . 1 1 37 37 THR H H 1 8.21 0.02 . 1 . . . . . . . . 4132 1 195 . 1 1 37 37 THR HA H 1 4.28 0.05 . 1 . . . . . . . . 4132 1 196 . 1 1 37 37 THR HB H 1 4.36 0.05 . 1 . . . . . . . . 4132 1 197 . 1 1 37 37 THR HG21 H 1 1.20 0.05 . 2 . . . . . . . . 4132 1 198 . 1 1 37 37 THR HG22 H 1 1.20 0.05 . 2 . . . . . . . . 4132 1 199 . 1 1 37 37 THR HG23 H 1 1.20 0.05 . 2 . . . . . . . . 4132 1 200 . 1 1 37 37 THR CA C 13 62.9 0.5 . 1 . . . . . . . . 4132 1 201 . 1 1 37 37 THR CB C 13 71.4 0.5 . 1 . . . . . . . . 4132 1 202 . 1 1 37 37 THR CG2 C 13 20.9 0.5 . 1 . . . . . . . . 4132 1 203 . 1 1 37 37 THR N N 15 114.2 0.7 . 1 . . . . . . . . 4132 1 204 . 1 1 38 38 LYS H H 1 8.31 0.02 . 1 . . . . . . . . 4132 1 205 . 1 1 38 38 LYS HA H 1 4.87 0.05 . 1 . . . . . . . . 4132 1 206 . 1 1 38 38 LYS HB2 H 1 1.68 0.05 . 2 . . . . . . . . 4132 1 207 . 1 1 38 38 LYS CA C 13 55.5 0.5 . 1 . . . . . . . . 4132 1 208 . 1 1 38 38 LYS CB C 13 35.1 0.5 . 1 . . . . . . . . 4132 1 209 . 1 1 38 38 LYS N N 15 118.8 0.7 . 1 . . . . . . . . 4132 1 210 . 1 1 39 39 ASN H H 1 9.15 0.02 . 1 . . . . . . . . 4132 1 211 . 1 1 39 39 ASN HA H 1 5.04 0.05 . 1 . . . . . . . . 4132 1 212 . 1 1 39 39 ASN HB2 H 1 2.73 0.05 . 2 . . . . . . . . 4132 1 213 . 1 1 39 39 ASN HB3 H 1 2.83 0.05 . 2 . . . . . . . . 4132 1 214 . 1 1 39 39 ASN CA C 13 52.9 0.5 . 1 . . . . . . . . 4132 1 215 . 1 1 39 39 ASN CB C 13 38.6 0.5 . 1 . . . . . . . . 4132 1 216 . 1 1 39 39 ASN N N 15 121.5 0.7 . 1 . . . . . . . . 4132 1 217 . 1 1 40 40 PRO HA H 1 4.39 0.05 . 1 . . . . . . . . 4132 1 218 . 1 1 40 40 PRO CA C 13 66.1 0.5 . 1 . . . . . . . . 4132 1 219 . 1 1 40 40 PRO CB C 13 32.0 0.5 . 1 . . . . . . . . 4132 1 220 . 1 1 41 41 ASP H H 1 7.48 0.02 . 1 . . . . . . . . 4132 1 221 . 1 1 41 41 ASP HA H 1 4.53 0.05 . 1 . . . . . . . . 4132 1 222 . 1 1 41 41 ASP HB2 H 1 2.88 0.05 . 2 . . . . . . . . 4132 1 223 . 1 1 41 41 ASP HB3 H 1 2.62 0.05 . 2 . . . . . . . . 4132 1 224 . 1 1 41 41 ASP CA C 13 53.6 0.5 . 1 . . . . . . . . 4132 1 225 . 1 1 41 41 ASP CB C 13 40.3 0.5 . 1 . . . . . . . . 4132 1 226 . 1 1 41 41 ASP N N 15 113.1 0.7 . 1 . . . . . . . . 4132 1 227 . 1 1 42 42 GLY H H 1 8.35 0.02 . 1 . . . . . . . . 4132 1 228 . 1 1 42 42 GLY HA2 H 1 4.41 0.05 . 2 . . . . . . . . 4132 1 229 . 1 1 42 42 GLY HA3 H 1 3.59 0.05 . 2 . . . . . . . . 4132 1 230 . 1 1 42 42 GLY CA C 13 46.0 0.5 . 1 . . . . . . . . 4132 1 231 . 1 1 42 42 GLY N N 15 108.3 0.7 . 1 . . . . . . . . 4132 1 232 . 1 1 43 43 THR H H 1 8.03 0.02 . 1 . . . . . . . . 4132 1 233 . 1 1 43 43 THR HA H 1 4.33 0.05 . 1 . . . . . . . . 4132 1 234 . 1 1 43 43 THR HB H 1 4.37 0.05 . 2 . . . . . . . . 4132 1 235 . 1 1 43 43 THR HG21 H 1 1.22 0.05 . 2 . . . . . . . . 4132 1 236 . 1 1 43 43 THR HG22 H 1 1.22 0.05 . 2 . . . . . . . . 4132 1 237 . 1 1 43 43 THR HG23 H 1 1.22 0.05 . 2 . . . . . . . . 4132 1 238 . 1 1 43 43 THR CA C 13 62.2 0.5 . 1 . . . . . . . . 4132 1 239 . 1 1 43 43 THR CB C 13 71.9 0.5 . 1 . . . . . . . . 4132 1 240 . 1 1 43 43 THR CG2 C 13 22.4 0.5 . 1 . . . . . . . . 4132 1 241 . 1 1 43 43 THR N N 15 111.9 0.7 . 1 . . . . . . . . 4132 1 242 . 1 1 44 44 MET H H 1 8.63 0.02 . 1 . . . . . . . . 4132 1 243 . 1 1 44 44 MET HA H 1 4.49 0.05 . 1 . . . . . . . . 4132 1 244 . 1 1 44 44 MET HB2 H 1 2.01 0.05 . 2 . . . . . . . . 4132 1 245 . 1 1 44 44 MET HG2 H 1 2.58 0.05 . 2 . . . . . . . . 4132 1 246 . 1 1 44 44 MET HG3 H 1 2.54 0.05 . 2 . . . . . . . . 4132 1 247 . 1 1 44 44 MET CA C 13 56.6 0.5 . 1 . . . . . . . . 4132 1 248 . 1 1 44 44 MET CB C 13 34.6 0.5 . 1 . . . . . . . . 4132 1 249 . 1 1 44 44 MET N N 15 118.8 0.7 . 1 . . . . . . . . 4132 1 250 . 1 1 45 45 ASN H H 1 9.09 0.02 . 1 . . . . . . . . 4132 1 251 . 1 1 45 45 ASN HA H 1 4.86 0.05 . 1 . . . . . . . . 4132 1 252 . 1 1 45 45 ASN HB2 H 1 2.82 0.05 . 2 . . . . . . . . 4132 1 253 . 1 1 45 45 ASN HB3 H 1 2.68 0.05 . 2 . . . . . . . . 4132 1 254 . 1 1 45 45 ASN CA C 13 51.5 0.5 . 1 . . . . . . . . 4132 1 255 . 1 1 45 45 ASN CB C 13 37.9 0.5 . 1 . . . . . . . . 4132 1 256 . 1 1 45 45 ASN N N 15 122.8 0.7 . 1 . . . . . . . . 4132 1 257 . 1 1 46 46 LEU H H 1 8.45 0.02 . 1 . . . . . . . . 4132 1 258 . 1 1 46 46 LEU HA H 1 3.94 0.05 . 1 . . . . . . . . 4132 1 259 . 1 1 46 46 LEU HB2 H 1 1.69 0.05 . 2 . . . . . . . . 4132 1 260 . 1 1 46 46 LEU HD11 H 1 0.77 0.05 . 2 . . . . . . . . 4132 1 261 . 1 1 46 46 LEU HD12 H 1 0.77 0.05 . 2 . . . . . . . . 4132 1 262 . 1 1 46 46 LEU HD13 H 1 0.77 0.05 . 2 . . . . . . . . 4132 1 263 . 1 1 46 46 LEU HD21 H 1 0.98 0.05 . 2 . . . . . . . . 4132 1 264 . 1 1 46 46 LEU HD22 H 1 0.98 0.05 . 2 . . . . . . . . 4132 1 265 . 1 1 46 46 LEU HD23 H 1 0.98 0.05 . 2 . . . . . . . . 4132 1 266 . 1 1 46 46 LEU CA C 13 56.8 0.5 . 1 . . . . . . . . 4132 1 267 . 1 1 46 46 LEU CB C 13 42.5 0.5 . 1 . . . . . . . . 4132 1 268 . 1 1 46 46 LEU N N 15 120.2 0.7 . 1 . . . . . . . . 4132 1 269 . 1 1 47 47 MET H H 1 7.79 0.02 . 1 . . . . . . . . 4132 1 270 . 1 1 47 47 MET HA H 1 4.78 0.05 . 1 . . . . . . . . 4132 1 271 . 1 1 47 47 MET HB2 H 1 2.14 0.05 . 2 . . . . . . . . 4132 1 272 . 1 1 47 47 MET HB3 H 1 2.06 0.05 . 2 . . . . . . . . 4132 1 273 . 1 1 47 47 MET CA C 13 55.8 0.5 . 1 . . . . . . . . 4132 1 274 . 1 1 47 47 MET CB C 13 31.2 0.5 . 1 . . . . . . . . 4132 1 275 . 1 1 47 47 MET N N 15 110.4 0.7 . 1 . . . . . . . . 4132 1 276 . 1 1 48 48 ASN H H 1 7.25 0.02 . 1 . . . . . . . . 4132 1 277 . 1 1 48 48 ASN HA H 1 5.56 0.05 . 1 . . . . . . . . 4132 1 278 . 1 1 48 48 ASN HB2 H 1 2.69 0.05 . 2 . . . . . . . . 4132 1 279 . 1 1 48 48 ASN CA C 13 53.3 0.5 . 1 . . . . . . . . 4132 1 280 . 1 1 48 48 ASN CB C 13 41.1 0.5 . 1 . . . . . . . . 4132 1 281 . 1 1 48 48 ASN N N 15 119.5 0.7 . 1 . . . . . . . . 4132 1 282 . 1 1 49 49 TRP H H 1 9.81 0.02 . 1 . . . . . . . . 4132 1 283 . 1 1 49 49 TRP HA H 1 5.42 0.05 . 1 . . . . . . . . 4132 1 284 . 1 1 49 49 TRP HB2 H 1 2.86 0.05 . 2 . . . . . . . . 4132 1 285 . 1 1 49 49 TRP CA C 13 56.9 0.5 . 1 . . . . . . . . 4132 1 286 . 1 1 49 49 TRP CB C 13 31.1 0.5 . 1 . . . . . . . . 4132 1 287 . 1 1 49 49 TRP N N 15 125.9 0.7 . 1 . . . . . . . . 4132 1 288 . 1 1 50 50 GLU H H 1 9.05 0.02 . 1 . . . . . . . . 4132 1 289 . 1 1 50 50 GLU HA H 1 4.62 0.05 . 1 . . . . . . . . 4132 1 290 . 1 1 50 50 GLU CA C 13 56.9 0.5 . 1 . . . . . . . . 4132 1 291 . 1 1 50 50 GLU CB C 13 31.8 0.5 . 1 . . . . . . . . 4132 1 292 . 1 1 50 50 GLU N N 15 121.7 0.7 . 1 . . . . . . . . 4132 1 293 . 1 1 51 51 CYS H H 1 9.08 0.02 . 1 . . . . . . . . 4132 1 294 . 1 1 51 51 CYS HA H 1 5.44 0.05 . 1 . . . . . . . . 4132 1 295 . 1 1 51 51 CYS CA C 13 55.6 0.5 . 1 . . . . . . . . 4132 1 296 . 1 1 51 51 CYS CB C 13 32.3 0.5 . 1 . . . . . . . . 4132 1 297 . 1 1 51 51 CYS N N 15 121.3 0.7 . 1 . . . . . . . . 4132 1 298 . 1 1 52 52 ALA H H 1 9.37 0.02 . 1 . . . . . . . . 4132 1 299 . 1 1 52 52 ALA HA H 1 5.17 0.05 . 1 . . . . . . . . 4132 1 300 . 1 1 52 52 ALA HB1 H 1 1.19 0.05 . 1 . . . . . . . . 4132 1 301 . 