data_11094 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11094 _Entry.Title ; Solution structure of the complex of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of hALK ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-15 _Entry.Accession_date 2010-02-17 _Entry.Last_release_date 2011-02-14 _Entry.Original_release_date 2011-02-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 H. Li . . . 11094 2 S. Koshiba . . . 11094 3 M. Inoue . . . 11094 4 T. Kigawa . . . 11094 5 S. Yokoyama . . . 11094 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'NPPSFA, National Project on Protein Structural and Functional Analyses' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11094 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11094 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 610 11094 '15N chemical shifts' 141 11094 '1H chemical shifts' 1088 11094 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 . . 2011-02-14 2010-02-15 original author . 11094 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11095 'Chemical shift assignments of the chimera of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of hALK' 11094 PDB 2YS5 'BMRB Entry Tracking System' 11094 PDB 2yt2 'Solution structure of the chimera of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of hALK' 11094 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11094 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the complex of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of hALK ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 H. Li . . . 11094 1 2 S. Koshiba . . . 11094 1 3 M. Inoue . . . 11094 1 4 T. Kigawa . . . 11094 1 5 S. Yokoyama . . . 11094 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11094 _Assembly.ID 1 _Assembly.Name 'Fibroblast growth factor receptor substrate 3, ALK tyrosine kinase receptor' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number E.C.2.7.10.1 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PTB domain' 1 $entity_1 A . yes native no no . . . 11094 1 2 'residues in database 1571-1589' 2 $entity_2 B . yes native no no . . . 11094 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2ys5 . . . . . . 11094 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11094 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PTB domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGLNRDSVPDNHPTK FKVTNVDDEGVELGSGVMEL TQSELVLHLHRREAVRWPYL CLRRYGYDSNLFSFESGRRC QTGQGIFAFKCSRAEEIFNL LQDLMQCNSINVMEEPVIIT RNSHPAELDLPRAPQPPNAL GYTVSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11095 . "PTB domain and 19-residue peptide" . . . . . 84.25 153 98.37 98.37 1.26e-82 . . . . 11094 1 2 no PDB 2KUP . "Solution Structure Of The Complex Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" . . . . . 100.00 146 100.00 100.00 2.11e-103 . . . . 11094 1 3 no PDB 2KUQ . "Solution Structure Of The Chimera Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" . . . . . 84.25 153 98.37 98.37 1.26e-82 . . . . 11094 1 4 no PDB 2YS5 . "Solution Structure Of The Complex Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" . . . . . 100.00 146 100.00 100.00 2.11e-103 . . . . 11094 1 5 no PDB 2YT2 . "Solution Structure Of The Chimera Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" . . . . . 84.25 153 98.37 98.37 1.26e-82 . . . . 11094 1 6 no DBJ BAJ20358 . "fibroblast growth factor receptor substrate 3 [synthetic construct]" . . . . . 96.58 492 99.29 99.29 1.15e-93 . . . . 11094 1 7 no EMBL CAG33307 . "FRS3 [Homo sapiens]" . . . . . 96.58 492 99.29 99.29 1.15e-93 . . . . 11094 1 8 no GB AAB92555 . "FGFR signalling adaptor SNT-2 [Homo sapiens]" . . . . . 96.58 492 99.29 99.29 1.15e-93 . . . . 11094 1 9 no GB AAH10611 . "Fibroblast growth factor receptor substrate 3 [Homo sapiens]" . . . . . 96.58 492 99.29 99.29 1.15e-93 . . . . 11094 1 10 no GB AAI46159 . "FRS3 protein [Bos taurus]" . . . . . 96.58 495 98.58 98.58 1.73e-92 . . . . 11094 1 11 no GB ABM83001 . "fibroblast growth factor receptor substrate 3 [synthetic construct]" . . . . . 96.58 492 99.29 99.29 1.15e-93 . . . . 11094 1 12 no GB ABM86194 . "fibroblast growth factor receptor substrate 3 [synthetic construct]" . . . . . 96.58 492 99.29 99.29 1.15e-93 . . . . 11094 1 13 no REF NP_001092388 . "fibroblast growth factor receptor substrate 3 [Bos taurus]" . . . . . 96.58 495 98.58 98.58 1.73e-92 . . . . 11094 1 14 no REF NP_001162219 . "fibroblast growth factor receptor substrate 3 [Papio anubis]" . . . . . 96.58 492 99.29 99.29 9.79e-94 . . . . 11094 1 15 no REF NP_001253120 . "fibroblast growth factor receptor substrate 3 [Macaca mulatta]" . . . . . 96.58 492 99.29 99.29 1.04e-93 . . . . 11094 1 16 no REF NP_006644 . "fibroblast growth factor receptor substrate 3 [Homo sapiens]" . . . . . 96.58 492 99.29 99.29 1.15e-93 . . . . 11094 1 17 no REF XP_001501207 . "PREDICTED: fibroblast growth factor receptor substrate 3 isoform X1 [Equus caballus]" . . . . . 96.58 495 98.58 98.58 4.65e-93 . . . . 11094 1 18 no SP O43559 . "RecName: Full=Fibroblast growth factor receptor substrate 3; Short=FGFR substrate 3; AltName: Full=FGFR-signaling adaptor SNT2;" . . . . . 96.58 492 99.29 99.29 1.15e-93 . . . . 11094 1 19 no TPG DAA16527 . "TPA: fibroblast growth factor receptor substrate 3 [Bos taurus]" . . . . . 96.58 495 98.58 98.58 1.73e-92 . . . . 11094 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 . GLY . 11094 1 2 . SER . 11094 1 3 . SER . 11094 1 4 . GLY . 11094 1 5 . SER . 11094 1 6 . SER . 11094 1 7 . GLY . 11094 1 8 . LEU . 11094 1 9 . ASN . 11094 1 10 . ARG . 11094 1 11 . ASP . 11094 1 12 . SER . 11094 1 13 . VAL . 11094 1 14 . PRO . 11094 1 15 . ASP . 11094 1 16 . ASN . 11094 1 17 . HIS . 11094 1 18 . PRO . 11094 1 19 . THR . 11094 1 20 . LYS . 11094 1 21 . PHE . 11094 1 22 . LYS . 11094 1 23 . VAL . 11094 1 24 . THR . 11094 1 25 . ASN . 11094 1 26 . VAL . 11094 1 27 . ASP . 11094 1 28 . ASP . 11094 1 29 . GLU . 11094 1 30 . GLY . 11094 1 31 . VAL . 11094 1 32 . GLU . 11094 1 33 . LEU . 11094 1 34 . GLY . 11094 1 35 . SER . 11094 1 36 . GLY . 11094 1 37 . VAL . 11094 1 38 . MET . 11094 1 39 . GLU . 11094 1 40 . LEU . 11094 1 41 . THR . 11094 1 42 . GLN . 11094 1 43 . SER . 11094 1 44 . GLU . 11094 1 45 . LEU . 11094 1 46 . VAL . 11094 1 47 . LEU . 11094 1 48 . HIS . 11094 1 49 . LEU . 11094 1 50 . HIS . 11094 1 51 . ARG . 11094 1 52 . ARG . 11094 1 53 . GLU . 11094 1 54 . ALA . 11094 1 55 . VAL . 11094 1 56 . ARG . 11094 1 57 . TRP . 11094 1 58 . PRO . 11094 1 59 . TYR . 11094 1 60 . LEU . 11094 1 61 . CYS . 11094 1 62 . LEU . 11094 1 63 . ARG . 11094 1 64 . ARG . 11094 1 65 . TYR . 11094 1 66 . GLY . 11094 1 67 . TYR . 11094 1 68 . ASP . 11094 1 69 . SER . 11094 1 70 . ASN . 11094 1 71 . LEU . 11094 1 72 . PHE . 11094 1 73 . SER . 11094 1 74 . PHE . 11094 1 75 . GLU . 11094 1 76 . SER . 11094 1 77 . GLY . 11094 1 78 . ARG . 11094 1 79 . ARG . 11094 1 80 . CYS . 11094 1 81 . GLN . 11094 1 82 . THR . 11094 1 83 . GLY . 11094 1 84 . GLN . 11094 1 85 . GLY . 11094 1 86 . ILE . 11094 1 87 . PHE . 11094 1 88 . ALA . 11094 1 89 . PHE . 11094 1 90 . LYS . 11094 1 91 . CYS . 11094 1 92 . SER . 11094 1 93 . ARG . 11094 1 94 . ALA . 11094 1 95 . GLU . 11094 1 96 . GLU . 11094 1 97 . ILE . 11094 1 98 . PHE . 11094 1 99 . ASN . 11094 1 100 . LEU . 11094 1 101 . LEU . 11094 1 102 . GLN . 11094 1 103 . ASP . 11094 1 104 . LEU . 11094 1 105 . MET . 11094 1 106 . GLN . 11094 1 107 . CYS . 11094 1 108 . ASN . 11094 1 109 . SER . 11094 1 110 . ILE . 11094 1 111 . ASN . 11094 1 112 . VAL . 11094 1 113 . MET . 11094 1 114 . GLU . 11094 1 115 . GLU . 11094 1 116 . PRO . 11094 1 117 . VAL . 11094 1 118 . ILE . 11094 1 119 . ILE . 11094 1 120 . THR . 11094 1 121 . ARG . 11094 1 122 . ASN . 11094 1 123 . SER . 11094 1 124 . HIS . 11094 1 125 . PRO . 11094 1 126 . ALA . 11094 1 127 . GLU . 11094 1 128 . LEU . 11094 1 129 . ASP . 11094 1 130 . LEU . 11094 1 131 . PRO . 11094 1 132 . ARG . 11094 1 133 . ALA . 11094 1 134 . PRO . 11094 1 135 . GLN . 11094 1 136 . PRO . 11094 1 137 . PRO . 11094 1 138 . ASN . 11094 1 139 . ALA . 11094 1 140 . LEU . 11094 1 141 . GLY . 11094 1 142 . TYR . 11094 1 143 . THR . 11094 1 144 . VAL . 11094 1 145 . SER . 11094 1 146 . SER . 11094 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 . GLY 1 1 11094 1 . SER 2 2 11094 1 . SER 3 3 11094 1 . GLY 4 4 11094 1 . SER 5 5 11094 1 . SER 6 6 11094 1 . GLY 7 7 11094 1 . LEU 8 8 11094 1 . ASN 9 9 11094 1 . ARG 10 10 11094 1 . ASP 11 11 11094 1 . SER 12 12 11094 1 . VAL 13 13 11094 1 . PRO 14 14 11094 1 . ASP 15 15 11094 1 . ASN 16 16 11094 1 . HIS 17 17 11094 1 . PRO 18 18 11094 1 . THR 19 19 11094 1 . LYS 20 20 11094 1 . PHE 21 21 11094 1 . LYS 22 22 11094 1 . VAL 23 23 11094 1 . THR 24 24 11094 1 . ASN 25 25 11094 1 . VAL 26 26 11094 1 . ASP 27 27 11094 1 . ASP 28 28 11094 1 . GLU 29 29 11094 1 . GLY 30 30 11094 1 . VAL 31 31 11094 1 . GLU 32 32 11094 1 . LEU 33 33 11094 1 . GLY 34 34 11094 1 . SER 35 35 11094 1 . GLY 36 36 11094 1 . VAL 37 37 11094 1 . MET 38 38 11094 1 . GLU 39 39 11094 1 . LEU 40 40 11094 1 . THR 41 41 11094 1 . GLN 42 42 11094 1 . SER 43 43 11094 1 . GLU 44 44 11094 1 . LEU 45 45 11094 1 . VAL 46 46 11094 1 . LEU 47 47 11094 1 . HIS 48 48 11094 1 . LEU 49 49 11094 1 . HIS 50 50 11094 1 . ARG 51 51 11094 1 . ARG 52 52 11094 1 . GLU 53 53 11094 1 . ALA 54 54 11094 1 . VAL 55 55 11094 1 . ARG 56 56 11094 1 . TRP 57 57 11094 1 . PRO 58 58 11094 1 . TYR 59 59 11094 1 . LEU 60 60 11094 1 . CYS 61 61 11094 1 . LEU 62 62 11094 1 . ARG 63 63 11094 1 . ARG 64 64 11094 1 . TYR 65 65 11094 1 . GLY 66 66 11094 1 . TYR 67 67 11094 1 . ASP 68 68 11094 1 . SER 69 69 11094 1 . ASN 70 70 11094 1 . LEU 71 71 11094 1 . PHE 72 72 11094 1 . SER 73 73 11094 1 . PHE 74 74 11094 1 . GLU 75 75 11094 1 . SER 76 76 11094 1 . GLY 77 77 11094 1 . ARG 78 78 11094 1 . ARG 79 79 11094 1 . CYS 80 80 11094 1 . GLN 81 81 11094 1 . THR 82 82 11094 1 . GLY 83 83 11094 1 . GLN 84 84 11094 1 . GLY 85 85 11094 1 . ILE 86 86 11094 1 . PHE 87 87 11094 1 . ALA 88 88 11094 1 . PHE 89 89 11094 1 . LYS 90 90 11094 1 . CYS 91 91 11094 1 . SER 92 92 11094 1 . ARG 93 93 11094 1 . ALA 94 94 11094 1 . GLU 95 95 11094 1 . GLU 96 96 11094 1 . ILE 97 97 11094 1 . PHE 98 98 11094 1 . ASN 99 99 11094 1 . LEU 100 100 11094 1 . LEU 101 101 11094 1 . GLN 102 102 11094 1 . ASP 103 103 11094 1 . LEU 104 104 11094 1 . MET 105 105 11094 1 . GLN 106 106 11094 1 . CYS 107 107 11094 1 . ASN 108 108 11094 1 . SER 109 109 11094 1 . ILE 110 110 11094 1 . ASN 111 111 11094 1 . VAL 112 112 11094 1 . MET 113 113 11094 1 . GLU 114 114 11094 1 . GLU 115 115 11094 1 . PRO 116 116 11094 1 . VAL 117 117 11094 1 . ILE 118 118 11094 1 . ILE 119 119 11094 1 . THR 120 120 11094 1 . ARG 121 121 11094 1 . ASN 122 122 11094 1 . SER 123 123 11094 1 . HIS 124 124 11094 1 . PRO 125 125 11094 1 . ALA 126 126 11094 1 . GLU 127 127 11094 1 . LEU 128 128 11094 1 . ASP 129 129 11094 1 . LEU 130 130 11094 1 . PRO 131 131 11094 1 . ARG 132 132 11094 1 . ALA 133 133 11094 1 . PRO 134 134 11094 1 . GLN 135 135 11094 1 . PRO 136 136 11094 1 . PRO 137 137 11094 1 . ASN 138 138 11094 1 . ALA 139 139 11094 1 . LEU 140 140 11094 1 . GLY 141 141 11094 1 . TYR 142 142 11094 1 . THR 143 143 11094 1 . VAL 144 144 11094 1 . SER 145 145 11094 1 . SER 146 146 11094 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 11094 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'residues in database 1571-1589' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code LFRLRHFPCGNVNYGYQQQ _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-31 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11095 . "PTB domain and 19-residue peptide" . . . . . 100.00 153 100.00 100.00 8.41e-05 . . . . 11094 2 2 no PDB 2KUP . "Solution Structure Of The Complex Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" . . . . . 100.00 19 100.00 100.00 2.47e-04 . . . . 11094 2 3 no PDB 2KUQ . "Solution Structure Of The Chimera Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" . . . . . 100.00 153 100.00 100.00 8.41e-05 . . . . 11094 2 4 no PDB 2YS5 . "Solution Structure Of The Complex Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" . . . . . 100.00 19 100.00 100.00 2.47e-04 . . . . 11094 2 5 no PDB 2YT2 . "Solution Structure Of The Chimera Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" . . . . . 100.00 153 100.00 100.00 8.41e-05 . . . . 11094 2 6 no DBJ BAA08343 . "p80 protein [Homo sapiens]" . . . . . 100.00 680 100.00 100.00 2.06e-05 . . . . 11094 2 7 no DBJ BAD92714 . "anaplastic lymphoma kinase Ki-1 variant, partial [Homo sapiens]" . . . . . 100.00 1626 100.00 100.00 1.69e-05 . . . . 11094 2 8 no DBJ BAF73611 . "fusion protein EML4-ALK variant 1 [Homo sapiens]" . . . . . 100.00 1059 100.00 100.00 1.22e-05 . . . . 11094 2 9 no DBJ BAF73612 . "fusion protein EML4-ALK variant 2 [Homo sapiens]" . . . . . 100.00 1310 100.00 100.00 1.27e-05 . . . . 11094 2 10 no DBJ BAG10812 . "ALK tyrosine kinase receptor precursor [synthetic construct]" . . . . . 100.00 1620 100.00 100.00 1.75e-05 . . . . 11094 2 11 no GB AAA58698 . "nucleophosmin-anaplastic lymphoma kinase fusion protein [Homo sapiens]" . . . . . 100.00 680 100.00 100.00 2.00e-05 . . . . 11094 2 12 no GB AAB71619 . "anaplastic lymphoma kinase [Homo sapiens]" . . . . . 100.00 1620 100.00 100.00 1.67e-05 . . . . 11094 2 13 no GB AAC51104 . "anaplastic lymphoma kinase receptor [Homo sapiens]" . . . . . 100.00 1620 100.00 100.00 1.75e-05 . . . . 11094 2 14 no GB AAF27292 . "TRK-fused gene/anaplastic lymphoma kinase (Ki-1) fusion protein long form [Homo sapiens]" . . . . . 100.00 756 100.00 100.00 1.31e-05 . . . . 11094 2 15 no GB AAF42734 . "TRK-fused gene-anaplastic lymphoma kinase fusion protein [Homo sapiens]" . . . . . 100.00 701 100.00 100.00 2.04e-05 . . . . 11094 2 16 no REF NP_001162572 . "ALK tyrosine kinase receptor precursor [Rattus norvegicus]" . . . . . 100.00 1617 100.00 100.00 1.38e-05 . . . . 11094 2 17 no REF NP_004295 . "ALK tyrosine kinase receptor precursor [Homo sapiens]" . . . . . 100.00 1620 100.00 100.00 1.68e-05 . . . . 11094 2 18 no REF NP_031465 . "ALK tyrosine kinase receptor precursor [Mus musculus]" . . . . . 100.00 1621 100.00 100.00 1.56e-05 . . . . 11094 2 19 no REF XP_001092966 . "PREDICTED: ALK tyrosine kinase receptor [Macaca mulatta]" . . . . . 100.00 442 100.00 100.00 1.72e-05 . . . . 11094 2 20 no REF XP_001500618 . "PREDICTED: LOW QUALITY PROTEIN: ALK tyrosine kinase receptor [Equus caballus]" . . . . . 100.00 1623 100.00 100.00 1.56e-05 . . . . 11094 2 21 no SP P97793 . "RecName: Full=ALK tyrosine kinase receptor; AltName: Full=Anaplastic lymphoma kinase; AltName: CD_antigen=CD246; Flags: Precurs" . . . . . 100.00 1621 100.00 100.00 1.56e-05 . . . . 11094 2 22 no SP Q9UM73 . "RecName: Full=ALK tyrosine kinase receptor; AltName: Full=Anaplastic lymphoma kinase; AltName: CD_antigen=CD246; Flags: Precurs" . . . . . 100.00 1620 100.00 100.00 1.68e-05 . . . . 11094 2 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 1 201 LEU . 11094 2 2 202 PHE . 11094 2 3 203 ARG . 11094 2 4 204 LEU . 11094 2 5 205 ARG . 11094 2 6 206 HIS . 11094 2 7 207 PHE . 11094 2 8 208 PRO . 11094 2 9 209 CYS . 11094 2 10 210 GLY . 11094 2 11 211 ASN . 11094 2 12 212 VAL . 11094 2 13 213 ASN . 11094 2 14 214 TYR . 11094 2 15 215 GLY . 11094 2 16 216 TYR . 11094 2 17 217 GLN . 11094 2 18 218 GLN . 11094 2 19 219 GLN . 11094 2 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 . LEU 1 1 11094 2 . PHE 2 2 11094 2 . ARG 3 3 11094 2 . LEU 4 4 11094 2 . ARG 5 5 11094 2 . HIS 6 6 11094 2 . PHE 7 7 11094 2 . PRO 8 8 11094 2 . CYS 9 9 11094 2 . GLY 10 10 11094 2 . ASN 11 11 11094 2 . VAL 12 12 11094 2 . ASN 13 13 11094 2 . TYR 14 14 11094 2 . GLY 15 15 11094 2 . TYR 16 16 11094 2 . GLN 17 17 11094 2 . GLN 18 18 11094 2 . GLN 19 19 11094 2 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 11094 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11094 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11094 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 11094 _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 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P060320-18 . . . . . . 11094 1 2 2 $entity_2 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P060320-18 . . . . . . 11094 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11094 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.37mM SNT-2 PTB domain [U-15N, 13C] in complex with hALK peptide (1:1), 20mM d-Tris-HCl, 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PTB domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.37 . . mM . . . . 11094 1 2 'hALK peptide' 'natural abundance' . . 2 $entity_2 . protein 0.37 . . mM . . . . 11094 1 3 TRIS [U-2H] . . . . . buffer 20 . . mM . . . . 11094 1 4 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11094 1 5 DTT [U-2H] . . . . . salt 1 . . mM . . . . 11094 1 6 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11094 1 7 H2O . . . . . . solvent 90 . . % . . . . 11094 1 8 D2O . . . . . . solvent 10 . . % . . . . 11094 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11094 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11094 1 pH 7.0 0.05 pH 11094 1 pressure 1 0.001 atm 11094 1 temperature 298 0.1 K 11094 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11094 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11094 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11094 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11094 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11094 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11094 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11094 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11094 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11094 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11094 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11094 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11094 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11094 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11094 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11094 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11094 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 11094 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11094 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 11094 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11094 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11094 1 3 '3D 13C,15N-F1 FILTERED 13C-EDITED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11094 1 4 '3D 13C,15N-F1 FILTERED 15N-EDITED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11094 1 5 '2D F2-13C FILTERED NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11094 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11094 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11094 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11094 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11094 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11094 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11094 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11094 1 3 '3D 13C,15N-F1 FILTERED 13C-EDITED NOESY' 1 $sample_1 isotropic 11094 1 4 '3D 13C,15N-F1 FILTERED 15N-EDITED NOESY' 1 $sample_1 isotropic 11094 1 5 '2D F2-13C FILTERED NOESY' 1 $sample_1 isotropic 11094 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11094 1 2 $NMRPipe . . 11094 1 3 $NMRVIEW . . 11094 1 4 $Kujira . . 11094 1 5 $CYANA . . 11094 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 7 7 GLY HA2 H 1 3.923 0.030 . 1 . . . . 7 GLY HA2 . 11094 1 2 . 1 1 7 7 GLY HA3 H 1 3.923 0.030 . 1 . . . . 7 GLY HA3 . 11094 1 3 . 1 1 7 7 GLY C C 13 173.966 0.300 . 1 . . . . 7 GLY C . 11094 1 4 . 1 1 7 7 GLY CA C 13 45.321 0.300 . 1 . . . . 7 GLY CA . 11094 1 5 . 1 1 8 8 LEU H H 1 8.093 0.030 . 1 . . . . 8 LEU H . 11094 1 6 . 1 1 8 8 LEU HA H 1 4.223 0.030 . 1 . . . . 8 LEU HA . 11094 1 7 . 1 1 8 8 LEU HB2 H 1 1.452 0.030 . 1 . . . . 8 LEU HB2 . 11094 1 8 . 1 1 8 8 LEU HB3 H 1 1.452 0.030 . 1 . . . . 8 LEU HB3 . 11094 1 9 . 1 1 8 8 LEU HD11 H 1 0.762 0.030 . 1 . . . . 8 LEU HD1 . 11094 1 10 . 1 1 8 8 LEU HD12 H 1 0.762 0.030 . 1 . . . . 8 LEU HD1 . 11094 1 11 . 1 1 8 8 LEU HD13 H 1 0.762 0.030 . 1 . . . . 8 LEU HD1 . 11094 1 12 . 1 1 8 8 LEU HD21 H 1 0.707 0.030 . 1 . . . . 8 LEU HD2 . 11094 1 13 . 1 1 8 8 LEU HD22 H 1 0.707 0.030 . 1 . . . . 8 LEU HD2 . 11094 1 14 . 1 1 8 8 LEU HD23 H 1 0.707 0.030 . 1 . . . . 8 LEU HD2 . 11094 1 15 . 1 1 8 8 LEU HG H 1 1.570 0.030 . 1 . . . . 8 LEU HG . 11094 1 16 . 1 1 8 8 LEU C C 13 176.878 0.300 . 1 . . . . 8 LEU C . 11094 1 17 . 1 1 8 8 LEU CA C 13 55.189 0.300 . 1 . . . . 8 LEU CA . 11094 1 18 . 1 1 8 8 LEU CB C 13 42.444 0.300 . 1 . . . . 8 LEU CB . 11094 1 19 . 1 1 8 8 LEU CD1 C 13 24.614 0.300 . 2 . . . . 8 LEU CD1 . 11094 1 20 . 1 1 8 8 LEU CD2 C 13 23.594 0.300 . 2 . . . . 8 LEU CD2 . 11094 1 21 . 1 1 8 8 LEU CG C 13 26.991 0.300 . 1 . . . . 8 LEU CG . 11094 1 22 . 1 1 8 8 LEU N N 15 121.558 0.300 . 1 . . . . 8 LEU N . 11094 1 23 . 1 1 9 9 ASN H H 1 8.449 0.030 . 1 . . . . 9 ASN H . 11094 1 24 . 1 1 9 9 ASN HA H 1 4.545 0.030 . 1 . . . . 9 ASN HA . 11094 1 25 . 1 1 9 9 ASN HB2 H 1 2.758 0.030 . 2 . . . . 9 ASN HB2 . 11094 1 26 . 1 1 9 9 ASN C C 13 175.566 0.300 . 1 . . . . 9 ASN C . 11094 1 27 . 1 1 9 9 ASN CA C 13 53.101 0.300 . 1 . . . . 9 ASN CA . 11094 1 28 . 1 1 9 9 ASN CB C 13 38.746 0.300 . 1 . . . . 9 ASN CB . 11094 1 29 . 1 1 9 9 ASN N N 15 120.042 0.300 . 1 . . . . 9 ASN N . 11094 1 30 . 1 1 10 10 ARG H H 1 8.465 0.030 . 1 . . . . 10 ARG H . 11094 1 31 . 1 1 10 10 ARG HA H 1 4.081 0.030 . 1 . . . . 10 ARG HA . 11094 1 32 . 1 1 10 10 ARG HB2 H 1 1.692 0.030 . 2 . . . . 10 ARG HB2 . 11094 1 33 . 1 1 10 10 ARG HB3 H 1 1.772 0.030 . 2 . . . . 10 ARG HB3 . 11094 1 34 . 1 1 10 10 ARG C C 13 176.175 0.300 . 1 . . . . 10 ARG C . 11094 1 35 . 1 1 10 10 ARG CA C 13 57.590 0.300 . 1 . . . . 10 ARG CA . 11094 1 36 . 1 1 10 10 ARG CB C 13 30.485 0.300 . 1 . . . . 10 ARG CB . 11094 1 37 . 1 1 10 10 ARG CD C 13 43.432 0.300 . 1 . . . . 10 ARG CD . 11094 1 38 . 1 1 10 10 ARG CG C 13 27.073 0.300 . 1 . . . . 10 ARG CG . 11094 1 39 . 1 1 10 10 ARG N N 15 122.174 0.300 . 1 . . . . 10 ARG N . 11094 1 40 . 1 1 11 11 ASP H H 1 8.261 0.030 . 1 . . . . 11 ASP H . 11094 1 41 . 1 1 11 11 ASP HA H 1 4.508 0.030 . 1 . . . . 11 ASP HA . 11094 1 42 . 1 1 11 11 ASP HB2 H 1 2.646 0.030 . 2 . . . . 11 ASP HB2 . 11094 1 43 . 1 1 11 11 ASP HB3 H 1 2.533 0.030 . 2 . . . . 11 ASP HB3 . 11094 1 44 . 1 1 11 11 ASP C C 13 176.277 0.300 . 1 . . . . 11 ASP C . 11094 1 45 . 1 1 11 11 ASP CA C 13 54.660 0.300 . 1 . . . . 11 ASP CA . 11094 1 46 . 1 1 11 11 ASP CB C 13 40.801 0.300 . 1 . . . . 11 ASP CB . 11094 1 47 . 1 1 11 11 ASP N N 15 119.339 0.300 . 1 . . . . 11 ASP N . 11094 1 48 . 1 1 12 12 SER H H 1 7.986 0.030 . 1 . . . . 12 SER H . 11094 1 49 . 1 1 12 12 SER HA H 1 4.345 0.030 . 1 . . . . 12 SER HA . 11094 1 50 . 1 1 12 12 SER HB2 H 1 3.791 0.030 . 1 . . . . 12 SER HB2 . 11094 1 51 . 1 1 12 12 SER HB3 H 1 3.791 0.030 . 1 . . . . 12 SER HB3 . 11094 1 52 . 1 1 12 12 SER C C 13 174.105 0.300 . 1 . . . . 12 SER C . 11094 1 53 . 1 1 12 12 SER CA C 13 58.370 0.300 . 1 . . . . 12 SER CA . 11094 1 54 . 1 1 12 12 SER CB C 13 63.778 0.300 . 1 . . . . 12 SER CB . 11094 1 55 . 1 1 12 12 SER N N 15 115.334 0.300 . 1 . . . . 12 SER N . 11094 1 56 . 1 1 13 13 VAL H H 1 7.943 0.030 . 1 . . . . 13 VAL H . 11094 1 57 . 1 1 13 13 VAL HA H 1 4.353 0.030 . 1 . . . . 13 VAL HA . 11094 1 58 . 1 1 13 13 VAL HB H 1 1.893 0.030 . 1 . . . . 13 VAL HB . 11094 1 59 . 1 1 13 13 VAL HG11 H 1 0.742 0.030 . 1 . . . . 13 VAL HG1 . 11094 1 60 . 1 1 13 13 VAL HG12 H 1 0.742 0.030 . 1 . . . . 13 VAL HG1 . 11094 1 61 . 1 1 13 13 VAL HG13 H 1 0.742 0.030 . 1 . . . . 13 VAL HG1 . 11094 1 62 . 1 1 13 13 VAL HG21 H 1 0.752 0.030 . 1 . . . . 13 VAL HG2 . 11094 1 63 . 1 1 13 13 VAL HG22 H 1 0.752 0.030 . 1 . . . . 13 VAL HG2 . 11094 1 64 . 1 1 13 13 VAL HG23 H 1 0.752 0.030 . 1 . . . . 13 VAL HG2 . 11094 1 65 . 1 1 13 13 VAL C C 13 173.655 0.300 . 1 . . . . 13 VAL C . 11094 1 66 . 1 1 13 13 VAL CA C 13 59.406 0.300 . 1 . . . . 13 VAL CA . 11094 1 67 . 1 1 13 13 VAL CB C 13 33.156 0.300 . 1 . . . . 13 VAL CB . 11094 1 68 . 1 1 13 13 VAL CG1 C 13 21.058 0.300 . 2 . . . . 13 VAL CG1 . 11094 1 69 . 1 1 13 13 VAL CG2 C 13 21.058 0.300 . 2 . . . . 13 VAL CG2 . 11094 1 70 . 1 1 13 13 VAL N N 15 123.629 0.300 . 1 . . . . 13 VAL N . 11094 1 71 . 1 1 14 14 PRO HA H 1 4.497 0.030 . 1 . . . . 14 PRO HA . 11094 1 72 . 1 1 14 14 PRO HB2 H 1 2.389 0.030 . 2 . . . . 14 PRO HB2 . 11094 1 73 . 1 1 14 14 PRO HB3 H 1 1.973 0.030 . 2 . . . . 14 PRO HB3 . 11094 1 74 . 1 1 14 14 PRO HD2 H 1 3.959 0.030 . 2 . . . . 14 PRO HD2 . 11094 1 75 . 1 1 14 14 PRO HD3 H 1 3.653 0.030 . 2 . . . . 14 PRO HD3 . 11094 1 76 . 1 1 14 14 PRO HG2 H 1 2.062 0.030 . 1 . . . . 14 PRO HG2 . 11094 1 77 . 1 1 14 14 PRO HG3 H 1 2.062 0.030 . 1 . . . . 14 PRO HG3 . 11094 1 78 . 1 1 14 14 PRO CA C 13 62.743 0.300 . 1 . . . . 14 PRO CA . 11094 1 79 . 1 1 14 14 PRO CB C 13 32.649 0.300 . 1 . . . . 14 PRO CB . 11094 1 80 . 1 1 14 14 PRO CD C 13 51.173 0.300 . 1 . . . . 14 PRO CD . 11094 1 81 . 1 1 14 14 PRO CG C 13 27.649 0.300 . 1 . . . . 14 PRO CG . 11094 1 82 . 1 1 15 15 ASP H H 1 8.099 0.030 . 1 . . . . 15 ASP H . 11094 1 83 . 1 1 15 15 ASP HA H 1 4.364 0.030 . 1 . . . . 15 ASP HA . 11094 1 84 . 1 1 15 15 ASP HB2 H 1 2.525 0.030 . 2 . . . . 15 ASP HB2 . 11094 1 85 . 1 1 15 15 ASP HB3 H 1 2.748 0.030 . 2 . . . . 15 ASP HB3 . 11094 1 86 . 1 1 15 15 ASP C C 13 174.794 0.300 . 1 . . . . 15 ASP C . 11094 1 87 . 1 1 15 15 ASP CA C 13 56.245 0.300 . 1 . . . . 15 ASP CA . 11094 1 88 . 1 1 15 15 ASP CB C 13 40.744 0.300 . 1 . . . . 15 ASP CB . 11094 1 89 . 1 1 16 16 ASN H H 1 7.828 0.030 . 1 . . . . 16 ASN H . 11094 1 90 . 1 1 16 16 ASN HA H 1 4.582 0.030 . 1 . . . . 16 ASN HA . 11094 1 91 . 1 1 16 16 ASN HB2 H 1 2.920 0.030 . 2 . . . . 16 ASN HB2 . 11094 1 92 . 1 1 16 16 ASN HB3 H 1 2.616 0.030 . 2 . . . . 16 ASN HB3 . 11094 1 93 . 1 1 16 16 ASN HD21 H 1 7.562 0.030 . 2 . . . . 16 ASN HD21 . 11094 1 94 . 1 1 16 16 ASN HD22 H 1 6.743 0.030 . 2 . . . . 16 ASN HD22 . 11094 1 95 . 1 1 16 16 ASN C C 13 175.255 0.300 . 1 . . . . 16 ASN C . 11094 1 96 . 1 1 16 16 ASN CA C 13 51.573 0.300 . 1 . . . . 16 ASN CA . 11094 1 97 . 1 1 16 16 ASN CB C 13 37.894 0.300 . 1 . . . . 16 ASN CB . 11094 1 98 . 1 1 16 16 ASN N N 15 114.728 0.300 . 1 . . . . 16 ASN N . 11094 1 99 . 1 1 16 16 ASN ND2 N 15 111.202 0.300 . 1 . . . . 16 ASN ND2 . 11094 1 100 . 1 1 17 17 HIS H H 1 7.473 0.030 . 1 . . . . 17 HIS H . 11094 1 101 . 1 1 17 17 HIS HA H 1 4.254 0.030 . 1 . . . . 17 HIS HA . 11094 1 102 . 1 1 17 17 HIS HB2 H 1 3.342 0.030 . 2 . . . . 17 HIS HB2 . 11094 1 103 . 1 1 17 17 HIS HB3 H 1 2.869 0.030 . 2 . . . . 17 HIS HB3 . 11094 1 104 . 1 1 17 17 HIS HD2 H 1 6.985 0.030 . 1 . . . . 17 HIS HD2 . 11094 1 105 . 1 1 17 17 HIS HE1 H 1 7.773 0.030 . 1 . . . . 17 HIS HE1 . 11094 1 106 . 1 1 17 17 HIS C C 13 175.400 0.300 . 1 . . . . 17 HIS C . 11094 1 107 . 1 1 17 17 HIS CA C 13 56.721 0.300 . 1 . . . . 17 HIS CA . 11094 1 108 . 1 1 17 17 HIS CB C 13 31.137 0.300 . 1 . . . . 17 HIS CB . 11094 1 109 . 1 1 17 17 HIS CD2 C 13 117.435 0.300 . 1 . . . . 17 HIS CD2 . 11094 1 110 . 1 1 17 17 HIS CE1 C 13 139.497 0.300 . 1 . . . . 17 HIS CE1 . 11094 1 111 . 1 1 17 17 HIS N N 15 123.742 0.300 . 1 . . . . 17 HIS N . 11094 1 112 . 1 1 18 18 PRO HA H 1 4.160 0.030 . 1 . . . . 18 PRO HA . 11094 1 113 . 1 1 18 18 PRO HB2 H 1 1.893 0.030 . 2 . . . . 18 PRO HB2 . 11094 1 114 . 1 1 18 18 PRO HB3 H 1 2.253 0.030 . 2 . . . . 18 PRO HB3 . 11094 1 115 . 1 1 18 18 PRO HD2 H 1 2.370 0.030 . 2 . . . . 18 PRO HD2 . 11094 1 116 . 1 1 18 18 PRO HD3 H 1 3.367 0.030 . 2 . . . . 18 PRO HD3 . 11094 1 117 . 1 1 18 18 PRO HG2 H 1 1.745 0.030 . 2 . . . . 18 PRO HG2 . 11094 1 118 . 1 1 18 18 PRO HG3 H 1 1.810 0.030 . 2 . . . . 18 PRO HG3 . 11094 1 119 . 1 1 18 18 PRO C C 13 177.299 0.300 . 1 . . . . 18 PRO C . 11094 1 120 . 1 1 18 18 PRO CA C 13 64.888 0.300 . 1 . . . . 18 PRO CA . 11094 1 121 . 1 1 18 18 PRO CB C 13 32.784 0.300 . 1 . . . . 18 PRO CB . 11094 1 122 . 1 1 18 18 PRO CD C 13 50.298 0.300 . 1 . . . . 18 PRO CD . 11094 1 123 . 1 1 18 18 PRO CG C 13 27.324 0.300 . 1 . . . . 18 PRO CG . 11094 1 124 . 1 1 19 19 THR H H 1 9.502 0.030 . 1 . . . . 19 THR H . 11094 1 125 . 1 1 19 19 THR HA H 1 4.633 0.030 . 1 . . . . 19 THR HA . 11094 1 126 . 1 1 19 19 THR HB H 1 4.982 0.030 . 1 . . . . 19 THR HB . 11094 1 127 . 1 1 19 19 THR HG21 H 1 1.132 0.030 . 1 . . . . 19 THR HG2 . 11094 1 128 . 1 1 19 19 THR HG22 H 1 1.132 0.030 . 1 . . . . 19 THR HG2 . 11094 1 129 . 1 1 19 19 THR HG23 H 1 1.132 0.030 . 1 . . . . 19 THR HG2 . 11094 1 130 . 1 1 19 19 THR C C 13 172.585 0.300 . 1 . . . . 19 THR C . 11094 1 131 . 1 1 19 19 THR CA C 13 61.373 0.300 . 1 . . . . 19 THR CA . 11094 1 132 . 1 1 19 19 THR CB C 13 70.356 0.300 . 1 . . . . 19 THR CB . 11094 1 133 . 1 1 19 19 THR CG2 C 13 22.634 0.300 . 1 . . . . 19 THR CG2 . 11094 1 134 . 1 1 19 19 THR N N 15 106.075 0.300 . 1 . . . . 19 THR N . 11094 1 135 . 1 1 20 20 LYS H H 1 7.072 0.030 . 1 . . . . 20 LYS H . 11094 1 136 . 1 1 20 20 LYS HA H 1 4.971 0.030 . 1 . . . . 20 LYS HA . 11094 1 137 . 1 1 20 20 LYS HB2 H 1 0.684 0.030 . 2 . . . . 20 LYS HB2 . 11094 1 138 . 1 1 20 20 LYS HB3 H 1 0.926 0.030 . 2 . . . . 20 LYS HB3 . 11094 1 139 . 1 1 20 20 LYS HD2 H 1 0.528 0.030 . 2 . . . . 20 LYS HD2 . 11094 1 140 . 1 1 20 20 LYS HD3 H 1 0.980 0.030 . 2 . . . . 20 LYS HD3 . 11094 1 141 . 1 1 20 20 LYS HE2 H 1 2.418 0.030 . 2 . . . . 20 LYS HE2 . 11094 1 142 . 1 1 20 20 LYS HE3 H 1 2.322 0.030 . 2 . . . . 20 LYS HE3 . 11094 1 143 . 1 1 20 20 LYS HG2 H 1 1.915 0.030 . 2 . . . . 20 LYS HG2 . 11094 1 144 . 1 1 20 20 LYS HG3 H 1 1.763 0.030 . 2 . . . . 20 LYS HG3 . 11094 1 145 . 1 1 20 20 LYS C C 13 174.459 0.300 . 1 . . . . 20 LYS C . 11094 1 146 . 1 1 20 20 LYS CA C 13 55.402 0.300 . 1 . . . . 20 LYS CA . 11094 1 147 . 1 1 20 20 LYS CB C 13 35.499 0.300 . 1 . . . . 20 LYS CB . 11094 1 148 . 1 1 20 20 LYS CD C 13 29.561 0.300 . 1 . . . . 20 LYS CD . 11094 1 149 . 1 1 20 20 LYS CE C 13 41.930 0.300 . 1 . . . . 20 LYS CE . 11094 1 150 . 1 1 20 20 LYS CG C 13 27.560 0.300 . 1 . . . . 20 LYS CG . 11094 1 151 . 1 1 20 20 LYS N N 15 121.175 0.300 . 1 . . . . 20 LYS N . 11094 1 152 . 1 1 21 21 PHE H H 1 9.089 0.030 . 1 . . . . 21 PHE H . 11094 1 153 . 1 1 21 21 PHE HA H 1 4.447 0.030 . 1 . . . . 21 PHE HA . 11094 1 154 . 1 1 21 21 PHE HB2 H 1 2.737 0.030 . 2 . . . . 21 PHE HB2 . 11094 1 155 . 1 1 21 21 PHE HB3 H 1 2.549 0.030 . 2 . . . . 21 PHE HB3 . 11094 1 156 . 1 1 21 21 PHE HD1 H 1 6.862 0.030 . 1 . . . . 21 PHE HD1 . 11094 1 157 . 1 1 21 21 PHE HD2 H 1 6.862 0.030 . 1 . . . . 21 PHE HD2 . 11094 1 158 . 1 1 21 21 PHE HE1 H 1 6.850 0.030 . 1 . . . . 21 PHE HE1 . 11094 1 159 . 1 1 21 21 PHE HE2 H 1 6.850 0.030 . 1 . . . . 21 PHE HE2 . 11094 1 160 . 1 1 21 21 PHE HZ H 1 6.884 0.030 . 1 . . . . 21 PHE HZ . 11094 1 161 . 1 1 21 21 PHE C C 13 175.314 0.300 . 1 . . . . 21 PHE C . 11094 1 162 . 1 1 21 21 PHE CA C 13 56.333 0.300 . 1 . . . . 21 PHE CA . 11094 1 163 . 1 1 21 21 PHE CB C 13 42.662 0.300 . 1 . . . . 21 PHE CB . 11094 1 164 . 1 1 21 21 PHE CD1 C 13 132.259 0.300 . 1 . . . . 21 PHE CD1 . 11094 1 165 . 1 1 21 21 PHE CD2 C 13 132.259 0.300 . 1 . . . . 21 PHE CD2 . 11094 1 166 . 1 1 21 21 PHE CE1 C 13 130.388 0.300 . 1 . . . . 21 PHE CE1 . 11094 1 167 . 1 1 21 21 PHE CE2 C 13 130.388 0.300 . 1 . . . . 21 PHE CE2 . 11094 1 168 . 1 1 21 21 PHE CZ C 13 129.210 0.300 . 1 . . . . 21 PHE CZ . 11094 1 169 . 1 1 21 21 PHE N N 15 120.042 0.300 . 1 . . . . 21 PHE N . 11094 1 170 . 1 1 22 22 LYS H H 1 9.518 0.030 . 1 . . . . 22 LYS H . 11094 1 171 . 1 1 22 22 LYS HA H 1 4.552 0.030 . 1 . . . . 22 LYS HA . 11094 1 172 . 1 1 22 22 LYS HB2 H 1 1.883 0.030 . 2 . . . . 22 LYS HB2 . 11094 1 173 . 1 1 22 22 LYS HB3 H 1 1.954 0.030 . 2 . . . . 22 LYS HB3 . 11094 1 174 . 1 1 22 22 LYS HD2 H 1 1.723 0.030 . 1 . . . . 22 LYS HD2 . 11094 1 175 . 1 1 22 22 LYS HD3 H 1 1.723 0.030 . 1 . . . . 22 LYS HD3 . 11094 1 176 . 1 1 22 22 LYS HE2 H 1 2.860 0.030 . 2 . . . . 22 LYS HE2 . 11094 1 177 . 1 1 22 22 LYS HE3 H 1 2.932 0.030 . 2 . . . . 22 LYS HE3 . 11094 1 178 . 1 1 22 22 LYS HG2 H 1 1.341 0.030 . 2 . . . . 22 LYS HG2 . 11094 1 179 . 1 1 22 22 LYS HG3 H 1 1.570 0.030 . 2 . . . . 22 LYS HG3 . 11094 1 180 . 1 1 22 22 LYS C C 13 176.394 0.300 . 1 . . . . 22 LYS C . 11094 1 181 . 1 1 22 22 LYS CA C 13 57.983 0.300 . 1 . . . . 22 LYS CA . 11094 1 182 . 1 1 22 22 LYS CB C 13 31.430 0.300 . 1 . . . . 22 LYS CB . 11094 1 183 . 1 1 22 22 LYS CD C 13 29.253 0.300 . 1 . . . . 22 LYS CD . 11094 1 184 . 1 1 22 22 LYS CE C 13 42.650 0.300 . 1 . . . . 22 LYS CE . 11094 1 185 . 1 1 22 22 LYS CG C 13 26.100 0.300 . 1 . . . . 22 LYS CG . 11094 1 186 . 1 1 22 22 LYS N N 15 126.478 0.300 . 1 . . . . 22 LYS N . 11094 1 187 . 1 1 23 23 VAL H H 1 8.365 0.030 . 1 . . . . 23 VAL H . 11094 1 188 . 1 1 23 23 VAL HA H 1 5.487 0.030 . 1 . . . . 23 VAL HA . 11094 1 189 . 1 1 23 23 VAL HB H 1 2.279 0.030 . 1 . . . . 23 VAL HB . 11094 1 190 . 1 1 23 23 VAL HG11 H 1 0.820 0.030 . 1 . . . . 23 VAL HG1 . 11094 1 191 . 1 1 23 23 VAL HG12 H 1 0.820 0.030 . 1 . . . . 23 VAL HG1 . 11094 1 192 . 1 1 23 23 VAL HG13 H 1 0.820 0.030 . 1 . . . . 23 VAL HG1 . 11094 1 193 . 1 1 23 23 VAL HG21 H 1 0.578 0.030 . 1 . . . . 23 VAL HG2 . 11094 1 194 . 1 1 23 23 VAL HG22 H 1 0.578 0.030 . 1 . . . . 23 VAL HG2 . 11094 1 195 . 1 1 23 23 VAL HG23 H 1 0.578 0.030 . 1 . . . . 23 VAL HG2 . 11094 1 196 . 1 1 23 23 VAL C C 13 175.405 0.300 . 1 . . . . 23 VAL C . 11094 1 197 . 1 1 23 23 VAL CA C 13 58.914 0.300 . 1 . . . . 23 VAL CA . 11094 1 198 . 1 1 23 23 VAL CB C 13 37.165 0.300 . 1 . . . . 23 VAL CB . 11094 1 199 . 1 1 23 23 VAL CG1 C 13 21.237 0.300 . 2 . . . . 23 VAL CG1 . 11094 1 200 . 1 1 23 23 VAL CG2 C 13 19.067 0.300 . 2 . . . . 23 VAL CG2 . 11094 1 201 . 1 1 23 23 VAL N N 15 116.055 0.300 . 1 . . . . 23 VAL N . 11094 1 202 . 1 1 24 24 THR H H 1 8.490 0.030 . 1 . . . . 24 THR H . 11094 1 203 . 1 1 24 24 THR HA H 1 5.098 0.030 . 1 . . . . 24 THR HA . 11094 1 204 . 1 1 24 24 THR HB H 1 3.854 0.030 . 1 . . . . 24 THR HB . 11094 1 205 . 1 1 24 24 THR HG21 H 1 1.202 0.030 . 1 . . . . 24 THR HG2 . 11094 1 206 . 1 1 24 24 THR HG22 H 1 1.202 0.030 . 1 . . . . 24 THR HG2 . 11094 1 207 . 1 1 24 24 THR HG23 H 1 1.202 0.030 . 1 . . . . 24 THR HG2 . 11094 1 208 . 1 1 24 24 THR C C 13 174.398 0.300 . 1 . . . . 24 THR C . 11094 1 209 . 1 1 24 24 THR CA C 13 61.485 0.300 . 1 . . . . 24 THR CA . 11094 1 210 . 1 1 24 24 THR CB C 13 72.279 0.300 . 1 . . . . 24 THR CB . 11094 1 211 . 1 1 24 24 THR CG2 C 13 21.812 0.300 . 1 . . . . 24 THR CG2 . 11094 1 212 . 1 1 24 24 THR N N 15 116.261 0.300 . 1 . . . . 24 THR N . 11094 1 213 . 1 1 25 25 ASN H H 1 9.388 0.030 . 1 . . . . 25 ASN H . 11094 1 214 . 1 1 25 25 ASN HA H 1 4.569 0.030 . 1 . . . . 25 ASN HA . 11094 1 215 . 1 1 25 25 ASN HB2 H 1 2.872 0.030 . 2 . . . . 25 ASN HB2 . 11094 1 216 . 1 1 25 25 ASN HB3 H 1 2.780 0.030 . 2 . . . . 25 ASN HB3 . 11094 1 217 . 1 1 25 25 ASN HD21 H 1 6.057 0.030 . 2 . . . . 25 ASN HD21 . 11094 1 218 . 1 1 25 25 ASN HD22 H 1 7.809 0.030 . 2 . . . . 25 ASN HD22 . 11094 1 219 . 1 1 25 25 ASN C C 13 172.596 0.300 . 1 . . . . 25 ASN C . 11094 1 220 . 1 1 25 25 ASN CA C 13 54.858 0.300 . 1 . . . . 25 ASN CA . 11094 1 221 . 1 1 25 25 ASN CB C 13 40.817 0.300 . 1 . . . . 25 ASN CB . 11094 1 222 . 1 1 25 25 ASN N N 15 127.592 0.300 . 1 . . . . 25 ASN N . 11094 1 223 . 1 1 25 25 ASN ND2 N 15 111.773 0.300 . 1 . . . . 25 ASN ND2 . 11094 1 224 . 1 1 26 26 VAL H H 1 7.297 0.030 . 1 . . . . 26 VAL H . 11094 1 225 . 1 1 26 26 VAL HA H 1 5.542 0.030 . 1 . . . . 26 VAL HA . 11094 1 226 . 1 1 26 26 VAL HB H 1 1.714 0.030 . 1 . . . . 26 VAL HB . 11094 1 227 . 1 1 26 26 VAL HG11 H 1 0.700 0.030 . 1 . . . . 26 VAL HG1 . 11094 1 228 . 1 1 26 26 VAL HG12 H 1 0.700 0.030 . 1 . . . . 26 VAL HG1 . 11094 1 229 . 1 1 26 26 VAL HG13 H 1 0.700 0.030 . 1 . . . . 26 VAL HG1 . 11094 1 230 . 1 1 26 26 VAL HG21 H 1 0.539 0.030 . 1 . . . . 26 VAL HG2 . 11094 1 231 . 1 1 26 26 VAL HG22 H 1 0.539 0.030 . 1 . . . . 26 VAL HG2 . 11094 1 232 . 1 1 26 26 VAL HG23 H 1 0.539 0.030 . 1 . . . . 26 VAL HG2 . 11094 1 233 . 1 1 26 26 VAL C C 13 174.069 0.300 . 1 . . . . 26 VAL C . 11094 1 234 . 1 1 26 26 VAL CA C 13 58.340 0.300 . 1 . . . . 26 VAL CA . 11094 1 235 . 1 1 26 26 VAL CB C 13 36.507 0.300 . 1 . . . . 26 VAL CB . 11094 1 236 . 1 1 26 26 VAL CG1 C 13 21.771 0.300 . 2 . . . . 26 VAL CG1 . 11094 1 237 . 1 1 26 26 VAL CG2 C 13 18.086 0.300 . 2 . . . . 26 VAL CG2 . 11094 1 238 . 1 1 26 26 VAL N N 15 115.957 0.300 . 1 . . . . 26 VAL N . 11094 1 239 . 1 1 27 27 ASP H H 1 7.183 0.030 . 1 . . . . 27 ASP H . 11094 1 240 . 1 1 27 27 ASP HA H 1 4.100 0.030 . 1 . . . . 27 ASP HA . 11094 1 241 . 1 1 27 27 ASP HB2 H 1 1.660 0.030 . 2 . . . . 27 ASP HB2 . 11094 1 242 . 1 1 27 27 ASP HB3 H 1 1.459 0.030 . 2 . . . . 27 ASP HB3 . 11094 1 243 . 1 1 27 27 ASP C C 13 178.066 0.300 . 1 . . . . 27 ASP C . 11094 1 244 . 1 1 27 27 ASP CA C 13 51.626 0.300 . 1 . . . . 27 ASP CA . 11094 1 245 . 1 1 27 27 ASP CB C 13 40.239 0.300 . 1 . . . . 27 ASP CB . 11094 1 246 . 1 1 27 27 ASP N N 15 117.463 0.300 . 1 . . . . 27 ASP N . 11094 1 247 . 1 1 28 28 ASP H H 1 7.060 0.030 . 1 . . . . 28 ASP H . 11094 1 248 . 1 1 28 28 ASP HA H 1 4.108 0.030 . 1 . . . . 28 ASP HA . 11094 1 249 . 1 1 28 28 ASP HB2 H 1 2.638 0.030 . 2 . . . . 28 ASP HB2 . 11094 1 250 . 1 1 28 28 ASP HB3 H 1 2.556 0.030 . 2 . . . . 28 ASP HB3 . 11094 1 251 . 1 1 28 28 ASP C C 13 176.993 0.300 . 1 . . . . 28 ASP C . 11094 1 252 . 1 1 28 28 ASP CA C 13 57.024 0.300 . 1 . . . . 28 ASP CA . 11094 1 253 . 1 1 28 28 ASP CB C 13 41.589 0.300 . 1 . . . . 28 ASP CB . 11094 1 254 . 1 1 28 28 ASP N N 15 114.155 0.300 . 1 . . . . 28 ASP N . 11094 1 255 . 1 1 29 29 GLU H H 1 7.963 0.030 . 1 . . . . 29 GLU H . 11094 1 256 . 1 1 29 29 GLU HA H 1 4.319 0.030 . 1 . . . . 29 GLU HA . 11094 1 257 . 1 1 29 29 GLU HB2 H 1 1.889 0.030 . 2 . . . . 29 GLU HB2 . 11094 1 258 . 1 1 29 29 GLU HB3 H 1 2.170 0.030 . 2 . . . . 29 GLU HB3 . 11094 1 259 . 1 1 29 29 GLU HG2 H 1 2.103 0.030 . 1 . . . . 29 GLU HG2 . 11094 1 260 . 1 1 29 29 GLU HG3 H 1 2.103 0.030 . 1 . . . . 29 GLU HG3 . 11094 1 261 . 1 1 29 29 GLU C C 13 176.523 0.300 . 1 . . . . 29 GLU C . 11094 1 262 . 1 1 29 29 GLU CA C 13 55.559 0.300 . 1 . . . . 29 GLU CA . 11094 1 263 . 1 1 29 29 GLU CB C 13 30.115 0.300 . 1 . . . . 29 GLU CB . 11094 1 264 . 1 1 29 29 GLU CG C 13 36.691 0.300 . 1 . . . . 29 GLU CG . 11094 1 265 . 