1 1 52 52 ALA HB2 H 1 1.19 0.05 . 1 . . . . . . . . 4132 1 302 . 1 1 52 52 ALA HB3 H 1 1.19 0.05 . 1 . . . . . . . . 4132 1 303 . 1 1 52 52 ALA CA C 13 52.9 0.5 . 1 . . . . . . . . 4132 1 304 . 1 1 52 52 ALA CB C 13 22.1 0.5 . 1 . . . . . . . . 4132 1 305 . 1 1 52 52 ALA N N 15 124.6 0.7 . 1 . . . . . . . . 4132 1 306 . 1 1 53 53 ILE H H 1 8.69 0.02 . 1 . . . . . . . . 4132 1 307 . 1 1 53 53 ILE HA H 1 4.31 0.05 . 1 . . . . . . . . 4132 1 308 . 1 1 53 53 ILE HG21 H 1 0.92 0.05 . 1 . . . . . . . . 4132 1 309 . 1 1 53 53 ILE HG22 H 1 0.92 0.05 . 1 . . . . . . . . 4132 1 310 . 1 1 53 53 ILE HG23 H 1 0.92 0.05 . 1 . . . . . . . . 4132 1 311 . 1 1 53 53 ILE HD11 H 1 0.77 0.05 . 1 . . . . . . . . 4132 1 312 . 1 1 53 53 ILE HD12 H 1 0.77 0.05 . 1 . . . . . . . . 4132 1 313 . 1 1 53 53 ILE HD13 H 1 0.77 0.05 . 1 . . . . . . . . 4132 1 314 . 1 1 53 53 ILE CA C 13 57.2 0.5 . 1 . . . . . . . . 4132 1 315 . 1 1 53 53 ILE N N 15 120.2 0.7 . 1 . . . . . . . . 4132 1 316 . 1 1 54 54 PRO HA H 1 5.09 0.05 . 1 . . . . . . . . 4132 1 317 . 1 1 54 54 PRO HB2 H 1 1.72 0.05 . 2 . . . . . . . . 4132 1 318 . 1 1 54 54 PRO HB3 H 1 1.90 0.05 . 2 . . . . . . . . 4132 1 319 . 1 1 54 54 PRO HG2 H 1 2.04 0.05 . 2 . . . . . . . . 4132 1 320 . 1 1 54 54 PRO HG3 H 1 2.08 0.05 . 2 . . . . . . . . 4132 1 321 . 1 1 54 54 PRO CA C 13 61.8 0.5 . 1 . . . . . . . . 4132 1 322 . 1 1 54 54 PRO CB C 13 32.4 0.5 . 1 . . . . . . . . 4132 1 323 . 1 1 55 55 GLY H H 1 8.51 0.02 . 1 . . . . . . . . 4132 1 324 . 1 1 55 55 GLY HA2 H 1 4.13 0.05 . 2 . . . . . . . . 4132 1 325 . 1 1 55 55 GLY HA3 H 1 4.02 0.05 . 2 . . . . . . . . 4132 1 326 . 1 1 55 55 GLY CA C 13 46.1 0.5 . 1 . . . . . . . . 4132 1 327 . 1 1 55 55 GLY N N 15 106.0 0.7 . 1 . . . . . . . . 4132 1 328 . 1 1 56 56 LYS H H 1 8.81 0.02 . 1 . . . . . . . . 4132 1 329 . 1 1 56 56 LYS HA H 1 4.21 0.05 . 1 . . . . . . . . 4132 1 330 . 1 1 56 56 LYS HB2 H 1 1.67 0.05 . 2 . . . . . . . . 4132 1 331 . 1 1 56 56 LYS HB3 H 1 1.88 0.05 . 2 . . . . . . . . 4132 1 332 . 1 1 56 56 LYS CA C 13 58.3 0.5 . 1 . . . . . . . . 4132 1 333 . 1 1 56 56 LYS CB C 13 34.1 0.5 . 1 . . . . . . . . 4132 1 334 . 1 1 56 56 LYS N N 15 124.8 0.7 . 1 . . . . . . . . 4132 1 335 . 1 1 57 57 LYS H H 1 8.94 0.02 . 1 . . . . . . . . 4132 1 336 . 1 1 57 57 LYS HA H 1 4.10 0.05 . 1 . . . . . . . . 4132 1 337 . 1 1 57 57 LYS HB2 H 1 1.91 0.05 . 2 . . . . . . . . 4132 1 338 . 1 1 57 57 LYS CA C 13 58.4 0.5 . 1 . . . . . . . . 4132 1 339 . 1 1 57 57 LYS CB C 13 33.1 0.5 . 1 . . . . . . . . 4132 1 340 . 1 1 57 57 LYS N N 15 128.4 0.7 . 1 . . . . . . . . 4132 1 341 . 1 1 58 58 GLY H H 1 9.58 0.02 . 1 . . . . . . . . 4132 1 342 . 1 1 58 58 GLY HA2 H 1 4.29 0.05 . 2 . . . . . . . . 4132 1 343 . 1 1 58 58 GLY HA3 H 1 3.78 0.05 . 2 . . . . . . . . 4132 1 344 . 1 1 58 58 GLY CA C 13 46.2 0.5 . 1 . . . . . . . . 4132 1 345 . 1 1 58 58 GLY N N 15 112.6 0.7 . 1 . . . . . . . . 4132 1 346 . 1 1 59 59 THR H H 1 7.66 0.02 . 1 . . . . . . . . 4132 1 347 . 1 1 59 59 THR HA H 1 5.33 0.05 . 1 . . . . . . . . 4132 1 348 . 1 1 59 59 THR HB H 1 4.84 0.05 . 1 . . . . . . . . 4132 1 349 . 1 1 59 59 THR HG21 H 1 1.24 0.05 . 2 . . . . . . . . 4132 1 350 . 1 1 59 59 THR HG22 H 1 1.24 0.05 . 2 . . . . . . . . 4132 1 351 . 1 1 59 59 THR HG23 H 1 1.24 0.05 . 2 . . . . . . . . 4132 1 352 . 1 1 59 59 THR CA C 13 60.3 0.5 . 1 . . . . . . . . 4132 1 353 . 1 1 59 59 THR CB C 13 71.4 0.5 . 1 . . . . . . . . 4132 1 354 . 1 1 59 59 THR N N 15 109.1 0.7 . 1 . . . . . . . . 4132 1 355 . 1 1 60 60 PRO HA H 1 4.51 0.05 . 1 . . . . . . . . 4132 1 356 . 1 1 60 60 PRO CA C 13 65.2 0.5 . 1 . . . . . . . . 4132 1 357 . 1 1 60 60 PRO CB C 13 31.9 0.5 . 1 . . . . . . . . 4132 1 358 . 1 1 61 61 TRP H H 1 7.56 0.02 . 1 . . . . . . . . 4132 1 359 . 1 1 61 61 TRP HA H 1 4.03 0.05 . 1 . . . . . . . . 4132 1 360 . 1 1 61 61 TRP CA C 13 57.5 0.5 . 1 . . . . . . . . 4132 1 361 . 1 1 61 61 TRP CB C 13 29.4 0.5 . 1 . . . . . . . . 4132 1 362 . 1 1 61 61 TRP N N 15 117.2 0.7 . 1 . . . . . . . . 4132 1 363 . 1 1 62 62 GLU H H 1 7.82 0.02 . 1 . . . . . . . . 4132 1 364 . 1 1 62 62 GLU HA H 1 4.21 0.05 . 1 . . . . . . . . 4132 1 365 . 1 1 62 62 GLU CA C 13 59.2 0.5 . 1 . . . . . . . . 4132 1 366 . 1 1 62 62 GLU CB C 13 30.6 0.5 . 1 . . . . . . . . 4132 1 367 . 1 1 62 62 GLU N N 15 120.6 0.7 . 1 . . . . . . . . 4132 1 368 . 1 1 63 63 GLY H H 1 9.33 0.02 . 1 . . . . . . . . 4132 1 369 . 1 1 63 63 GLY HA2 H 1 4.43 0.05 . 9 . . . . . . . . 4132 1 370 . 1 1 63 63 GLY HA3 H 1 3.69 0.05 . 9 . . . . . . . . 4132 1 371 . 1 1 63 63 GLY CA C 13 45.0 0.5 . 1 . . . . . . . . 4132 1 372 . 1 1 63 63 GLY N N 15 114.8 0.7 . 1 . . . . . . . . 4132 1 373 . 1 1 64 64 GLY H H 1 7.75 0.02 . 1 . . . . . . . . 4132 1 374 . 1 1 64 64 GLY HA2 H 1 4.09 0.05 . 2 . . . . . . . . 4132 1 375 . 1 1 64 64 GLY CA C 13 45.4 0.5 . 1 . . . . . . . . 4132 1 376 . 1 1 64 64 GLY N N 15 104.0 0.7 . 1 . . . . . . . . 4132 1 377 . 1 1 65 65 LEU H H 1 7.88 0.02 . 1 . . . . . . . . 4132 1 378 . 1 1 65 65 LEU HA H 1 4.46 0.05 . 1 . . . . . . . . 4132 1 379 . 1 1 65 65 LEU HB2 H 1 1.82 0.05 . 2 . . . . . . . . 4132 1 380 . 1 1 65 65 LEU HG H 1 0.84 0.05 . 1 . . . . . . . . 4132 1 381 . 1 1 65 65 LEU CA C 13 55.0 0.5 . 1 . . . . . . . . 4132 1 382 . 1 1 65 65 LEU CB C 13 44.5 0.5 . 1 . . . . . . . . 4132 1 383 . 1 1 65 65 LEU N N 15 126.4 0.7 . 1 . . . . . . . . 4132 1 384 . 1 1 66 66 PHE H H 1 8.62 0.02 . 1 . . . . . . . . 4132 1 385 . 1 1 66 66 PHE HA H 1 4.70 0.05 . 1 . . . . . . . . 4132 1 386 . 1 1 66 66 PHE HB2 H 1 2.96 0.05 . 2 . . . . . . . . 4132 1 387 . 1 1 66 66 PHE CA C 13 57.8 0.5 . 1 . . . . . . . . 4132 1 388 . 1 1 66 66 PHE CB C 13 40.7 0.5 . 1 . . . . . . . . 4132 1 389 . 1 1 66 66 PHE N N 15 125.9 0.7 . 1 . . . . . . . . 4132 1 390 . 1 1 67 67 LYS H H 1 8.39 0.02 . 1 . . . . . . . . 4132 1 391 . 1 1 67 67 LYS HA H 1 4.82 0.05 . 1 . . . . . . . . 4132 1 392 . 1 1 67 67 LYS HB2 H 1 2.16 0.05 . 2 . . . . . . . . 4132 1 393 . 1 1 67 67 LYS HE2 H 1 3.02 0.05 . 2 . . . . . . . . 4132 1 394 . 1 1 67 67 LYS CA C 13 57.3 0.5 . 1 . . . . . . . . 4132 1 395 . 1 1 67 67 LYS CB C 13 33.4 0.5 . 1 . . . . . . . . 4132 1 396 . 1 1 67 67 LYS N N 15 125.0 0.7 . 1 . . . . . . . . 4132 1 397 . 1 1 68 68 LEU H H 1 8.65 0.02 . 1 . . . . . . . . 4132 1 398 . 1 1 68 68 LEU HA H 1 4.81 0.05 . 1 . . . . . . . . 4132 1 399 . 1 1 68 68 LEU CA C 13 54.0 0.5 . 1 . . . . . . . . 4132 1 400 . 1 1 68 68 LEU CB C 13 46.5 0.5 . 1 . . . . . . . . 4132 1 401 . 1 1 68 68 LEU N N 15 124.6 0.7 . 1 . . . . . . . . 4132 1 402 . 1 1 69 69 ARG H H 1 9.28 0.02 . 1 . . . . . . . . 4132 1 403 . 1 1 69 69 ARG HA H 1 5.22 0.05 . 1 . . . . . . . . 4132 1 404 . 1 1 69 69 ARG CA C 13 54.4 0.5 . 1 . . . . . . . . 4132 1 405 . 1 1 69 69 ARG CB C 13 33.6 0.5 . 1 . . . . . . . . 4132 1 406 . 1 1 69 69 ARG N N 15 127.3 0.7 . 1 . . . . . . . . 4132 1 407 . 1 1 70 70 MET H H 1 9.02 0.02 . 1 . . . . . . . . 4132 1 408 . 1 1 70 70 MET HA H 1 4.88 0.05 . 