1 1 29 29 GLU N N 15 117.480 0.300 . 1 . . . . 29 GLU N . 11094 1 266 . 1 1 30 30 GLY H H 1 7.732 0.030 . 1 . . . . 30 GLY H . 11094 1 267 . 1 1 30 30 GLY HA2 H 1 3.238 0.030 . 2 . . . . 30 GLY HA2 . 11094 1 268 . 1 1 30 30 GLY HA3 H 1 4.033 0.030 . 2 . . . . 30 GLY HA3 . 11094 1 269 . 1 1 30 30 GLY C C 13 173.772 0.300 . 1 . . . . 30 GLY C . 11094 1 270 . 1 1 30 30 GLY CA C 13 45.413 0.300 . 1 . . . . 30 GLY CA . 11094 1 271 . 1 1 30 30 GLY N N 15 108.664 0.300 . 1 . . . . 30 GLY N . 11094 1 272 . 1 1 31 31 VAL H H 1 8.413 0.030 . 1 . . . . 31 VAL H . 11094 1 273 . 1 1 31 31 VAL HA H 1 3.504 0.030 . 1 . . . . 31 VAL HA . 11094 1 274 . 1 1 31 31 VAL HB H 1 1.939 0.030 . 1 . . . . 31 VAL HB . 11094 1 275 . 1 1 31 31 VAL HG11 H 1 0.794 0.030 . 1 . . . . 31 VAL HG1 . 11094 1 276 . 1 1 31 31 VAL HG12 H 1 0.794 0.030 . 1 . . . . 31 VAL HG1 . 11094 1 277 . 1 1 31 31 VAL HG13 H 1 0.794 0.030 . 1 . . . . 31 VAL HG1 . 11094 1 278 . 1 1 31 31 VAL HG21 H 1 0.753 0.030 . 1 . . . . 31 VAL HG2 . 11094 1 279 . 1 1 31 31 VAL HG22 H 1 0.753 0.030 . 1 . . . . 31 VAL HG2 . 11094 1 280 . 1 1 31 31 VAL HG23 H 1 0.753 0.030 . 1 . . . . 31 VAL HG2 . 11094 1 281 . 1 1 31 31 VAL C C 13 175.810 0.300 . 1 . . . . 31 VAL C . 11094 1 282 . 1 1 31 31 VAL CA C 13 63.737 0.300 . 1 . . . . 31 VAL CA . 11094 1 283 . 1 1 31 31 VAL CB C 13 30.620 0.300 . 1 . . . . 31 VAL CB . 11094 1 284 . 1 1 31 31 VAL CG1 C 13 22.844 0.300 . 2 . . . . 31 VAL CG1 . 11094 1 285 . 1 1 31 31 VAL CG2 C 13 21.114 0.300 . 2 . . . . 31 VAL CG2 . 11094 1 286 . 1 1 31 31 VAL N N 15 125.283 0.300 . 1 . . . . 31 VAL N . 11094 1 287 . 1 1 32 32 GLU H H 1 8.172 0.030 . 1 . . . . 32 GLU H . 11094 1 288 . 1 1 32 32 GLU HA H 1 4.043 0.030 . 1 . . . . 32 GLU HA . 11094 1 289 . 1 1 32 32 GLU HB2 H 1 1.952 0.030 . 2 . . . . 32 GLU HB2 . 11094 1 290 . 1 1 32 32 GLU HB3 H 1 1.841 0.030 . 2 . . . . 32 GLU HB3 . 11094 1 291 . 1 1 32 32 GLU HG2 H 1 1.900 0.030 . 2 . . . . 32 GLU HG2 . 11094 1 292 . 1 1 32 32 GLU HG3 H 1 2.458 0.030 . 2 . . . . 32 GLU HG3 . 11094 1 293 . 1 1 32 32 GLU C C 13 176.695 0.300 . 1 . . . . 32 GLU C . 11094 1 294 . 1 1 32 32 GLU CA C 13 57.351 0.300 . 1 . . . . 32 GLU CA . 11094 1 295 . 1 1 32 32 GLU CB C 13 30.279 0.300 . 1 . . . . 32 GLU CB . 11094 1 296 . 1 1 32 32 GLU CG C 13 37.102 0.300 . 1 . . . . 32 GLU CG . 11094 1 297 . 1 1 32 32 GLU N N 15 123.760 0.300 . 1 . . . . 32 GLU N . 11094 1 298 . 1 1 33 33 LEU H H 1 8.729 0.030 . 1 . . . . 33 LEU H . 11094 1 299 . 1 1 33 33 LEU HA H 1 4.513 0.030 . 1 . . . . 33 LEU HA . 11094 1 300 . 1 1 33 33 LEU HB2 H 1 1.607 0.030 . 2 . . . . 33 LEU HB2 . 11094 1 301 . 1 1 33 33 LEU HB3 H 1 1.472 0.030 . 2 . . . . 33 LEU HB3 . 11094 1 302 . 1 1 33 33 LEU HD11 H 1 0.678 0.030 . 1 . . . . 33 LEU HD1 . 11094 1 303 . 1 1 33 33 LEU HD12 H 1 0.678 0.030 . 1 . . . . 33 LEU HD1 . 11094 1 304 . 1 1 33 33 LEU HD13 H 1 0.678 0.030 . 1 . . . . 33 LEU HD1 . 11094 1 305 . 1 1 33 33 LEU HD21 H 1 0.653 0.030 . 1 . . . . 33 LEU HD2 . 11094 1 306 . 1 1 33 33 LEU HD22 H 1 0.653 0.030 . 1 . . . . 33 LEU HD2 . 11094 1 307 . 1 1 33 33 LEU HD23 H 1 0.653 0.030 . 1 . . . . 33 LEU HD2 . 11094 1 308 . 1 1 33 33 LEU HG H 1 1.539 0.030 . 1 . . . . 33 LEU HG . 11094 1 309 . 1 1 33 33 LEU C C 13 176.774 0.300 . 1 . . . . 33 LEU C . 11094 1 310 . 1 1 33 33 LEU CA C 13 53.754 0.300 . 1 . . . . 33 LEU CA . 11094 1 311 . 1 1 33 33 LEU CB C 13 41.993 0.300 . 1 . . . . 33 LEU CB . 11094 1 312 . 1 1 33 33 LEU CD1 C 13 26.968 0.300 . 2 . . . . 33 LEU CD1 . 11094 1 313 . 1 1 33 33 LEU CD2 C 13 22.604 0.300 . 2 . . . . 33 LEU CD2 . 11094 1 314 . 1 1 33 33 LEU CG C 13 26.574 0.300 . 1 . . . . 33 LEU CG . 11094 1 315 . 1 1 33 33 LEU N N 15 126.129 0.300 . 1 . . . . 33 LEU N . 11094 1 316 . 1 1 34 34 GLY H H 1 8.029 0.030 . 1 . . . . 34 GLY H . 11094 1 317 . 1 1 34 34 GLY HA2 H 1 4.176 0.030 . 2 . . . . 34 GLY HA2 . 11094 1 318 . 1 1 34 34 GLY HA3 H 1 4.075 0.030 . 2 . . . . 34 GLY HA3 . 11094 1 319 . 1 1 34 34 GLY C C 13 173.193 0.300 . 1 . . . . 34 GLY C . 11094 1 320 . 1 1 34 34 GLY CA C 13 45.724 0.300 . 1 . . . . 34 GLY CA . 11094 1 321 . 1 1 34 34 GLY N N 15 109.225 0.300 . 1 . . . . 34 GLY N . 11094 1 322 . 1 1 35 35 SER H H 1 8.834 0.030 . 1 . . . . 35 SER H . 11094 1 323 . 1 1 35 35 SER HA H 1 5.569 0.030 . 1 . . . . 35 SER HA . 11094 1 324 . 1 1 35 35 SER HB2 H 1 4.098 0.030 . 2 . . . . 35 SER HB2 . 11094 1 325 . 1 1 35 35 SER HB3 H 1 3.932 0.030 . 2 . . . . 35 SER HB3 . 11094 1 326 . 1 1 35 35 SER C C 13 173.709 0.300 . 1 . . . . 35 SER C . 11094 1 327 . 1 1 35 35 SER CA C 13 57.783 0.300 . 1 . . . . 35 SER CA . 11094 1 328 . 1 1 35 35 SER CB C 13 66.087 0.300 . 1 . . . . 35 SER CB . 11094 1 329 . 1 1 35 35 SER N N 15 118.168 0.300 . 1 . . . . 35 SER N . 11094 1 330 . 1 1 36 36 GLY H H 1 8.750 0.030 . 1 . . . . 36 GLY H . 11094 1 331 . 1 1 36 36 GLY HA2 H 1 4.374 0.030 . 2 . . . . 36 GLY HA2 . 11094 1 332 . 1 1 36 36 GLY HA3 H 1 4.222 0.030 . 2 . . . . 36 GLY HA3 . 11094 1 333 . 1 1 36 36 GLY C C 13 172.184 0.300 . 1 . . . . 36 GLY C . 11094 1 334 . 1 1 36 36 GLY CA C 13 45.971 0.300 . 1 . . . . 36 GLY CA . 11094 1 335 . 1 1 36 36 GLY N N 15 107.562 0.300 . 1 . . . . 36 GLY N . 11094 1 336 . 1 1 37 37 VAL H H 1 8.473 0.030 . 1 . . . . 37 VAL H . 11094 1 337 . 1 1 37 37 VAL HA H 1 4.936 0.030 . 1 . . . . 37 VAL HA . 11094 1 338 . 1 1 37 37 VAL HB H 1 1.896 0.030 . 1 . . . . 37 VAL HB . 11094 1 339 . 1 1 37 37 VAL HG11 H 1 0.684 0.030 . 1 . . . . 37 VAL HG1 . 11094 1 340 . 1 1 37 37 VAL HG12 H 1 0.684 0.030 . 1 . . . . 37 VAL HG1 . 11094 1 341 . 1 1 37 37 VAL HG13 H 1 0.684 0.030 . 1 . . . . 37 VAL HG1 . 11094 1 342 . 1 1 37 37 VAL HG21 H 1 0.848 0.030 . 1 . . . . 37 VAL HG2 . 11094 1 343 . 1 1 37 37 VAL HG22 H 1 0.848 0.030 . 1 . . . . 37 VAL HG2 . 11094 1 344 . 1 1 37 37 VAL HG23 H 1 0.848 0.030 . 1 . . . . 37 VAL HG2 . 11094 1 345 . 1 1 37 37 VAL C C 13 174.035 0.300 . 1 . . . . 37 VAL C . 11094 1 346 . 1 1 37 37 VAL CA C 13 60.925 0.300 . 1 . . . . 37 VAL CA . 11094 1 347 . 1 1 37 37 VAL CB C 13 35.663 0.300 . 1 . . . . 37 VAL CB . 11094 1 348 . 1 1 37 37 VAL CG1 C 13 21.544 0.300 . 2 . . . . 37 VAL CG1 . 11094 1 349 . 1 1 37 37 VAL CG2 C 13 21.604 0.300 . 2 . . . . 37 VAL CG2 . 11094 1 350 . 1 1 37 37 VAL N N 15 122.778 0.300 . 1 . . . . 37 VAL N . 11094 1 351 . 1 1 38 38 MET H H 1 9.907 0.030 . 1 . . . . 38 MET H . 11094 1 352 . 1 1 38 38 MET HA H 1 5.285 0.030 . 1 . . . . 38 MET HA . 11094 1 353 . 1 1 38 38 MET HB2 H 1 1.529 0.030 . 2 . . . . 38 MET HB2 . 11094 1 354 . 1 1 38 38 MET HB3 H 1 1.951 0.030 . 2 . . . . 38 MET HB3 . 11094 1 355 . 1 1 38 38 MET HE1 H 1 1.338 0.030 . 1 . . . . 38 MET HE . 11094 1 356 . 1 1 38 38 MET HE2 H 1 1.338 0.030 . 1 . . . . 38 MET HE . 11094 1 357 . 1 1 38 38 MET HE3 H 1 1.338 0.030 . 1 . . . . 38 MET HE . 11094 1 358 . 1 1 38 38 MET HG2 H 1 2.040 0.030 . 2 . . . . 38 MET HG2 . 11094 1 359 . 1 1 38 38 MET HG3 H 1 1.944 0.030 . 2 . . . . 38 MET HG3 . 11094 1 360 . 1 1 38 38 MET C C 13 173.334 0.300 . 1 . . . . 38 MET C . 11094 1 361 . 1 1 38 38 MET CA C 13 53.751 0.300 . 1 . . . . 38 MET CA . 11094 1 362 . 1 1 38 38 MET CB C 13 36.027 0.300 . 1 . . . . 38 MET CB . 11094 1 363 . 1 1 38 38 MET CE C 13 17.239 0.300 . 1 . . . . 38 MET CE . 11094 1 364 . 1 1 38 38 MET CG C 13 32.499 0.300 . 1 . . . . 38 MET CG . 11094 1 365 . 1 1 38 38 MET N N 15 129.782 0.300 . 1 . . . . 38 MET N . 11094 1 366 . 1 1 39 39 GLU H H 1 10.261 0.030 . 1 . . . . 39 GLU H . 11094 1 367 . 1 1 39 39 GLU HA H 1 5.557 0.030 . 1 . . . . 39 GLU HA . 11094 1 368 . 1 1 39 39 GLU HB2 H 1 1.621 0.030 . 2 . . . . 39 GLU HB2 . 11094 1 369 . 1 1 39 39 GLU HB3 H 1 2.260 0.030 . 2 . . . . 39 GLU HB3 . 11094 1 370 . 1 1 39 39 GLU HG2 H 1 2.132 0.030 . 2 . . . . 39 GLU HG2 . 11094 1 371 . 1 1 39 39 GLU HG3 H 1 1.932 0.030 . 2 . . . . 39 GLU HG3 . 11094 1 372 . 1 1 39 39 GLU C C 13 174.276 0.300 . 1 . . . . 39 GLU C . 11094 1 373 . 1 1 39 39 GLU CA C 13 53.411 0.300 . 1 . . . . 39 GLU CA . 11094 1 374 . 1 1 39 39 GLU CB C 13 33.744 0.300 . 1 . . . . 39 GLU CB . 11094 1 375 . 1 1 39 39 GLU CG C 13 35.869 0.300 . 1 . . . . 39 GLU CG . 11094 1 376 . 1 1 39 39 GLU N N 15 130.953 0.300 . 1 . . . . 39 GLU N . 11094 1 377 . 1 1 40 40 LEU H H 1 8.529 0.030 . 1 . . . . 40 LEU H . 11094 1 378 . 1 1 40 40 LEU HA H 1 4.968 0.030 . 1 . . . . 40 LEU HA . 11094 1 379 . 1 1 40 40 LEU HB2 H 1 1.756 0.030 . 2 . . . . 40 LEU HB2 . 11094 1 380 . 1 1 40 40 LEU HB3 H 1 1.491 0.030 . 2 . . . . 40 LEU HB3 . 11094 1 381 . 1 1 40 40 LEU HD11 H 1 0.684 0.030 . 1 . . . . 40 LEU HD1 . 11094 1 382 . 1 1 40 40 LEU HD12 H 1 0.684 0.030 . 1 . . . . 40 LEU HD1 . 11094 1 383 . 1 1 40 40 LEU HD13 H 1 0.684 0.030 . 1 . . . . 40 LEU HD1 . 11094 1 384 . 1 1 40 40 LEU HD21 H 1 0.674 0.030 . 1 . . . . 40 LEU HD2 . 11094 1 385 . 1 1 40 40 LEU HD22 H 1 0.674 0.030 . 1 . . . . 40 LEU HD2 . 11094 1 386 . 1 1 40 40 LEU HD23 H 1 0.674 0.030 . 1 . . . . 40 LEU HD2 . 11094 1 387 . 1 1 40 40 LEU HG H 1 1.784 0.030 . 1 . . . . 40 LEU HG . 11094 1 388 . 1 1 40 40 LEU C C 13 177.275 0.300 . 1 . . . . 40 LEU C . 11094 1 389 . 1 1 40 40 LEU CA C 13 55.516 0.300 . 1 . . . . 40 LEU CA . 11094 1 390 . 1 1 40 40 LEU CB C 13 41.665 0.300 . 1 . . . . 40 LEU CB . 11094 1 391 . 1 1 40 40 LEU CD1 C 13 24.949 0.300 . 2 . . . . 40 LEU CD1 . 11094 1 392 . 1 1 40 40 LEU CD2 C 13 26.498 0.300 . 2 . . . . 40 LEU CD2 . 11094 1 393 . 1 1 40 40 LEU CG C 13 30.774 0.300 . 1 . . . . 40 LEU CG . 11094 1 394 . 1 1 40 40 LEU N N 15 129.179 0.300 . 1 . . . . 40 LEU N . 11094 1 395 . 1 1 41 41 THR H H 1 8.287 0.030 . 1 . . . . 41 THR H . 11094 1 396 . 1 1 41 41 THR HA H 1 4.729 0.030 . 1 . . . . 41 THR HA . 11094 1 397 . 1 1 41 41 THR HB H 1 4.910 0.030 . 1 . . . . 41 THR HB . 11094 1 398 . 1 1 41 41 THR HG21 H 1 1.107 0.030 . 1 . . . . 41 THR HG2 . 11094 1 399 . 1 1 41 41 THR HG22 H 1 1.107 0.030 . 1 . . . . 41 THR HG2 . 11094 1 400 . 1 1 41 41 THR HG23 H 1 1.107 0.030 . 1 . . . . 41 THR HG2 . 11094 1 401 . 1 1 41 41 THR C C 13 174.758 0.300 . 1 . . . . 41 THR C . 11094 1 402 . 1 1 41 41 THR CA C 13 59.563 0.300 . 1 . . . . 41 THR CA . 11094 1 403 . 1 1 41 41 THR CB C 13 70.267 0.300 . 1 . . . . 41 THR CB . 11094 1 404 . 1 1 41 41 THR CG2 C 13 21.483 0.300 . 1 . . . . 41 THR CG2 . 11094 1 405 . 1 1 41 41 THR N N 15 114.394 0.300 . 1 . . . . 41 THR N . 11094 1 406 . 1 1 42 42 GLN H H 1 8.681 0.030 . 1 . . . . 42 GLN H . 11094 1 407 . 1 1 42 42 GLN HA H 1 4.238 0.030 . 1 . . . . 42 GLN HA . 11094 1 408 . 1 1 42 42 GLN HB2 H 1 2.126 0.030 . 1 . . . . 42 GLN HB2 . 11094 1 409 . 1 1 42 42 GLN HB3 H 1 2.126 0.030 . 1 . . . . 42 GLN HB3 . 11094 1 410 . 1 1 42 42 GLN HE21 H 1 6.842 0.030 . 2 . . . . 42 GLN HE21 . 11094 1 411 . 1 1 42 42 GLN HE22 H 1 7.502 0.030 . 2 . . . . 42 GLN HE22 . 11094 1 412 . 1 1 42 42 GLN HG2 H 1 2.480 0.030 . 2 . . . . 42 GLN HG2 . 11094 1 413 . 1 1 42 42 GLN HG3 H 1 2.423 0.030 . 2 . . . . 42 GLN HG3 . 11094 1 414 . 1 1 42 42 GLN C C 13 176.617 0.300 . 1 . . . . 42 GLN C . 11094 1 415 . 1 1 42 42 GLN CA C 13 59.212 0.300 . 1 . . . . 42 GLN CA . 11094 1 416 . 1 1 42 42 GLN CB C 13 28.471 0.300 . 1 . . . . 42 GLN CB . 11094 1 417 . 1 1 42 42 GLN CG C 13 34.061 0.300 . 1 . . . . 42 GLN CG . 11094 1 418 . 1 1 42 42 GLN N N 15 117.554 0.300 . 1 . . . . 42 GLN N . 11094 1 419 . 1 1 42 42 GLN NE2 N 15 112.208 0.300 . 1 . . . . 42 GLN NE2 . 11094 1 420 . 1 1 43 43 SER H H 1 7.918 0.030 . 1 . . . . 43 SER H . 11094 1 421 . 1 1 43 43 SER HA H 1 4.577 0.030 . 1 . . . . 43 SER HA . 11094 1 422 . 1 1 43 43 SER HB2 H 1 3.746 0.030 . 2 . . . . 43 SER HB2 . 11094 1 423 . 1 1 43 43 SER HB3 H 1 3.590 0.030 . 2 . . . . 43 SER HB3 . 11094 1 424 . 1 1 43 43 SER C C 13 173.654 0.300 . 1 . . . . 43 SER C . 11094 1 425 . 1 1 43 43 SER CA C 13 58.616 0.300 . 1 . . . . 43 SER CA . 11094 1 426 . 1 1 43 43 SER CB C 13 66.124 0.300 . 1 . . . . 43 SER CB . 11094 1 427 . 1 1 43 43 SER N N 15 106.896 0.300 . 1 . . . . 43 SER N . 11094 1 428 . 1 1 44 44 GLU H H 1 7.172 0.030 . 1 . . . . 44 GLU H . 11094 1 429 . 1 1 44 44 GLU HA H 1 4.101 0.030 . 1 . . . . 44 GLU HA . 11094 1 430 . 1 1 44 44 GLU HB2 H 1 1.553 0.030 . 2 . . . . 44 GLU HB2 . 11094 1 431 . 1 1 44 44 GLU HB3 H 1 1.340 0.030 . 2 . . . . 44 GLU HB3 . 11094 1 432 . 1 1 44 44 GLU HG2 H 1 1.673 0.030 . 2 . . . . 44 GLU HG2 . 11094 1 433 . 1 1 44 44 GLU HG3 H 1 1.806 0.030 . 2 . . . . 44 GLU HG3 . 11094 1 434 . 1 1 44 44 GLU C C 13 173.587 0.300 . 1 . . . . 44 GLU C . 11094 1 435 . 1 1 44 44 GLU CA C 13 55.103 0.300 . 1 . . . . 44 GLU CA . 11094 1 436 . 1 1 44 44 GLU CB C 13 33.784 0.300 . 1 . . . . 44 GLU CB . 11094 1 437 . 1 1 44 44 GLU CG C 13 35.294 0.300 . 1 . . . . 44 GLU CG . 11094 1 438 . 1 1 44 44 GLU N N 15 120.949 0.300 . 1 . . . . 44 GLU N . 11094 1 439 . 1 1 45 45 LEU H H 1 8.234 0.030 . 1 . . . . 45 LEU H . 11094 1 440 . 1 1 45 45 LEU HA H 1 4.852 0.030 . 1 . . . . 45 LEU HA . 11094 1 441 . 1 1 45 45 LEU HB2 H 1 1.802 0.030 . 2 . . . . 45 LEU HB2 . 11094 1 442 . 1 1 45 45 LEU HB3 H 1 1.711 0.030 . 2 . . . . 45 LEU HB3 . 11094 1 443 . 1 1 45 45 LEU HD11 H 1 0.234 0.030 . 1 . . . . 45 LEU HD1 . 11094 1 444 . 1 1 45 45 LEU HD12 H 1 0.234 0.030 . 1 . . . . 45 LEU HD1 . 11094 1 445 . 1 1 45 45 LEU HD13 H 1 0.234 0.030 . 1 . . . . 45 LEU HD1 . 11094 1 446 . 1 1 45 45 LEU HD21 H 1 0.632 0.030 . 1 . . . . 45 LEU HD2 . 11094 1 447 . 1 1 45 45 LEU HD22 H 1 0.632 0.030 . 1 . . . . 45 LEU HD2 . 11094 1 448 . 1 1 45 45 LEU HD23 H 1 0.632 0.030 . 1 . . . . 45 LEU HD2 . 11094 1 449 . 1 1 45 45 LEU HG H 1 1.615 0.030 . 1 . . . . 45 LEU HG . 11094 1 450 . 1 1 45 45 LEU C C 13 176.045 0.300 . 1 . . . . 45 LEU C . 11094 1 451 . 1 1 45 45 LEU CA C 13 54.646 0.300 . 1 . . . . 45 LEU CA . 11094 1 452 . 1 1 45 45 LEU CB C 13 44.213 0.300 . 1 . . . . 45 LEU CB . 11094 1 453 . 1 1 45 45 LEU CD1 C 13 25.931 0.300 . 2 . . . . 45 LEU CD1 . 11094 1 454 . 1 1 45 45 LEU CD2 C 13 24.688 0.300 . 2 . . . . 45 LEU CD2 . 11094 1 455 . 1 1 45 45 LEU CG C 13 27.324 0.300 . 1 . . . . 45 LEU CG . 11094 1 456 . 1 1 45 45 LEU N N 15 121.641 0.300 . 1 . . . . 45 LEU N . 11094 1 457 . 1 1 46 46 VAL H H 1 9.316 0.030 . 1 . . . . 46 VAL H . 11094 1 458 . 1 1 46 46 VAL HA H 1 4.510 0.030 . 1 . . . . 46 VAL HA . 11094 1 459 . 1 1 46 46 VAL HB H 1 1.931 0.030 . 1 . . . . 46 VAL HB . 11094 1 460 . 1 1 46 46 VAL HG11 H 1 0.227 0.030 . 1 . . . . 46 VAL HG1 . 11094 1 461 . 1 1 46 46 VAL HG12 H 1 0.227 0.030 . 1 . . . . 46 VAL HG1 . 11094 1 462 . 1 1 46 46 VAL HG13 H 1 0.227 0.030 . 1 . . . . 46 VAL HG1 . 11094 1 463 . 1 1 46 46 VAL HG21 H 1 0.684 0.030 . 1 . . . . 46 VAL HG2 . 11094 1 464 . 1 1 46 46 VAL HG22 H 1 0.684 0.030 . 1 . . . . 46 VAL HG2 . 11094 1 465 . 1 1 46 46 VAL HG23 H 1 0.684 0.030 . 1 . . . . 46 VAL HG2 . 11094 1 466 . 1 1 46 46 VAL C C 13 173.779 0.300 . 1 . . . . 46 VAL C . 11094 1 467 . 1 1 46 46 VAL CA C 13 61.478 0.300 . 1 . . . . 46 VAL CA . 11094 1 468 . 1 1 46 46 VAL CB C 13 34.060 0.300 . 1 . . . . 46 VAL CB . 11094 1 469 . 1 1 46 46 VAL CG1 C 13 20.925 0.300 . 2 . . . . 46 VAL CG1 . 11094 1 470 . 1 1 46 46 VAL CG2 C 13 21.504 0.300 . 2 . . . . 46 VAL CG2 . 11094 1 471 . 1 1 46 46 VAL N N 15 124.800 0.300 . 1 . . . . 46 VAL N . 11094 1 472 . 1 1 47 47 LEU H H 1 9.621 0.030 . 1 . . . . 47 LEU H . 11094 1 473 . 1 1 47 47 LEU HA H 1 5.020 0.030 . 1 . . . . 47 LEU HA . 11094 1 474 . 1 1 47 47 LEU HB2 H 1 1.267 0.030 . 2 . . . . 47 LEU HB2 . 11094 1 475 . 1 1 47 47 LEU HB3 H 1 2.136 0.030 . 2 . . . . 47 LEU HB3 . 11094 1 476 . 1 1 47 47 LEU HD11 H 1 1.153 0.030 . 1 . . . . 47 LEU HD1 . 11094 1 477 . 1 1 47 47 LEU HD12 H 1 1.153 0.030 . 1 . . . . 47 LEU HD1 . 11094 1 478 . 1 1 47 47 LEU HD13 H 1 1.153 0.030 . 1 . . . . 47 LEU HD1 . 11094 1 479 . 1 1 47 47 LEU HD21 H 1 0.600 0.030 . 1 . . . . 47 LEU HD2 . 11094 1 480 . 1 1 47 47 LEU HD22 H 1 0.600 0.030 . 1 . . . . 47 LEU HD2 . 11094 1 481 . 1 1 47 47 LEU HD23 H 1 0.600 0.030 . 1 . . . . 47 LEU HD2 . 11094 1 482 . 1 1 47 47 LEU HG H 1 1.373 0.030 . 1 . . . . 47 LEU HG . 11094 1 483 . 1 1 47 47 LEU C C 13 174.351 0.300 . 1 . . . . 47 LEU C . 11094 1 484 . 1 1 47 47 LEU CA C 13 53.160 0.300 . 1 . . . . 47 LEU CA . 11094 1 485 . 1 1 47 47 LEU CB C 13 45.485 0.300 . 1 . . . . 47 LEU CB . 11094 1 486 . 1 1 47 47 LEU CD1 C 13 28.702 0.300 . 2 . . . . 47 LEU CD1 . 11094 1 487 . 1 1 47 47 LEU CD2 C 13 22.716 0.300 . 2 . . . . 47 LEU CD2 . 11094 1 488 . 1 1 47 47 LEU CG C 13 27.564 0.300 . 1 . . . . 47 LEU CG . 11094 1 489 . 1 1 47 47 LEU N N 15 128.983 0.300 . 1 . . . . 47 LEU N . 11094 1 490 . 1 1 48 48 HIS H H 1 9.402 0.030 . 1 . . . . 48 HIS H . 11094 1 491 . 1 1 48 48 HIS HA H 1 4.644 0.030 . 1 . . . . 48 HIS HA . 11094 1 492 . 1 1 48 48 HIS HB2 H 1 3.145 0.030 . 2 . . . . 48 HIS HB2 . 11094 1 493 . 1 1 48 48 HIS HB3 H 1 2.923 0.030 . 2 . . . . 48 HIS HB3 . 11094 1 494 . 1 1 48 48 HIS HD2 H 1 6.807 0.030 . 1 . . . . 48 HIS HD2 . 11094 1 495 . 1 1 48 48 HIS HE1 H 1 7.616 0.030 . 1 . . . . 48 HIS HE1 . 11094 1 496 . 1 1 48 48 HIS C C 13 176.208 0.300 . 1 . . . . 48 HIS C . 11094 1 497 . 1 1 48 48 HIS CA C 13 55.489 0.300 . 1 . . . . 48 HIS CA . 11094 1 498 . 1 1 48 48 HIS CB C 13 31.142 0.300 . 1 . . . . 48 HIS CB . 11094 1 499 . 1 1 48 48 HIS CD2 C 13 118.446 0.300 . 1 . . . . 48 HIS CD2 . 11094 1 500 . 1 1 48 48 HIS CE1 C 13 138.421 0.300 . 1 . . . . 48 HIS CE1 . 11094 1 501 . 1 1 48 48 HIS N N 15 127.887 0.300 . 1 . . . . 48 HIS N . 11094 1 502 . 1 1 49 49 LEU H H 1 8.765 0.030 . 1 . . . . 49 LEU H . 11094 1 503 . 1 1 49 49 LEU HA H 1 4.710 0.030 . 1 . . . . 49 LEU HA . 11094 1 504 . 1 1 49 49 LEU HB2 H 1 1.534 0.030 . 2 . . . . 49 LEU HB2 . 11094 1 505 . 1 1 49 49 LEU HB3 H 1 1.437 0.030 . 2 . . . . 49 LEU HB3 . 11094 1 506 . 1 1 49 49 LEU HD11 H 1 0.887 0.030 . 1 . . . . 49 LEU HD1 . 11094 1 507 . 1 1 49 49 LEU HD12 H 1 0.887 0.030 . 1 . . . . 49 LEU HD1 . 11094 1 508 . 1 1 49 49 LEU HD13 H 1 0.887 0.030 . 1 . . . . 49 LEU HD1 . 11094 1 509 . 1 1 49 49 LEU HD21 H 1 0.862 0.030 . 1 . . . . 49 LEU HD2 . 11094 1 510 . 1 1 49 49 LEU HD22 H 1 0.862 0.030 . 1 . . . . 49 LEU HD2 . 11094 1 511 . 1 1 49 49 LEU HD23 H 1 0.862 0.030 . 1 . . . . 49 LEU HD2 . 11094 1 512 . 1 1 49 49 LEU HG H 1 1.538 0.030 . 1 . . . . 49 LEU HG . 11094 1 513 . 1 1 49 49 LEU C C 13 176.431 0.300 . 1 . . . . 49 LEU C . 11094 1 514 . 1 1 49 49 LEU CA C 13 53.926 0.300 . 1 . . . . 49 LEU CA . 11094 1 515 . 1 1 49 49 LEU CB C 13 44.427 0.300 . 1 . . . . 49 LEU CB . 11094 1 516 . 1 1 49 49 LEU CD1 C 13 25.773 0.300 . 2 . . . . 49 LEU CD1 . 11094 1 517 . 1 1 49 49 LEU CD2 C 13 22.764 0.300 . 2 . . . . 49 LEU CD2 . 11094 1 518 . 1 1 49 49 LEU CG C 13 26.924 0.300 . 1 . . . . 49 LEU CG . 11094 1 519 . 1 1 49 49 LEU N N 15 126.820 0.300 . 1 . . . . 49 LEU N . 11094 1 520 . 1 1 50 50 HIS H H 1 8.654 0.030 . 1 . . . . 50 HIS H . 11094 1 521 . 1 1 50 50 HIS HA H 1 4.466 0.030 . 1 . . . . 50 HIS HA . 11094 1 522 . 1 1 50 50 HIS HB2 H 1 3.093 0.030 . 1 . . . . 50 HIS HB2 . 11094 1 523 . 1 1 50 50 HIS HB3 H 1 3.093 0.030 . 1 . . . . 50 HIS HB3 . 11094 1 524 . 1 1 50 50 HIS HD2 H 1 7.029 0.030 . 1 . . . . 50 HIS HD2 . 11094 1 525 . 1 1 50 50 HIS HE1 H 1 7.735 0.030 . 1 . . . . 50 HIS HE1 . 11094 1 526 . 1 1 50 50 HIS C C 13 176.044 0.300 . 1 . . . . 50 HIS C . 11094 1 527 . 1 1 50 50 HIS CA C 13 57.920 0.300 . 1 . . . . 50 HIS CA . 11094 1 528 . 1 1 50 50 HIS CB C 13 30.998 0.300 . 1 . . . . 50 HIS CB . 11094 1 529 . 1 1 50 50 HIS CD2 C 13 119.898 0.300 . 1 . . . . 50 HIS CD2 . 11094 1 530 . 1 1 50 50 HIS CE1 C 13 138.625 0.300 . 1 . . . . 50 HIS CE1 . 11094 1 531 . 1 1 50 50 HIS N N 15 121.841 0.300 . 1 . . . . 50 HIS N . 11094 1 532 . 1 1 51 51 ARG H H 1 8.819 0.030 . 1 . . . . 51 ARG H . 11094 1 533 . 1 1 51 51 ARG HA H 1 3.747 0.030 . 1 . . . . 51 ARG HA . 11094 1 534 . 1 1 51 51 ARG HB2 H 1 1.932 0.030 . 2 . . . . 51 ARG HB2 . 11094 1 535 . 1 1 51 51 ARG HB3 H 1 1.730 0.030 . 2 . . . . 51 ARG HB3 . 11094 1 536 . 1 1 51 51 ARG HD2 H 1 3.041 0.030 . 1 . . . . 51 ARG HD2 . 11094 1 537 . 1 1 51 51 ARG HD3 H 1 3.041 0.030 . 1 . . . . 51 ARG HD3 . 11094 1 538 . 1 1 51 51 ARG HG2 H 1 1.151 0.030 . 2 . . . . 51 ARG HG2 . 11094 1 539 . 1 1 51 51 ARG HG3 H 1 0.912 0.030 . 2 . . . . 51 ARG HG3 . 11094 1 540 . 1 1 51 51 ARG C C 13 174.891 0.300 . 1 . . . . 51 ARG C . 11094 1 541 . 1 1 51 51 ARG CA C 13 57.517 0.300 . 1 . . . . 51 ARG CA . 11094 1 542 . 1 1 51 51 ARG CB C 13 27.824 0.300 . 1 . . . . 51 ARG CB . 11094 1 543 . 1 1 51 51 ARG CD C 13 43.244 0.300 . 1 . . . . 51 ARG CD . 11094 1 544 . 1 1 51 51 ARG CG C 13 27.329 0.300 . 1 . . . . 51 ARG CG . 11094 1 545 . 1 1 51 51 ARG N N 15 119.470 0.300 . 1 . . . . 51 ARG N . 11094 1 546 . 1 1 52 52 ARG H H 1 7.759 0.030 . 1 . . . . 52 ARG H . 11094 1 547 . 1 1 52 52 ARG HA H 1 4.615 0.030 . 1 . . . . 52 ARG HA . 11094 1 548 . 1 1 52 52 ARG HB2 H 1 1.607 0.030 . 2 . . . . 52 ARG HB2 . 11094 1 549 . 1 1 52 52 ARG HB3 H 1 1.936 0.030 . 2 . . . . 52 ARG HB3 . 11094 1 550 . 1 1 52 52 ARG HD2 H 1 3.177 0.030 . 2 . . . . 52 ARG HD2 . 11094 1 551 . 1 1 52 52 ARG HD3 H 1 3.124 0.030 . 2 . . . . 52 ARG HD3 . 11094 1 552 . 1 1 52 52 ARG HG2 H 1 1.620 0.030 . 1 . . . . 52 ARG HG2 . 11094 1 553 . 1 1 52 52 ARG HG3 H 1 1.620 0.030 . 1 . . . . 52 ARG HG3 . 11094 1 554 . 1 1 52 52 ARG CA C 13 54.694 0.300 . 1 . . . . 52 ARG CA . 11094 1 555 . 1 1 52 52 ARG CB C 13 33.284 0.300 . 1 . . . . 52 ARG CB . 11094 1 556 . 1 1 52 52 ARG CD C 13 43.268 0.300 . 1 . . . . 52 ARG CD . 11094 1 557 . 1 1 52 52 ARG CG C 13 26.944 0.300 . 1 . . . . 52 ARG CG . 11094 1 558 . 1 1 52 52 ARG N N 15 116.935 0.300 . 1 . . . . 52 ARG N . 11094 1 559 . 1 1 53 53 GLU H H 1 8.322 0.030 . 1 . . . . 53 GLU H . 11094 1 560 . 1 1 53 53 GLU HA H 1 4.181 0.030 . 1 . . . . 53 GLU HA . 11094 1 561 . 1 1 53 53 GLU HB2 H 1 1.916 0.030 . 1 . . . . 53 GLU HB2 . 11094 1 562 . 1 1 53 53 GLU HB3 H 1 1.916 0.030 . 1 . . . . 53 GLU HB3 . 11094 1 563 . 1 1 53 53 GLU HG2 H 1 2.282 0.030 . 1 . . . . 53 GLU HG2 . 11094 1 564 . 1 1 53 53 GLU HG3 H 1 2.282 0.030 . 1 . . . . 53 GLU HG3 . 11094 1 565 . 1 1 53 53 GLU C C 13 175.907 0.300 . 1 . . . . 53 GLU C . 11094 1 566 . 1 1 53 53 GLU CA C 13 56.455 0.300 . 1 . . . . 53 GLU CA . 11094 1 567 . 1 1 53 53 GLU CB C 13 30.197 0.300 . 1 . . . . 53 GLU CB . 11094 1 568 . 1 1 53 53 GLU CG C 13 36.362 0.300 . 1 . . . . 53 GLU CG . 11094 1 569 . 1 1 53 53 GLU N N 15 120.962 0.300 . 1 . . . . 53 GLU N . 11094 1 570 . 1 1 54 54 ALA H H 1 8.392 0.030 . 1 . . . . 54 ALA H . 11094 1 571 . 1 1 54 54 ALA HA H 1 4.477 0.030 . 1 . . . . 54 ALA HA . 11094 1 572 . 1 1 54 54 ALA HB1 H 1 0.943 0.030 . 1 . . . . 54 ALA HB . 11094 1 573 . 1 1 54 54 ALA HB2 H 1 0.943 0.030 . 1 . . . . 54 ALA HB . 11094 1 574 . 1 1 54 54 ALA HB3 H 1 0.943 0.030 . 1 . . . . 54 ALA HB . 11094 1 575 . 1 1 54 54 ALA C C 13 177.596 0.300 . 1 . . . . 54 ALA C . 11094 1 576 . 1 1 54 54 ALA CA C 13 52.327 0.300 . 1 . . . . 54 ALA CA . 11094 1 577 . 1 1 54 54 ALA CB C 13 19.017 0.300 . 1 . . . . 54 ALA CB . 11094 1 578 . 1 1 54 54 ALA N N 15 125.367 0.300 . 1 . . . . 54 ALA N . 11094 1 579 . 1 1 55 55 VAL H H 1 8.275 0.030 . 1 . . . . 55 VAL H . 11094 1 580 . 1 1 55 55 VAL HA H 1 3.838 0.030 . 1 . . . . 55 VAL HA . 11094 1 581 . 1 1 55 55 VAL HB H 1 1.360 0.030 . 1 . . . . 55 VAL HB . 11094 1 582 . 1 1 55 55 VAL HG11 H 1 -0.319 0.030 . 1 . . . . 55 VAL HG1 . 11094 1 583 . 1 1 55 55 VAL HG12 H 1 -0.319 0.030 . 1 . . . . 55 VAL HG1 . 11094 1 584 . 1 1 55 55 VAL HG13 H 1 -0.319 0.030 . 1 . . . . 55 VAL HG1 . 11094 1 585 . 1 1 55 55 VAL HG21 H 1 0.656 0.030 . 1 . . . . 55 VAL HG2 . 11094 1 586 . 1 1 55 55 VAL HG22 H 1 0.656 0.030 . 1 . . . . 55 VAL HG2 . 11094 1 587 . 1 1 55 55 VAL HG23 H 1 0.656 0.030 . 1 . . . . 55 VAL HG2 . 11094 1 588 . 1 1 55 55 VAL C C 13 173.592 0.300 . 1 . . . . 55 VAL C . 11094 1 589 . 1 1 55 55 VAL CA C 13 61.232 0.300 . 1 . . . . 55 VAL CA . 11094 1 590 . 1 1 55 55 VAL CB C 13 33.567 0.300 . 1 . . . . 55 VAL CB . 11094 1 591 . 1 1 55 55 VAL CG1 C 13 21.446 0.300 . 2 . . . . 55 VAL CG1 . 11094 1 592 . 1 1 55 55 VAL CG2 C 13 21.154 0.300 . 2 . . . . 55 VAL CG2 . 11094 1 593 . 1 1 55 55 VAL N N 15 122.911 0.300 . 1 . . . . 55 VAL N . 11094 1 594 . 1 1 56 56 ARG H H 1 7.629 0.030 . 1 . . . . 56 ARG H . 11094 1 595 . 1 1 56 56 ARG HA H 1 5.234 0.030 . 1 . . . . 56 ARG HA . 11094 1 596 . 1 1 56 56 ARG HB2 H 1 1.411 0.030 . 2 . . . . 56 ARG HB2 . 11094 1 597 . 1 1 56 56 ARG HB3 H 1 1.313 0.030 . 2 . . . . 56 ARG HB3 . 11094 1 598 . 1 1 56 56 ARG HD2 H 1 2.952 0.030 . 2 . . . . 56 ARG HD2 . 11094 1 599 . 1 1 56 56 ARG HD3 H 1 3.121 0.030 . 2 . . . . 56 ARG HD3 . 11094 1 600 . 1 1 56 56 ARG HE H 1 7.452 0.030 . 1 . . . . 56 ARG HE . 11094 1 601 . 1 1 56 56 ARG HG2 H 1 1.204 0.030 . 1 . . . . 56 ARG HG2 . 11094 1 602 . 1 1 56 56 ARG HG3 H 1 1.204 0.030 . 1 . . . . 56 ARG HG3 . 11094 1 603 . 1 1 56 56 ARG C C 13 176.703 0.300 . 1 . . . . 56 ARG C . 11094 1 604 . 1 1 56 56 ARG CA C 13 53.747 0.300 . 1 . . . . 56 ARG CA . 11094 1 605 . 1 1 56 56 ARG CB C 13 33.362 0.300 . 1 . . . . 56 ARG CB . 11094 1 606 . 1 1 56 56 ARG CD C 13 42.857 0.300 . 1 . . . . 56 ARG CD . 11094 1 607 . 1 1 56 56 ARG CG C 13 27.882 0.300 . 1 . . . . 56 ARG CG . 11094 1 608 . 1 1 56 56 ARG N N 15 122.349 0.300 . 1 . . . . 56 ARG N . 11094 1 609 . 1 1 56 56 ARG NE N 15 85.165 0.300 . 1 . . . . 56 ARG NE . 11094 1 610 . 1 1 57 57 TRP H H 1 9.597 0.030 . 1 . . . . 57 TRP H . 11094 1 611 . 1 1 57 57 TRP HA H 1 5.012 0.030 . 1 . . . . 57 TRP HA . 11094 1 612 . 1 1 57 57 TRP HB2 H 1 3.066 0.030 . 2 . . . . 57 TRP HB2 . 11094 1 613 . 1 1 57 57 TRP HB3 H 1 2.498 0.030 . 2 . . . . 57 TRP HB3 . 11094 1 614 . 1 1 57 57 TRP HD1 H 1 7.658 0.030 . 1 . . . . 57 TRP HD1 . 11094 1 615 . 1 1 57 57 TRP HE1 H 1 9.311 0.030 . 1 . . . . 57 TRP HE1 . 11094 1 616 . 1 1 57 57 TRP HE3 H 1 7.378 0.030 . 1 . . . . 57 TRP HE3 . 11094 1 617 . 1 1 57 57 TRP HH2 H 1 6.692 0.030 . 1 . . . . 57 TRP HH2 . 11094 1 618 . 1 1 57 57 TRP HZ2 H 1 5.980 0.030 . 1 . . . . 57 TRP HZ2 . 11094 1 619 . 1 1 57 57 TRP HZ3 H 1 6.728 0.030 . 1 . . . . 57 TRP HZ3 . 11094 1 620 . 1 1 57 57 TRP C C 13 172.662 0.300 . 1 . . . . 57 TRP C . 11094 1 621 . 1 1 57 57 TRP CA C 13 56.069 0.300 . 1 . . . . 57 TRP CA . 11094 1 622 . 1 1 57 57 TRP CB C 13 31.348 0.300 . 1 . . . . 57 TRP CB . 11094 1 623 . 1 1 57 57 TRP CD1 C 13 126.792 0.300 . 1 . . . . 57 TRP CD1 . 11094 1 624 . 1 1 57 57 TRP CE3 C 13 121.873 0.300 . 1 . . . . 57 TRP CE3 . 11094 1 625 . 1 1 57 57 TRP CH2 C 13 123.098 0.300 . 1 . . . . 57 TRP CH2 . 11094 1 626 . 1 1 57 57 TRP CZ2 C 13 114.655 0.300 . 1 . . . . 57 TRP CZ2 . 11094 1 627 . 1 1 57 57 TRP CZ3 C 13 121.483 0.300 . 1 . . . . 57 TRP CZ3 . 11094 1 628 . 1 1 57 57 TRP N N 15 123.568 0.300 . 1 . . . . 57 TRP N . 11094 1 629 . 1 1 57 57 TRP NE1 N 15 127.029 0.300 . 1 . . . . 57 TRP NE1 . 11094 1 630 . 1 1 58 58 PRO HA H 1 4.579 0.030 . 1 . . . . 58 PRO HA . 11094 1 631 . 1 1 58 58 PRO HB2 H 1 2.497 0.030 . 2 . . . . 58 PRO HB2 . 11094 1 632 . 1 1 58 58 PRO HB3 H 1 1.945 0.030 . 2 . . . . 58 PRO HB3 . 11094 1 633 . 1 1 58 58 PRO HD2 H 1 4.046 0.030 . 2 . . . . 58 PRO HD2 . 11094 1 634 . 1 1 58 58 PRO HD3 H 1 3.788 0.030 . 2 . . . . 58 PRO HD3 . 11094 1 635 . 1 1 58 58 PRO HG2 H 1 2.242 0.030 . 2 . . . . 58 PRO HG2 . 11094 1 636 . 1 1 58 58 PRO HG3 H 1 2.129 0.030 . 2 . . . . 58 PRO HG3 . 11094 1 637 . 1 1 58 58 PRO CA C 13 62.026 0.300 . 1 . . . . 58 PRO CA . 11094 1 638 . 1 1 58 58 PRO CB C 13 31.794 0.300 . 1 . . . . 58 PRO CB . 11094 1 639 . 1 1 58 58 PRO CD C 13 51.405 0.300 . 1 . . . . 58 PRO CD . 11094 1 640 . 1 1 58 58 PRO CG C 13 28.064 0.300 . 1 . . . . 58 PRO CG . 11094 1 641 . 1 1 59 59 TYR H H 1 8.331 0.030 . 1 . . . . 59 TYR H . 11094 1 642 . 1 1 59 59 TYR HA H 1 4.427 0.030 . 1 . . . . 59 TYR HA . 11094 1 643 . 1 1 59 59 TYR HB2 H 1 2.782 0.030 . 2 . . . . 59 TYR HB2 . 11094 1 644 . 1 1 59 59 TYR HB3 H 1 3.404 0.030 . 2 . . . . 59 TYR HB3 . 11094 1 645 . 1 1 59 59 TYR HD1 H 1 6.704 0.030 . 1 . . . . 59 TYR HD1 . 11094 1 646 . 1 1 59 59 TYR HD2 H 1 6.704 0.030 . 1 . . . . 59 TYR HD2 . 11094 1 647 . 1 1 59 59 TYR HE1 H 1 6.389 0.030 . 1 . . . . 59 TYR HE1 . 11094 1 648 . 1 1 59 59 TYR HE2 H 1 6.389 0.030 . 1 . . . . 59 TYR HE2 . 11094 1 649 . 1 1 59 59 TYR CA C 13 58.969 0.300 . 1 . . . . 59 TYR CA . 11094 1 650 . 1 1 59 59 TYR CB C 13 35.816 0.300 . 1 . . . . 59 TYR CB . 11094 1 651 . 1 1 59 59 TYR CD1 C 13 129.584 0.300 . 1 . . . . 59 TYR CD1 . 11094 1 652 . 1 1 59 59 TYR CD2 C 13 129.584 0.300 . 1 . . . . 59 TYR CD2 . 11094 1 653 . 1 1 59 59 TYR CE1 C 13 119.707 0.300 . 1 . . . . 59 TYR CE1 . 11094 1 654 . 1 1 59 59 TYR CE2 C 13 119.707 0.300 . 1 . . . . 59 TYR CE2 . 11094 1 655 . 1 1 59 59 TYR N N 15 127.143 0.300 . 1 . . . . 59 TYR N . 11094 1 656 . 1 1 60 60 LEU H H 1 7.744 0.030 . 1 . . . . 60 LEU H . 11094 1 657 . 1 1 60 60 LEU HA H 1 4.043 0.030 . 1 . . . . 60 LEU HA . 11094 1 658 . 1 1 60 60 LEU HB2 H 1 1.571 0.030 . 2 . . . . 60 LEU HB2 . 11094 1 659 . 1 1 60 60 LEU HB3 H 1 1.511 0.030 . 2 . . . . 60 LEU HB3 . 11094 1 660 . 1 1 60 60 LEU HD11 H 1 0.841 0.030 . 1 . . . . 60 LEU HD1 . 11094 1 661 . 1 1 60 60 LEU HD12 H 1 0.841 0.030 . 1 . . . . 60 LEU HD1 . 11094 1 662 . 1 1 60 60 LEU HD13 H 1 0.841 0.030 . 1 . . . . 60 LEU HD1 . 11094 1 663 . 1 1 60 60 LEU HD21 H 1 0.734 0.030 . 1 . . . . 60 LEU HD2 . 11094 1 664 . 1 1 60 60 LEU HD22 H 1 0.734 0.030 . 1 . . . . 60 LEU HD2 . 11094 1 665 . 1 1 60 60 LEU HD23 H 1 0.734 0.030 . 1 . . . . 60 LEU HD2 . 11094 1 666 . 1 1 60 60 LEU HG H 1 1.691 0.030 . 1 . . . . 60 LEU HG . 11094 1 667 . 1 1 60 60 LEU C C 13 177.119 0.300 . 1 . . . . 60 LEU C . 11094 1 668 . 1 1 60 60 LEU CA C 13 56.947 0.300 . 1 . . . . 60 LEU CA . 11094 1 669 . 1 1 60 60 LEU CB C 13 42.445 0.300 . 1 . . . . 60 LEU CB . 11094 1 670 . 1 1 60 60 LEU CD1 C 13 24.834 0.300 . 2 . . . . 60 LEU CD1 . 11094 1 671 . 1 1 60 60 LEU CD2 C 13 23.594 0.300 . 2 . . . . 60 LEU CD2 . 11094 1 672 . 1 1 60 60 LEU CG C 13 27.024 0.300 . 1 . . . . 60 LEU CG . 11094 1 673 . 1 1 60 60 LEU N N 15 113.356 0.300 . 1 . . . . 60 LEU N . 11094 1 674 . 1 1 61 61 CYS H H 1 8.073 0.030 . 1 . . . . 61 CYS H . 11094 1 675 . 1 1 61 61 CYS HA H 1 5.172 0.030 . 1 . . . . 61 CYS HA . 11094 1 676 . 1 1 61 61 CYS HB2 H 1 3.101 0.030 . 2 . . . . 61 CYS HB2 . 11094 1 677 . 1 1 61 61 CYS HB3 H 1 2.890 0.030 . 2 . . . . 61 CYS HB3 . 11094 1 678 . 1 1 61 61 CYS C C 13 175.551 0.300 . 1 . . . . 61 CYS C . 11094 1 679 . 1 1 61 61 CYS CA C 13 57.650 0.300 . 1 . . . . 61 CYS CA . 11094 1 680 . 1 1 61 61 CYS CB C 13 28.962 0.300 . 1 . . . . 61 CYS CB . 11094 1 681 . 1 1 61 61 CYS N N 15 113.507 0.300 . 1 . . . . 61 CYS N . 11094 1 682 . 1 1 62 62 LEU H H 1 7.827 0.030 . 1 . . . . 62 LEU H . 11094 1 683 . 1 1 62 62 LEU HA H 1 4.658 0.030 . 1 . . . . 62 LEU HA . 11094 1 684 . 1 1 62 62 LEU HB2 H 1 2.208 0.030 . 2 . . . . 62 LEU HB2 . 11094 1 685 . 1 1 62 62 LEU HB3 H 1 1.082 0.030 . 2 . . . . 62 LEU HB3 . 11094 1 686 . 1 1 62 62 LEU HD11 H 1 0.739 0.030 . 1 . . . . 62 LEU HD1 . 11094 1 687 . 1 1 62 62 LEU HD12 H 1 0.739 0.030 . 1 . . . . 62 LEU HD1 . 11094 1 688 . 1 1 62 62 LEU HD13 H 1 0.739 0.030 . 1 . . . . 62 LEU HD1 . 11094 1 689 . 1 1 62 62 LEU HD21 H 1 0.582 0.030 . 1 . . . . 62 LEU HD2 . 11094 1 690 . 1 1 62 62 LEU HD22 H 1 0.582 0.030 . 1 . . . . 62 LEU HD2 . 11094 1 691 . 1 1 62 62 LEU HD23 H 1 0.582 0.030 . 1 . . . . 62 LEU HD2 . 11094 1 692 . 1 1 62 62 LEU HG H 1 2.012 0.030 . 1 . . . . 62 LEU HG . 11094 1 693 . 1 1 62 62 LEU C C 13 176.545 0.300 . 1 . . . . 62 LEU C . 11094 1 694 . 1 1 62 62 LEU CA C 13 55.788 0.300 . 1 . . . . 62 LEU CA . 11094 1 695 . 1 1 62 62 LEU CB C 13 41.418 0.300 . 1 . . . . 62 LEU CB . 11094 1 696 . 1 1 62 62 LEU CD1 C 13 26.415 0.300 . 2 . . . . 62 LEU CD1 . 11094 1 697 . 1 1 62 62 LEU CD2 C 13 23.639 0.300 . 2 . . . . 62 LEU CD2 . 11094 1 698 . 1 1 62 62 LEU CG C 13 26.824 0.300 . 1 . . . . 62 LEU CG . 11094 1 699 . 1 1 62 62 LEU N N 15 123.973 0.300 . 1 . . . . 62 LEU N . 11094 1 700 . 1 1 63 63 ARG H H 1 9.304 0.030 . 1 . . . . 63 ARG H . 11094 1 701 . 1 1 63 63 ARG HA H 1 4.437 0.030 . 1 . . . . 63 ARG HA . 11094 1 702 . 1 1 63 63 ARG HB2 H 1 1.528 0.030 . 2 . . . . 63 ARG HB2 . 11094 1 703 . 1 1 63 63 ARG HB3 H 1 1.876 0.030 . 2 . . . . 63 ARG HB3 . 11094 1 704 . 1 1 63 63 ARG HD2 H 1 3.034 0.030 . 1 . . . . 63 ARG HD2 . 11094 1 705 . 1 1 63 63 ARG HD3 H 1 3.034 0.030 . 1 . . . . 63 ARG HD3 . 11094 1 706 . 1 1 63 63 ARG HG2 H 1 1.722 0.030 . 2 . . . . 63 ARG HG2 . 11094 1 707 . 1 1 63 63 ARG HG3 H 1 1.685 0.030 . 2 . . . . 63 ARG HG3 . 11094 1 708 . 1 1 63 63 ARG C C 13 177.887 0.300 . 1 . . . . 63 ARG C . 11094 1 709 . 1 1 63 63 ARG CA C 13 57.755 0.300 . 1 . . . . 63 ARG CA . 11094 1 710 . 1 1 63 63 ARG CB C 13 32.005 0.300 . 1 . . . . 63 ARG CB . 11094 1 711 . 1 1 63 63 ARG CD C 13 43.432 0.300 . 1 . . . . 63 ARG CD . 11094 1 712 . 1 1 63 63 ARG CG C 13 27.560 0.300 . 1 . . . . 63 ARG CG . 11094 1 713 . 1 1 63 63 ARG N N 15 124.523 0.300 . 1 . . . . 63 ARG N . 11094 1 714 . 1 1 64 64 ARG H H 1 7.644 0.030 . 1 . . . . 64 ARG H . 11094 1 715 . 1 1 64 64 ARG HA H 1 4.986 0.030 . 1 . . . . 64 ARG HA . 11094 1 716 . 1 1 64 64 ARG HB2 H 1 0.942 0.030 . 2 . . . . 64 ARG HB2 . 11094 1 717 . 1 1 64 64 ARG HB3 H 1 1.662 0.030 . 2 . . . . 64 ARG HB3 . 11094 1 718 . 1 1 64 64 ARG HD2 H 1 2.418 0.030 . 2 . . . . 64 ARG HD2 . 11094 1 719 . 1 1 64 64 ARG HD3 H 1 1.489 0.030 . 2 . . . . 64 ARG HD3 . 11094 1 720 . 1 1 64 64 ARG HE H 1 7.238 0.030 . 1 . . . . 64 ARG HE . 11094 1 721 . 1 1 64 64 ARG HG2 H 1 1.121 0.030 . 2 . . . . 64 ARG HG2 . 11094 1 722 . 1 1 64 64 ARG HG3 H 1 0.965 0.030 . 2 . . . . 64 ARG HG3 . 11094 1 723 . 1 1 64 64 ARG C C 13 174.002 0.300 . 1 . . . . 64 ARG C . 11094 1 724 . 1 1 64 64 ARG CA C 13 54.611 0.300 . 1 . . . . 64 ARG CA . 11094 1 725 . 1 1 64 64 ARG CB C 13 32.910 0.300 . 1 . . . . 64 ARG CB . 11094 1 726 . 1 1 64 64 ARG CD C 13 42.890 0.300 . 1 . . . . 64 ARG CD . 11094 1 727 . 1 1 64 64 ARG CG C 13 26.087 0.300 . 1 . . . . 64 ARG CG . 11094 1 728 . 1 1 64 64 ARG N N 15 110.475 0.300 . 1 . . . . 64 ARG N . 11094 1 729 . 1 1 64 64 ARG NE N 15 84.734 0.300 . 1 . . . . 64 ARG NE . 11094 1 730 . 1 1 65 65 TYR H H 1 8.563 0.030 . 1 . . . . 65 TYR H . 11094 1 731 . 1 1 65 65 TYR HA H 1 5.623 0.030 . 1 . . . . 65 TYR HA . 11094 1 732 . 1 1 65 65 TYR HB2 H 1 3.226 0.030 . 2 . . . . 65 TYR HB2 . 11094 1 733 . 1 1 65 65 TYR HB3 H 1 3.116 0.030 . 2 . . . . 65 TYR HB3 . 11094 1 734 . 1 1 65 65 TYR HD1 H 1 6.674 0.030 . 1 . . . . 65 TYR HD1 . 11094 1 735 . 1 1 65 65 TYR HD2 H 1 6.674 0.030 . 1 . . . . 65 TYR HD2 . 11094 1 736 . 1 1 65 65 TYR HE1 H 1 6.097 0.030 . 1 . . . . 65 TYR HE1 . 11094 1 737 . 1 1 65 65 TYR HE2 H 1 6.097 0.030 . 1 . . . . 65 TYR HE2 . 11094 1 738 . 1 1 65 65 TYR C C 13 172.804 0.300 . 1 . . . . 65 TYR C . 11094 1 739 . 1 1 65 65 TYR CA C 13 56.926 0.300 . 1 . . . . 65 TYR CA . 11094 1 740 . 1 1 65 65 TYR CB C 13 40.264 0.300 . 1 . . . . 65 TYR CB . 11094 1 741 . 1 1 65 65 TYR CD1 C 13 133.383 0.300 . 1 . . . . 65 TYR CD1 . 11094 1 742 . 1 1 65 65 TYR CD2 C 13 133.383 0.300 . 1 . . . . 65 TYR CD2 . 11094 1 743 . 1 1 65 65 TYR CE1 C 13 117.882 0.300 . 1 . . . . 65 TYR CE1 . 11094 1 744 . 1 1 65 65 TYR CE2 C 13 117.882 0.300 . 1 . . . . 65 TYR CE2 . 11094 1 745 . 1 1 65 65 TYR N N 15 116.493 0.300 . 1 . . . . 65 TYR N . 11094 1 746 . 1 1 66 66 GLY H H 1 9.461 0.030 . 1 . . . . 66 GLY H . 11094 1 747 . 1 1 66 66 GLY HA2 H 1 4.165 0.030 . 2 . . . . 66 GLY HA2 . 11094 1 748 . 1 1 66 66 GLY HA3 H 1 5.137 0.030 . 2 . . . . 66 GLY HA3 . 11094 1 749 . 1 1 66 66 GLY C C 13 170.374 0.300 . 1 . . . . 66 GLY C . 11094 1 750 . 1 1 66 66 GLY CA C 13 47.454 0.300 . 1 . . . . 66 GLY CA . 11094 1 751 . 1 1 66 66 GLY N N 15 107.152 0.300 . 1 . . . . 66 GLY N . 11094 1 752 . 1 1 67 67 TYR H H 1 7.882 0.030 . 1 . . . . 67 TYR H . 11094 1 753 . 1 1 67 67 TYR HA H 1 5.908 0.030 . 1 . . . . 67 TYR HA . 11094 1 754 . 1 1 67 67 TYR HB2 H 1 3.300 0.030 . 2 . . . . 67 TYR HB2 . 11094 1 755 . 1 1 67 67 TYR HB3 H 1 2.923 0.030 . 2 . . . . 67 TYR HB3 . 11094 1 756 . 1 1 67 67 TYR HD1 H 1 6.229 0.030 . 1 . . . . 67 TYR HD1 . 11094 1 757 . 1 1 67 67 TYR HD2 H 1 6.229 0.030 . 1 . . . . 67 TYR HD2 . 11094 1 758 . 1 1 67 67 TYR HE1 H 1 6.248 0.030 . 1 . . . . 67 TYR HE1 . 11094 1 759 . 1 1 67 67 TYR HE2 H 1 6.248 0.030 . 1 . . . . 67 TYR HE2 . 11094 1 760 . 1 1 67 67 TYR C C 13 173.675 0.300 . 1 . . . . 67 TYR C . 11094 1 761 . 1 1 67 67 TYR CA C 13 56.661 0.300 . 1 . . . . 67 TYR CA . 11094 1 762 . 1 1 67 67 TYR CB C 13 42.340 0.300 . 1 . . . . 67 TYR CB . 11094 1 763 . 1 1 67 67 TYR CD1 C 13 132.728 0.300 . 1 . . . . 67 TYR CD1 . 11094 1 764 . 1 1 67 67 TYR CD2 C 13 132.728 0.300 . 1 . . . . 67 TYR CD2 . 11094 1 765 . 1 1 67 67 TYR CE1 C 13 118.019 0.300 . 1 . . . . 67 TYR CE1 . 11094 1 766 . 1 1 67 67 TYR CE2 C 13 118.019 0.300 . 1 . . . . 67 TYR CE2 . 11094 1 767 . 1 1 67 67 TYR N N 15 114.727 0.300 . 1 . . . . 67 TYR N . 11094 1 768 . 1 1 68 68 ASP H H 1 9.207 0.030 . 1 . . . . 68 ASP H . 11094 1 769 . 1 1 68 68 ASP HA H 1 4.185 0.030 . 1 . . . . 68 ASP HA . 11094 1 770 . 1 1 68 68 ASP HB2 H 1 2.420 0.030 . 2 . . . . 68 ASP HB2 . 11094 1 771 . 1 1 68 68 ASP HB3 H 1 2.724 0.030 . 2 . . . . 68 ASP HB3 . 11094 1 772 . 1 1 68 68 ASP C C 13 176.199 0.300 . 1 . . . . 68 ASP C . 11094 1 773 . 1 1 68 68 ASP CA C 13 53.645 0.300 . 1 . . . . 68 ASP CA . 11094 1 774 . 1 1 68 68 ASP CB C 13 45.115 0.300 . 1 . . . . 68 ASP CB . 11094 1 775 . 1 1 68 68 ASP N N 15 121.594 0.300 . 1 . . . . 68 ASP N . 11094 1 776 . 1 1 69 69 SER H H 1 9.046 0.030 . 1 . . . . 69 SER H . 11094 1 777 . 1 1 69 69 SER HA H 1 4.160 0.030 . 1 . . . . 69 SER HA . 11094 1 778 . 1 1 69 69 SER HB2 H 1 3.941 0.030 . 2 . . . . 69 SER HB2 . 11094 1 779 . 1 1 69 69 SER HB3 H 1 3.869 0.030 . 2 . . . . 69 SER HB3 . 11094 1 780 . 1 1 69 69 SER C C 13 174.744 0.300 . 1 . . . . 69 SER C . 11094 1 781 . 1 1 69 69 SER CA C 13 61.127 0.300 . 1 . . . . 69 SER CA . 11094 1 782 . 1 1 69 69 SER CB C 13 62.388 0.300 . 1 . . . . 69 SER CB . 11094 1 783 . 1 1 69 69 SER N N 15 117.264 0.300 . 1 . . . . 69 SER N . 11094 1 784 . 1 1 70 70 ASN H H 1 8.686 0.030 . 1 . . . . 70 ASN H . 11094 1 785 . 1 1 70 70 ASN HA H 1 5.200 0.030 . 1 . . . . 70 ASN HA . 11094 1 786 . 1 1 70 70 ASN HB2 H 1 2.911 0.030 . 2 . . . . 70 ASN HB2 . 11094 1 787 . 1 1 70 70 ASN HB3 H 1 2.805 0.030 . 2 . . . . 70 ASN HB3 . 11094 1 788 . 1 1 70 70 ASN HD21 H 1 7.526 0.030 . 2 . . . . 70 ASN HD21 . 11094 1 789 . 1 1 70 70 ASN HD22 H 1 6.844 0.030 . 2 . . . . 70 ASN HD22 . 11094 1 790 . 1 1 70 70 ASN C C 13 174.868 0.300 . 1 . . . . 70 ASN C . 11094 1 791 . 1 1 70 70 ASN CA C 13 53.188 0.300 . 1 . . . . 70 ASN CA . 11094 1 792 . 1 1 70 70 ASN CB C 13 38.911 0.300 . 1 . . . . 70 ASN CB . 11094 1 793 . 1 1 70 70 ASN N N 15 119.782 0.300 . 1 . . . . 70 ASN N . 11094 1 794 . 1 1 70 70 ASN ND2 N 15 111.956 0.300 . 