1 . . . . . . . . 4132 1 409 . 1 1 70 70 MET CA C 13 55.0 0.5 . 1 . . . . . . . . 4132 1 410 . 1 1 70 70 MET CB C 13 37.2 0.5 . 1 . . . . . . . . 4132 1 411 . 1 1 70 70 MET N N 15 126.0 0.7 . 1 . . . . . . . . 4132 1 412 . 1 1 71 71 LEU H H 1 8.62 0.02 . 1 . . . . . . . . 4132 1 413 . 1 1 71 71 LEU HA H 1 5.00 0.05 . 1 . . . . . . . . 4132 1 414 . 1 1 71 71 LEU HB2 H 1 1.38 0.05 . 2 . . . . . . . . 4132 1 415 . 1 1 71 71 LEU HD11 H 1 0.83 0.05 . 2 . . . . . . . . 4132 1 416 . 1 1 71 71 LEU HD12 H 1 0.83 0.05 . 2 . . . . . . . . 4132 1 417 . 1 1 71 71 LEU HD13 H 1 0.83 0.05 . 2 . . . . . . . . 4132 1 418 . 1 1 71 71 LEU HD21 H 1 0.78 0.05 . 2 . . . . . . . . 4132 1 419 . 1 1 71 71 LEU HD22 H 1 0.78 0.05 . 2 . . . . . . . . 4132 1 420 . 1 1 71 71 LEU HD23 H 1 0.78 0.05 . 2 . . . . . . . . 4132 1 421 . 1 1 71 71 LEU CA C 13 54.0 0.5 . 1 . . . . . . . . 4132 1 422 . 1 1 71 71 LEU CB C 13 44.2 0.5 . 1 . . . . . . . . 4132 1 423 . 1 1 71 71 LEU N N 15 124.2 0.7 . 1 . . . . . . . . 4132 1 424 . 1 1 72 72 PHE H H 1 8.56 0.02 . 1 . . . . . . . . 4132 1 425 . 1 1 72 72 PHE HA H 1 4.21 0.05 . 1 . . . . . . . . 4132 1 426 . 1 1 72 72 PHE CA C 13 57.8 0.5 . 1 . . . . . . . . 4132 1 427 . 1 1 72 72 PHE CB C 13 42.3 0.5 . 1 . . . . . . . . 4132 1 428 . 1 1 72 72 PHE N N 15 122.8 0.7 . 1 . . . . . . . . 4132 1 429 . 1 1 73 73 LYS H H 1 8.60 0.02 . 1 . . . . . . . . 4132 1 430 . 1 1 73 73 LYS HA H 1 4.58 0.05 . 1 . . . . . . . . 4132 1 431 . 1 1 73 73 LYS HB2 H 1 1.71 0.05 . 2 . . . . . . . . 4132 1 432 . 1 1 73 73 LYS HG2 H 1 1.63 0.05 . 2 . . . . . . . . 4132 1 433 . 1 1 73 73 LYS CA C 13 55.7 0.5 . 1 . . . . . . . . 4132 1 434 . 1 1 73 73 LYS CB C 13 35.2 0.5 . 1 . . . . . . . . 4132 1 435 . 1 1 73 73 LYS N N 15 120.6 0.7 . 1 . . . . . . . . 4132 1 436 . 1 1 74 74 ASP H H 1 8.41 0.02 . 1 . . . . . . . . 4132 1 437 . 1 1 74 74 ASP HA H 1 4.28 0.05 . 1 . . . . . . . . 4132 1 438 . 1 1 74 74 ASP HB2 H 1 2.71 0.05 . 2 . . . . . . . . 4132 1 439 . 1 1 74 74 ASP CA C 13 57.3 0.5 . 1 . . . . . . . . 4132 1 440 . 1 1 74 74 ASP CB C 13 41.6 0.5 . 1 . . . . . . . . 4132 1 441 . 1 1 74 74 ASP N N 15 116.6 0.7 . 1 . . . . . . . . 4132 1 442 . 1 1 75 75 ASP H H 1 7.87 0.02 . 1 . . . . . . . . 4132 1 443 . 1 1 75 75 ASP HA H 1 4.77 0.05 . 1 . . . . . . . . 4132 1 444 . 1 1 75 75 ASP HB2 H 1 2.60 0.05 . 2 . . . . . . . . 4132 1 445 . 1 1 75 75 ASP CA C 13 53.3 0.5 . 1 . . . . . . . . 4132 1 446 . 1 1 75 75 ASP CB C 13 40.1 0.5 . 1 . . . . . . . . 4132 1 447 . 1 1 75 75 ASP N N 15 113.1 0.7 . 1 . . . . . . . . 4132 1 448 . 1 1 76 76 TYR H H 1 7.99 0.02 . 1 . . . . . . . . 4132 1 449 . 1 1 76 76 TYR HA H 1 4.24 0.05 . 1 . . . . . . . . 4132 1 450 . 1 1 76 76 TYR HB2 H 1 3.21 0.05 . 2 . . . . . . . . 4132 1 451 . 1 1 76 76 TYR CA C 13 58.0 0.5 . 1 . . . . . . . . 4132 1 452 . 1 1 76 76 TYR CB C 13 39.0 0.5 . 1 . . . . . . . . 4132 1 453 . 1 1 76 76 TYR N N 15 125.9 0.7 . 1 . . . . . . . . 4132 1 454 . 1 1 77 77 PRO CA C 13 64.8 0.5 . 1 . . . . . . . . 4132 1 455 . 1 1 77 77 PRO CB C 13 32.8 0.5 . 1 . . . . . . . . 4132 1 456 . 1 1 78 78 SER H H 1 9.13 0.02 . 1 . . . . . . . . 4132 1 457 . 1 1 78 78 SER HA H 1 4.42 0.05 . 1 . . . . . . . . 4132 1 458 . 1 1 78 78 SER CA C 13 63.1 0.5 . 1 . . . . . . . . 4132 1 459 . 1 1 78 78 SER N N 15 121.7 0.7 . 1 . . . . . . . . 4132 1 460 . 1 1 79 79 SER H H 1 7.21 0.02 . 1 . . . . . . . . 4132 1 461 . 1 1 79 79 SER HA H 1 4.63 0.05 . 1 . . . . . . . . 4132 1 462 . 1 1 79 79 SER CA C 13 54.1 0.5 . 1 . . . . . . . . 4132 1 463 . 1 1 79 79 SER N N 15 112.8 0.7 . 1 . . . . . . . . 4132 1 464 . 1 1 80 80 PRO HA H 1 4.39 0.05 . 9 . . . . . . . . 4132 1 465 . 1 1 81 81 PRO HA H 1 4.14 0.05 . 1 . . . . . . . . 4132 1 466 . 1 1 81 81 PRO HB2 H 1 2.00 0.05 . 2 . . . . . . . . 4132 1 467 . 1 1 81 81 PRO HB3 H 1 2.06 0.05 . 2 . . . . . . . . 4132 1 468 . 1 1 81 81 PRO CA C 13 62.0 0.5 . 1 . . . . . . . . 4132 1 469 . 1 1 81 81 PRO CB C 13 30.9 0.5 . 1 . . . . . . . . 4132 1 470 . 1 1 82 82 LYS H H 1 8.25 0.02 . 1 . . . . . . . . 4132 1 471 . 1 1 82 82 LYS HA H 1 4.30 0.05 . 1 . . . . . . . . 4132 1 472 . 1 1 82 82 LYS HB2 H 1 1.69 0.05 . 2 . . . . . . . . 4132 1 473 . 1 1 82 82 LYS CA C 13 55.7 0.5 . 1 . . . . . . . . 4132 1 474 . 1 1 82 82 LYS CB C 13 34.4 0.5 . 1 . . . . . . . . 4132 1 475 . 1 1 82 82 LYS N N 15 119.5 0.7 . 1 . . . . . . . . 4132 1 476 . 1 1 83 83 CYS H H 1 8.90 0.02 . 1 . . . . . . . . 4132 1 477 . 1 1 83 83 CYS HA H 1 5.25 0.05 . 1 . . . . . . . . 4132 1 478 . 1 1 83 83 CYS CA C 13 57.8 0.5 . 1 . . . . . . . . 4132 1 479 . 1 1 83 83 CYS CB C 13 30.4 0.5 . 1 . . . . . . . . 4132 1 480 . 1 1 83 83 CYS N N 15 122.8 0.7 . 1 . . . . . . . . 4132 1 481 . 1 1 84 84 LYS H H 1 8.82 0.02 . 1 . . . . . . . . 4132 1 482 . 1 1 84 84 LYS HA H 1 4.84 0.05 . 1 . . . . . . . . 4132 1 483 . 1 1 84 84 LYS CA C 13 54.5 0.5 . 1 . . . . . . . . 4132 1 484 . 1 1 84 84 LYS CB C 13 37.1 0.5 . 1 . . . . . . . . 4132 1 485 . 1 1 84 84 LYS N N 15 122.4 0.7 . 1 . . . . . . . . 4132 1 486 . 1 1 85 85 PHE H H 1 8.96 0.02 . 1 . . . . . . . . 4132 1 487 . 1 1 85 85 PHE HA H 1 4.62 0.05 . 1 . . . . . . . . 4132 1 488 . 1 1 85 85 PHE HB2 H 1 3.55 0.05 . 2 . . . . . . . . 4132 1 489 . 1 1 85 85 PHE CA C 13 61.4 0.5 . 1 . . . . . . . . 4132 1 490 . 1 1 85 85 PHE CB C 13 40.8 0.5 . 1 . . . . . . . . 4132 1 491 . 1 1 85 85 PHE N N 15 125.9 0.7 . 1 . . . . . . . . 4132 1 492 . 1 1 86 86 GLU H H 1 7.91 0.02 . 1 . . . . . . . . 4132 1 493 . 1 1 86 86 GLU HA H 1 4.51 0.05 . 1 . . . . . . . . 4132 1 494 . 1 1 86 86 GLU HB2 H 1 2.03 0.05 . 2 . . . . . . . . 4132 1 495 . 1 1 86 86 GLU HG2 H 1 2.20 0.05 . 2 . . . . . . . . 4132 1 496 . 1 1 86 86 GLU CA C 13 53.4 0.5 . 1 . . . . . . . . 4132 1 497 . 1 1 86 86 GLU CB C 13 33.1 0.5 . 1 . . . . . . . . 4132 1 498 . 1 1 86 86 GLU N N 15 123.7 0.7 . 1 . . . . . . . . 4132 1 499 . 1 1 88 88 PRO HA H 1 4.00 0.05 . 1 . . . . . . . . 4132 1 500 . 1 1 88 88 PRO CA C 13 65.0 0.5 . 1 . . . . . . . . 4132 1 501 . 1 1 88 88 PRO CB C 13 33.0 0.5 . 1 . . . . . . . . 4132 1 502 . 1 1 89 89 LEU H H 1 5.56 0.02 . 1 . . . . . . . . 4132 1 503 . 1 1 89 89 LEU HA H 1 4.58 0.05 . 1 . . . . . . . . 4132 1 504 . 1 1 89 89 LEU CA C 13 53.5 0.5 . 1 . . . . . . . . 4132 1 505 . 1 1 89 89 LEU CB C 13 46.1 0.5 . 1 . . . . . . . . 4132 1 506 . 1 1 89 89 LEU N N 15 117.5 0.7 . 1 . . . . . . . . 4132 1 507 . 1 1 90 90 PHE H H 1 9.46 0.02 . 1 . . . . . . . . 4132 1 508 . 1 1 90 90 PHE HA H 1 4.59 0.05 . 1 . . . . . . . . 4132 1 509 . 1 1 90 90 PHE HB2 H 1 3.09 0.05 . 2 . . . . . . . . 4132 1 510 . 1 1 90 90 PHE CA C 13 59.5 0.5 . 1 . . . . . . . . 4132 1 511 . 1 1 90 90 PHE CB C 13 39.5 0.5 . 1 . . . . . . . . 4132 1 512 . 1 1 90 90 PHE N N 15 124.2 0.7 . 1 . . . . . . . . 4132 1 513 . 1 1 91 91 HIS H H 1 6.89 0.02 . 1 . . . . . . . . 4132 1 514 . 1 1 91 91 HIS HA H 1 4.56 0.05 . 1 . . . . . . . . 4132 1 515 . 1 1 91 91 HIS CA C 13 57.2 0.5 . 1 . . . . . . . . 4132 1 516 . 1 1 91 91 HIS N N 15 124.3 0.7 . 1 . . . . . . . . 4132 1 517 . 1 1 92 92 PRO HA H 1 4.38 0.05 . 1 . . . . . . . . 4132 1 518 . 1 1 92 92 PRO HB2 H 1 1.92 0.05 . 2 . . . . . . . . 4132 1 519 . 1 1 92 92 PRO HB3 H 1 2.01 0.05 . 2 . . . . . . . . 4132 1 520 . 1 1 92 92 PRO CA C 13 66.7 0.5 . 1 . . . . . . . . 4132 1 521 . 1 1 93 93 ASN H H 1 11.62 0.02 . 1 . . . . . . . . 4132 1 522 . 1 1 93 93 ASN HA H 1 4.52 0.05 . 1 . . . . . . . . 4132 1 523 . 1 1 93 93 ASN HB2 H 1 2.54 0.05 . 2 . . . . . . . . 4132 1 524 . 1 1 93 93 ASN CA C 13 54.0 0.5 . 1 . . . . . . . . 4132 1 525 . 1 1 93 93 ASN CB C 13 42.4 0.5 . 1 . . . . . . . . 4132 1 526 . 1 1 93 93 ASN N N 15 115.7 0.7 . 1 . . . . . . . . 4132 1 527 . 1 1 94 94 VAL H H 1 7.33 0.02 . 1 . . . . . . . . 4132 1 528 . 1 1 94 94 VAL HA H 1 4.59 0.05 . 1 . . . . . . . . 4132 1 529 . 1 1 94 94 VAL HB H 1 1.93 0.05 . 1 . . . . . . . . 4132 1 530 . 1 1 94 94 VAL HG11 H 1 0.95 0.05 . 2 . . . . . . . . 4132 1 531 . 1 1 94 94 VAL HG12 H 1 0.95 0.05 . 2 . . . . . . . . 4132 1 532 . 1 1 94 94 VAL HG13 H 1 0.95 0.05 . 2 . . . . . . . . 4132 1 533 . 1 1 94 94 VAL HG21 H 1 1.04 0.05 . 2 . . . . . . . . 4132 1 534 . 1 1 94 94 VAL HG22 H 1 1.04 0.05 . 2 . . . . . . . . 4132 1 535 . 1 1 94 94 VAL HG23 H 1 1.04 0.05 . 2 . . . . . . . . 4132 1 536 . 1 1 94 94 VAL CA C 13 61.6 0.5 . 1 . . . . . . . . 4132 1 537 . 1 1 94 94 VAL CB C 13 34.0 0.5 . 1 . . . . . . . . 4132 1 538 . 1 1 94 94 VAL CG1 C 13 21.2 0.5 . 2 . . . . . . . . 4132 1 539 . 1 1 94 94 VAL CG2 C 13 22.2 0.5 . 2 . . . . . . . . 4132 1 540 . 1 1 94 94 VAL N N 15 120.2 0.7 . 1 . . . . . . . . 4132 1 541 . 1 1 95 95 TYR H H 1 9.11 0.02 . 1 . . . . . . . . 4132 1 542 . 1 1 95 95 TYR HA H 1 4.58 0.05 . 1 . . . . . . . . 4132 1 543 . 1 1 95 95 TYR CA C 13 59.5 0.5 . 1 . . . . . . . . 4132 1 544 . 1 1 95 95 TYR N N 15 125.0 0.7 . 1 . . . . . . . . 4132 1 545 . 1 1 96 96 PRO HA H 1 4.35 0.05 . 1 . . . . . . . . 4132 1 546 . 1 1 96 96 PRO HB2 H 1 1.93 0.05 . 4 . . . . . . . . 4132 1 547 . 1 1 96 96 PRO HG2 H 1 2.03 0.05 . 4 . . . . . . . . 4132 1 548 . 1 1 96 96 PRO CA C 13 66.3 0.5 . 1 . . . . . . . . 4132 1 549 . 1 1 96 96 PRO CB C 13 32.2 0.5 . 1 . . . . . . . . 4132 1 550 . 1 1 97 97 SER H H 1 7.55 0.02 . 1 . . . . . . . . 4132 1 551 . 1 1 97 97 SER HA H 1 4.39 0.05 . 1 . . . . . . . . 4132 1 552 . 1 1 97 97 SER HB2 H 1 4.01 0.05 . 2 . . . . . . . . 4132 1 553 . 1 1 97 97 SER HB3 H 1 4.11 0.05 . 2 . . . . . . . . 4132 1 554 . 1 1 97 97 SER CA C 13 59.3 0.5 . 1 . . . . . . . . 4132 1 555 . 1 1 97 97 SER CB C 13 64.7 0.5 . 1 . . . . . . . . 4132 1 556 . 1 1 97 97 SER N N 15 107.1 0.7 . 1 . . . . . . . . 4132 1 557 . 1 1 98 98 GLY H H 1 9.10 0.02 . 1 . . . . . . . . 4132 1 558 . 1 1 98 98 GLY HA2 H 1 4.14 0.05 . 2 . . . . . . . . 4132 1 559 . 1 1 98 98 GLY CA C 13 45.9 0.5 . 1 . . . . . . . . 4132 1 560 . 1 1 98 98 GLY N N 15 111.5 0.7 . 1 . . . . . . . . 4132 1 561 . 1 1 99 99 THR H H 1 7.85 0.02 . 1 . . . . . . . . 4132 1 562 . 1 1 99 99 THR HA H 1 4.40 0.05 . 1 . . . . . . . . 4132 1 563 . 1 1 99 99 THR HB H 1 4.12 0.05 . 1 . . . . . . . . 4132 1 564 . 1 1 99 99 THR HG21 H 1 1.24 0.05 . 1 . . . . . . . . 4132 1 565 . 1 1 99 99 THR HG22 H 1 1.24 0.05 . 1 . . . . . . . . 4132 1 566 . 1 1 99 99 THR HG23 H 1 1.24 0.05 . 1 . . . . . . . . 4132 1 567 . 1 1 99 99 THR CA C 13 65.5 0.5 . 1 . . . . . . . . 4132 1 568 . 1 1 99 99 THR CB C 13 69.2 0.5 . 1 . . . . . . . . 4132 1 569 . 1 1 99 99 THR CG2 C 13 23.5 0.5 . 1 . . . . . . . . 4132 1 570 . 1 1 99 99 THR N N 15 119.7 0.7 . 1 . . . . . . . . 4132 1 571 . 1 1 100 100 VAL H H 1 8.35 0.02 . 1 . . . . . . . . 4132 1 572 . 1 1 100 100 VAL HA H 1 4.12 0.05 . 1 . . . . . . . . 4132 1 573 . 1 1 100 100 VAL HB H 1 1.72 0.05 . 1 . . . . . . . . 4132 1 574 . 1 1 100 100 VAL HG11 H 1 0.74 0.05 . 2 . . . . . . . . 4132 1 575 . 1 1 100 100 VAL HG12 H 1 0.74 0.05 . 2 . . . . . . . . 4132 1 576 . 1 1 100 100 VAL HG13 H 1 0.74 0.05 . 2 . . . . . . . . 4132 1 577 . 1 1 100 100 VAL HG21 H 1 0.66 0.05 . 2 . . . . . . . . 4132 1 578 . 1 1 100 100 VAL HG22 H 1 0.66 0.05 . 2 . . . . . . . . 4132 1 579 . 1 1 100 100 VAL HG23 H 1 0.66 0.05 . 2 . . . . . . . . 4132 1 580 . 1 1 100 100 VAL CA C 13 63.5 0.5 . 1 . . . . . . . . 4132 1 581 . 1 1 100 100 VAL CB C 13 34.2 0.5 . 1 . . . . . . . . 4132 1 582 . 1 1 100 100 VAL CG1 C 13 24.3 0.5 . 2 . . . . . . . . 4132 1 583 . 1 1 100 100 VAL CG2 C 13 22.3 0.5 . 2 . . . . . . . . 4132 1 584 . 1 1 100 100 VAL N N 15 126.2 0.7 . 1 . . . . . . . . 4132 1 585 . 1 1 101 101 CYS H H 1 8.39 0.02 . 1 . . . . . . . . 4132 1 586 . 1 1 101 101 CYS HA H 1 4.72 0.05 . 1 . . . . . . . . 4132 1 587 . 1 1 101 101 CYS HB2 H 1 2.53 0.05 . 2 . . . . . . . . 4132 1 588 . 1 1 101 101 CYS HB3 H 1 2.90 0.05 . 2 . . . . . . . . 4132 1 589 . 1 1 101 101 CYS CA C 13 58.8 0.5 . 1 . . . . . . . . 4132 1 590 . 1 1 101 101 CYS CB C 13 28.1 0.5 . 1 . . . . . . . . 4132 1 591 . 1 1 101 101 CYS N N 15 127.7 0.7 . 1 . . . . . . . . 4132 1 592 . 1 1 102 102 LEU H H 1 7.71 0.02 . 1 . . . . . . . . 4132 1 593 . 1 1 102 102 LEU HA H 1 4.74 0.05 . 1 . . . . . . . . 4132 1 594 . 1 1 102 102 LEU CD1 C 13 0.73 0.05 . 2 . . . . . . . . 4132 1 595 . 1 1 102 102 LEU CA C 13 54.8 0.5 . 1 . . . . . . . . 4132 1 596 . 1 1 102 102 LEU CB C 13 46.6 0.5 . 1 . . . . . . . . 4132 1 597 . 1 1 102 102 LEU N N 15 125.9 0.7 . 1 . . . . . . . . 4132 1 598 . 1 1 103 103 SER H H 1 9.25 0.02 . 1 . . . . . . . . 4132 1 599 . 1 1 103 103 SER HA H 1 4.30 0.05 . 1 . . . . . . . . 4132 1 600 . 1 1 103 103 SER CA C 13 64.1 0.5 . 1 . . . . . . . . 4132 1 601 . 1 1 103 103 SER N N 15 124.2 0.7 . 1 . . . . . . . . 4132 1 602 . 1 1 104 104 ILE H H 1 7.32 0.02 . 1 . . . . . . . . 4132 1 603 . 1 1 104 104 ILE HA H 1 4.01 0.05 . 1 . . . . . . . . 4132 1 604 . 1 1 104 104 ILE HD11 H 1 1.02 0.05 . 1 . . . . . . . . 4132 1 605 . 1 1 104 104 ILE HD12 H 1 1.02 0.05 . 1 . . . . . . . . 4132 1 606 . 1 1 104 104 ILE HD13 H 1 1.02 0.05 . 1 . . . . . . . . 4132 1 607 . 1 1 104 104 ILE CA C 13 64.6 0.5 . 1 . . . . . . . . 4132 1 608 . 1 1 104 104 ILE CB C 13 38.8 0.5 . 1 . . . . . . . . 4132 1 609 . 1 1 104 104 ILE CD1 C 13 18.6 0.5 . 1 . . . . . . . . 4132 1 610 . 1 1 104 104 ILE N N 15 114.2 0.7 . 1 . . . . . . . . 4132 1 611 . 1 1 105 105 LEU H H 1 7.78 0.02 . 1 . . . . . . . . 4132 1 612 . 1 1 105 105 LEU HA H 1 4.68 0.05 . 1 . . . . . . . . 4132 1 613 . 1 1 105 105 LEU CA C 13 53.6 0.5 . 1 . . . . . . . . 4132 1 614 . 1 1 105 105 LEU CB C 13 41.8 0.5 . 1 . . . . . . . . 4132 1 615 . 1 1 105 105 LEU N N 15 114.4 0.7 . 1 . . . . . . . . 4132 1 616 . 1 1 106 106 GLU H H 1 7.35 0.02 . 1 . . . . . . . . 4132 1 617 . 1 1 106 106 GLU HA H 1 4.72 0.05 . 1 . . . . . . . . 4132 1 618 . 1 1 106 106 GLU HB2 H 1 2.10 0.05 . 2 . . . . . . . . 4132 1 619 . 1 1 106 106 GLU HB3 H 1 2.14 0.05 . 2 . . . . . . . . 4132 1 620 . 1 1 106 106 GLU HG2 H 1 2.29 0.05 . 2 . . . . . . . . 4132 1 621 . 1 1 106 106 GLU HG3 H 1 2.38 0.05 . 