1 . . . . 70 ASN ND2 . 11094 1 795 . 1 1 71 71 LEU H H 1 8.120 0.030 . 1 . . . . 71 LEU H . 11094 1 796 . 1 1 71 71 LEU HA H 1 5.203 0.030 . 1 . . . . 71 LEU HA . 11094 1 797 . 1 1 71 71 LEU HB2 H 1 1.244 0.030 . 2 . . . . 71 LEU HB2 . 11094 1 798 . 1 1 71 71 LEU HB3 H 1 1.451 0.030 . 2 . . . . 71 LEU HB3 . 11094 1 799 . 1 1 71 71 LEU HD11 H 1 0.561 0.030 . 1 . . . . 71 LEU HD1 . 11094 1 800 . 1 1 71 71 LEU HD12 H 1 0.561 0.030 . 1 . . . . 71 LEU HD1 . 11094 1 801 . 1 1 71 71 LEU HD13 H 1 0.561 0.030 . 1 . . . . 71 LEU HD1 . 11094 1 802 . 1 1 71 71 LEU HD21 H 1 0.682 0.030 . 1 . . . . 71 LEU HD2 . 11094 1 803 . 1 1 71 71 LEU HD22 H 1 0.682 0.030 . 1 . . . . 71 LEU HD2 . 11094 1 804 . 1 1 71 71 LEU HD23 H 1 0.682 0.030 . 1 . . . . 71 LEU HD2 . 11094 1 805 . 1 1 71 71 LEU HG H 1 1.091 0.030 . 1 . . . . 71 LEU HG . 11094 1 806 . 1 1 71 71 LEU C C 13 173.921 0.300 . 1 . . . . 71 LEU C . 11094 1 807 . 1 1 71 71 LEU CA C 13 54.681 0.300 . 1 . . . . 71 LEU CA . 11094 1 808 . 1 1 71 71 LEU CB C 13 47.075 0.300 . 1 . . . . 71 LEU CB . 11094 1 809 . 1 1 71 71 LEU CD1 C 13 25.872 0.300 . 2 . . . . 71 LEU CD1 . 11094 1 810 . 1 1 71 71 LEU CD2 C 13 23.856 0.300 . 2 . . . . 71 LEU CD2 . 11094 1 811 . 1 1 71 71 LEU CG C 13 27.324 0.300 . 1 . . . . 71 LEU CG . 11094 1 812 . 1 1 71 71 LEU N N 15 122.995 0.300 . 1 . . . . 71 LEU N . 11094 1 813 . 1 1 72 72 PHE H H 1 9.352 0.030 . 1 . . . . 72 PHE H . 11094 1 814 . 1 1 72 72 PHE HA H 1 5.535 0.030 . 1 . . . . 72 PHE HA . 11094 1 815 . 1 1 72 72 PHE HB2 H 1 3.160 0.030 . 2 . . . . 72 PHE HB2 . 11094 1 816 . 1 1 72 72 PHE HB3 H 1 2.751 0.030 . 2 . . . . 72 PHE HB3 . 11094 1 817 . 1 1 72 72 PHE HD1 H 1 7.294 0.030 . 1 . . . . 72 PHE HD1 . 11094 1 818 . 1 1 72 72 PHE HD2 H 1 7.294 0.030 . 1 . . . . 72 PHE HD2 . 11094 1 819 . 1 1 72 72 PHE HE1 H 1 7.159 0.030 . 1 . . . . 72 PHE HE1 . 11094 1 820 . 1 1 72 72 PHE HE2 H 1 7.159 0.030 . 1 . . . . 72 PHE HE2 . 11094 1 821 . 1 1 72 72 PHE HZ H 1 6.911 0.030 . 1 . . . . 72 PHE HZ . 11094 1 822 . 1 1 72 72 PHE C C 13 173.769 0.300 . 1 . . . . 72 PHE C . 11094 1 823 . 1 1 72 72 PHE CA C 13 55.715 0.300 . 1 . . . . 72 PHE CA . 11094 1 824 . 1 1 72 72 PHE CB C 13 43.966 0.300 . 1 . . . . 72 PHE CB . 11094 1 825 . 1 1 72 72 PHE CE1 C 13 130.748 0.300 . 1 . . . . 72 PHE CE1 . 11094 1 826 . 1 1 72 72 PHE CE2 C 13 130.748 0.300 . 1 . . . . 72 PHE CE2 . 11094 1 827 . 1 1 72 72 PHE CZ C 13 129.528 0.300 . 1 . . . . 72 PHE CZ . 11094 1 828 . 1 1 72 72 PHE N N 15 125.814 0.300 . 1 . . . . 72 PHE N . 11094 1 829 . 1 1 73 73 SER H H 1 8.104 0.030 . 1 . . . . 73 SER H . 11094 1 830 . 1 1 73 73 SER HA H 1 5.216 0.030 . 1 . . . . 73 SER HA . 11094 1 831 . 1 1 73 73 SER HB2 H 1 2.956 0.030 . 2 . . . . 73 SER HB2 . 11094 1 832 . 1 1 73 73 SER HB3 H 1 2.643 0.030 . 2 . . . . 73 SER HB3 . 11094 1 833 . 1 1 73 73 SER C C 13 171.282 0.300 . 1 . . . . 73 SER C . 11094 1 834 . 1 1 73 73 SER CA C 13 55.472 0.300 . 1 . . . . 73 SER CA . 11094 1 835 . 1 1 73 73 SER CB C 13 66.589 0.300 . 1 . . . . 73 SER CB . 11094 1 836 . 1 1 73 73 SER N N 15 120.743 0.300 . 1 . . . . 73 SER N . 11094 1 837 . 1 1 74 74 PHE H H 1 8.052 0.030 . 1 . . . . 74 PHE H . 11094 1 838 . 1 1 74 74 PHE HA H 1 5.378 0.030 . 1 . . . . 74 PHE HA . 11094 1 839 . 1 1 74 74 PHE HB2 H 1 3.180 0.030 . 2 . . . . 74 PHE HB2 . 11094 1 840 . 1 1 74 74 PHE HB3 H 1 2.964 0.030 . 2 . . . . 74 PHE HB3 . 11094 1 841 . 1 1 74 74 PHE HD1 H 1 6.583 0.030 . 1 . . . . 74 PHE HD1 . 11094 1 842 . 1 1 74 74 PHE HD2 H 1 6.583 0.030 . 1 . . . . 74 PHE HD2 . 11094 1 843 . 1 1 74 74 PHE HE1 H 1 5.882 0.030 . 1 . . . . 74 PHE HE1 . 11094 1 844 . 1 1 74 74 PHE HE2 H 1 5.882 0.030 . 1 . . . . 74 PHE HE2 . 11094 1 845 . 1 1 74 74 PHE HZ H 1 4.432 0.030 . 1 . . . . 74 PHE HZ . 11094 1 846 . 1 1 74 74 PHE C C 13 171.014 0.300 . 1 . . . . 74 PHE C . 11094 1 847 . 1 1 74 74 PHE CA C 13 56.596 0.300 . 1 . . . . 74 PHE CA . 11094 1 848 . 1 1 74 74 PHE CB C 13 41.752 0.300 . 1 . . . . 74 PHE CB . 11094 1 849 . 1 1 74 74 PHE CD1 C 13 131.766 0.300 . 1 . . . . 74 PHE CD1 . 11094 1 850 . 1 1 74 74 PHE CD2 C 13 131.766 0.300 . 1 . . . . 74 PHE CD2 . 11094 1 851 . 1 1 74 74 PHE CE1 C 13 129.921 0.300 . 1 . . . . 74 PHE CE1 . 11094 1 852 . 1 1 74 74 PHE CE2 C 13 129.921 0.300 . 1 . . . . 74 PHE CE2 . 11094 1 853 . 1 1 74 74 PHE CZ C 13 129.344 0.300 . 1 . . . . 74 PHE CZ . 11094 1 854 . 1 1 74 74 PHE N N 15 117.300 0.300 . 1 . . . . 74 PHE N . 11094 1 855 . 1 1 75 75 GLU H H 1 8.865 0.030 . 1 . . . . 75 GLU H . 11094 1 856 . 1 1 75 75 GLU HA H 1 5.858 0.030 . 1 . . . . 75 GLU HA . 11094 1 857 . 1 1 75 75 GLU HB2 H 1 2.035 0.030 . 2 . . . . 75 GLU HB2 . 11094 1 858 . 1 1 75 75 GLU HB3 H 1 1.632 0.030 . 2 . . . . 75 GLU HB3 . 11094 1 859 . 1 1 75 75 GLU HG2 H 1 2.317 0.030 . 1 . . . . 75 GLU HG2 . 11094 1 860 . 1 1 75 75 GLU HG3 H 1 2.317 0.030 . 1 . . . . 75 GLU HG3 . 11094 1 861 . 1 1 75 75 GLU C C 13 175.940 0.300 . 1 . . . . 75 GLU C . 11094 1 862 . 1 1 75 75 GLU CA C 13 52.704 0.300 . 1 . . . . 75 GLU CA . 11094 1 863 . 1 1 75 75 GLU CB C 13 34.389 0.300 . 1 . . . . 75 GLU CB . 11094 1 864 . 1 1 75 75 GLU CG C 13 35.540 0.300 . 1 . . . . 75 GLU CG . 11094 1 865 . 1 1 75 75 GLU N N 15 119.960 0.300 . 1 . . . . 75 GLU N . 11094 1 866 . 1 1 76 76 SER H H 1 9.929 0.030 . 1 . . . . 76 SER H . 11094 1 867 . 1 1 76 76 SER HA H 1 5.191 0.030 . 1 . . . . 76 SER HA . 11094 1 868 . 1 1 76 76 SER HB2 H 1 4.062 0.030 . 2 . . . . 76 SER HB2 . 11094 1 869 . 1 1 76 76 SER HB3 H 1 4.982 0.030 . 2 . . . . 76 SER HB3 . 11094 1 870 . 1 1 76 76 SER C C 13 175.591 0.300 . 1 . . . . 76 SER C . 11094 1 871 . 1 1 76 76 SER CA C 13 57.343 0.300 . 1 . . . . 76 SER CA . 11094 1 872 . 1 1 76 76 SER CB C 13 68.627 0.300 . 1 . . . . 76 SER CB . 11094 1 873 . 1 1 76 76 SER N N 15 123.543 0.300 . 1 . . . . 76 SER N . 11094 1 874 . 1 1 77 77 GLY H H 1 8.674 0.030 . 1 . . . . 77 GLY H . 11094 1 875 . 1 1 77 77 GLY HA2 H 1 4.048 0.030 . 2 . . . . 77 GLY HA2 . 11094 1 876 . 1 1 77 77 GLY HA3 H 1 4.382 0.030 . 2 . . . . 77 GLY HA3 . 11094 1 877 . 1 1 77 77 GLY C C 13 172.568 0.300 . 1 . . . . 77 GLY C . 11094 1 878 . 1 1 77 77 GLY CA C 13 43.481 0.300 . 1 . . . . 77 GLY CA . 11094 1 879 . 1 1 77 77 GLY N N 15 106.871 0.300 . 1 . . . . 77 GLY N . 11094 1 880 . 1 1 78 78 ARG H H 1 8.332 0.030 . 1 . . . . 78 ARG H . 11094 1 881 . 1 1 78 78 ARG HA H 1 4.055 0.030 . 1 . . . . 78 ARG HA . 11094 1 882 . 1 1 78 78 ARG HB2 H 1 1.879 0.030 . 1 . . . . 78 ARG HB2 . 11094 1 883 . 1 1 78 78 ARG HB3 H 1 1.879 0.030 . 1 . . . . 78 ARG HB3 . 11094 1 884 . 1 1 78 78 ARG HD2 H 1 3.227 0.030 . 1 . . . . 78 ARG HD2 . 11094 1 885 . 1 1 78 78 ARG HD3 H 1 3.227 0.030 . 1 . . . . 78 ARG HD3 . 11094 1 886 . 1 1 78 78 ARG HG2 H 1 1.720 0.030 . 1 . . . . 78 ARG HG2 . 11094 1 887 . 1 1 78 78 ARG HG3 H 1 1.720 0.030 . 1 . . . . 78 ARG HG3 . 11094 1 888 . 1 1 78 78 ARG C C 13 178.750 0.300 . 1 . . . . 78 ARG C . 11094 1 889 . 1 1 78 78 ARG CA C 13 58.791 0.300 . 1 . . . . 78 ARG CA . 11094 1 890 . 1 1 78 78 ARG CB C 13 31.512 0.300 . 1 . . . . 78 ARG CB . 11094 1 891 . 1 1 78 78 ARG CD C 13 43.596 0.300 . 1 . . . . 78 ARG CD . 11094 1 892 . 1 1 78 78 ARG CG C 13 27.896 0.300 . 1 . . . . 78 ARG CG . 11094 1 893 . 1 1 78 78 ARG N N 15 113.657 0.300 . 1 . . . . 78 ARG N . 11094 1 894 . 1 1 79 79 ARG H H 1 8.585 0.030 . 1 . . . . 79 ARG H . 11094 1 895 . 1 1 79 79 ARG HA H 1 4.495 0.030 . 1 . . . . 79 ARG HA . 11094 1 896 . 1 1 79 79 ARG HB2 H 1 1.719 0.030 . 2 . . . . 79 ARG HB2 . 11094 1 897 . 1 1 79 79 ARG HB3 H 1 1.532 0.030 . 2 . . . . 79 ARG HB3 . 11094 1 898 . 1 1 79 79 ARG HD2 H 1 3.161 0.030 . 1 . . . . 79 ARG HD2 . 11094 1 899 . 1 1 79 79 ARG HD3 H 1 3.161 0.030 . 1 . . . . 79 ARG HD3 . 11094 1 900 . 1 1 79 79 ARG HG2 H 1 1.632 0.030 . 2 . . . . 79 ARG HG2 . 11094 1 901 . 1 1 79 79 ARG HG3 H 1 1.823 0.030 . 2 . . . . 79 ARG HG3 . 11094 1 902 . 1 1 79 79 ARG C C 13 174.534 0.300 . 1 . . . . 79 ARG C . 11094 1 903 . 1 1 79 79 ARG CA C 13 55.647 0.300 . 1 . . . . 79 ARG CA . 11094 1 904 . 1 1 79 79 ARG CB C 13 27.402 0.300 . 1 . . . . 79 ARG CB . 11094 1 905 . 1 1 79 79 ARG CD C 13 43.596 0.300 . 1 . . . . 79 ARG CD . 11094 1 906 . 1 1 79 79 ARG CG C 13 27.584 0.300 . 1 . . . . 79 ARG CG . 11094 1 907 . 1 1 79 79 ARG N N 15 120.866 0.300 . 1 . . . . 79 ARG N . 11094 1 908 . 1 1 80 80 CYS H H 1 8.359 0.030 . 1 . . . . 80 CYS H . 11094 1 909 . 1 1 80 80 CYS HA H 1 4.780 0.030 . 1 . . . . 80 CYS HA . 11094 1 910 . 1 1 80 80 CYS HB2 H 1 3.145 0.030 . 2 . . . . 80 CYS HB2 . 11094 1 911 . 1 1 80 80 CYS HB3 H 1 3.851 0.030 . 2 . . . . 80 CYS HB3 . 11094 1 912 . 1 1 80 80 CYS C C 13 174.804 0.300 . 1 . . . . 80 CYS C . 11094 1 913 . 1 1 80 80 CYS CA C 13 56.596 0.300 . 1 . . . . 80 CYS CA . 11094 1 914 . 1 1 80 80 CYS CB C 13 30.033 0.300 . 1 . . . . 80 CYS CB . 11094 1 915 . 1 1 80 80 CYS N N 15 114.926 0.300 . 1 . . . . 80 CYS N . 11094 1 916 . 1 1 81 81 GLN H H 1 9.301 0.030 . 1 . . . . 81 GLN H . 11094 1 917 . 1 1 81 81 GLN HA H 1 4.014 0.030 . 1 . . . . 81 GLN HA . 11094 1 918 . 1 1 81 81 GLN HB2 H 1 1.943 0.030 . 2 . . . . 81 GLN HB2 . 11094 1 919 . 1 1 81 81 GLN HB3 H 1 2.130 0.030 . 2 . . . . 81 GLN HB3 . 11094 1 920 . 1 1 81 81 GLN HE21 H 1 7.502 0.030 . 2 . . . . 81 GLN HE21 . 11094 1 921 . 1 1 81 81 GLN HE22 H 1 6.919 0.030 . 2 . . . . 81 GLN HE22 . 11094 1 922 . 1 1 81 81 GLN HG2 H 1 2.310 0.030 . 2 . . . . 81 GLN HG2 . 11094 1 923 . 1 1 81 81 GLN HG3 H 1 2.227 0.030 . 2 . . . . 81 GLN HG3 . 11094 1 924 . 1 1 81 81 GLN C C 13 178.755 0.300 . 1 . . . . 81 GLN C . 11094 1 925 . 1 1 81 81 GLN CA C 13 59.616 0.300 . 1 . . . . 81 GLN CA . 11094 1 926 . 1 1 81 81 GLN CB C 13 28.840 0.300 . 1 . . . . 81 GLN CB . 11094 1 927 . 1 1 81 81 GLN CG C 13 33.784 0.300 . 1 . . . . 81 GLN CG . 11094 1 928 . 1 1 81 81 GLN N N 15 122.898 0.300 . 1 . . . . 81 GLN N . 11094 1 929 . 1 1 81 81 GLN NE2 N 15 111.769 0.300 . 1 . . . . 81 GLN NE2 . 11094 1 930 . 1 1 82 82 THR H H 1 8.450 0.030 . 1 . . . . 82 THR H . 11094 1 931 . 1 1 82 82 THR HA H 1 4.141 0.030 . 1 . . . . 82 THR HA . 11094 1 932 . 1 1 82 82 THR HB H 1 4.466 0.030 . 1 . . . . 82 THR HB . 11094 1 933 . 1 1 82 82 THR HG21 H 1 0.978 0.030 . 1 . . . . 82 THR HG2 . 11094 1 934 . 1 1 82 82 THR HG22 H 1 0.978 0.030 . 1 . . . . 82 THR HG2 . 11094 1 935 . 1 1 82 82 THR HG23 H 1 0.978 0.030 . 1 . . . . 82 THR HG2 . 11094 1 936 . 1 1 82 82 THR C C 13 176.928 0.300 . 1 . . . . 82 THR C . 11094 1 937 . 1 1 82 82 THR CA C 13 63.568 0.300 . 1 . . . . 82 THR CA . 11094 1 938 . 1 1 82 82 THR CB C 13 70.970 0.300 . 1 . . . . 82 THR CB . 11094 1 939 . 1 1 82 82 THR CG2 C 13 20.990 0.300 . 1 . . . . 82 THR CG2 . 11094 1 940 . 1 1 82 82 THR N N 15 107.330 0.300 . 1 . . . . 82 THR N . 11094 1 941 . 1 1 83 83 GLY H H 1 7.842 0.030 . 1 . . . . 83 GLY H . 11094 1 942 . 1 1 83 83 GLY HA2 H 1 4.321 0.030 . 2 . . . . 83 GLY HA2 . 11094 1 943 . 1 1 83 83 GLY HA3 H 1 3.992 0.030 . 2 . . . . 83 GLY HA3 . 11094 1 944 . 1 1 83 83 GLY C C 13 173.263 0.300 . 1 . . . . 83 GLY C . 11094 1 945 . 1 1 83 83 GLY CA C 13 44.706 0.300 . 1 . . . . 83 GLY CA . 11094 1 946 . 1 1 83 83 GLY N N 15 113.662 0.300 . 1 . . . . 83 GLY N . 11094 1 947 . 1 1 84 84 GLN H H 1 8.717 0.030 . 1 . . . . 84 GLN H . 11094 1 948 . 1 1 84 84 GLN HA H 1 4.277 0.030 . 1 . . . . 84 GLN HA . 11094 1 949 . 1 1 84 84 GLN HB2 H 1 1.960 0.030 . 2 . . . . 84 GLN HB2 . 11094 1 950 . 1 1 84 84 GLN HB3 H 1 1.851 0.030 . 2 . . . . 84 GLN HB3 . 11094 1 951 . 1 1 84 84 GLN HE21 H 1 7.753 0.030 . 2 . . . . 84 GLN HE21 . 11094 1 952 . 1 1 84 84 GLN HE22 H 1 6.815 0.030 . 2 . . . . 84 GLN HE22 . 11094 1 953 . 1 1 84 84 GLN HG2 H 1 2.558 0.030 . 2 . . . . 84 GLN HG2 . 11094 1 954 . 1 1 84 84 GLN HG3 H 1 2.510 0.030 . 2 . . . . 84 GLN HG3 . 11094 1 955 . 1 1 84 84 GLN C C 13 176.864 0.300 . 1 . . . . 84 GLN C . 11094 1 956 . 1 1 84 84 GLN CA C 13 55.683 0.300 . 1 . . . . 84 GLN CA . 11094 1 957 . 1 1 84 84 GLN CB C 13 28.758 0.300 . 1 . . . . 84 GLN CB . 11094 1 958 . 1 1 84 84 GLN CG C 13 33.074 0.300 . 1 . . . . 84 GLN CG . 11094 1 959 . 1 1 84 84 GLN N N 15 121.379 0.300 . 1 . . . . 84 GLN N . 11094 1 960 . 1 1 84 84 GLN NE2 N 15 110.838 0.300 . 1 . . . . 84 GLN NE2 . 11094 1 961 . 1 1 85 85 GLY H H 1 8.075 0.030 . 1 . . . . 85 GLY H . 11094 1 962 . 1 1 85 85 GLY HA2 H 1 3.434 0.030 . 2 . . . . 85 GLY HA2 . 11094 1 963 . 1 1 85 85 GLY HA3 H 1 3.789 0.030 . 2 . . . . 85 GLY HA3 . 11094 1 964 . 1 1 85 85 GLY C C 13 168.889 0.300 . 1 . . . . 85 GLY C . 11094 1 965 . 1 1 85 85 GLY CA C 13 45.479 0.300 . 1 . . . . 85 GLY CA . 11094 1 966 . 1 1 85 85 GLY N N 15 112.683 0.300 . 1 . . . . 85 GLY N . 11094 1 967 . 1 1 86 86 ILE H H 1 7.912 0.030 . 1 . . . . 86 ILE H . 11094 1 968 . 1 1 86 86 ILE HA H 1 4.372 0.030 . 1 . . . . 86 ILE HA . 11094 1 969 . 1 1 86 86 ILE HB H 1 1.313 0.030 . 1 . . . . 86 ILE HB . 11094 1 970 . 1 1 86 86 ILE HD11 H 1 0.522 0.030 . 1 . . . . 86 ILE HD1 . 11094 1 971 . 1 1 86 86 ILE HD12 H 1 0.522 0.030 . 1 . . . . 86 ILE HD1 . 11094 1 972 . 1 1 86 86 ILE HD13 H 1 0.522 0.030 . 1 . . . . 86 ILE HD1 . 11094 1 973 . 1 1 86 86 ILE HG12 H 1 1.591 0.030 . 2 . . . . 86 ILE HG12 . 11094 1 974 . 1 1 86 86 ILE HG13 H 1 0.572 0.030 . 2 . . . . 86 ILE HG13 . 11094 1 975 . 1 1 86 86 ILE HG21 H 1 0.483 0.030 . 1 . . . . 86 ILE HG2 . 11094 1 976 . 1 1 86 86 ILE HG22 H 1 0.483 0.030 . 1 . . . . 86 ILE HG2 . 11094 1 977 . 1 1 86 86 ILE HG23 H 1 0.483 0.030 . 1 . . . . 86 ILE HG2 . 11094 1 978 . 1 1 86 86 ILE C C 13 173.147 0.300 . 1 . . . . 86 ILE C . 11094 1 979 . 1 1 86 86 ILE CA C 13 60.389 0.300 . 1 . . . . 86 ILE CA . 11094 1 980 . 1 1 86 86 ILE CB C 13 38.336 0.300 . 1 . . . . 86 ILE CB . 11094 1 981 . 1 1 86 86 ILE CD1 C 13 13.579 0.300 . 1 . . . . 86 ILE CD1 . 11094 1 982 . 1 1 86 86 ILE CG1 C 13 28.006 0.300 . 1 . . . . 86 ILE CG1 . 11094 1 983 . 1 1 86 86 ILE CG2 C 13 18.646 0.300 . 1 . . . . 86 ILE CG2 . 11094 1 984 . 1 1 86 86 ILE N N 15 120.348 0.300 . 1 . . . . 86 ILE N . 11094 1 985 . 1 1 87 87 PHE H H 1 8.222 0.030 . 1 . . . . 87 PHE H . 11094 1 986 . 1 1 87 87 PHE HA H 1 4.719 0.030 . 1 . . . . 87 PHE HA . 11094 1 987 . 1 1 87 87 PHE HB2 H 1 2.432 0.030 . 2 . . . . 87 PHE HB2 . 11094 1 988 . 1 1 87 87 PHE HB3 H 1 1.453 0.030 . 2 . . . . 87 PHE HB3 . 11094 1 989 . 1 1 87 87 PHE HD1 H 1 6.729 0.030 . 1 . . . . 87 PHE HD1 . 11094 1 990 . 1 1 87 87 PHE HD2 H 1 6.729 0.030 . 1 . . . . 87 PHE HD2 . 11094 1 991 . 1 1 87 87 PHE HE1 H 1 7.331 0.030 . 1 . . . . 87 PHE HE1 . 11094 1 992 . 1 1 87 87 PHE HE2 H 1 7.331 0.030 . 1 . . . . 87 PHE HE2 . 11094 1 993 . 1 1 87 87 PHE HZ H 1 7.043 0.030 . 1 . . . . 87 PHE HZ . 11094 1 994 . 1 1 87 87 PHE C C 13 174.685 0.300 . 1 . . . . 87 PHE C . 11094 1 995 . 1 1 87 87 PHE CA C 13 55.156 0.300 . 1 . . . . 87 PHE CA . 11094 1 996 . 1 1 87 87 PHE CB C 13 42.528 0.300 . 1 . . . . 87 PHE CB . 11094 1 997 . 1 1 87 87 PHE CD1 C 13 133.397 0.300 . 1 . . . . 87 PHE CD1 . 11094 1 998 . 1 1 87 87 PHE CD2 C 13 133.397 0.300 . 1 . . . . 87 PHE CD2 . 11094 1 999 . 1 1 87 87 PHE CE1 C 13 130.776 0.300 . 1 . . . . 87 PHE CE1 . 11094 1 1000 . 1 1 87 87 PHE CE2 C 13 130.776 0.300 . 1 . . . . 87 PHE CE2 . 11094 1 1001 . 1 1 87 87 PHE CZ C 13 128.171 0.300 . 1 . . . . 87 PHE CZ . 11094 1 1002 . 1 1 87 87 PHE N N 15 123.033 0.300 . 1 . . . . 87 PHE N . 11094 1 1003 . 1 1 88 88 ALA H H 1 9.404 0.030 . 1 . . . . 88 ALA H . 11094 1 1004 . 1 1 88 88 ALA HA H 1 5.029 0.030 . 1 . . . . 88 ALA HA . 11094 1 1005 . 1 1 88 88 ALA HB1 H 1 0.971 0.030 . 1 . . . . 88 ALA HB . 11094 1 1006 . 1 1 88 88 ALA HB2 H 1 0.971 0.030 . 1 . . . . 88 ALA HB . 11094 1 1007 . 1 1 88 88 ALA HB3 H 1 0.971 0.030 . 1 . . . . 88 ALA HB . 11094 1 1008 . 1 1 88 88 ALA C C 13 175.536 0.300 . 1 . . . . 88 ALA C . 11094 1 1009 . 1 1 88 88 ALA CA C 13 50.760 0.300 . 1 . . . . 88 ALA CA . 11094 1 1010 . 1 1 88 88 ALA CB C 13 23.826 0.300 . 1 . . . . 88 ALA CB . 11094 1 1011 . 1 1 88 88 ALA N N 15 125.311 0.300 . 1 . . . . 88 ALA N . 11094 1 1012 . 1 1 89 89 PHE H H 1 9.243 0.030 . 1 . . . . 89 PHE H . 11094 1 1013 . 1 1 89 89 PHE HA H 1 5.208 0.030 . 1 . . . . 89 PHE HA . 11094 1 1014 . 1 1 89 89 PHE HB2 H 1 2.827 0.030 . 2 . . . . 89 PHE HB2 . 11094 1 1015 . 1 1 89 89 PHE HB3 H 1 2.951 0.030 . 2 . . . . 89 PHE HB3 . 11094 1 1016 . 1 1 89 89 PHE HD1 H 1 7.034 0.030 . 1 . . . . 89 PHE HD1 . 11094 1 1017 . 1 1 89 89 PHE HD2 H 1 7.034 0.030 . 1 . . . . 89 PHE HD2 . 11094 1 1018 . 1 1 89 89 PHE HE1 H 1 7.173 0.030 . 1 . . . . 89 PHE HE1 . 11094 1 1019 . 1 1 89 89 PHE HE2 H 1 7.173 0.030 . 1 . . . . 89 PHE HE2 . 11094 1 1020 . 1 1 89 89 PHE HZ H 1 7.079 0.030 . 1 . . . . 89 PHE HZ . 11094 1 1021 . 1 1 89 89 PHE C C 13 174.729 0.300 . 1 . . . . 89 PHE C . 11094 1 1022 . 1 1 89 89 PHE CA C 13 56.245 0.300 . 1 . . . . 89 PHE CA . 11094 1 1023 . 1 1 89 89 PHE CB C 13 42.826 0.300 . 1 . . . . 89 PHE CB . 11094 1 1024 . 1 1 89 89 PHE CD1 C 13 131.498 0.300 . 1 . . . . 89 PHE CD1 . 11094 1 1025 . 1 1 89 89 PHE CD2 C 13 131.498 0.300 . 1 . . . . 89 PHE CD2 . 11094 1 1026 . 1 1 89 89 PHE CE1 C 13 131.535 0.300 . 1 . . . . 89 PHE CE1 . 11094 1 1027 . 1 1 89 89 PHE CE2 C 13 131.535 0.300 . 1 . . . . 89 PHE CE2 . 11094 1 1028 . 1 1 89 89 PHE CZ C 13 129.136 0.300 . 1 . . . . 89 PHE CZ . 11094 1 1029 . 1 1 89 89 PHE N N 15 117.566 0.300 . 1 . . . . 89 PHE N . 11094 1 1030 . 1 1 90 90 LYS H H 1 9.609 0.030 . 1 . . . . 90 LYS H . 11094 1 1031 . 1 1 90 90 LYS HA H 1 5.078 0.030 . 1 . . . . 90 LYS HA . 11094 1 1032 . 1 1 90 90 LYS HB2 H 1 1.684 0.030 . 2 . . . . 90 LYS HB2 . 11094 1 1033 . 1 1 90 90 LYS HB3 H 1 1.782 0.030 . 2 . . . . 90 LYS HB3 . 11094 1 1034 . 1 1 90 90 LYS HD2 H 1 1.630 0.030 . 1 . . . . 90 LYS HD2 . 11094 1 1035 . 1 1 90 90 LYS HD3 H 1 1.630 0.030 . 1 . . . . 90 LYS HD3 . 11094 1 1036 . 1 1 90 90 LYS HE2 H 1 2.892 0.030 . 1 . . . . 90 LYS HE2 . 11094 1 1037 . 1 1 90 90 LYS HE3 H 1 2.892 0.030 . 1 . . . . 90 LYS HE3 . 11094 1 1038 . 1 1 90 90 LYS HG2 H 1 1.419 0.030 . 2 . . . . 90 LYS HG2 . 11094 1 1039 . 1 1 90 90 LYS HG3 H 1 1.561 0.030 . 2 . . . . 90 LYS HG3 . 11094 1 1040 . 1 1 90 90 LYS CA C 13 56.069 0.300 . 1 . . . . 90 LYS CA . 11094 1 1041 . 1 1 90 90 LYS CB C 13 33.650 0.300 . 1 . . . . 90 LYS CB . 11094 1 1042 . 1 1 90 90 LYS CD C 13 29.775 0.300 . 1 . . . . 90 LYS CD . 11094 1 1043 . 1 1 90 90 LYS CE C 13 41.833 0.300 . 1 . . . . 90 LYS CE . 11094 1 1044 . 1 1 90 90 LYS CG C 13 25.053 0.300 . 1 . . . . 90 LYS CG . 11094 1 1045 . 1 1 90 90 LYS N N 15 126.400 0.300 . 1 . . . . 90 LYS N . 11094 1 1046 . 1 1 91 91 CYS H H 1 8.432 0.030 . 1 . . . . 91 CYS H . 11094 1 1047 . 1 1 91 91 CYS HA H 1 5.492 0.030 . 1 . . . . 91 CYS HA . 11094 1 1048 . 1 1 91 91 CYS HB2 H 1 3.215 0.030 . 2 . . . . 91 CYS HB2 . 11094 1 1049 . 1 1 91 91 CYS HB3 H 1 2.355 0.030 . 2 . . . . 91 CYS HB3 . 11094 1 1050 . 1 1 91 91 CYS CA C 13 58.812 0.300 . 1 . . . . 91 CYS CA . 11094 1 1051 . 1 1 91 91 CYS CB C 13 29.199 0.300 . 1 . . . . 91 CYS CB . 11094 1 1052 . 1 1 91 91 CYS N N 15 125.663 0.300 . 1 . . . . 91 CYS N . 11094 1 1053 . 1 1 92 92 SER HA H 1 4.696 0.030 . 1 . . . . 92 SER HA . 11094 1 1054 . 1 1 92 92 SER HB2 H 1 4.139 0.030 . 2 . . . . 92 SER HB2 . 11094 1 1055 . 1 1 92 92 SER HB3 H 1 4.049 0.030 . 2 . . . . 92 SER HB3 . 11094 1 1056 . 1 1 92 92 SER C C 13 175.067 0.300 . 1 . . . . 92 SER C . 11094 1 1057 . 1 1 92 92 SER CA C 13 61.197 0.300 . 1 . . . . 92 SER CA . 11094 1 1058 . 1 1 92 92 SER CB C 13 62.668 0.300 . 1 . . . . 