2 . . . . . . . . 4132 1 622 . 1 1 106 106 GLU CA C 13 55.7 0.5 . 1 . . . . . . . . 4132 1 623 . 1 1 106 106 GLU CB C 13 31.6 0.5 . 1 . . . . . . . . 4132 1 624 . 1 1 106 106 GLU N N 15 118.5 0.7 . 1 . . . . . . . . 4132 1 625 . 1 1 107 107 GLU H H 1 9.54 0.02 . 1 . . . . . . . . 4132 1 626 . 1 1 107 107 GLU HA H 1 4.07 0.05 . 1 . . . . . . . . 4132 1 627 . 1 1 107 107 GLU HB2 H 1 2.06 0.05 . 2 . . . . . . . . 4132 1 628 . 1 1 107 107 GLU CA C 13 60.2 0.5 . 1 . . . . . . . . 4132 1 629 . 1 1 107 107 GLU CB C 13 30.7 0.5 . 1 . . . . . . . . 4132 1 630 . 1 1 107 107 GLU N N 15 127.9 0.7 . 1 . . . . . . . . 4132 1 631 . 1 1 108 108 ASP H H 1 8.89 0.02 . 1 . . . . . . . . 4132 1 632 . 1 1 108 108 ASP HA H 1 4.71 0.05 . 1 . . . . . . . . 4132 1 633 . 1 1 108 108 ASP HB2 H 1 2.83 0.05 . 2 . . . . . . . . 4132 1 634 . 1 1 108 108 ASP HB3 H 1 2.75 0.05 . 2 . . . . . . . . 4132 1 635 . 1 1 108 108 ASP CA C 13 54.6 0.5 . 1 . . . . . . . . 4132 1 636 . 1 1 108 108 ASP CB C 13 40.6 0.5 . 1 . . . . . . . . 4132 1 637 . 1 1 108 108 ASP N N 15 114.6 0.7 . 1 . . . . . . . . 4132 1 638 . 1 1 109 109 LYS H H 1 7.68 0.02 . 1 . . . . . . . . 4132 1 639 . 1 1 109 109 LYS HA H 1 4.74 0.05 . 1 . . . . . . . . 4132 1 640 . 1 1 109 109 LYS HB2 H 1 2.09 0.05 . 2 . . . . . . . . 4132 1 641 . 1 1 109 109 LYS CA C 13 56.5 0.5 . 1 . . . . . . . . 4132 1 642 . 1 1 109 109 LYS CB C 13 33.4 0.5 . 1 . . . . . . . . 4132 1 643 . 1 1 109 109 LYS N N 15 119.9 0.7 . 1 . . . . . . . . 4132 1 644 . 1 1 110 110 ASP H H 1 7.50 0.02 . 1 . . . . . . . . 4132 1 645 . 1 1 110 110 ASP HA H 1 4.98 0.05 . 1 . . . . . . . . 4132 1 646 . 1 1 110 110 ASP HB2 H 1 2.94 0.05 . 2 . . . . . . . . 4132 1 647 . 1 1 110 110 ASP CA C 13 55.6 0.5 . 1 . . . . . . . . 4132 1 648 . 1 1 110 110 ASP CB C 13 43.1 0.5 . 1 . . . . . . . . 4132 1 649 . 1 1 110 110 ASP N N 15 117.9 0.7 . 1 . . . . . . . . 4132 1 650 . 1 1 111 111 TRP H H 1 7.52 0.02 . 1 . . . . . . . . 4132 1 651 . 1 1 111 111 TRP HA H 1 4.78 0.05 . 1 . . . . . . . . 4132 1 652 . 1 1 111 111 TRP HB2 H 1 3.19 0.05 . 2 . . . . . . . . 4132 1 653 . 1 1 111 111 TRP HB3 H 1 2.71 0.05 . 2 . . . . . . . . 4132 1 654 . 1 1 111 111 TRP CA C 13 60.3 0.5 . 1 . . . . . . . . 4132 1 655 . 1 1 111 111 TRP CB C 13 30.6 0.5 . 1 . . . . . . . . 4132 1 656 . 1 1 111 111 TRP N N 15 119.7 0.7 . 1 . . . . . . . . 4132 1 657 . 1 1 112 112 ARG H H 1 5.89 0.02 . 1 . . . . . . . . 4132 1 658 . 1 1 112 112 ARG HA H 1 4.35 0.05 . 1 . . . . . . . . 4132 1 659 . 1 1 112 112 ARG HD2 H 1 3.33 0.05 . 2 . . . . . . . . 4132 1 660 . 1 1 112 112 ARG CA C 13 52.8 0.5 . 1 . . . . . . . . 4132 1 661 . 1 1 112 112 ARG CB C 13 32.8 0.5 . 1 . . . . . . . . 4132 1 662 . 1 1 112 112 ARG N N 15 125.9 0.7 . 1 . . . . . . . . 4132 1 663 . 1 1 113 113 PRO HA H 1 4.34 0.05 . 1 . . . . . . . . 4132 1 664 . 1 1 113 113 PRO HB2 H 1 2.02 0.05 . 2 . . . . . . . . 4132 1 665 . 1 1 113 113 PRO CA C 13 64.8 0.5 . 1 . . . . . . . . 4132 1 666 . 1 1 113 113 PRO CB C 13 32.3 0.5 . 1 . . . . . . . . 4132 1 667 . 1 1 114 114 ALA H H 1 6.94 0.02 . 1 . . . . . . . . 4132 1 668 . 1 1 114 114 ALA HA H 1 4.04 0.05 . 1 . . . . . . . . 4132 1 669 . 1 1 114 114 ALA HB1 H 1 1.29 0.05 . 1 . . . . . . . . 4132 1 670 . 1 1 114 114 ALA HB2 H 1 1.29 0.05 . 1 . . . . . . . . 4132 1 671 . 1 1 114 114 ALA HB3 H 1 1.29 0.05 . 1 . . . . . . . . 4132 1 672 . 1 1 114 114 ALA CA C 13 53.5 0.5 . 1 . . . . . . . . 4132 1 673 . 1 1 114 114 ALA CB C 13 19.6 0.5 . 1 . . . . . . . . 4132 1 674 . 1 1 114 114 ALA N N 15 114.6 0.7 . 1 . . . . . . . . 4132 1 675 . 1 1 115 115 ILE H H 1 7.27 0.02 . 1 . . . . . . . . 4132 1 676 . 1 1 115 115 ILE HA H 1 3.77 0.05 . 1 . . . . . . . . 4132 1 677 . 1 1 115 115 ILE HB H 1 1.47 0.05 . 1 . . . . . . . . 4132 1 678 . 1 1 115 115 ILE HG21 H 1 0.94 0.05 . 4 . . . . . . . . 4132 1 679 . 1 1 115 115 ILE HG22 H 1 0.94 0.05 . 4 . . . . . . . . 4132 1 680 . 1 1 115 115 ILE HG23 H 1 0.94 0.05 . 4 . . . . . . . . 4132 1 681 . 1 1 115 115 ILE CA C 13 64.0 0.5 . 1 . . . . . . . . 4132 1 682 . 1 1 115 115 ILE CB C 13 36.7 0.5 . 1 . . . . . . . . 4132 1 683 . 1 1 115 115 ILE N N 15 121.1 0.7 . 1 . . . . . . . . 4132 1 684 . 1 1 116 116 THR H H 1 7.70 0.02 . 1 . . . . . . . . 4132 1 685 . 1 1 116 116 THR HA H 1 5.06 0.05 . 1 . . . . . . . . 4132 1 686 . 1 1 116 116 THR CA C 13 60.6 0.5 . 1 . . . . . . . . 4132 1 687 . 1 1 116 116 THR CB C 13 73.2 0.5 . 1 . . . . . . . . 4132 1 688 . 1 1 116 116 THR N N 15 116.6 0.7 . 1 . . . . . . . . 4132 1 689 . 1 1 117 117 ILE H H 1 9.67 0.02 . 1 . . . . . . . . 4132 1 690 . 1 1 117 117 ILE HA H 1 3.49 0.05 . 1 . . . . . . . . 4132 1 691 . 1 1 117 117 ILE HB H 1 1.80 0.05 . 1 . . . . . . . . 4132 1 692 . 1 1 117 117 ILE HG12 H 1 1.50 0.05 . 2 . . . . . . . . 4132 1 693 . 1 1 117 117 ILE HG13 H 1 0.71 0.05 . 2 . . . . . . . . 4132 1 694 . 1 1 117 117 ILE HG21 H 1 0.30 0.05 . 1 . . . . . . . . 4132 1 695 . 1 1 117 117 ILE HG22 H 1 0.30 0.05 . 1 . . . . . . . . 4132 1 696 . 1 1 117 117 ILE HG23 H 1 0.30 0.05 . 1 . . . . . . . . 4132 1 697 . 1 1 117 117 ILE HD11 H 1 0.32 0.05 . 1 . . . . . . . . 4132 1 698 . 1 1 117 117 ILE HD12 H 1 0.32 0.05 . 1 . . . . . . . . 4132 1 699 . 1 1 117 117 ILE HD13 H 1 0.32 0.05 . 1 . . . . . . . . 4132 1 700 . 1 1 117 117 ILE CA C 13 67.3 0.5 . 1 . . . . . . . . 4132 1 701 . 1 1 117 117 ILE CB C 13 37.9 0.5 . 1 . . . . . . . . 4132 1 702 . 1 1 117 117 ILE CG2 C 13 17.5 0.5 . 1 . . . . . . . . 4132 1 703 . 1 1 117 117 ILE CD1 C 13 13.0 0.5 . 1 . . . . . . . . 4132 1 704 . 1 1 117 117 ILE N N 15 121.3 0.7 . 1 . . . . . . . . 4132 1 705 . 1 1 118 118 LYS H H 1 8.28 0.02 . 1 . . . . . . . . 4132 1 706 . 1 1 118 118 LYS HA H 1 4.15 0.05 . 1 . . . . . . . . 4132 1 707 . 1 1 118 118 LYS CA C 13 61.6 0.5 . 1 . . . . . . . . 4132 1 708 . 1 1 118 118 LYS CB C 13 33.1 0.5 . 1 . . . . . . . . 4132 1 709 . 1 1 118 118 LYS N N 15 117.7 0.7 . 1 . . . . . . . . 4132 1 710 . 1 1 119 119 GLN H H 1 7.69 0.02 . 1 . . . . . . . . 4132 1 711 . 1 1 119 119 GLN HA H 1 3.96 0.05 . 1 . . . . . . . . 4132 1 712 . 1 1 119 119 GLN CA C 13 59.6 0.5 . 1 . . . . . . . . 4132 1 713 . 1 1 119 119 GLN CB C 13 29.6 0.5 . 1 . . . . . . . . 4132 1 714 . 1 1 119 119 GLN N N 15 116.8 0.7 . 1 . . . . . . . . 4132 1 715 . 1 1 120 120 ILE H H 1 8.29 0.02 . 1 . . . . . . . . 4132 1 716 . 1 1 120 120 ILE HA H 1 3.50 0.05 . 1 . . . . . . . . 4132 1 717 . 1 1 120 120 ILE HB H 1 1.93 0.05 . 1 . . . . . . . . 4132 1 718 . 1 1 120 120 ILE CA C 13 66.8 0.5 . 1 . . . . . . . . 4132 1 719 . 1 1 120 120 ILE CB C 13 39.2 0.5 . 1 . . . . . . . . 4132 1 720 . 1 1 120 120 ILE N N 15 120.6 0.7 . 1 . . . . . . . . 4132 1 721 . 1 1 121 121 LEU H H 1 8.41 0.02 . 1 . . . . . . . . 4132 1 722 . 1 1 121 121 LEU HA H 1 4.04 0.05 . 1 . . . . . . . . 4132 1 723 . 1 1 121 121 LEU HB2 H 1 1.98 0.05 . 2 . . . . . . . . 4132 1 724 . 1 1 121 121 LEU HD11 H 1 0.36 0.05 . 2 . . . . . . . . 4132 1 725 . 1 1 121 121 LEU HD12 H 1 0.36 0.05 . 2 . . . . . . . . 4132 1 726 . 1 1 121 121 LEU HD13 H 1 0.36 0.05 . 2 . . . . . . . . 4132 1 727 . 1 1 121 121 LEU CA C 13 59.3 0.5 . 1 . . . . . . . . 4132 1 728 . 1 1 121 121 LEU CB C 13 42.2 0.5 . 1 . . . . . . . . 4132 1 729 . 1 1 121 121 LEU CD1 C 13 20.0 0.5 . 2 . . . . . . . . 4132 1 730 . 1 1 121 121 LEU N N 15 117.5 0.7 . 1 . . . . . . . . 4132 1 731 . 1 1 122 122 LEU H H 1 8.56 0.02 . 1 . . . . . . . . 4132 1 732 . 1 1 122 122 LEU HA H 1 4.26 0.05 . 1 . . . . . . . . 4132 1 733 . 1 1 122 122 LEU HB2 H 1 2.00 0.05 . 2 . . . . . . . . 4132 1 734 . 1 1 122 122 LEU HD11 H 1 0.76 0.05 . 2 . . . . . . . . 4132 1 735 . 1 1 122 122 LEU HD12 H 1 0.76 0.05 . 2 . . . . . . . . 4132 1 736 . 1 1 122 122 LEU HD13 H 1 0.76 0.05 . 2 . . . . . . . . 4132 1 737 . 1 1 122 122 LEU CA C 13 58.8 0.5 . 1 . . . . . . . . 4132 1 738 . 1 1 122 122 LEU CB C 13 42.5 0.5 . 1 . . . . . . . . 4132 1 739 . 1 1 122 122 LEU CD1 C 13 26.3 0.5 . 2 . . . . . . . . 4132 1 740 . 1 1 122 122 LEU N N 15 119.7 0.7 . 1 . . . . . . . . 4132 1 741 . 1 1 123 123 GLY H H 1 8.24 0.02 . 1 . . . . . . . . 4132 1 742 . 1 1 123 123 GLY HA2 H 1 3.96 0.05 . 2 . . . . . . . . 4132 1 743 . 1 1 123 123 GLY CA C 13 47.4 0.5 . 1 . . . . . . . . 4132 1 744 . 1 1 123 123 GLY N N 15 108.9 0.7 . 1 . . . . . . . . 4132 1 745 . 1 1 124 124 ILE H H 1 8.66 0.02 . 1 . . . . . . . . 4132 1 746 . 1 1 124 124 ILE HA H 1 3.60 0.05 . 1 . . . . . . . . 4132 1 747 . 1 1 124 124 ILE HB H 1 1.79 0.05 . 1 . . . . . . . . 4132 1 748 . 1 1 124 124 ILE HG21 H 1 0.71 0.05 . 1 . . . . . . . . 4132 1 749 . 1 1 124 124 ILE HG22 H 1 0.71 0.05 . 1 . . . . . . . . 4132 1 750 . 1 1 124 124 ILE HG23 H 1 0.71 0.05 . 1 . . . . . . . . 4132 1 751 . 1 1 124 124 ILE HD11 H 1 0.55 0.05 . 1 . . . . . . . . 4132 1 752 . 1 1 124 124 ILE HD12 H 1 0.55 0.05 . 1 . . . . . . . . 4132 1 753 . 1 1 124 124 ILE HD13 H 1 0.55 0.05 . 1 . . . . . . . . 4132 1 754 . 1 1 124 124 ILE CA C 13 65.8 0.5 . 1 . . . . . . . . 4132 1 755 . 1 1 124 124 ILE CB C 13 38.1 0.5 . 1 . . . . . . . . 4132 1 756 . 1 1 124 124 ILE CG2 C 13 20.0 0.5 . 1 . . . . . . . . 4132 1 757 . 1 1 124 124 ILE CD1 C 13 15.3 0.5 . 1 . . . . . . . . 4132 1 758 . 1 1 124 124 ILE N N 15 123.3 0.7 . 1 . . . . . . . . 4132 1 759 . 1 1 125 125 GLN H H 1 8.50 0.02 . 1 . . . . . . . . 4132 1 760 . 1 1 125 125 GLN HA H 1 4.27 0.05 . 1 . . . . . . . . 4132 1 761 . 1 1 125 125 GLN CA C 13 60.9 0.5 . 1 . . . . . . . . 4132 1 762 . 1 1 125 125 GLN CB C 13 29.1 0.5 . 1 . . . . . . . . 4132 1 763 . 1 1 125 125 GLN N N 15 119.5 0.7 . 1 . . . . . . . . 4132 1 764 . 1 1 126 126 GLU H H 1 8.25 0.02 . 1 . . . . . . . . 4132 1 765 . 1 1 126 126 GLU HA H 1 4.08 0.05 . 1 . . . . . . . . 4132 1 766 . 1 1 126 126 GLU HB2 H 1 2.19 0.05 . 2 . . . . . . . . 4132 1 767 . 1 1 126 126 GLU CA C 13 59.3 0.5 . 1 . . . . . . . . 4132 1 768 . 1 1 126 126 GLU CB C 13 30.0 0.5 . 1 . . . . . . . . 4132 1 769 . 1 1 126 126 GLU N N 15 118.9 0.7 . 1 . . . . . . . . 4132 1 770 . 1 1 127 127 LEU H H 1 7.52 0.02 . 1 . . . . . . . . 4132 1 771 . 1 1 127 127 LEU HA H 1 4.02 0.05 . 1 . . . . . . . . 4132 1 772 . 1 1 127 127 LEU HD11 H 1 0.90 0.05 . 2 . . . . . . . . 4132 1 773 . 1 1 127 127 LEU HD12 H 1 0.90 0.05 . 2 . . . . . . . . 4132 1 774 . 1 1 127 127 LEU HD13 H 1 0.90 0.05 . 2 . . . . . . . . 4132 1 775 . 1 1 127 127 LEU CA C 13 56.5 0.5 . 1 . . . . . . . . 4132 1 776 . 1 1 127 127 LEU CB C 13 43.6 0.5 . 1 . . . . . . . . 4132 1 777 . 1 1 127 127 LEU CD1 C 13 23.7 0.5 . 2 . . . . . . . . 4132 1 778 . 1 1 127 127 LEU N N 15 120.5 0.7 . 1 . . . . . . . . 4132 1 779 . 1 1 128 128 LEU H H 1 7.44 0.02 . 1 . . . . . . . . 4132 1 780 . 1 1 128 128 LEU HA H 1 4.17 0.05 . 1 . . . . . . . . 4132 1 781 . 1 1 128 128 LEU CA C 13 57.6 0.5 . 1 . . . . . . . . 4132 1 782 . 1 1 128 128 LEU CB C 13 39.3 0.5 . 1 . . . . . . . . 4132 1 783 . 1 1 128 128 LEU N N 15 114.3 0.7 . 1 . . . . . . . . 4132 1 784 . 1 1 129 129 ASN H H 1 7.20 0.02 . 1 . . . . . . . . 4132 1 785 . 1 1 129 129 ASN HA H 1 5.02 0.05 . 1 . . . . . . . . 4132 1 786 . 1 1 129 129 ASN HB2 H 1 3.01 0.05 . 2 . . . . . . . . 4132 1 787 . 1 1 129 129 ASN HB3 H 1 2.48 0.05 . 2 . . . . . . . . 4132 1 788 . 1 1 129 129 ASN CA C 13 55.0 0.5 . 1 . . . . . . . . 4132 1 789 . 1 1 129 129 ASN CB C 13 41.6 0.5 . 1 . . . . . . . . 4132 1 790 . 1 1 129 129 ASN N N 15 111.5 0.7 . 1 . . . . . . . . 4132 1 791 . 1 1 130 130 GLU H H 1 7.73 0.02 . 1 . . . . . . . . 4132 1 792 . 1 1 130 130 GLU HA H 1 4.85 0.05 . 1 . . . . . . . . 4132 1 793 . 1 1 130 130 GLU HB2 H 1 2.29 0.05 . 2 . . . . . . . . 4132 1 794 . 1 1 130 130 GLU HB3 H 1 1.88 0.05 . 2 . . . . . . . . 4132 1 795 . 1 1 130 130 GLU CA C 13 53.8 0.5 . 1 . . . . . . . . 4132 1 796 . 1 1 130 130 GLU CB C 13 30.9 0.5 . 1 . . . . . . . . 4132 1 797 . 1 1 130 130 GLU N N 15 119.9 0.7 . 1 . . . . . . . . 4132 1 798 . 1 1 131 131 PRO HA H 1 4.47 0.05 . 1 . . . . . . . . 4132 1 799 . 1 1 131 131 PRO HB2 H 1 1.98 0.05 . 2 . . . . . . . . 4132 1 800 . 1 1 131 131 PRO HB3 H 1 2.11 0.05 . 2 . . . . . . . . 4132 1 801 . 1 1 131 131 PRO CA C 13 63.2 0.5 . 1 . . . . . . . . 4132 1 802 . 1 1 131 131 PRO CB C 13 32.8 0.5 . 1 . . . . . . . . 4132 1 803 . 1 1 132 132 ASN H H 1 9.49 0.02 . 1 . . . . . . . . 4132 1 804 . 1 1 132 132 ASN HA H 1 4.97 0.05 . 1 . . . . . . . . 4132 1 805 . 1 1 132 132 ASN HB2 H 1 3.02 0.05 . 2 . . . . . . . . 4132 1 806 . 1 1 132 132 ASN HB3 H 1 2.79 0.05 . 2 . . . . . . . . 4132 1 807 . 1 1 132 132 ASN CA C 13 52.1 0.5 . 1 . . . . . . . . 4132 1 808 . 1 1 132 132 ASN CB C 13 39.5 0.5 . 1 . . . . . . . . 4132 1 809 . 1 1 132 132 ASN N N 15 119.5 0.7 . 1 . . . . . . . . 4132 1 810 . 1 1 133 133 ILE H H 1 8.58 0.02 . 1 . . . . . . . . 4132 1 811 . 1 1 133 133 ILE HA H 1 3.94 0.05 . 1 . . . . . . . . 4132 1 812 . 1 1 133 133 ILE HB H 1 2.17 0.05 . 1 . . . . . . . . 4132 1 813 . 1 1 133 133 ILE CA C 13 62.9 0.5 . 1 . . . . . . . . 4132 1 814 . 1 1 133 133 ILE CB C 13 38.5 0.5 . 1 . . . . . . . . 4132 1 815 . 1 1 133 133 ILE N N 15 121.1 0.7 . 1 . . . . . . . . 4132 1 816 . 1 1 134 134 GLN H H 1 8.14 0.02 . 1 . . . . . . . . 4132 1 817 . 1 1 134 134 GLN HA H 1 4.26 0.05 . 1 . . . . . . . . 4132 1 818 . 1 1 134 134 GLN HB2 H 1 2.37 0.05 . 2 . . . . . . . . 4132 1 819 . 1 1 134 134 GLN HB3 H 1 2.01 0.05 . 2 . . . . . . . . 4132 1 820 . 1 1 134 134 GLN CA C 13 57.3 0.5 . 1 . . . . . . . . 4132 1 821 . 1 1 134 134 GLN CB C 13 29.2 0.5 . 1 . . . . . . . . 4132 1 822 . 1 1 134 134 GLN N N 15 117.9 0.7 . 1 . . . . . . . . 4132 1 823 . 1 1 135 135 ASP H H 1 6.94 0.02 . 1 . . . . . . . . 4132 1 824 . 1 1 135 135 ASP HA H 1 5.00 0.05 . 1 . . . . . . . . 4132 1 825 . 1 1 135 135 ASP HB2 H 1 2.69 0.05 . 2 . . . . . . . . 4132 1 826 . 1 1 135 135 ASP HB3 H 1 2.30 0.05 . 2 . . . . . . . . 4132 1 827 . 1 1 135 135 ASP CA C 13 52.2 0.5 . 1 . . . . . . . . 4132 1 828 . 1 1 135 135 ASP CB C 13 42.6 0.5 . 1 . . . . . . . . 4132 1 829 . 1 1 135 135 ASP N N 15 117.1 0.7 . 