92 SER CB . 11094 1 1059 . 1 1 93 93 ARG H H 1 7.865 0.030 . 1 . . . . 93 ARG H . 11094 1 1060 . 1 1 93 93 ARG HA H 1 4.993 0.030 . 1 . . . . 93 ARG HA . 11094 1 1061 . 1 1 93 93 ARG HB2 H 1 1.613 0.030 . 2 . . . . 93 ARG HB2 . 11094 1 1062 . 1 1 93 93 ARG HB3 H 1 2.702 0.030 . 2 . . . . 93 ARG HB3 . 11094 1 1063 . 1 1 93 93 ARG HD2 H 1 3.305 0.030 . 2 . . . . 93 ARG HD2 . 11094 1 1064 . 1 1 93 93 ARG HD3 H 1 3.615 0.030 . 2 . . . . 93 ARG HD3 . 11094 1 1065 . 1 1 93 93 ARG HE H 1 7.322 0.030 . 1 . . . . 93 ARG HE . 11094 1 1066 . 1 1 93 93 ARG HG2 H 1 1.838 0.030 . 2 . . . . 93 ARG HG2 . 11094 1 1067 . 1 1 93 93 ARG HG3 H 1 1.715 0.030 . 2 . . . . 93 ARG HG3 . 11094 1 1068 . 1 1 93 93 ARG C C 13 175.694 0.300 . 1 . . . . 93 ARG C . 11094 1 1069 . 1 1 93 93 ARG CA C 13 55.015 0.300 . 1 . . . . 93 ARG CA . 11094 1 1070 . 1 1 93 93 ARG CB C 13 31.512 0.300 . 1 . . . . 93 ARG CB . 11094 1 1071 . 1 1 93 93 ARG CD C 13 44.779 0.300 . 1 . . . . 93 ARG CD . 11094 1 1072 . 1 1 93 93 ARG CG C 13 26.324 0.300 . 1 . . . . 93 ARG CG . 11094 1 1073 . 1 1 93 93 ARG N N 15 121.416 0.300 . 1 . . . . 93 ARG N . 11094 1 1074 . 1 1 93 93 ARG NE N 15 84.952 0.300 . 1 . . . . 93 ARG NE . 11094 1 1075 . 1 1 94 94 ALA H H 1 7.191 0.030 . 1 . . . . 94 ALA H . 11094 1 1076 . 1 1 94 94 ALA HA H 1 3.576 0.030 . 1 . . . . 94 ALA HA . 11094 1 1077 . 1 1 94 94 ALA HB1 H 1 1.755 0.030 . 1 . . . . 94 ALA HB . 11094 1 1078 . 1 1 94 94 ALA HB2 H 1 1.755 0.030 . 1 . . . . 94 ALA HB . 11094 1 1079 . 1 1 94 94 ALA HB3 H 1 1.755 0.030 . 1 . . . . 94 ALA HB . 11094 1 1080 . 1 1 94 94 ALA C C 13 177.568 0.300 . 1 . . . . 94 ALA C . 11094 1 1081 . 1 1 94 94 ALA CA C 13 56.894 0.300 . 1 . . . . 94 ALA CA . 11094 1 1082 . 1 1 94 94 ALA CB C 13 19.770 0.300 . 1 . . . . 94 ALA CB . 11094 1 1083 . 1 1 94 94 ALA N N 15 122.676 0.300 . 1 . . . . 94 ALA N . 11094 1 1084 . 1 1 95 95 GLU H H 1 8.595 0.030 . 1 . . . . 95 GLU H . 11094 1 1085 . 1 1 95 95 GLU HA H 1 2.637 0.030 . 1 . . . . 95 GLU HA . 11094 1 1086 . 1 1 95 95 GLU HB2 H 1 1.707 0.030 . 1 . . . . 95 GLU HB2 . 11094 1 1087 . 1 1 95 95 GLU HB3 H 1 1.707 0.030 . 1 . . . . 95 GLU HB3 . 11094 1 1088 . 1 1 95 95 GLU HG2 H 1 1.595 0.030 . 2 . . . . 95 GLU HG2 . 11094 1 1089 . 1 1 95 95 GLU HG3 H 1 1.919 0.030 . 2 . . . . 95 GLU HG3 . 11094 1 1090 . 1 1 95 95 GLU C C 13 177.552 0.300 . 1 . . . . 95 GLU C . 11094 1 1091 . 1 1 95 95 GLU CA C 13 59.137 0.300 . 1 . . . . 95 GLU CA . 11094 1 1092 . 1 1 95 95 GLU CB C 13 29.663 0.300 . 1 . . . . 95 GLU CB . 11094 1 1093 . 1 1 95 95 GLU CG C 13 35.540 0.300 . 1 . . . . 95 GLU CG . 11094 1 1094 . 1 1 95 95 GLU N N 15 116.035 0.300 . 1 . . . . 95 GLU N . 11094 1 1095 . 1 1 96 96 GLU H H 1 7.292 0.030 . 1 . . . . 96 GLU H . 11094 1 1096 . 1 1 96 96 GLU HA H 1 3.935 0.030 . 1 . . . . 96 GLU HA . 11094 1 1097 . 1 1 96 96 GLU HB2 H 1 2.264 0.030 . 2 . . . . 96 GLU HB2 . 11094 1 1098 . 1 1 96 96 GLU HB3 H 1 2.233 0.030 . 2 . . . . 96 GLU HB3 . 11094 1 1099 . 1 1 96 96 GLU HG2 H 1 2.363 0.030 . 2 . . . . 96 GLU HG2 . 11094 1 1100 . 1 1 96 96 GLU HG3 H 1 2.266 0.030 . 2 . . . . 96 GLU HG3 . 11094 1 1101 . 1 1 96 96 GLU C C 13 179.497 0.300 . 1 . . . . 96 GLU C . 11094 1 1102 . 1 1 96 96 GLU CA C 13 59.441 0.300 . 1 . . . . 96 GLU CA . 11094 1 1103 . 1 1 96 96 GLU CB C 13 30.526 0.300 . 1 . . . . 96 GLU CB . 11094 1 1104 . 1 1 96 96 GLU CG C 13 37.349 0.300 . 1 . . . . 96 GLU CG . 11094 1 1105 . 1 1 96 96 GLU N N 15 117.799 0.300 . 1 . . . . 96 GLU N . 11094 1 1106 . 1 1 97 97 ILE H H 1 7.371 0.030 . 1 . . . . 97 ILE H . 11094 1 1107 . 1 1 97 97 ILE HA H 1 2.612 0.030 . 1 . . . . 97 ILE HA . 11094 1 1108 . 1 1 97 97 ILE HB H 1 0.719 0.030 . 1 . . . . 97 ILE HB . 11094 1 1109 . 1 1 97 97 ILE HD11 H 1 -0.058 0.030 . 1 . . . . 97 ILE HD1 . 11094 1 1110 . 1 1 97 97 ILE HD12 H 1 -0.058 0.030 . 1 . . . . 97 ILE HD1 . 11094 1 1111 . 1 1 97 97 ILE HD13 H 1 -0.058 0.030 . 1 . . . . 97 ILE HD1 . 11094 1 1112 . 1 1 97 97 ILE HG12 H 1 -1.468 0.030 . 2 . . . . 97 ILE HG12 . 11094 1 1113 . 1 1 97 97 ILE HG13 H 1 0.437 0.030 . 2 . . . . 97 ILE HG13 . 11094 1 1114 . 1 1 97 97 ILE HG21 H 1 -0.534 0.030 . 1 . . . . 97 ILE HG2 . 11094 1 1115 . 1 1 97 97 ILE HG22 H 1 -0.534 0.030 . 1 . . . . 97 ILE HG2 . 11094 1 1116 . 1 1 97 97 ILE HG23 H 1 -0.534 0.030 . 1 . . . . 97 ILE HG2 . 11094 1 1117 . 1 1 97 97 ILE C C 13 176.364 0.300 . 1 . . . . 97 ILE C . 11094 1 1118 . 1 1 97 97 ILE CA C 13 65.470 0.300 . 1 . . . . 97 ILE CA . 11094 1 1119 . 1 1 97 97 ILE CB C 13 36.979 0.300 . 1 . . . . 97 ILE CB . 11094 1 1120 . 1 1 97 97 ILE CD1 C 13 13.312 0.300 . 1 . . . . 97 ILE CD1 . 11094 1 1121 . 1 1 97 97 ILE CG1 C 13 25.849 0.300 . 1 . . . . 97 ILE CG1 . 11094 1 1122 . 1 1 97 97 ILE CG2 C 13 15.449 0.300 . 1 . . . . 97 ILE CG2 . 11094 1 1123 . 1 1 97 97 ILE N N 15 119.510 0.300 . 1 . . . . 97 ILE N . 11094 1 1124 . 1 1 98 98 PHE H H 1 7.453 0.030 . 1 . . . . 98 PHE H . 11094 1 1125 . 1 1 98 98 PHE HA H 1 3.854 0.030 . 1 . . . . 98 PHE HA . 11094 1 1126 . 1 1 98 98 PHE HB2 H 1 2.961 0.030 . 2 . . . . 98 PHE HB2 . 11094 1 1127 . 1 1 98 98 PHE HB3 H 1 2.882 0.030 . 2 . . . . 98 PHE HB3 . 11094 1 1128 . 1 1 98 98 PHE HD1 H 1 7.173 0.030 . 1 . . . . 98 PHE HD1 . 11094 1 1129 . 1 1 98 98 PHE HD2 H 1 7.173 0.030 . 1 . . . . 98 PHE HD2 . 11094 1 1130 . 1 1 98 98 PHE HE1 H 1 7.283 0.030 . 1 . . . . 98 PHE HE1 . 11094 1 1131 . 1 1 98 98 PHE HE2 H 1 7.283 0.030 . 1 . . . . 98 PHE HE2 . 11094 1 1132 . 1 1 98 98 PHE HZ H 1 7.112 0.030 . 1 . . . . 98 PHE HZ . 11094 1 1133 . 1 1 98 98 PHE C C 13 175.995 0.300 . 1 . . . . 98 PHE C . 11094 1 1134 . 1 1 98 98 PHE CA C 13 62.444 0.300 . 1 . . . . 98 PHE CA . 11094 1 1135 . 1 1 98 98 PHE CB C 13 40.308 0.300 . 1 . . . . 98 PHE CB . 11094 1 1136 . 1 1 98 98 PHE CD1 C 13 131.895 0.300 . 1 . . . . 98 PHE CD1 . 11094 1 1137 . 1 1 98 98 PHE CD2 C 13 131.895 0.300 . 1 . . . . 98 PHE CD2 . 11094 1 1138 . 1 1 98 98 PHE CE1 C 13 131.902 0.300 . 1 . . . . 98 PHE CE1 . 11094 1 1139 . 1 1 98 98 PHE CE2 C 13 131.902 0.300 . 1 . . . . 98 PHE CE2 . 11094 1 1140 . 1 1 98 98 PHE CZ C 13 130.084 0.300 . 1 . . . . 98 PHE CZ . 11094 1 1141 . 1 1 98 98 PHE N N 15 118.751 0.300 . 1 . . . . 98 PHE N . 11094 1 1142 . 1 1 99 99 ASN H H 1 8.399 0.030 . 1 . . . . 99 ASN H . 11094 1 1143 . 1 1 99 99 ASN HA H 1 4.214 0.030 . 1 . . . . 99 ASN HA . 11094 1 1144 . 1 1 99 99 ASN HB2 H 1 2.703 0.030 . 1 . . . . 99 ASN HB2 . 11094 1 1145 . 1 1 99 99 ASN HB3 H 1 2.703 0.030 . 1 . . . . 99 ASN HB3 . 11094 1 1146 . 1 1 99 99 ASN HD21 H 1 7.481 0.030 . 2 . . . . 99 ASN HD21 . 11094 1 1147 . 1 1 99 99 ASN HD22 H 1 6.983 0.030 . 2 . . . . 99 ASN HD22 . 11094 1 1148 . 1 1 99 99 ASN C C 13 177.975 0.300 . 1 . . . . 99 ASN C . 11094 1 1149 . 1 1 99 99 ASN CA C 13 55.823 0.300 . 1 . . . . 99 ASN CA . 11094 1 1150 . 1 1 99 99 ASN CB C 13 38.196 0.300 . 1 . . . . 99 ASN CB . 11094 1 1151 . 1 1 99 99 ASN N N 15 116.368 0.300 . 1 . . . . 99 ASN N . 11094 1 1152 . 1 1 99 99 ASN ND2 N 15 110.745 0.300 . 1 . . . . 99 ASN ND2 . 11094 1 1153 . 1 1 100 100 LEU H H 1 7.885 0.030 . 1 . . . . 100 LEU H . 11094 1 1154 . 1 1 100 100 LEU HA H 1 4.151 0.030 . 1 . . . . 100 LEU HA . 11094 1 1155 . 1 1 100 100 LEU HB2 H 1 1.611 0.030 . 1 . . . . 100 LEU HB2 . 11094 1 1156 . 1 1 100 100 LEU HB3 H 1 1.611 0.030 . 1 . . . . 100 LEU HB3 . 11094 1 1157 . 1 1 100 100 LEU HD11 H 1 1.091 0.030 . 1 . . . . 100 LEU HD1 . 11094 1 1158 . 1 1 100 100 LEU HD12 H 1 1.091 0.030 . 1 . . . . 100 LEU HD1 . 11094 1 1159 . 1 1 100 100 LEU HD13 H 1 1.091 0.030 . 1 . . . . 100 LEU HD1 . 11094 1 1160 . 1 1 100 100 LEU HD21 H 1 0.993 0.030 . 1 . . . . 100 LEU HD2 . 11094 1 1161 . 1 1 100 100 LEU HD22 H 1 0.993 0.030 . 1 . . . . 100 LEU HD2 . 11094 1 1162 . 1 1 100 100 LEU HD23 H 1 0.993 0.030 . 1 . . . . 100 LEU HD2 . 11094 1 1163 . 1 1 100 100 LEU HG H 1 1.539 0.030 . 1 . . . . 100 LEU HG . 11094 1 1164 . 1 1 100 100 LEU C C 13 178.134 0.300 . 1 . . . . 100 LEU C . 11094 1 1165 . 1 1 100 100 LEU CA C 13 57.650 0.300 . 1 . . . . 100 LEU CA . 11094 1 1166 . 1 1 100 100 LEU CB C 13 41.377 0.300 . 1 . . . . 100 LEU CB . 11094 1 1167 . 1 1 100 100 LEU CD1 C 13 26.302 0.300 . 2 . . . . 100 LEU CD1 . 11094 1 1168 . 1 1 100 100 LEU CD2 C 13 23.434 0.300 . 2 . . . . 100 LEU CD2 . 11094 1 1169 . 1 1 100 100 LEU CG C 13 27.046 0.300 . 1 . . . . 100 LEU CG . 11094 1 1170 . 1 1 100 100 LEU N N 15 122.478 0.300 . 1 . . . . 100 LEU N . 11094 1 1171 . 1 1 101 101 LEU H H 1 8.313 0.030 . 1 . . . . 101 LEU H . 11094 1 1172 . 1 1 101 101 LEU HA H 1 3.432 0.030 . 1 . . . . 101 LEU HA . 11094 1 1173 . 1 1 101 101 LEU HB2 H 1 1.132 0.030 . 2 . . . . 101 LEU HB2 . 11094 1 1174 . 1 1 101 101 LEU HB3 H 1 1.012 0.030 . 2 . . . . 101 LEU HB3 . 11094 1 1175 . 1 1 101 101 LEU HD11 H 1 0.085 0.030 . 1 . . . . 101 LEU HD1 . 11094 1 1176 . 1 1 101 101 LEU HD12 H 1 0.085 0.030 . 1 . . . . 101 LEU HD1 . 11094 1 1177 . 1 1 101 101 LEU HD13 H 1 0.085 0.030 . 1 . . . . 101 LEU HD1 . 11094 1 1178 . 1 1 101 101 LEU HD21 H 1 0.085 0.030 . 1 . . . . 101 LEU HD2 . 11094 1 1179 . 1 1 101 101 LEU HD22 H 1 0.085 0.030 . 1 . . . . 101 LEU HD2 . 11094 1 1180 . 1 1 101 101 LEU HD23 H 1 0.085 0.030 . 1 . . . . 101 LEU HD2 . 11094 1 1181 . 1 1 101 101 LEU HG H 1 0.552 0.030 . 1 . . . . 101 LEU HG . 11094 1 1182 . 1 1 101 101 LEU C C 13 177.799 0.300 . 1 . . . . 101 LEU C . 11094 1 1183 . 1 1 101 101 LEU CA C 13 57.773 0.300 . 1 . . . . 101 LEU CA . 11094 1 1184 . 1 1 101 101 LEU CB C 13 41.010 0.300 . 1 . . . . 101 LEU CB . 11094 1 1185 . 1 1 101 101 LEU CD1 C 13 25.856 0.300 . 2 . . . . 101 LEU CD1 . 11094 1 1186 . 1 1 101 101 LEU CD2 C 13 24.555 0.300 . 2 . . . . 101 LEU CD2 . 11094 1 1187 . 1 1 101 101 LEU CG C 13 26.084 0.300 . 1 . . . . 101 LEU CG . 11094 1 1188 . 1 1 101 101 LEU N N 15 120.695 0.300 . 1 . . . . 101 LEU N . 11094 1 1189 . 1 1 102 102 GLN H H 1 8.054 0.030 . 1 . . . . 102 GLN H . 11094 1 1190 . 1 1 102 102 GLN HA H 1 3.865 0.030 . 1 . . . . 102 GLN HA . 11094 1 1191 . 1 1 102 102 GLN HB2 H 1 1.891 0.030 . 2 . . . . 102 GLN HB2 . 11094 1 1192 . 1 1 102 102 GLN HB3 H 1 1.738 0.030 . 2 . . . . 102 GLN HB3 . 11094 1 1193 . 1 1 102 102 GLN HE21 H 1 7.503 0.030 . 2 . . . . 102 GLN HE21 . 11094 1 1194 . 1 1 102 102 GLN HE22 H 1 6.811 0.030 . 2 . . . . 102 GLN HE22 . 11094 1 1195 . 1 1 102 102 GLN HG2 H 1 2.146 0.030 . 2 . . . . 102 GLN HG2 . 11094 1 1196 . 1 1 102 102 GLN HG3 H 1 2.007 0.030 . 2 . . . . 102 GLN HG3 . 11094 1 1197 . 1 1 102 102 GLN C C 13 178.623 0.300 . 1 . . . . 102 GLN C . 11094 1 1198 . 1 1 102 102 GLN CA C 13 59.230 0.300 . 1 . . . . 102 GLN CA . 11094 1 1199 . 1 1 102 102 GLN CB C 13 29.334 0.300 . 1 . . . . 102 GLN CB . 11094 1 1200 . 1 1 102 102 GLN CG C 13 34.554 0.300 . 1 . . . . 102 GLN CG . 11094 1 1201 . 1 1 102 102 GLN N N 15 116.846 0.300 . 1 . . . . 102 GLN N . 11094 1 1202 . 1 1 102 102 GLN NE2 N 15 111.320 0.300 . 1 . . . . 102 GLN NE2 . 11094 1 1203 . 1 1 103 103 ASP H H 1 7.301 0.030 . 1 . . . . 103 ASP H . 11094 1 1204 . 1 1 103 103 ASP HA H 1 4.364 0.030 . 1 . . . . 103 ASP HA . 11094 1 1205 . 1 1 103 103 ASP HB2 H 1 2.787 0.030 . 2 . . . . 103 ASP HB2 . 11094 1 1206 . 1 1 103 103 ASP HB3 H 1 2.661 0.030 . 2 . . . . 103 ASP HB3 . 11094 1 1207 . 1 1 103 103 ASP C C 13 179.077 0.300 . 1 . . . . 103 ASP C . 11094 1 1208 . 1 1 103 103 ASP CA C 13 57.193 0.300 . 1 . . . . 103 ASP CA . 11094 1 1209 . 1 1 103 103 ASP CB C 13 40.961 0.300 . 1 . . . . 103 ASP CB . 11094 1 1210 . 1 1 103 103 ASP N N 15 119.125 0.300 . 1 . . . . 103 ASP N . 11094 1 1211 . 1 1 104 104 LEU H H 1 8.401 0.030 . 1 . . . . 104 LEU H . 11094 1 1212 . 1 1 104 104 LEU HA H 1 4.018 0.030 . 1 . . . . 104 LEU HA . 11094 1 1213 . 1 1 104 104 LEU HB2 H 1 1.502 0.030 . 2 . . . . 104 LEU HB2 . 11094 1 1214 . 1 1 104 104 LEU HB3 H 1 1.197 0.030 . 2 . . . . 104 LEU HB3 . 11094 1 1215 . 1 1 104 104 LEU HD11 H 1 0.746 0.030 . 1 . . . . 104 LEU HD1 . 11094 1 1216 . 1 1 104 104 LEU HD12 H 1 0.746 0.030 . 1 . . . . 104 LEU HD1 . 11094 1 1217 . 1 1 104 104 LEU HD13 H 1 0.746 0.030 . 1 . . . . 104 LEU HD1 . 11094 1 1218 . 1 1 104 104 LEU HD21 H 1 0.822 0.030 . 1 . . . . 104 LEU HD2 . 11094 1 1219 . 1 1 104 104 LEU HD22 H 1 0.822 0.030 . 1 . . . . 104 LEU HD2 . 11094 1 1220 . 1 1 104 104 LEU HD23 H 1 0.822 0.030 . 1 . . . . 104 LEU HD2 . 11094 1 1221 . 1 1 104 104 LEU HG H 1 1.711 0.030 . 1 . . . . 104 LEU HG . 11094 1 1222 . 1 1 104 104 LEU C C 13 180.169 0.300 . 1 . . . . 104 LEU C . 11094 1 1223 . 1 1 104 104 LEU CA C 13 57.650 0.300 . 1 . . . . 104 LEU CA . 11094 1 1224 . 1 1 104 104 LEU CB C 13 42.140 0.300 . 1 . . . . 104 LEU CB . 11094 1 1225 . 1 1 104 104 LEU CD1 C 13 26.415 0.300 . 2 . . . . 104 LEU CD1 . 11094 1 1226 . 1 1 104 104 LEU CD2 C 13 22.644 0.300 . 2 . . . . 104 LEU CD2 . 11094 1 1227 . 1 1 104 104 LEU CG C 13 26.824 0.300 . 1 . . . . 104 LEU CG . 11094 1 1228 . 1 1 104 104 LEU N N 15 121.224 0.300 . 1 . . . . 104 LEU N . 11094 1 1229 . 1 1 105 105 MET H H 1 8.475 0.030 . 1 . . . . 105 MET H . 11094 1 1230 . 1 1 105 105 MET HA H 1 4.055 0.030 . 1 . . . . 105 MET HA . 11094 1 1231 . 1 1 105 105 MET HB2 H 1 1.944 0.030 . 2 . . . . 105 MET HB2 . 11094 1 1232 . 1 1 105 105 MET HB3 H 1 1.992 0.030 . 2 . . . . 105 MET HB3 . 11094 1 1233 . 1 1 105 105 MET HE1 H 1 1.838 0.030 . 1 . . . . 105 MET HE . 11094 1 1234 . 1 1 105 105 MET HE2 H 1 1.838 0.030 . 1 . . . . 105 MET HE . 11094 1 1235 . 1 1 105 105 MET HE3 H 1 1.838 0.030 . 1 . . . . 105 MET HE . 11094 1 1236 . 1 1 105 105 MET HG2 H 1 2.051 0.030 . 2 . . . . 105 MET HG2 . 11094 1 1237 . 1 1 105 105 MET HG3 H 1 2.007 0.030 . 2 . . . . 105 MET HG3 . 11094 1 1238 . 1 1 105 105 MET C C 13 178.131 0.300 . 1 . . . . 105 MET C . 11094 1 1239 . 1 1 105 105 MET CA C 13 57.404 0.300 . 1 . . . . 105 MET CA . 11094 1 1240 . 1 1 105 105 MET CB C 13 32.211 0.300 . 1 . . . . 105 MET CB . 11094 1 1241 . 1 1 105 105 MET CE C 13 16.952 0.300 . 1 . . . . 105 MET CE . 11094 1 1242 . 1 1 105 105 MET CG C 13 32.910 0.300 . 1 . . . . 105 MET CG . 11094 1 1243 . 1 1 105 105 MET N N 15 117.930 0.300 . 1 . . . . 105 MET N . 11094 1 1244 . 1 1 106 106 GLN H H 1 7.634 0.030 . 1 . . . . 106 GLN H . 11094 1 1245 . 1 1 106 106 GLN HA H 1 4.216 0.030 . 1 . . . . 106 GLN HA . 11094 1 1246 . 1 1 106 106 GLN HB2 H 1 2.183 0.030 . 1 . . . . 106 GLN HB2 . 11094 1 1247 . 1 1 106 106 GLN HB3 H 1 2.183 0.030 . 1 . . . . 106 GLN HB3 . 11094 1 1248 . 1 1 106 106 GLN HE21 H 1 7.601 0.030 . 2 . . . . 106 GLN HE21 . 11094 1 1249 . 1 1 106 106 GLN HE22 H 1 6.844 0.030 . 2 . . . . 106 GLN HE22 . 11094 1 1250 . 1 1 106 106 GLN HG2 H 1 2.483 0.030 . 2 . . . . 106 GLN HG2 . 11094 1 1251 . 1 1 106 106 GLN HG3 H 1 2.415 0.030 . 2 . . . . 106 GLN HG3 . 11094 1 1252 . 1 1 106 106 GLN C C 13 177.246 0.300 . 1 . . . . 106 GLN C . 11094 1 1253 . 1 1 106 106 GLN CA C 13 57.351 0.300 . 1 . . . . 106 GLN CA . 11094 1 1254 . 1 1 106 106 GLN CB C 13 28.553 0.300 . 1 . . . . 106 GLN CB . 11094 1 1255 . 1 1 106 106 GLN CG C 13 34.024 0.300 . 1 . . . . 106 GLN CG . 11094 1 1256 . 1 1 106 106 GLN N N 15 118.180 0.300 . 1 . . . . 106 GLN N . 11094 1 1257 . 1 1 106 106 GLN NE2 N 15 112.673 0.300 . 1 . . . . 106 GLN NE2 . 11094 1 1258 . 1 1 107 107 CYS H H 1 8.042 0.030 . 1 . . . . 107 CYS H . 11094 1 1259 . 1 1 107 107 CYS HA H 1 4.360 0.030 . 1 . . . . 107 CYS HA . 11094 1 1260 . 1 1 107 107 CYS HB2 H 1 2.944 0.030 . 1 . . . . 107 CYS HB2 . 11094 1 1261 . 1 1 107 107 CYS HB3 H 1 2.944 0.030 . 1 . . . . 107 CYS HB3 . 11094 1 1262 . 1 1 107 107 CYS C C 13 175.068 0.300 . 1 . . . . 107 CYS C . 11094 1 1263 . 1 1 107 107 CYS CA C 13 60.108 0.300 . 1 . . . . 107 CYS CA . 11094 1 1264 . 1 1 107 107 CYS CB C 13 27.443 0.300 . 1 . . . . 107 CYS CB . 11094 1 1265 . 1 1 107 107 CYS N N 15 118.029 0.300 . 1 . . . . 107 CYS N . 11094 1 1266 . 1 1 108 108 ASN H H 1 8.198 0.030 . 1 . . . . 108 ASN H . 11094 1 1267 . 1 1 108 108 ASN HA H 1 4.766 0.030 . 1 . . . . 108 ASN HA . 11094 1 1268 . 1 1 108 108 ASN HB2 H 1 2.833 0.030 . 1 . . . . 108 ASN HB2 . 11094 1 1269 . 1 1 108 108 ASN HB3 H 1 2.833 0.030 . 1 . . . . 108 ASN HB3 . 11094 1 1270 . 1 1 108 108 ASN HD21 H 1 7.063 0.030 . 2 . . . . 108 ASN HD21 . 11094 1 1271 . 1 1 108 108 ASN HD22 H 1 7.647 0.030 . 2 . . . . 108 ASN HD22 . 11094 1 1272 . 1 1 108 108 ASN C C 13 175.120 0.300 . 1 . . . . 108 ASN C . 11094 1 1273 . 1 1 108 108 ASN CA C 13 53.926 0.300 . 1 . . . . 108 ASN CA . 11094 1 1274 . 1 1 108 108 ASN CB C 13 39.239 0.300 . 1 . . . . 108 ASN CB . 11094 1 1275 . 1 1 108 108 ASN N N 15 119.533 0.300 . 1 . . . . 108 ASN N . 11094 1 1276 . 1 1 108 108 ASN ND2 N 15 112.987 0.300 . 1 . . . . 108 ASN ND2 . 11094 1 1277 . 1 1 109 109 SER H H 1 8.077 0.030 . 1 . . . . 109 SER H . 11094 1 1278 . 1 1 109 109 SER HA H 1 4.318 0.030 . 1 . . . . 109 SER HA . 11094 1 1279 . 1 1 109 109 SER HB2 H 1 3.859 0.030 . 1 . . . . 109 SER HB2 . 11094 1 1280 . 1 1 109 109 SER HB3 H 1 3.859 0.030 . 1 . . . . 109 SER HB3 . 11094 1 1281 . 1 1 109 109 SER C C 13 174.502 0.300 . 1 . . . . 109 SER C . 11094 1 1282 . 1 1 109 109 SER CA C 13 58.984 0.300 . 1 . . . . 109 SER CA . 11094 1 1283 . 1 1 109 109 SER CB C 13 63.531 0.300 . 1 . . . . 109 SER CB . 11094 1 1284 . 1 1 109 109 SER N N 15 115.589 0.300 . 1 . . . . 109 SER N . 11094 1 1285 . 1 1 110 110 ILE H H 1 7.871 0.030 . 1 . . . . 110 ILE H . 11094 1 1286 . 1 1 110 110 ILE HA H 1 4.128 0.030 . 1 . . . . 110 ILE HA . 11094 1 1287 . 1 1 110 110 ILE HB H 1 1.833 0.030 . 1 . . . . 110 ILE HB . 11094 1 1288 . 1 1 110 110 ILE HD11 H 1 0.817 0.030 . 1 . . . . 110 ILE HD1 . 11094 1 1289 . 1 1 110 110 ILE HD12 H 1 0.817 0.030 . 1 . . . . 110 ILE HD1 . 11094 1 1290 . 1 1 110 110 ILE HD13 H 1 0.817 0.030 . 1 . . . . 110 ILE HD1 . 11094 1 1291 . 1 1 110 110 ILE HG12 H 1 1.122 0.030 . 2 . . . . 110 ILE HG12 . 11094 1 1292 . 1 1 110 110 ILE HG13 H 1 1.410 0.030 . 2 . . . . 110 ILE HG13 . 11094 1 1293 . 1 1 110 110 ILE HG21 H 1 0.843 0.030 . 1 . . . . 110 ILE HG2 . 11094 1 1294 . 1 1 110 110 ILE HG22 H 1 0.843 0.030 . 1 . . . . 110 ILE HG2 . 11094 1 1295 . 1 1 110 110 ILE HG23 H 1 0.843 0.030 . 1 . . . . 110 ILE HG2 . 11094 1 1296 . 1 1 110 110 ILE C C 13 175.816 0.300 . 1 . . . . 110 ILE C . 11094 1 1297 . 1 1 110 110 ILE CA C 13 61.443 0.300 . 1 . . . . 110 ILE CA . 11094 1 1298 . 1 1 110 110 ILE CB C 13 38.664 0.300 . 1 . . . . 110 ILE CB . 11094 1 1299 . 1 1 110 110 ILE CD1 C 13 13.211 0.300 . 1 . . . . 110 ILE CD1 . 11094 1 1300 . 1 1 110 110 ILE CG1 C 13 27.285 0.300 . 1 . . . . 110 ILE CG1 . 11094 1 1301 . 1 1 110 110 ILE CG2 C 13 17.634 0.300 . 1 . . . . 110 ILE CG2 . 11094 1 1302 . 1 1 110 110 ILE N N 15 120.975 0.300 . 1 . . . . 110 ILE N . 11094 1 1303 . 1 1 111 111 ASN H H 1 8.316 0.030 . 1 . . . . 111 ASN H . 11094 1 1304 . 1 1 111 111 ASN HA H 1 4.707 0.030 . 1 . . . . 111 ASN HA . 11094 1 1305 . 1 1 111 111 ASN HB2 H 1 2.785 0.030 . 2 . . . . 111 ASN HB2 . 11094 1 1306 . 1 1 111 111 ASN HB3 H 1 2.665 0.030 . 2 . . . . 111 ASN HB3 . 11094 1 1307 . 1 1 111 111 ASN HD21 H 1 7.568 0.030 . 2 . . . . 111 ASN HD21 . 11094 1 1308 . 1 1 111 111 ASN HD22 H 1 6.902 0.030 . 2 . . . . 111 ASN HD22 . 11094 1 1309 . 1 1 111 111 ASN C C 13 175.060 0.300 . 1 . . . . 111 ASN C . 11094 1 1310 . 1 1 111 111 ASN CA C 13 53.171 0.300 . 1 . . . . 111 ASN CA . 11094 1 1311 . 1 1 111 111 ASN CB C 13 39.034 0.300 . 1 . . . . 111 ASN CB . 11094 1 1312 . 1 1 111 111 ASN N N 15 121.858 0.300 . 1 . . . . 111 ASN N . 11094 1 1313 . 