1 . . . . . . . . 4132 1 830 . 1 1 136 136 PRO HA H 1 3.88 0.05 . 1 . . . . . . . . 4132 1 831 . 1 1 136 136 PRO CA C 13 63.5 0.5 . 1 . . . . . . . . 4132 1 832 . 1 1 136 136 PRO CB C 13 31.3 0.5 . 1 . . . . . . . . 4132 1 833 . 1 1 137 137 ALA H H 1 8.70 0.02 . 1 . . . . . . . . 4132 1 834 . 1 1 137 137 ALA HA H 1 4.05 0.05 . 1 . . . . . . . . 4132 1 835 . 1 1 137 137 ALA HB1 H 1 0.39 0.05 . 1 . . . . . . . . 4132 1 836 . 1 1 137 137 ALA HB2 H 1 0.39 0.05 . 1 . . . . . . . . 4132 1 837 . 1 1 137 137 ALA HB3 H 1 0.39 0.05 . 1 . . . . . . . . 4132 1 838 . 1 1 137 137 ALA CA C 13 53.0 0.5 . 1 . . . . . . . . 4132 1 839 . 1 1 137 137 ALA CB C 13 19.8 0.5 . 1 . . . . . . . . 4132 1 840 . 1 1 137 137 ALA N N 15 125.5 0.7 . 1 . . . . . . . . 4132 1 841 . 1 1 138 138 GLN H H 1 7.05 0.02 . 1 . . . . . . . . 4132 1 842 . 1 1 138 138 GLN HA H 1 4.68 0.05 . 1 . . . . . . . . 4132 1 843 . 1 1 138 138 GLN CA C 13 55.2 0.5 . 1 . . . . . . . . 4132 1 844 . 1 1 138 138 GLN CB C 13 31.4 0.5 . 1 . . . . . . . . 4132 1 845 . 1 1 138 138 GLN N N 15 116.6 0.7 . 1 . . . . . . . . 4132 1 846 . 1 1 139 139 ALA H H 1 8.72 0.02 . 1 . . . . . . . . 4132 1 847 . 1 1 139 139 ALA HA H 1 4.70 0.05 . 1 . . . . . . . . 4132 1 848 . 1 1 139 139 ALA HB1 H 1 1.53 0.05 . 1 . . . . . . . . 4132 1 849 . 1 1 139 139 ALA HB2 H 1 1.53 0.05 . 1 . . . . . . . . 4132 1 850 . 1 1 139 139 ALA HB3 H 1 1.53 0.05 . 1 . . . . . . . . 4132 1 851 . 1 1 139 139 ALA CA C 13 56.5 0.5 . 1 . . . . . . . . 4132 1 852 . 1 1 139 139 ALA CB C 13 19.5 0.5 . 1 . . . . . . . . 4132 1 853 . 1 1 139 139 ALA N N 15 127.7 0.7 . 1 . . . . . . . . 4132 1 854 . 1 1 140 140 GLU H H 1 9.23 0.02 . 1 . . . . . . . . 4132 1 855 . 1 1 140 140 GLU HA H 1 4.24 0.05 . 1 . . . . . . . . 4132 1 856 . 1 1 140 140 GLU CA C 13 61.2 0.5 . 1 . . . . . . . . 4132 1 857 . 1 1 140 140 GLU CB C 13 30.0 0.5 . 1 . . . . . . . . 4132 1 858 . 1 1 140 140 GLU N N 15 120.2 0.7 . 1 . . . . . . . . 4132 1 859 . 1 1 141 141 ALA H H 1 7.74 0.02 . 1 . . . . . . . . 4132 1 860 . 1 1 141 141 ALA HA H 1 3.88 0.05 . 1 . . . . . . . . 4132 1 861 . 1 1 141 141 ALA HB1 H 1 0.27 0.05 . 1 . . . . . . . . 4132 1 862 . 1 1 141 141 ALA HB2 H 1 0.27 0.05 . 1 . . . . . . . . 4132 1 863 . 1 1 141 141 ALA HB3 H 1 0.27 0.05 . 1 . . . . . . . . 4132 1 864 . 1 1 141 141 ALA CA C 13 55.7 0.5 . 1 . . . . . . . . 4132 1 865 . 1 1 141 141 ALA CB C 13 17.6 0.5 . 1 . . . . . . . . 4132 1 866 . 1 1 141 141 ALA N N 15 117.0 0.7 . 1 . . . . . . . . 4132 1 867 . 1 1 142 142 TYR H H 1 7.81 0.02 . 1 . . . . . . . . 4132 1 868 . 1 1 142 142 TYR HA H 1 3.90 0.05 . 1 . . . . . . . . 4132 1 869 . 1 1 142 142 TYR CA C 13 62.5 0.5 . 1 . . . . . . . . 4132 1 870 . 1 1 142 142 TYR N N 15 115.7 0.7 . 1 . . . . . . . . 4132 1 871 . 1 1 143 143 THR H H 1 8.54 0.02 . 1 . . . . . . . . 4132 1 872 . 1 1 143 143 THR HA H 1 3.71 0.05 . 1 . . . . . . . . 4132 1 873 . 1 1 143 143 THR HB H 1 4.34 0.05 . 1 . . . . . . . . 4132 1 874 . 1 1 143 143 THR HG21 H 1 1.25 0.05 . 1 . . . . . . . . 4132 1 875 . 1 1 143 143 THR HG22 H 1 1.25 0.05 . 1 . . . . . . . . 4132 1 876 . 1 1 143 143 THR HG23 H 1 1.25 0.05 . 1 . . . . . . . . 4132 1 877 . 1 1 143 143 THR CA C 13 67.9 0.5 . 1 . . . . . . . . 4132 1 878 . 1 1 143 143 THR CB C 13 69.7 0.5 . 1 . . . . . . . . 4132 1 879 . 1 1 143 143 THR CG2 C 13 21.7 0.5 . 1 . . . . . . . . 4132 1 880 . 1 1 143 143 THR N N 15 116.2 0.7 . 1 . . . . . . . . 4132 1 881 . 1 1 144 144 ILE H H 1 8.14 0.02 . 1 . . . . . . . . 4132 1 882 . 1 1 144 144 ILE HA H 1 3.85 0.05 . 1 . . . . . . . . 4132 1 883 . 1 1 144 144 ILE HB H 1 2.16 0.05 . 1 . . . . . . . . 4132 1 884 . 1 1 144 144 ILE CA C 13 65.7 0.5 . 1 . . . . . . . . 4132 1 885 . 1 1 144 144 ILE CB C 13 38.8 0.5 . 1 . . . . . . . . 4132 1 886 . 1 1 144 144 ILE N N 15 120.2 0.7 . 1 . . . . . . . . 4132 1 887 . 1 1 145 145 TYR H H 1 8.27 0.02 . 1 . . . . . . . . 4132 1 888 . 1 1 145 145 TYR HA H 1 3.89 0.05 . 1 . . . . . . . . 4132 1 889 . 1 1 145 145 TYR HB2 H 1 3.02 0.05 . 2 . . . . . . . . 4132 1 890 . 1 1 145 145 TYR HB3 H 1 3.48 0.05 . 2 . . . . . . . . 4132 1 891 . 1 1 145 145 TYR CA C 13 63.9 0.5 . 1 . . . . . . . . 4132 1 892 . 1 1 145 145 TYR CB C 13 38.9 0.5 . 1 . . . . . . . . 4132 1 893 . 1 1 145 145 TYR N N 15 119.6 0.7 . 1 . . . . . . . . 4132 1 894 . 1 1 146 146 CYS H H 1 7.61 0.02 . 1 . . . . . . . . 4132 1 895 . 1 1 146 146 CYS HA H 1 3.91 0.05 . 1 . . . . . . . . 4132 1 896 . 1 1 146 146 CYS HB2 H 1 2.72 0.05 . 2 . . . . . . . . 4132 1 897 . 1 1 146 146 CYS CA C 13 63.3 0.5 . 1 . . . . . . . . 4132 1 898 . 1 1 146 146 CYS CB C 13 28.8 0.5 . 1 . . . . . . . . 4132 1 899 . 1 1 146 146 CYS N N 15 111.7 0.7 . 1 . . . . . . . . 4132 1 900 . 1 1 147 147 GLN H H 1 8.28 0.02 . 1 . . . . . . . . 4132 1 901 . 1 1 147 147 GLN HA H 1 4.36 0.05 . 1 . . . . . . . . 4132 1 902 . 1 1 147 147 GLN CA C 13 57.8 0.5 . 1 . . . . . . . . 4132 1 903 . 1 1 147 147 GLN CB C 13 31.1 0.5 . 1 . . . . . . . . 4132 1 904 . 1 1 147 147 GLN N N 15 115.7 0.7 . 1 . . . . . . . . 4132 1 905 . 1 1 148 148 ASN H H 1 9.03 0.02 . 1 . . . . . . . . 4132 1 906 . 1 1 148 148 ASN HA H 1 4.83 0.05 . 1 . . . . . . . . 4132 1 907 . 1 1 148 148 ASN HB2 H 1 3.18 0.05 . 2 . . . . . . . . 4132 1 908 . 1 1 148 148 ASN CA C 13 52.6 0.5 . 1 . . . . . . . . 4132 1 909 . 1 1 148 148 ASN CB C 13 38.4 0.5 . 1 . . . . . . . . 4132 1 910 . 1 1 148 148 ASN N N 15 119.3 0.7 . 1 . . . . . . . . 4132 1 911 . 1 1 149 149 ARG H H 1 8.77 0.02 . 1 . . . . . . . . 4132 1 912 . 1 1 149 149 ARG HA H 1 3.99 0.05 . 1 . . . . . . . . 4132 1 913 . 1 1 149 149 ARG HB2 H 1 1.86 0.05 . 2 . . . . . . . . 4132 1 914 . 1 1 149 149 ARG HB3 H 1 1.65 0.05 . 4 . . . . . . . . 4132 1 915 . 1 1 149 149 ARG HG2 H 1 1.51 0.05 . 4 . . . . . . . . 4132 1 916 . 1 1 149 149 ARG CA C 13 58.3 0.5 . 1 . . . . . . . . 4132 1 917 . 1 1 149 149 ARG CB C 13 29.4 0.5 . 1 . . . . . . . . 4132 1 918 . 1 1 149 149 ARG N N 15 125.0 0.7 . 1 . . . . . . . . 4132 1 919 . 1 1 150 150 VAL H H 1 8.00 0.02 . 1 . . . . . . . . 4132 1 920 . 1 1 150 150 VAL HA H 1 3.88 0.05 . 1 . . . . . . . . 4132 1 921 . 1 1 150 150 VAL HB H 1 2.16 0.05 . 1 . . . . . . . . 4132 1 922 . 1 1 150 150 VAL HG11 H 1 1.09 0.05 . 2 . . . . . . . . 4132 1 923 . 1 1 150 150 VAL HG12 H 1 1.09 0.05 . 2 . . . . . . . . 4132 1 924 . 1 1 150 150 VAL HG13 H 1 1.09 0.05 . 2 . . . . . . . . 4132 1 925 . 1 1 150 150 VAL HG21 H 1 0.99 0.05 . 2 . . . . . . . . 4132 1 926 . 1 1 150 150 VAL HG22 H 1 0.99 0.05 . 2 . . . . . . . . 4132 1 927 . 1 1 150 150 VAL HG23 H 1 0.99 0.05 . 2 . . . . . . . . 4132 1 928 . 1 1 150 150 VAL CA C 13 67.0 0.5 . 1 . . . . . . . . 4132 1 929 . 1 1 150 150 VAL CB C 13 32.4 0.5 . 1 . . . . . . . . 4132 1 930 . 1 1 150 150 VAL N N 15 117.9 0.7 . 1 . . . . . . . . 4132 1 931 . 1 1 151 151 GLU H H 1 7.28 0.02 . 1 . . . . . . . . 4132 1 932 . 1 1 151 151 GLU HA H 1 4.13 0.05 . 1 . . . . . . . . 4132 1 933 . 1 1 151 151 GLU HB2 H 1 2.14 0.05 . 