1 1 111 111 ASN ND2 N 15 112.953 0.300 . 1 . . . . 111 ASN ND2 . 11094 1 1314 . 1 1 112 112 VAL H H 1 8.033 0.030 . 1 . . . . 112 VAL H . 11094 1 1315 . 1 1 112 112 VAL HA H 1 4.062 0.030 . 1 . . . . 112 VAL HA . 11094 1 1316 . 1 1 112 112 VAL HB H 1 2.060 0.030 . 1 . . . . 112 VAL HB . 11094 1 1317 . 1 1 112 112 VAL HG11 H 1 0.866 0.030 . 1 . . . . 112 VAL HG1 . 11094 1 1318 . 1 1 112 112 VAL HG12 H 1 0.866 0.030 . 1 . . . . 112 VAL HG1 . 11094 1 1319 . 1 1 112 112 VAL HG13 H 1 0.866 0.030 . 1 . . . . 112 VAL HG1 . 11094 1 1320 . 1 1 112 112 VAL HG21 H 1 0.862 0.030 . 1 . . . . 112 VAL HG2 . 11094 1 1321 . 1 1 112 112 VAL HG22 H 1 0.862 0.030 . 1 . . . . 112 VAL HG2 . 11094 1 1322 . 1 1 112 112 VAL HG23 H 1 0.862 0.030 . 1 . . . . 112 VAL HG2 . 11094 1 1323 . 1 1 112 112 VAL C C 13 175.988 0.300 . 1 . . . . 112 VAL C . 11094 1 1324 . 1 1 112 112 VAL CA C 13 62.467 0.300 . 1 . . . . 112 VAL CA . 11094 1 1325 . 1 1 112 112 VAL CB C 13 32.581 0.300 . 1 . . . . 112 VAL CB . 11094 1 1326 . 1 1 112 112 VAL CG1 C 13 20.614 0.300 . 2 . . . . 112 VAL CG1 . 11094 1 1327 . 1 1 112 112 VAL CG2 C 13 20.614 0.300 . 2 . . . . 112 VAL CG2 . 11094 1 1328 . 1 1 112 112 VAL N N 15 120.260 0.300 . 1 . . . . 112 VAL N . 11094 1 1329 . 1 1 113 113 MET H H 1 8.323 0.030 . 1 . . . . 113 MET H . 11094 1 1330 . 1 1 113 113 MET HA H 1 4.444 0.030 . 1 . . . . 113 MET HA . 11094 1 1331 . 1 1 113 113 MET HB2 H 1 2.038 0.030 . 2 . . . . 113 MET HB2 . 11094 1 1332 . 1 1 113 113 MET HB3 H 1 1.962 0.030 . 2 . . . . 113 MET HB3 . 11094 1 1333 . 1 1 113 113 MET HE1 H 1 2.037 0.030 . 1 . . . . 113 MET HE . 11094 1 1334 . 1 1 113 113 MET HE2 H 1 2.037 0.030 . 1 . . . . 113 MET HE . 11094 1 1335 . 1 1 113 113 MET HE3 H 1 2.037 0.030 . 1 . . . . 113 MET HE . 11094 1 1336 . 1 1 113 113 MET HG2 H 1 2.551 0.030 . 2 . . . . 113 MET HG2 . 11094 1 1337 . 1 1 113 113 MET HG3 H 1 2.484 0.030 . 2 . . . . 113 MET HG3 . 11094 1 1338 . 1 1 113 113 MET C C 13 175.905 0.300 . 1 . . . . 113 MET C . 11094 1 1339 . 1 1 113 113 MET CA C 13 55.349 0.300 . 1 . . . . 113 MET CA . 11094 1 1340 . 1 1 113 113 MET CB C 13 32.868 0.300 . 1 . . . . 113 MET CB . 11094 1 1341 . 1 1 113 113 MET CE C 13 16.933 0.300 . 1 . . . . 113 MET CE . 11094 1 1342 . 1 1 113 113 MET CG C 13 32.004 0.300 . 1 . . . . 113 MET CG . 11094 1 1343 . 1 1 113 113 MET N N 15 123.428 0.300 . 1 . . . . 113 MET N . 11094 1 1344 . 1 1 114 114 GLU H H 1 8.275 0.030 . 1 . . . . 114 GLU H . 11094 1 1345 . 1 1 114 114 GLU HA H 1 4.240 0.030 . 1 . . . . 114 GLU HA . 11094 1 1346 . 1 1 114 114 GLU HB2 H 1 1.862 0.030 . 2 . . . . 114 GLU HB2 . 11094 1 1347 . 1 1 114 114 GLU HB3 H 1 1.971 0.030 . 2 . . . . 114 GLU HB3 . 11094 1 1348 . 1 1 114 114 GLU HG2 H 1 2.202 0.030 . 1 . . . . 114 GLU HG2 . 11094 1 1349 . 1 1 114 114 GLU HG3 H 1 2.202 0.030 . 1 . . . . 114 GLU HG3 . 11094 1 1350 . 1 1 114 114 GLU C C 13 175.973 0.300 . 1 . . . . 114 GLU C . 11094 1 1351 . 1 1 114 114 GLU CA C 13 56.245 0.300 . 1 . . . . 114 GLU CA . 11094 1 1352 . 1 1 114 114 GLU CB C 13 30.508 0.300 . 1 . . . . 114 GLU CB . 11094 1 1353 . 1 1 114 114 GLU CG C 13 36.362 0.300 . 1 . . . . 114 GLU CG . 11094 1 1354 . 1 1 114 114 GLU N N 15 122.154 0.300 . 1 . . . . 114 GLU N . 11094 1 1355 . 1 1 115 115 GLU H H 1 8.380 0.030 . 1 . . . . 115 GLU H . 11094 1 1356 . 1 1 115 115 GLU HA H 1 4.500 0.030 . 1 . . . . 115 GLU HA . 11094 1 1357 . 1 1 115 115 GLU HB2 H 1 1.833 0.030 . 2 . . . . 115 GLU HB2 . 11094 1 1358 . 1 1 115 115 GLU HB3 H 1 1.975 0.030 . 2 . . . . 115 GLU HB3 . 11094 1 1359 . 1 1 115 115 GLU HG2 H 1 2.233 0.030 . 1 . . . . 115 GLU HG2 . 11094 1 1360 . 1 1 115 115 GLU HG3 H 1 2.233 0.030 . 1 . . . . 115 GLU HG3 . 11094 1 1361 . 1 1 115 115 GLU C C 13 174.382 0.300 . 1 . . . . 115 GLU C . 11094 1 1362 . 1 1 115 115 GLU CA C 13 54.348 0.300 . 1 . . . . 115 GLU CA . 11094 1 1363 . 1 1 115 115 GLU CB C 13 29.804 0.300 . 1 . . . . 115 GLU CB . 11094 1 1364 . 1 1 115 115 GLU CG C 13 35.944 0.300 . 1 . . . . 115 GLU CG . 11094 1 1365 . 1 1 115 115 GLU N N 15 123.606 0.300 . 1 . . . . 115 GLU N . 11094 1 1366 . 1 1 116 116 PRO HA H 1 4.373 0.030 . 1 . . . . 116 PRO HA . 11094 1 1367 . 1 1 116 116 PRO HB2 H 1 2.204 0.030 . 2 . . . . 116 PRO HB2 . 11094 1 1368 . 1 1 116 116 PRO HB3 H 1 1.792 0.030 . 2 . . . . 116 PRO HB3 . 11094 1 1369 . 1 1 116 116 PRO HD2 H 1 3.642 0.030 . 2 . . . . 116 PRO HD2 . 11094 1 1370 . 1 1 116 116 PRO HD3 H 1 3.756 0.030 . 2 . . . . 116 PRO HD3 . 11094 1 1371 . 1 1 116 116 PRO HG2 H 1 1.961 0.030 . 1 . . . . 116 PRO HG2 . 11094 1 1372 . 1 1 116 116 PRO HG3 H 1 1.961 0.030 . 1 . . . . 116 PRO HG3 . 11094 1 1373 . 1 1 116 116 PRO C C 13 176.683 0.300 . 1 . . . . 116 PRO C . 11094 1 1374 . 1 1 116 116 PRO CA C 13 63.129 0.300 . 1 . . . . 116 PRO CA . 11094 1 1375 . 1 1 116 116 PRO CB C 13 32.005 0.300 . 1 . . . . 116 PRO CB . 11094 1 1376 . 1 1 116 116 PRO CD C 13 50.748 0.300 . 1 . . . . 116 PRO CD . 11094 1 1377 . 1 1 116 116 PRO CG C 13 27.320 0.300 . 1 . . . . 116 PRO CG . 11094 1 1378 . 1 1 117 117 VAL H H 1 8.221 0.030 . 1 . . . . 117 VAL H . 11094 1 1379 . 1 1 117 117 VAL HA H 1 3.992 0.030 . 1 . . . . 117 VAL HA . 11094 1 1380 . 1 1 117 117 VAL HB H 1 1.948 0.030 . 1 . . . . 117 VAL HB . 11094 1 1381 . 1 1 117 117 VAL HG11 H 1 0.844 0.030 . 1 . . . . 117 VAL HG1 . 11094 1 1382 . 1 1 117 117 VAL HG12 H 1 0.844 0.030 . 1 . . . . 117 VAL HG1 . 11094 1 1383 . 1 1 117 117 VAL HG13 H 1 0.844 0.030 . 1 . . . . 117 VAL HG1 . 11094 1 1384 . 1 1 117 117 VAL HG21 H 1 0.909 0.030 . 1 . . . . 117 VAL HG2 . 11094 1 1385 . 1 1 117 117 VAL HG22 H 1 0.909 0.030 . 1 . . . . 117 VAL HG2 . 11094 1 1386 . 1 1 117 117 VAL HG23 H 1 0.909 0.030 . 1 . . . . 117 VAL HG2 . 11094 1 1387 . 1 1 117 117 VAL C C 13 175.925 0.300 . 1 . . . . 117 VAL C . 11094 1 1388 . 1 1 117 117 VAL CA C 13 62.360 0.300 . 1 . . . . 117 VAL CA . 11094 1 1389 . 1 1 117 117 VAL CB C 13 32.704 0.300 . 1 . . . . 117 VAL CB . 11094 1 1390 . 1 1 117 117 VAL CG1 C 13 20.990 0.300 . 2 . . . . 117 VAL CG1 . 11094 1 1391 . 1 1 117 117 VAL CG2 C 13 20.990 0.300 . 2 . . . . 117 VAL CG2 . 11094 1 1392 . 1 1 117 117 VAL N N 15 121.245 0.300 . 1 . . . . 117 VAL N . 11094 1 1393 . 1 1 118 118 ILE H H 1 8.284 0.030 . 1 . . . . 118 ILE H . 11094 1 1394 . 1 1 118 118 ILE HA H 1 4.128 0.030 . 1 . . . . 118 ILE HA . 11094 1 1395 . 1 1 118 118 ILE HB H 1 1.763 0.030 . 1 . . . . 118 ILE HB . 11094 1 1396 . 1 1 118 118 ILE HD11 H 1 0.768 0.030 . 1 . . . . 118 ILE HD1 . 11094 1 1397 . 1 1 118 118 ILE HD12 H 1 0.768 0.030 . 1 . . . . 118 ILE HD1 . 11094 1 1398 . 1 1 118 118 ILE HD13 H 1 0.768 0.030 . 1 . . . . 118 ILE HD1 . 11094 1 1399 . 1 1 118 118 ILE HG12 H 1 1.409 0.030 . 2 . . . . 118 ILE HG12 . 11094 1 1400 . 1 1 118 118 ILE HG13 H 1 1.124 0.030 . 2 . . . . 118 ILE HG13 . 11094 1 1401 . 1 1 118 118 ILE HG21 H 1 0.790 0.030 . 1 . . . . 118 ILE HG2 . 11094 1 1402 . 1 1 118 118 ILE HG22 H 1 0.790 0.030 . 1 . . . . 118 ILE HG2 . 11094 1 1403 . 1 1 118 118 ILE HG23 H 1 0.790 0.030 . 1 . . . . 118 ILE HG2 . 11094 1 1404 . 1 1 118 118 ILE C C 13 176.015 0.300 . 1 . . . . 118 ILE C . 11094 1 1405 . 1 1 118 118 ILE CA C 13 60.745 0.300 . 1 . . . . 118 ILE CA . 11094 1 1406 . 1 1 118 118 ILE CB C 13 38.458 0.300 . 1 . . . . 118 ILE CB . 11094 1 1407 . 1 1 118 118 ILE CD1 C 13 12.489 0.300 . 1 . . . . 118 ILE CD1 . 11094 1 1408 . 1 1 118 118 ILE CG1 C 13 27.320 0.300 . 1 . . . . 118 ILE CG1 . 11094 1 1409 . 1 1 118 118 ILE CG2 C 13 17.373 0.300 . 1 . . . . 118 ILE CG2 . 11094 1 1410 . 1 1 118 118 ILE N N 15 125.958 0.300 . 1 . . . . 118 ILE N . 11094 1 1411 . 1 1 119 119 ILE H H 1 8.336 0.030 . 1 . . . . 119 ILE H . 11094 1 1412 . 1 1 119 119 ILE HA H 1 4.129 0.030 . 1 . . . . 119 ILE HA . 11094 1 1413 . 1 1 119 119 ILE HB H 1 1.761 0.030 . 1 . . . . 119 ILE HB . 11094 1 1414 . 1 1 119 119 ILE HD11 H 1 0.772 0.030 . 1 . . . . 119 ILE HD1 . 11094 1 1415 . 1 1 119 119 ILE HD12 H 1 0.772 0.030 . 1 . . . . 119 ILE HD1 . 11094 1 1416 . 1 1 119 119 ILE HD13 H 1 0.772 0.030 . 1 . . . . 119 ILE HD1 . 11094 1 1417 . 1 1 119 119 ILE HG12 H 1 1.412 0.030 . 2 . . . . 119 ILE HG12 . 11094 1 1418 . 1 1 119 119 ILE HG13 H 1 1.155 0.030 . 2 . . . . 119 ILE HG13 . 11094 1 1419 . 1 1 119 119 ILE HG21 H 1 0.843 0.030 . 1 . . . . 119 ILE HG2 . 11094 1 1420 . 1 1 119 119 ILE HG22 H 1 0.843 0.030 . 1 . . . . 119 ILE HG2 . 11094 1 1421 . 1 1 119 119 ILE HG23 H 1 0.843 0.030 . 1 . . . . 119 ILE HG2 . 11094 1 1422 . 1 1 119 119 ILE C C 13 176.193 0.300 . 1 . . . . 119 ILE C . 11094 1 1423 . 1 1 119 119 ILE CA C 13 60.828 0.300 . 1 . . . . 119 ILE CA . 11094 1 1424 . 1 1 119 119 ILE CB C 13 38.500 0.300 . 1 . . . . 119 ILE CB . 11094 1 1425 . 1 1 119 119 ILE CD1 C 13 12.491 0.300 . 1 . . . . 119 ILE CD1 . 11094 1 1426 . 1 1 119 119 ILE CG1 C 13 26.909 0.300 . 1 . . . . 119 ILE CG1 . 11094 1 1427 . 1 1 119 119 ILE CG2 C 13 17.490 0.300 . 1 . . . . 119 ILE CG2 . 11094 1 1428 . 1 1 119 119 ILE N N 15 126.508 0.300 . 1 . . . . 119 ILE N . 11094 1 1429 . 1 1 120 120 THR H H 1 8.263 0.030 . 1 . . . . 120 THR H . 11094 1 1430 . 1 1 120 120 THR HA H 1 4.289 0.030 . 1 . . . . 120 THR HA . 11094 1 1431 . 1 1 120 120 THR HB H 1 4.120 0.030 . 1 . . . . 120 THR HB . 11094 1 1432 . 1 1 120 120 THR HG21 H 1 1.125 0.030 . 1 . . . . 120 THR HG2 . 11094 1 1433 . 1 1 120 120 THR HG22 H 1 1.125 0.030 . 1 . . . . 120 THR HG2 . 11094 1 1434 . 1 1 120 120 THR HG23 H 1 1.125 0.030 . 1 . . . . 120 THR HG2 . 11094 1 1435 . 1 1 120 120 THR C C 13 174.388 0.300 . 1 . . . . 120 THR C . 11094 1 1436 . 1 1 120 120 THR CA C 13 61.706 0.300 . 1 . . . . 120 THR CA . 11094 1 1437 . 1 1 120 120 THR CB C 13 69.807 0.300 . 1 . . . . 120 THR CB . 11094 1 1438 . 1 1 120 120 THR CG2 C 13 21.648 0.300 . 1 . . . . 120 THR CG2 . 11094 1 1439 . 1 1 120 120 THR N N 15 119.254 0.300 . 1 . . . . 120 THR N . 11094 1 1440 . 1 1 121 121 ARG H H 1 8.383 0.030 . 1 . . . . 121 ARG H . 11094 1 1441 . 1 1 121 121 ARG C C 13 175.884 0.300 . 1 . . . . 121 ARG C . 11094 1 1442 . 1 1 121 121 ARG CA C 13 56.104 0.300 . 1 . . . . 121 ARG CA . 11094 1 1443 . 1 1 121 121 ARG CB C 13 30.526 0.300 . 1 . . . . 121 ARG CB . 11094 1 1444 . 1 1 121 121 ARG N N 15 123.649 0.300 . 1 . . . . 121 ARG N . 11094 1 1445 . 1 1 122 122 ASN HA H 1 4.668 0.030 . 1 . . . . 122 ASN HA . 11094 1 1446 . 1 1 122 122 ASN HB2 H 1 2.758 0.030 . 1 . . . . 122 ASN HB2 . 11094 1 1447 . 1 1 122 122 ASN HB3 H 1 2.758 0.030 . 1 . . . . 122 ASN HB3 . 11094 1 1448 . 1 1 122 122 ASN C C 13 175.042 0.300 . 1 . . . . 122 ASN C . 11094 1 1449 . 1 1 122 122 ASN CA C 13 53.259 0.300 . 1 . . . . 122 ASN CA . 11094 1 1450 . 1 1 122 122 ASN CB C 13 38.828 0.300 . 1 . . . . 122 ASN CB . 11094 1 1451 . 1 1 123 123 SER H H 1 8.225 0.030 . 1 . . . . 123 SER H . 11094 1 1452 . 1 1 123 123 SER HA H 1 4.347 0.030 . 1 . . . . 123 SER HA . 11094 1 1453 . 1 1 123 123 SER HB2 H 1 3.786 0.030 . 1 . . . . 123 SER HB2 . 11094 1 1454 . 1 1 123 123 SER HB3 H 1 3.786 0.030 . 1 . . . . 123 SER HB3 . 11094 1 1455 . 1 1 123 123 SER C C 13 173.691 0.300 . 1 . . . . 123 SER C . 11094 1 1456 . 1 1 123 123 SER CA C 13 58.405 0.300 . 1 . . . . 123 SER CA . 11094 1 1457 . 1 1 123 123 SER CB C 13 63.736 0.300 . 1 . . . . 123 SER CB . 11094 1 1458 . 1 1 123 123 SER N N 15 116.243 0.300 . 1 . . . . 123 SER N . 11094 1 1459 . 1 1 124 124 HIS H H 1 8.315 0.030 . 1 . . . . 124 HIS H . 11094 1 1460 . 1 1 124 124 HIS HA H 1 4.842 0.030 . 1 . . . . 124 HIS HA . 11094 1 1461 . 1 1 124 124 HIS HB2 H 1 2.973 0.030 . 2 . . . . 124 HIS HB2 . 11094 1 1462 . 1 1 124 124 HIS HB3 H 1 3.077 0.030 . 2 . . . . 124 HIS HB3 . 11094 1 1463 . 1 1 124 124 HIS HD2 H 1 7.035 0.030 . 1 . . . . 124 HIS HD2 . 11094 1 1464 . 1 1 124 124 HIS C C 13 173.219 0.300 . 1 . . . . 124 HIS C . 11094 1 1465 . 1 1 124 124 HIS CA C 13 54.242 0.300 . 1 . . . . 124 HIS CA . 11094 1 1466 . 1 1 124 124 HIS CB C 13 30.279 0.300 . 1 . . . . 124 HIS CB . 11094 1 1467 . 1 1 124 124 HIS N N 15 122.181 0.300 . 1 . . . . 124 HIS N . 11094 1 1468 . 1 1 125 125 PRO HA H 1 4.341 0.030 . 1 . . . . 125 PRO HA . 11094 1 1469 . 1 1 125 125 PRO HB2 H 1 2.252 0.030 . 1 . . . . 125 PRO HB2 . 11094 1 1470 . 1 1 125 125 PRO HB3 H 1 2.252 0.030 . 1 . . . . 125 PRO HB3 . 11094 1 1471 . 1 1 125 125 PRO HD2 H 1 3.682 0.030 . 2 . . . . 125 PRO HD2 . 11094 1 1472 . 1 1 125 125 PRO HD3 H 1 3.372 0.030 . 2 . . . . 125 PRO HD3 . 11094 1 1473 . 1 1 125 125 PRO HG2 H 1 1.929 0.030 . 1 . . . . 125 PRO HG2 . 11094 1 1474 . 1 1 125 125 PRO HG3 H 1 1.929 0.030 . 1 . . . . 125 PRO HG3 . 11094 1 1475 . 1 1 125 125 PRO C C 13 176.797 0.300 . 1 . . . . 125 PRO C . 11094 1 1476 . 1 1 125 125 PRO CA C 13 63.298 0.300 . 1 . . . . 125 PRO CA . 11094 1 1477 . 1 1 125 125 PRO CB C 13 32.024 0.300 . 1 . . . . 125 PRO CB . 11094 1 1478 . 1 1 125 125 PRO CD C 13 50.584 0.300 . 1 . . . . 125 PRO CD . 11094 1 1479 . 1 1 125 125 PRO CG C 13 27.344 0.300 . 1 . . . . 125 PRO CG . 11094 1 1480 . 1 1 126 126 ALA H H 1 8.629 0.030 . 1 . . . . 126 ALA H . 11094 1 1481 . 1 1 126 126 ALA HA H 1 4.232 0.030 . 1 . . . . 126 ALA HA . 11094 1 1482 . 1 1 126 126 ALA HB1 H 1 1.354 0.030 . 1 . . . . 126 ALA HB . 11094 1 1483 . 1 1 126 126 ALA HB2 H 1 1.354 0.030 . 1 . . . . 126 ALA HB . 11094 1 1484 . 1 1 126 126 ALA HB3 H 1 1.354 0.030 . 1 . . . . 126 ALA HB . 11094 1 1485 . 1 1 126 126 ALA C C 13 178.113 0.300 . 1 . . . . 126 ALA C . 11094 1 1486 . 1 1 126 126 ALA CA C 13 52.784 0.300 . 1 . . . . 126 ALA CA . 11094 1 1487 . 1 1 126 126 ALA CB C 13 19.084 0.300 . 1 . . . . 126 ALA CB . 11094 1 1488 . 1 1 126 126 ALA N N 15 124.542 0.300 . 1 . . . . 126 ALA N . 11094 1 1489 . 1 1 127 127 GLU H H 1 8.411 0.030 . 1 . . . . 127 GLU H . 11094 1 1490 . 1 1 127 127 GLU HA H 1 4.186 0.030 . 1 . . . . 127 GLU HA . 11094 1 1491 . 1 1 127 127 GLU HB2 H 1 1.910 0.030 . 2 . . . . 127 GLU HB2 . 11094 1 1492 . 1 1 127 127 GLU HB3 H 1 2.001 0.030 . 2 . . . . 127 GLU HB3 . 11094 1 1493 . 1 1 127 127 GLU HG2 H 1 2.225 0.030 . 2 . . . . 127 GLU HG2 . 11094 1 1494 . 1 1 127 127 GLU C C 13 176.548 0.300 . 1 . . . . 127 GLU C . 11094 1 1495 . 1 1 127 127 GLU CA C 13 56.744 0.300 . 1 . . . . 127 GLU CA . 11094 1 1496 . 1 1 127 127 GLU CB C 13 29.992 0.300 . 1 . . . . 127 GLU CB . 11094 1 1497 . 1 1 127 127 GLU N N 15 119.480 0.300 . 1 . . . . 127 GLU N . 11094 1 1498 . 1 1 128 128 LEU H H 1 8.082 0.030 . 1 . . . . 128 LEU H . 11094 1 1499 . 1 1 128 128 LEU HA H 1 4.260 0.030 . 1 . . . . 128 LEU HA . 11094 1 1500 . 1 1 128 128 LEU HB2 H 1 1.573 0.030 . 2 . . . . 128 LEU HB2 . 11094 1 1501 . 1 1 128 128 LEU HD11 H 1 0.841 0.030 . 1 . . . . 128 LEU HD1 . 11094 1 1502 . 1 1 128 128 LEU HD12 H 1 0.841 0.030 . 1 . . . . 128 LEU HD1 . 11094 1 1503 . 1 1 128 128 LEU HD13 H 1 0.841 0.030 . 1 . . . . 128 LEU HD1 . 11094 1 1504 . 1 1 128 128 LEU C C 13 176.816 0.300 . 1 . . . . 128 LEU C . 11094 1 1505 . 1 1 128 128 LEU CA C 13 55.208 0.300 . 1 . . . . 128 LEU CA . 11094 1 1506 . 1 1 128 128 LEU CB C 13 42.363 0.300 . 1 . . . . 128 LEU CB . 11094 1 1507 . 1 1 128 128 LEU CD1 C 13 24.834 0.300 . 2 . . . . 128 LEU CD1 . 11094 1 1508 . 1 1 128 128 LEU CD2 C 13 23.292 0.300 . 2 . . . . 128 LEU CD2 . 11094 1 1509 . 1 1 128 128 LEU CG C 13 27.238 0.300 . 1 . . . . 128 LEU CG . 11094 1 1510 . 1 1 128 128 LEU N N 15 121.926 0.300 . 1 . . . . 128 LEU N . 11094 1 1511 . 1 1 129 129 ASP H H 1 8.212 0.030 . 1 . . . . 129 ASP H . 11094 1 1512 . 1 1 129 129 ASP HA H 1 4.528 0.030 . 1 . . . . 129 ASP HA . 11094 1 1513 . 1 1 129 129 ASP HB2 H 1 2.509 0.030 . 2 . . . . 129 ASP HB2 . 11094 1 1514 . 1 1 129 129 ASP HB3 H 1 2.646 0.030 . 2 . . . . 129 ASP HB3 . 11094 1 1515 . 1 1 129 129 ASP C C 13 175.597 0.300 . 1 . . . . 129 ASP C . 11094 1 1516 . 1 1 129 129 ASP CA C 13 54.120 0.300 . 1 . . . . 129 ASP CA . 11094 1 1517 . 1 1 129 129 ASP CB C 13 40.984 0.300 . 1 . . . . 129 ASP CB . 11094 1 1518 . 1 1 129 129 ASP N N 15 120.898 0.300 . 1 . . . . 129 ASP N . 11094 1 1519 . 1 1 130 130 LEU H H 1 7.935 0.030 . 1 . . . . 130 LEU H . 11094 1 1520 . 1 1 130 130 LEU HA H 1 4.533 0.030 . 1 . . . . 130 LEU HA . 11094 1 1521 . 1 1 130 130 LEU HB2 H 1 1.532 0.030 . 2 . . . . 130 LEU HB2 . 11094 1 1522 . 1 1 130 130 LEU HB3 H 1 1.484 0.030 . 2 . . . . 130 LEU HB3 . 11094 1 1523 . 1 1 130 130 LEU HD11 H 1 0.850 0.030 . 1 . . . . 130 LEU HD1 . 11094 1 1524 . 1 1 130 130 LEU HD12 H 1 0.850 0.030 . 1 . . . . 130 LEU HD1 . 11094 1 1525 . 1 1 130 130 LEU HD13 H 1 0.850 0.030 . 1 . . . . 130 LEU HD1 . 11094 1 1526 . 1 1 130 130 LEU HD21 H 1 0.852 0.030 . 1 . . . . 130 LEU HD2 . 11094 1 1527 . 1 1 130 130 LEU HD22 H 1 0.852 0.030 . 1 . . . . 130 LEU HD2 . 11094 1 1528 . 1 1 130 130 LEU HD23 H 1 0.852 0.030 . 1 . . . . 130 LEU HD2 . 11094 1 1529 . 1 1 130 130 LEU HG H 1 1.594 0.030 . 1 . . . . 130 LEU HG . 11094 1 1530 . 1 1 130 130 LEU C C 13 175.085 0.300 . 1 . . . . 130 LEU C . 11094 1 1531 . 1 1 130 130 LEU CA C 13 53.083 0.300 . 1 . . . . 130 LEU CA . 11094 1 1532 . 1 1 130 130 LEU CB C 13 41.623 0.300 . 1 . . . . 130 LEU CB . 11094 1 1533 . 1 1 130 130 LEU CD1 C 13 25.149 0.300 . 2 . . . . 130 LEU CD1 . 11094 1 1534 . 1 1 130 130 LEU CD2 C 13 23.274 0.300 . 2 . . . . 130 LEU CD2 . 11094 1 1535 . 1 1 130 130 LEU CG C 13 27.044 0.300 . 1 . . . . 130 LEU CG . 11094 1 1536 . 1 1 130 130 LEU N N 15 123.445 0.300 . 1 . . . . 130 LEU N . 11094 1 1537 . 1 1 131 131 PRO HA H 1 4.362 0.030 . 1 . . . . 131 PRO HA . 11094 1 1538 . 1 1 131 131 PRO HB2 H 1 2.221 0.030 . 2 . . . . 131 PRO HB2 . 11094 1 1539 . 1 1 131 131 PRO HB3 H 1 1.817 0.030 . 2 . . . . 131 PRO HB3 . 11094 1 1540 . 1 1 131 131 PRO HD2 H 1 3.562 0.030 . 2 . . . . 131 PRO HD2 . 11094 1 1541 . 1 1 131 131 PRO HD3 H 1 3.774 0.030 . 2 . . . . 131 PRO HD3 . 11094 1 1542 . 1 1 131 131 PRO HG2 H 1 1.965 0.030 . 2 . . . . 131 PRO HG2 . 11094 1 1543 . 1 1 131 131 PRO C C 13 176.785 0.300 . 1 . . . . 131 PRO C . 11094 1 1544 . 1 1 131 131 PRO CA C 13 62.886 0.300 . 1 . . . . 131 PRO CA . 11094 1 1545 . 1 1 131 131 PRO CB C 13 32.044 0.300 . 1 . . . . 131 PRO CB . 11094 1 1546 . 1 1 131 131 PRO CD C 13 50.538 0.300 . 1 . . . . 131 PRO CD . 11094 1 1547 . 1 1 131 131 PRO CG C 13 27.402 0.300 . 1 . . . . 131 PRO CG . 11094 1 1548 . 1 1 132 132 ARG H H 1 8.377 0.030 . 1 . . . . 132 ARG H . 11094 1 1549 . 1 1 132 132 ARG HA H 1 4.260 0.030 . 1 . . . . 132 ARG HA . 11094 1 1550 . 1 1 132 132 ARG HB2 H 1 1.781 0.030 . 2 . . . . 132 ARG HB2 . 11094 1 1551 . 1 1 132 132 ARG HB3 H 1 1.693 0.030 . 2 . . . . 132 ARG HB3 . 11094 1 1552 . 1 1 132 132 ARG HD2 H 1 3.125 0.030 . 1 . . . . 132 ARG HD2 . 11094 1 1553 . 1 1 132 132 ARG HD3 H 1 3.125 0.030 . 1 . . . . 132 ARG HD3 . 11094 1 1554 . 1 1 132 132 ARG HG2 H 1 1.621 0.030 . 2 . . . . 132 ARG HG2 . 11094 1 1555 . 1 1 132 132 ARG HG3 H 1 1.533 0.030 . 2 . . . . 132 ARG HG3 . 11094 1 1556 . 1 1 132 132 ARG C C 13 175.781 0.300 . 1 . . . . 132 ARG C . 11094 1 1557 . 1 1 132 132 ARG CA C 13 55.577 0.300 . 1 . . . . 132 ARG CA . 11094 1 1558 . 1 1 132 132 ARG CB C 13 31.008 0.300 . 1 . . . . 132 ARG CB . 11094 1 1559 . 1 1 132 132 ARG CD C 13 43.268 0.300 . 1 . . . . 132 ARG CD . 11094 1 1560 . 1 1 132 132 ARG CG C 13 27.144 0.300 . 1 . . . . 132 ARG CG . 11094 1 1561 . 1 1 132 132 ARG N N 15 121.601 0.300 . 1 . . . . 132 ARG N . 11094 1 1562 . 1 1 133 133 ALA H H 1 8.348 0.030 . 1 . . . . 133 ALA H . 11094 1 1563 . 1 1 133 133 ALA HA H 1 4.522 0.030 . 1 . . . . 133 ALA HA . 11094 1 1564 . 1 1 133 133 ALA HB1 H 1 1.307 0.030 . 