4 . . . . . . . . 4132 1 934 . 1 1 151 151 GLU HG2 H 1 2.45 0.05 . 4 . . . . . . . . 4132 1 935 . 1 1 151 151 GLU CA C 13 58.7 0.5 . 1 . . . . . . . . 4132 1 936 . 1 1 151 151 GLU CB C 13 29.6 0.5 . 1 . . . . . . . . 4132 1 937 . 1 1 151 151 GLU N N 15 121.9 0.7 . 1 . . . . . . . . 4132 1 938 . 1 1 152 152 TYR H H 1 8.53 0.02 . 1 . . . . . . . . 4132 1 939 . 1 1 152 152 TYR HA H 1 4.24 0.05 . 1 . . . . . . . . 4132 1 940 . 1 1 152 152 TYR CA C 13 64.1 0.5 . 1 . . . . . . . . 4132 1 941 . 1 1 152 152 TYR CB C 13 42.5 0.5 . 1 . . . . . . . . 4132 1 942 . 1 1 152 152 TYR N N 15 119.7 0.7 . 1 . . . . . . . . 4132 1 943 . 1 1 153 153 GLU H H 1 8.61 0.02 . 1 . . . . . . . . 4132 1 944 . 1 1 153 153 GLU HA H 1 3.73 0.05 . 1 . . . . . . . . 4132 1 945 . 1 1 153 153 GLU HB2 H 1 2.32 0.05 . 2 . . . . . . . . 4132 1 946 . 1 1 153 153 GLU HB3 H 1 2.07 0.05 . 2 . . . . . . . . 4132 1 947 . 1 1 153 153 GLU CA C 13 61.0 0.5 . 1 . . . . . . . . 4132 1 948 . 1 1 153 153 GLU CB C 13 29.5 0.5 . 1 . . . . . . . . 4132 1 949 . 1 1 153 153 GLU N N 15 117.3 0.7 . 1 . . . . . . . . 4132 1 950 . 1 1 154 154 LYS H H 1 7.83 0.02 . 1 . . . . . . . . 4132 1 951 . 1 1 154 154 LYS HA H 1 3.90 0.05 . 1 . . . . . . . . 4132 1 952 . 1 1 154 154 LYS HB2 H 1 1.92 0.05 . 2 . . . . . . . . 4132 1 953 . 1 1 154 154 LYS HE2 H 1 2.88 0.05 . 2 . . . . . . . . 4132 1 954 . 1 1 154 154 LYS CA C 13 61.0 0.5 . 1 . . . . . . . . 4132 1 955 . 1 1 154 154 LYS CB C 13 33.2 0.5 . 1 . . . . . . . . 4132 1 956 . 1 1 154 154 LYS N N 15 119.7 0.7 . 1 . . . . . . . . 4132 1 957 . 1 1 155 155 ARG H H 1 8.02 0.02 . 1 . . . . . . . . 4132 1 958 . 1 1 155 155 ARG HA H 1 3.85 0.05 . 1 . . . . . . . . 4132 1 959 . 1 1 155 155 ARG CA C 13 59.2 0.5 . 1 . . . . . . . . 4132 1 960 . 1 1 155 155 ARG CB C 13 29.9 0.5 . 1 . . . . . . . . 4132 1 961 . 1 1 155 155 ARG N N 15 119.7 0.7 . 1 . . . . . . . . 4132 1 962 . 1 1 156 156 VAL H H 1 8.29 0.02 . 1 . . . . . . . . 4132 1 963 . 1 1 156 156 VAL HA H 1 3.07 0.05 . 1 . . . . . . . . 4132 1 964 . 1 1 156 156 VAL HB H 1 1.52 0.05 . 1 . . . . . . . . 4132 1 965 . 1 1 156 156 VAL HG11 H 1 0.46 0.05 . 2 . . . . . . . . 4132 1 966 . 1 1 156 156 VAL HG12 H 1 0.46 0.05 . 2 . . . . . . . . 4132 1 967 . 1 1 156 156 VAL HG13 H 1 0.46 0.05 . 2 . . . . . . . . 4132 1 968 . 1 1 156 156 VAL CA C 13 67.5 0.5 . 1 . . . . . . . . 4132 1 969 . 1 1 156 156 VAL CB C 13 31.5 0.5 . 1 . . . . . . . . 4132 1 970 . 1 1 156 156 VAL N N 15 121.0 0.7 . 1 . . . . . . . . 4132 1 971 . 1 1 157 157 ARG H H 1 8.58 0.02 . 1 . . . . . . . . 4132 1 972 . 1 1 157 157 ARG HA H 1 4.14 0.05 . 1 . . . . . . . . 4132 1 973 . 1 1 157 157 ARG HB2 H 1 1.80 0.05 . 2 . . . . . . . . 4132 1 974 . 1 1 157 157 ARG CA C 13 60.6 0.5 . 1 . . . . . . . . 4132 1 975 . 1 1 157 157 ARG CB C 13 30.7 0.5 . 1 . . . . . . . . 4132 1 976 . 1 1 157 157 ARG N N 15 121.1 0.7 . 1 . . . . . . . . 4132 1 977 . 1 1 158 158 ALA H H 1 7.73 0.02 . 1 . . . . . . . . 4132 1 978 . 1 1 158 158 ALA HA H 1 4.15 0.05 . 1 . . . . . . . . 4132 1 979 . 1 1 158 158 ALA HB1 H 1 1.41 0.05 . 1 . . . . . . . . 4132 1 980 . 1 1 158 158 ALA HB2 H 1 1.41 0.05 . 1 . . . . . . . . 4132 1 981 . 1 1 158 158 ALA HB3 H 1 1.41 0.05 . 1 . . . . . . . . 4132 1 982 . 1 1 158 158 ALA CA C 13 55.9 0.5 . 1 . . . . . . . . 4132 1 983 . 1 1 158 158 ALA CB C 13 18.5 0.5 . 1 . . . . . . . . 4132 1 984 . 1 1 158 158 ALA N N 15 120.8 0.7 . 1 . . . . . . . . 4132 1 985 . 1 1 159 159 GLN H H 1 7.77 0.02 . 1 . . . . . . . . 4132 1 986 . 1 1 159 159 GLN HA H 1 4.14 0.05 . 1 . . . . . . . . 4132 1 987 . 1 1 159 159 GLN HB2 H 1 2.08 0.05 . 2 . . . . . . . . 4132 1 988 . 1 1 159 159 GLN HG2 H 1 2.40 0.05 . 2 . . . . . . . . 4132 1 989 . 1 1 159 159 GLN CA C 13 59.5 0.5 . 1 . . . . . . . . 4132 1 990 . 1 1 159 159 GLN CB C 13 31.2 0.5 . 1 . . . . . . . . 4132 1 991 . 1 1 159 159 GLN N N 15 119.9 0.7 . 1 . . . . . . . . 4132 1 992 . 1 1 160 160 ALA H H 1 8.37 0.02 . 1 . . . . . . . . 4132 1 993 . 1 1 160 160 ALA HA H 1 4.24 0.05 . 1 . . . . . . . . 4132 1 994 . 1 1 160 160 ALA HB1 H 1 1.57 0.05 . 1 . . . . . . . . 4132 1 995 . 1 1 160 160 ALA HB2 H 1 1.57 0.05 . 1 . . . . . . . . 4132 1 996 . 1 1 160 160 ALA HB3 H 1 1.57 0.05 . 1 . . . . . . . . 4132 1 997 . 1 1 160 160 ALA CA C 13 56.4 0.5 . 1 . . . . . . . . 4132 1 998 . 1 1 160 160 ALA CB C 13 19.0 0.5 . 1 . . . . . . . . 4132 1 999 . 1 1 160 160 ALA N N 15 122.8 0.7 . 1 . . . . . . . . 4132 1 1000 . 1 1 161 161 LYS H H 1 7.43 0.02 . 1 . . . . . . . . 4132 1 1001 . 1 1 161 161 LYS HA H 1 4.05 0.05 . 1 . . . . . . . . 4132 1 1002 . 1 1 161 161 LYS HB2 H 1 1.92 0.05 . 1 . . . . . . . . 4132 1 1003 . 1 1 161 161 LYS CA C 13 58.8 0.5 . 1 . . . . . . . . 4132 1 1004 . 1 1 161 161 LYS CB C 13 32.9 0.5 . 1 . . . . . . . . 4132 1 1005 . 1 1 161 161 LYS N N 15 114.6 0.7 . 1 . . . . . . . . 4132 1 1006 . 1 1 162 162 LYS H H 1 7.61 0.02 . 1 . . . . . . . . 4132 1 1007 . 1 1 162 162 LYS HA H 1 3.93 0.05 . 1 . . . . . . . . 4132 1 1008 . 1 1 162 162 LYS HB2 H 1 1.62 0.05 . 2 . . . . . . . . 4132 1 1009 . 1 1 162 162 LYS CA C 13 59.0 0.5 . 1 . . . . . . . . 4132 1 1010 . 1 1 162 162 LYS CB C 13 32.9 0.5 . 1 . . . . . . . . 4132 1 1011 . 1 1 162 162 LYS N N 15 119.7 0.7 . 1 . . . . . . . . 4132 1 1012 . 1 1 163 163 PHE H H 1 7.40 0.02 . 1 . . . . . . . . 4132 1 1013 . 1 1 163 163 PHE HA H 1 4.89 0.05 . 1 . . . . . . . . 4132 1 1014 . 1 1 163 163 PHE HB2 H 1 3.58 0.05 . 2 . . . . . . . . 4132 1 1015 . 1 1 163 163 PHE CA C 13 57.3 0.5 . 1 . . . . . . . . 4132 1 1016 . 1 1 163 163 PHE CB C 13 38.1 0.5 . 1 . . . . . . . . 4132 1 1017 . 1 1 163 163 PHE N N 15 115.9 0.7 . 1 . . . . . . . . 4132 1 1018 . 1 1 164 164 ALA H H 1 7.17 0.02 . 1 . . . . . . . . 4132 1 1019 . 1 1 164 164 ALA HA H 1 5.01 0.05 . 1 . . . . . . . . 4132 1 1020 . 1 1 164 164 ALA HB1 H 1 1.53 0.05 . 1 . . . . . . . . 4132 1 1021 . 1 1 164 164 ALA HB2 H 1 1.53 0.05 . 1 . . . . . . . . 4132 1 1022 . 1 1 164 164 ALA HB3 H 1 1.53 0.05 . 1 . . . . . . . . 4132 1 1023 . 1 1 164 164 ALA CA C 13 51.5 0.5 . 1 . . . . . . . . 4132 1 1024 . 1 1 164 164 ALA CB C 13 18.7 0.5 . 1 . . . . . . . . 4132 1 1025 . 1 1 164 164 ALA N N 15 126.4 0.7 . 1 . . . . . . . . 4132 1 1026 . 1 1 165 165 PRO HA H 1 4.37 0.05 . 1 . . . . . . . . 4132 1 1027 . 1 1 165 165 PRO HB2 H 1 2.29 0.05 . 2 . . . . . . . . 4132 1 1028 . 1 1 165 165 PRO HB3 H 1 2.01 0.05 . 2 . . . . . . . . 4132 1 1029 . 1 1 165 165 PRO CA C 13 63.7 0.5 . 1 . . . . . . . . 4132 1 1030 . 1 1 165 165 PRO CB C 13 32.5 0.5 . 1 . . . . . . . . 4132 1 1031 . 1 1 166 166 SER H H 1 7.97 0.02 . 1 . . . . . . . . 4132 1 1032 . 1 1 166 166 SER HA H 1 4.26 0.05 . 1 . . . . . . . . 4132 1 1033 . 1 1 166 166 SER HB2 H 1 3.88 0.05 . 2 . . . . . . . . 4132 1 1034 . 1 1 166 166 SER CA C 13 60.4 0.5 . 1 . . . . . . . . 4132 1 1035 . 1 1 166 166 SER CB C 13 65.7 0.5 . 1 . . . . . . . . 4132 1 1036 . 1 1 166 166 SER N N 15 121.1 0.7 . 1 . . . . . . . . 4132 1 stop_ save_