1 . . . . 133 ALA HB . 11094 1 1565 . 1 1 133 133 ALA HB2 H 1 1.307 0.030 . 1 . . . . 133 ALA HB . 11094 1 1566 . 1 1 133 133 ALA HB3 H 1 1.307 0.030 . 1 . . . . 133 ALA HB . 11094 1 1567 . 1 1 133 133 ALA C C 13 175.472 0.300 . 1 . . . . 133 ALA C . 11094 1 1568 . 1 1 133 133 ALA CA C 13 50.404 0.300 . 1 . . . . 133 ALA CA . 11094 1 1569 . 1 1 133 133 ALA CB C 13 18.049 0.300 . 1 . . . . 133 ALA CB . 11094 1 1570 . 1 1 133 133 ALA N N 15 127.009 0.300 . 1 . . . . 133 ALA N . 11094 1 1571 . 1 1 134 134 PRO HA H 1 4.367 0.030 . 1 . . . . 134 PRO HA . 11094 1 1572 . 1 1 134 134 PRO HB2 H 1 1.813 0.030 . 2 . . . . 134 PRO HB2 . 11094 1 1573 . 1 1 134 134 PRO HB3 H 1 2.223 0.030 . 2 . . . . 134 PRO HB3 . 11094 1 1574 . 1 1 134 134 PRO HD2 H 1 3.752 0.030 . 2 . . . . 134 PRO HD2 . 11094 1 1575 . 1 1 134 134 PRO HD3 H 1 3.592 0.030 . 2 . . . . 134 PRO HD3 . 11094 1 1576 . 1 1 134 134 PRO HG2 H 1 1.962 0.030 . 1 . . . . 134 PRO HG2 . 11094 1 1577 . 1 1 134 134 PRO HG3 H 1 1.962 0.030 . 1 . . . . 134 PRO HG3 . 11094 1 1578 . 1 1 134 134 PRO C C 13 176.659 0.300 . 1 . . . . 134 PRO C . 11094 1 1579 . 1 1 134 134 PRO CA C 13 62.915 0.300 . 1 . . . . 134 PRO CA . 11094 1 1580 . 1 1 134 134 PRO CB C 13 32.005 0.300 . 1 . . . . 134 PRO CB . 11094 1 1581 . 1 1 134 134 PRO CD C 13 50.584 0.300 . 1 . . . . 134 PRO CD . 11094 1 1582 . 1 1 134 134 PRO CG C 13 27.320 0.300 . 1 . . . . 134 PRO CG . 11094 1 1583 . 1 1 135 135 GLN H H 1 8.432 0.030 . 1 . . . . 135 GLN H . 11094 1 1584 . 1 1 135 135 GLN HA H 1 4.533 0.030 . 1 . . . . 135 GLN HA . 11094 1 1585 . 1 1 135 135 GLN HB2 H 1 2.013 0.030 . 1 . . . . 135 GLN HB2 . 11094 1 1586 . 1 1 135 135 GLN HB3 H 1 2.013 0.030 . 1 . . . . 135 GLN HB3 . 11094 1 1587 . 1 1 135 135 GLN HG2 H 1 2.232 0.030 . 1 . . . . 135 GLN HG2 . 11094 1 1588 . 1 1 135 135 GLN HG3 H 1 2.232 0.030 . 1 . . . . 135 GLN HG3 . 11094 1 1589 . 1 1 135 135 GLN CA C 13 53.284 0.300 . 1 . . . . 135 GLN CA . 11094 1 1590 . 1 1 135 135 GLN CB C 13 29.110 0.300 . 1 . . . . 135 GLN CB . 11094 1 1591 . 1 1 135 135 GLN CG C 13 36.021 0.300 . 1 . . . . 135 GLN CG . 11094 1 1592 . 1 1 135 135 GLN N N 15 121.773 0.300 . 1 . . . . 135 GLN N . 11094 1 1593 . 1 1 136 136 PRO HA H 1 4.650 0.030 . 1 . . . . 136 PRO HA . 11094 1 1594 . 1 1 136 136 PRO HB2 H 1 2.312 0.030 . 2 . . . . 136 PRO HB2 . 11094 1 1595 . 1 1 136 136 PRO HB3 H 1 1.862 0.030 . 2 . . . . 136 PRO HB3 . 11094 1 1596 . 1 1 136 136 PRO HD2 H 1 3.575 0.030 . 2 . . . . 136 PRO HD2 . 11094 1 1597 . 1 1 136 136 PRO HD3 H 1 3.761 0.030 . 2 . . . . 136 PRO HD3 . 11094 1 1598 . 1 1 136 136 PRO HG2 H 1 1.960 0.030 . 1 . . . . 136 PRO HG2 . 11094 1 1599 . 1 1 136 136 PRO HG3 H 1 1.960 0.030 . 1 . . . . 136 PRO HG3 . 11094 1 1600 . 1 1 136 136 PRO CA C 13 61.490 0.300 . 1 . . . . 136 PRO CA . 11094 1 1601 . 1 1 136 136 PRO CB C 13 30.848 0.300 . 1 . . . . 136 PRO CB . 11094 1 1602 . 1 1 136 136 PRO CD C 13 50.473 0.300 . 1 . . . . 136 PRO CD . 11094 1 1603 . 1 1 136 136 PRO CG C 13 27.381 0.300 . 1 . . . . 136 PRO CG . 11094 1 1604 . 1 1 137 137 PRO HA H 1 4.332 0.030 . 1 . . . . 137 PRO HA . 11094 1 1605 . 1 1 137 137 PRO HB2 H 1 2.224 0.030 . 2 . . . . 137 PRO HB2 . 11094 1 1606 . 1 1 137 137 PRO HB3 H 1 1.811 0.030 . 2 . . . . 137 PRO HB3 . 11094 1 1607 . 1 1 137 137 PRO HD2 H 1 3.602 0.030 . 2 . . . . 137 PRO HD2 . 11094 1 1608 . 1 1 137 137 PRO HD3 H 1 3.752 0.030 . 2 . . . . 137 PRO HD3 . 11094 1 1609 . 1 1 137 137 PRO HG2 H 1 1.963 0.030 . 1 . . . . 137 PRO HG2 . 11094 1 1610 . 1 1 137 137 PRO HG3 H 1 1.963 0.030 . 1 . . . . 137 PRO HG3 . 11094 1 1611 . 1 1 137 137 PRO C C 13 176.705 0.300 . 1 . . . . 137 PRO C . 11094 1 1612 . 1 1 137 137 PRO CA C 13 63.199 0.300 . 1 . . . . 137 PRO CA . 11094 1 1613 . 1 1 137 137 PRO CB C 13 32.044 0.300 . 1 . . . . 137 PRO CB . 11094 1 1614 . 1 1 137 137 PRO CD C 13 50.337 0.300 . 1 . . . . 137 PRO CD . 11094 1 1615 . 1 1 137 137 PRO CG C 13 27.402 0.300 . 1 . . . . 137 PRO CG . 11094 1 1616 . 1 1 138 138 ASN H H 1 8.352 0.030 . 1 . . . . 138 ASN H . 11094 1 1617 . 1 1 138 138 ASN HA H 1 4.577 0.030 . 1 . . . . 138 ASN HA . 11094 1 1618 . 1 1 138 138 ASN HB2 H 1 2.749 0.030 . 1 . . . . 138 ASN HB2 . 11094 1 1619 . 1 1 138 138 ASN HB3 H 1 2.749 0.030 . 1 . . . . 138 ASN HB3 . 11094 1 1620 . 1 1 138 138 ASN C C 13 175.155 0.300 . 1 . . . . 138 ASN C . 11094 1 1621 . 1 1 138 138 ASN CA C 13 53.083 0.300 . 1 . . . . 138 ASN CA . 11094 1 1622 . 1 1 138 138 ASN CB C 13 38.705 0.300 . 1 . . . . 138 ASN CB . 11094 1 1623 . 1 1 138 138 ASN N N 15 117.871 0.300 . 1 . . . . 138 ASN N . 11094 1 1624 . 1 1 139 139 ALA H H 1 8.236 0.030 . 1 . . . . 139 ALA H . 11094 1 1625 . 1 1 139 139 ALA HA H 1 4.224 0.030 . 1 . . . . 139 ALA HA . 11094 1 1626 . 1 1 139 139 ALA HB1 H 1 1.352 0.030 . 1 . . . . 139 ALA HB . 11094 1 1627 . 1 1 139 139 ALA HB2 H 1 1.352 0.030 . 1 . . . . 139 ALA HB . 11094 1 1628 . 1 1 139 139 ALA HB3 H 1 1.352 0.030 . 1 . . . . 139 ALA HB . 11094 1 1629 . 1 1 139 139 ALA C C 13 177.722 0.300 . 1 . . . . 139 ALA C . 11094 1 1630 . 1 1 139 139 ALA CA C 13 52.855 0.300 . 1 . . . . 139 ALA CA . 11094 1 1631 . 1 1 139 139 ALA CB C 13 19.140 0.300 . 1 . . . . 139 ALA CB . 11094 1 1632 . 1 1 139 139 ALA N N 15 124.345 0.300 . 1 . . . . 139 ALA N . 11094 1 1633 . 1 1 140 140 LEU H H 1 8.142 0.030 . 1 . . . . 140 LEU H . 11094 1 1634 . 1 1 140 140 LEU HA H 1 4.227 0.030 . 1 . . . . 140 LEU HA . 11094 1 1635 . 1 1 140 140 LEU HB2 H 1 1.537 0.030 . 1 . . . . 140 LEU HB2 . 11094 1 1636 . 1 1 140 140 LEU HB3 H 1 1.537 0.030 . 1 . . . . 140 LEU HB3 . 11094 1 1637 . 1 1 140 140 LEU HD11 H 1 0.758 0.030 . 1 . . . . 140 LEU HD1 . 11094 1 1638 . 1 1 140 140 LEU HD12 H 1 0.758 0.030 . 1 . . . . 140 LEU HD1 . 11094 1 1639 . 1 1 140 140 LEU HD13 H 1 0.758 0.030 . 1 . . . . 140 LEU HD1 . 11094 1 1640 . 1 1 140 140 LEU HD21 H 1 0.796 0.030 . 1 . . . . 140 LEU HD2 . 11094 1 1641 . 1 1 140 140 LEU HD22 H 1 0.796 0.030 . 1 . . . . 140 LEU HD2 . 11094 1 1642 . 1 1 140 140 LEU HD23 H 1 0.796 0.030 . 1 . . . . 140 LEU HD2 . 11094 1 1643 . 1 1 140 140 LEU HG H 1 1.571 0.030 . 1 . . . . 140 LEU HG . 11094 1 1644 . 1 1 140 140 LEU C C 13 177.873 0.300 . 1 . . . . 140 LEU C . 11094 1 1645 . 1 1 140 140 LEU CA C 13 55.212 0.300 . 1 . . . . 140 LEU CA . 11094 1 1646 . 1 1 140 140 LEU CB C 13 42.075 0.300 . 1 . . . . 140 LEU CB . 11094 1 1647 . 1 1 140 140 LEU CD1 C 13 24.594 0.300 . 2 . . . . 140 LEU CD1 . 11094 1 1648 . 1 1 140 140 LEU CD2 C 13 22.927 0.300 . 2 . . . . 140 LEU CD2 . 11094 1 1649 . 1 1 140 140 LEU CG C 13 27.155 0.300 . 1 . . . . 140 LEU CG . 11094 1 1650 . 1 1 140 140 LEU N N 15 120.376 0.300 . 1 . . . . 140 LEU N . 11094 1 1651 . 1 1 141 141 GLY H H 1 8.217 0.030 . 1 . . . . 141 GLY H . 11094 1 1652 . 1 1 141 141 GLY HA2 H 1 3.826 0.030 . 2 . . . . 141 GLY HA2 . 11094 1 1653 . 1 1 141 141 GLY C C 13 173.684 0.300 . 1 . . . . 141 GLY C . 11094 1 1654 . 1 1 141 141 GLY CA C 13 45.215 0.300 . 1 . . . . 141 GLY CA . 11094 1 1655 . 1 1 141 141 GLY N N 15 108.746 0.300 . 1 . . . . 141 GLY N . 11094 1 1656 . 1 1 142 142 TYR H H 1 7.867 0.030 . 1 . . . . 142 TYR H . 11094 1 1657 . 1 1 142 142 TYR HA H 1 4.597 0.030 . 1 . . . . 142 TYR HA . 11094 1 1658 . 1 1 142 142 TYR HB2 H 1 2.985 0.030 . 2 . . . . 142 TYR HB2 . 11094 1 1659 . 1 1 142 142 TYR HB3 H 1 2.918 0.030 . 2 . . . . 142 TYR HB3 . 11094 1 1660 . 1 1 142 142 TYR HD1 H 1 7.021 0.030 . 1 . . . . 142 TYR HD1 . 11094 1 1661 . 1 1 142 142 TYR HD2 H 1 7.021 0.030 . 1 . . . . 142 TYR HD2 . 11094 1 1662 . 1 1 142 142 TYR HE1 H 1 6.771 0.030 . 1 . . . . 142 TYR HE1 . 11094 1 1663 . 1 1 142 142 TYR HE2 H 1 6.771 0.030 . 1 . . . . 142 TYR HE2 . 11094 1 1664 . 1 1 142 142 TYR C C 13 175.623 0.300 . 1 . . . . 142 TYR C . 11094 1 1665 . 1 1 142 142 TYR CA C 13 57.632 0.300 . 1 . . . . 142 TYR CA . 11094 1 1666 . 1 1 142 142 TYR CB C 13 38.933 0.300 . 1 . . . . 142 TYR CB . 11094 1 1667 . 1 1 142 142 TYR CD1 C 13 133.153 0.300 . 1 . . . . 142 TYR CD1 . 11094 1 1668 . 1 1 142 142 TYR CD2 C 13 133.153 0.300 . 1 . . . . 142 TYR CD2 . 11094 1 1669 . 1 1 142 142 TYR CE1 C 13 118.215 0.300 . 1 . . . . 142 TYR CE1 . 11094 1 1670 . 1 1 142 142 TYR CE2 C 13 118.215 0.300 . 1 . . . . 142 TYR CE2 . 11094 1 1671 . 1 1 142 142 TYR N N 15 119.666 0.300 . 1 . . . . 142 TYR N . 11094 1 1672 . 1 1 143 143 THR H H 1 8.120 0.030 . 1 . . . . 143 THR H . 11094 1 1673 . 1 1 143 143 THR HA H 1 4.292 0.030 . 1 . . . . 143 THR HA . 11094 1 1674 . 1 1 143 143 THR HG21 H 1 1.105 0.030 . 1 . . . . 143 THR HG2 . 11094 1 1675 . 1 1 143 143 THR HG22 H 1 1.105 0.030 . 1 . . . . 143 THR HG2 . 11094 1 1676 . 1 1 143 143 THR HG23 H 1 1.105 0.030 . 1 . . . . 143 THR HG2 . 11094 1 1677 . 1 1 143 143 THR C C 13 173.864 0.300 . 1 . . . . 143 THR C . 11094 1 1678 . 1 1 143 143 THR CA C 13 61.565 0.300 . 1 . . . . 143 THR CA . 11094 1 1679 . 1 1 143 143 THR CB C 13 70.354 0.300 . 1 . . . . 143 THR CB . 11094 1 1680 . 1 1 143 143 THR CG2 C 13 21.483 0.300 . 1 . . . . 143 THR CG2 . 11094 1 1681 . 1 1 143 143 THR N N 15 117.359 0.300 . 1 . . . . 143 THR N . 11094 1 1682 . 1 1 144 144 VAL H H 1 8.190 0.030 . 1 . . . . 144 VAL H . 11094 1 1683 . 1 1 144 144 VAL HA H 1 4.064 0.030 . 1 . . . . 144 VAL HA . 11094 1 1684 . 1 1 144 144 VAL HB H 1 2.060 0.030 . 1 . . . . 144 VAL HB . 11094 1 1685 . 1 1 144 144 VAL HG11 H 1 0.908 0.030 . 1 . . . . 144 VAL HG1 . 11094 1 1686 . 1 1 144 144 VAL HG12 H 1 0.908 0.030 . 1 . . . . 144 VAL HG1 . 11094 1 1687 . 1 1 144 144 VAL HG13 H 1 0.908 0.030 . 1 . . . . 144 VAL HG1 . 11094 1 1688 . 1 1 144 144 VAL HG21 H 1 0.908 0.030 . 1 . . . . 144 VAL HG2 . 11094 1 1689 . 1 1 144 144 VAL HG22 H 1 0.908 0.030 . 1 . . . . 144 VAL HG2 . 11094 1 1690 . 1 1 144 144 VAL HG23 H 1 0.908 0.030 . 1 . . . . 144 VAL HG2 . 11094 1 1691 . 1 1 144 144 VAL C C 13 175.943 0.300 . 1 . . . . 144 VAL C . 11094 1 1692 . 1 1 144 144 VAL CA C 13 62.163 0.300 . 1 . . . . 144 VAL CA . 11094 1 1693 . 1 1 144 144 VAL CB C 13 32.544 0.300 . 1 . . . . 144 VAL CB . 11094 1 1694 . 1 1 144 144 VAL CG1 C 13 20.743 0.300 . 2 . . . . 144 VAL CG1 . 11094 1 1695 . 1 1 144 144 VAL CG2 C 13 20.743 0.300 . 2 . . . . 144 VAL CG2 . 11094 1 1696 . 1 1 144 144 VAL N N 15 123.003 0.300 . 1 . . . . 144 VAL N . 11094 1 1697 . 1 1 145 145 SER H H 1 8.414 0.030 . 1 . . . . 145 SER H . 11094 1 1698 . 1 1 145 145 SER HA H 1 4.121 0.030 . 1 . . . . 145 SER HA . 11094 1 1699 . 1 1 145 145 SER C C 13 173.631 0.300 . 1 . . . . 145 SER C . 11094 1 1700 . 1 1 145 145 SER CA C 13 58.282 0.300 . 1 . . . . 145 SER CA . 11094 1 1701 . 1 1 145 145 SER CB C 13 64.230 0.300 . 1 . . . . 145 SER CB . 11094 1 1702 . 1 1 145 145 SER N N 15 120.420 0.300 . 1 . . . . 145 SER N . 11094 1 1703 . 2 2 1 1 LEU HA H 1 3.584 0.030 . 1 . . . . 201 LEU HA . 11094 1 1704 . 2 2 1 1 LEU HB2 H 1 1.568 0.030 . 2 . . . . 201 LEU HB2 . 11094 1 1705 . 2 2 1 1 LEU HB3 H 1 1.760 0.030 . 2 . . . . 201 LEU HB3 . 11094 1 1706 . 2 2 1 1 LEU HD11 H 1 0.908 0.030 . 1 . . . . 201 LEU HD1 . 11094 1 1707 . 2 2 1 1 LEU HD12 H 1 0.908 0.030 . 1 . . . . 201 LEU HD1 . 11094 1 1708 . 2 2 1 1 LEU HD13 H 1 0.908 0.030 . 1 . . . . 201 LEU HD1 . 11094 1 1709 . 2 2 1 1 LEU HD21 H 1 0.948 0.030 . 1 . . . . 201 LEU HD2 . 11094 1 1710 . 2 2 1 1 LEU HD22 H 1 0.948 0.030 . 1 . . . . 201 LEU HD2 . 11094 1 1711 . 2 2 1 1 LEU HD23 H 1 0.948 0.030 . 1 . . . . 201 LEU HD2 . 11094 1 1712 . 2 2 1 1 LEU HG H 1 1.758 0.030 . 1 . . . . 201 LEU HG . 11094 1 1713 . 2 2 2 2 PHE H H 1 8.562 0.030 . 1 . . . . 202 PHE H . 11094 1 1714 . 2 2 2 2 PHE HA H 1 4.372 0.030 . 1 . . . . 202 PHE HA . 11094 1 1715 . 2 2 2 2 PHE HB2 H 1 2.867 0.030 . 2 . . . . 202 PHE HB2 . 11094 1 1716 . 2 2 2 2 PHE HB3 H 1 2.745 0.030 . 2 . . . . 202 PHE HB3 . 11094 1 1717 . 2 2 2 2 PHE HD1 H 1 7.045 0.030 . 1 . . . . 202 PHE HD1 . 11094 1 1718 . 2 2 2 2 PHE HD2 H 1 7.045 0.030 . 1 . . . . 202 PHE HD2 . 11094 1 1719 . 2 2 2 2 PHE HE1 H 1 7.402 0.030 . 1 . . . . 202 PHE HE1 . 11094 1 1720 . 2 2 2 2 PHE HE2 H 1 7.402 0.030 . 1 . . . . 202 PHE HE2 . 11094 1 1721 . 2 2 2 2 PHE HZ H 1 7.402 0.030 . 1 . . . . 202 PHE HZ . 11094 1 1722 . 2 2 3 3 ARG H H 1 7.814 0.030 . 1 . . . . 203 ARG H . 11094 1 1723 . 2 2 3 3 ARG HA H 1 4.332 0.030 . 1 . . . . 203 ARG HA . 11094 1 1724 . 2 2 3 3 ARG HB2 H 1 1.692 0.030 . 2 . . . . 203 ARG HB2 . 11094 1 1725 . 2 2 3 3 ARG HB3 H 1 1.347 0.030 . 2 . . . . 203 ARG HB3 . 11094 1 1726 . 2 2 3 3 ARG HD2 H 1 3.164 0.030 . 2 . . . . 203 ARG HD2 . 11094 1 1727 . 2 2 3 3 ARG HD3 H 1 3.082 0.030 . 2 . . . . 203 ARG HD3 . 11094 1 1728 . 2 2 3 3 ARG HG2 H 1 1.447 0.030 . 2 . . . . 203 ARG HG2 . 11094 1 1729 . 2 2 3 3 ARG HG3 H 1 1.245 0.030 . 2 . . . . 203 ARG HG3 . 11094 1 1730 . 2 2 4 4 LEU H H 1 8.584 0.030 . 1 . . . . 204 LEU H . 11094 1 1731 . 2 2 4 4 LEU HA H 1 4.402 0.030 . 1 . . . . 204 LEU HA . 11094 1 1732 . 2 2 4 4 LEU HB2 H 1 1.572 0.030 . 2 . . . . 204 LEU HB2 . 11094 1 1733 . 2 2 4 4 LEU HB3 H 1 1.127 0.030 . 2 . . . . 204 LEU HB3 . 11094 1 1734 . 2 2 4 4 LEU HD11 H 1 0.632 0.030 . 1 . . . . 204 LEU HD1 . 11094 1 1735 . 2 2 4 4 LEU HD12 H 1 0.632 0.030 . 1 . . . . 204 LEU HD1 . 11094 1 1736 . 2 2 4 4 LEU HD13 H 1 0.632 0.030 . 1 . . . . 204 LEU HD1 . 11094 1 1737 . 2 2 4 4 LEU HD21 H 1 0.676 0.030 . 1 . . . . 204 LEU HD2 . 11094 1 1738 . 2 2 4 4 LEU HD22 H 1 0.676 0.030 . 1 . . . . 204 LEU HD2 . 11094 1 1739 . 2 2 4 4 LEU HD23 H 1 0.676 0.030 . 1 . . . . 204 LEU HD2 . 11094 1 1740 . 2 2 4 4 LEU HG H 1 1.684 0.030 . 1 . . . . 204 LEU HG . 11094 1 1741 . 2 2 5 5 ARG H H 1 9.578 0.030 . 1 . . . . 205 ARG H . 11094 1 1742 . 2 2 5 5 ARG HA H 1 4.020 0.030 . 1 . . . . 205 ARG HA . 11094 1 1743 . 2 2 5 5 ARG HB2 H 1 1.646 0.030 . 2 . . . . 205 ARG HB2 . 11094 1 1744 . 2 2 5 5 ARG HB3 H 1 1.489 0.030 . 2 . . . . 205 ARG HB3 . 11094 1 1745 . 2 2 5 5 ARG HD2 H 1 3.086 0.030 . 2 . . . . 205 ARG HD2 . 11094 1 1746 . 2 2 5 5 ARG HD3 H 1 3.066 0.030 . 2 . . . . 205 ARG HD3 . 11094 1 1747 . 2 2 5 5 ARG HG2 H 1 1.342 0.030 . 2 . . . . 205 ARG HG2 . 11094 1 1748 . 2 2 5 5 ARG HG3 H 1 1.492 0.030 . 2 . . . . 205 ARG HG3 . 11094 1 1749 . 2 2 6 6 HIS H H 1 7.555 0.030 . 1 . . . . 206 HIS H . 11094 1 1750 . 2 2 6 6 HIS HA H 1 4.676 0.030 . 1 . . . . 206 HIS HA . 11094 1 1751 . 2 2 6 6 HIS HB2 H 1 2.893 0.030 . 2 . . . . 206 HIS HB2 . 11094 1 1752 . 2 2 6 6 HIS HB3 H 1 2.768 0.030 . 2 . . . . 206 HIS HB3 . 11094 1 1753 . 2 2 6 6 HIS HD2 H 1 6.848 0.030 . 1 . . . . 206 HIS HD2 . 11094 1 1754 . 2 2 6 6 HIS HE1 H 1 7.862 0.030 . 1 . . . . 206 HIS HE1 . 11094 1 1755 . 2 2 7 7 PHE HA H 1 4.244 0.030 . 1 . . . . 207 PHE HA . 11094 1 1756 . 2 2 7 7 PHE HB2 H 1 2.747 0.030 . 2 . . . . 207 PHE HB2 . 11094 1 1757 . 2 2 7 7 PHE HB3 H 1 3.012 0.030 . 2 . . . . 207 PHE HB3 . 11094 1 1758 . 2 2 7 7 PHE HD1 H 1 7.012 0.030 . 1 . . . . 207 PHE HD1 . 11094 1 1759 . 2 2 7 7 PHE HD2 H 1 7.012 0.030 . 1 . . . . 207 PHE HD2 . 11094 1 1760 . 2 2 7 7 PHE HE1 H 1 6.837 0.030 . 1 . . . . 207 PHE HE1 . 11094 1 1761 . 2 2 7 7 PHE HE2 H 1 6.837 0.030 . 1 . . . . 207 PHE HE2 . 11094 1 1762 . 2 2 7 7 PHE HZ H 1 6.603 0.030 . 1 . . . . 207 PHE HZ . 11094 1 1763 . 2 2 8 8 PRO HA H 1 4.318 0.030 . 1 . . . . 208 PRO HA . 11094 1 1764 . 2 2 8 8 PRO HB2 H 1 1.720 0.030 . 2 . . . . 208 PRO HB2 . 11094 1 1765 . 2 2 8 8 PRO HB3 H 1 1.683 0.030 . 2 . . . . 208 PRO HB3 . 11094 1 1766 . 2 2 8 8 PRO HD2 H 1 3.472 0.030 . 2 . . . . 208 PRO HD2 . 11094 1 1767 . 2 2 8 8 PRO HD3 H 1 2.227 0.030 . 2 . . . . 208 PRO HD3 . 11094 1 1768 . 2 2 8 8 PRO HG2 H 1 1.449 0.030 . 2 . . . . 208 PRO HG2 . 11094 1 1769 . 2 2 8 8 PRO HG3 H 1 1.345 0.030 . 2 . . . . 208 PRO HG3 . 11094 1 1770 . 2 2 9 9 CYS H H 1 5.766 0.030 . 1 . . . . 209 CYS H . 11094 1 1771 . 2 2 9 9 CYS HA H 1 4.532 0.030 . 1 . . . . 209 CYS HA . 11094 1 1772 . 2 2 9 9 CYS HB2 H 1 2.716 0.030 . 2 . . . . 209 CYS HB2 . 11094 1 1773 . 2 2 9 9 CYS HB3 H 1 2.086 0.030 . 2 . . . . 209 CYS HB3 . 11094 1 1774 . 2 2 10 10 GLY H H 1 9.012 0.030 . 1 . . . . 210 GLY H . 11094 1 1775 . 2 2 10 10 GLY HA2 H 1 3.606 0.030 . 2 . . . . 210 GLY HA2 . 11094 1 1776 . 2 2 10 10 GLY HA3 H 1 3.933 0.030 . 2 . . . . 210 GLY HA3 . 11094 1 1777 . 2 2 11 11 ASN H H 1 7.077 0.030 . 1 . . . . 211 ASN H . 11094 1 1778 . 2 2 11 11 ASN HA H 1 4.589 0.030 . 1 . . . . 211 ASN HA . 11094 1 1779 . 2 2 11 11 ASN HB2 H 1 2.296 0.030 . 2 . . . . 211 ASN HB2 . 11094 1 1780 . 2 2 11 11 ASN HB3 H 1 2.054 0.030 . 2 . . . . 211 ASN HB3 . 11094 1 1781 . 2 2 11 11 ASN HD21 H 1 6.663 0.030 . 2 . . . . 211 ASN HD21 . 11094 1 1782 . 2 2 11 11 ASN HD22 H 1 6.126 0.030 . 2 . . . . 211 ASN HD22 . 11094 1 1783 . 2 2 12 12 VAL H H 1 8.073 0.030 . 1 . . . . 212 VAL H . 11094 1 1784 . 2 2 12 12 VAL HA H 1 4.661 0.030 . 1 . . . . 212 VAL HA . 11094 1 1785 . 2 2 12 12 VAL HB H 1 1.633 0.030 . 1 . . . . 212 VAL HB . 11094 1 1786 . 2 2 12 12 VAL HG11 H 1 0.323 0.030 . 1 . . . . 212 VAL HG1 . 11094 1 1787 . 2 2 12 12 VAL HG12 H 1 0.323 0.030 . 1 . . . . 212 VAL HG1 . 11094 1 1788 . 2 2 12 12 VAL HG13 H 1 0.323 0.030 . 1 . . . . 212 VAL HG1 . 11094 1 1789 . 2 2 12 12 VAL HG21 H 1 0.399 0.030 . 1 . . . . 212 VAL HG2 . 11094 1 1790 . 2 2 12 12 VAL HG22 H 1 0.399 0.030 . 1 . . . . 212 VAL HG2 . 11094 1 1791 . 2 2 12 12 VAL HG23 H 1 0.399 0.030 . 1 . . . . 212 VAL HG2 . 11094 1 1792 . 2 2 13 13 ASN H H 1 8.642 0.030 . 1 . . . . 213 ASN H . 11094 1 1793 . 2 2 13 13 ASN HB2 H 1 1.597 0.030 . 2 . . . . 213 ASN HB2 . 11094 1 1794 . 2 2 13 13 ASN HB3 H 1 2.195 0.030 . 2 . . . . 213 ASN HB3 . 11094 1 1795 . 2 2 13 13 ASN HD21 H 1 6.887 0.030 . 2 . . . . 213 ASN HD21 . 11094 1 1796 . 2 2 13 13 ASN HD22 H 1 7.083 0.030 . 2 . . . . 213 ASN HD22 . 11094 1 1797 . 2 2 14 14 TYR H H 1 8.538 0.030 . 1 . . . . 214 TYR H . 11094 1 1798 . 2 2 14 14 TYR HA H 1 4.499 0.030 . 1 . . . . 214 TYR HA . 11094 1 1799 . 2 2 14 14 TYR HB2 H 1 2.708 0.030 . 2 . . . . 214 TYR HB2 . 11094 1 1800 . 2 2 14 14 TYR HB3 H 1 3.003 0.030 . 2 . . . . 214 TYR HB3 . 11094 1 1801 . 2 2 14 14 TYR HD1 H 1 7.068 0.030 . 1 . . . . 214 TYR HD1 . 11094 1 1802 . 2 2 14 14 TYR HD2 H 1 7.068 0.030 . 1 . . . . 214 TYR HD2 . 11094 1 1803 . 2 2 14 14 TYR HE1 H 1 6.601 0.030 . 1 . . . . 214 TYR HE1 . 11094 1 1804 . 2 2 14 14 TYR HE2 H 1 6.601 0.030 . 1 . . . . 214 TYR HE2 . 11094 1 1805 . 2 2 15 15 GLY H H 1 7.870 0.030 . 1 . . . . 215 GLY H . 11094 1 1806 . 2 2 15 15 GLY HA2 H 1 3.642 0.030 . 2 . . . . 215 GLY HA2 . 11094 1 1807 . 2 2 15 15 GLY HA3 H 1 4.151 0.030 . 2 . . . . 215 GLY HA3 . 11094 1 1808 . 2 2 16 16 TYR H H 1 8.571 0.030 . 1 . . . . 216 TYR H . 11094 1 1809 . 2 2 16 16 TYR HA H 1 4.555 0.030 . 1 . . . . 216 TYR HA . 11094 1 1810 . 2 2 16 16 TYR HB2 H 1 2.817 0.030 . 2 . . . . 216 TYR HB2 . 11094 1 1811 . 2 2 16 16 TYR HB3 H 1 3.107 0.030 . 2 . . . . 216 TYR HB3 . 11094 1 1812 . 2 2 16 16 TYR HD1 H 1 7.192 0.030 . 1 . . . . 216 TYR HD1 . 11094 1 1813 . 2 2 16 16 TYR HD2 H 1 7.192 0.030 . 1 . . . . 216 TYR HD2 . 11094 1 1814 . 2 2 16 16 TYR HE1 H 1 6.769 0.030 . 1 . . . . 216 TYR HE1 . 11094 1 1815 . 2 2 16 16 TYR HE2 H 1 6.769 0.030 . 1 . . . . 216 TYR HE2 . 11094 1 1816 . 2 2 17 17 GLN H H 1 8.586 0.030 . 1 . . . . 217 GLN H . 11094 1 1817 . 2 2 17 17 GLN HA H 1 4.309 0.030 . 1 . . . . 217 GLN HA . 11094 1 1818 . 2 2 17 17 GLN HB2 H 1 1.978 0.030 . 2 . . . . 217 GLN HB2 . 11094 1 1819 . 2 2 17 17 GLN HB3 H 1 2.110 0.030 . 2 . . . . 217 GLN HB3 . 11094 1 1820 . 2 2 17 17 GLN HE21 H 1 6.848 0.030 . 2 . . . . 217 GLN HE21 . 11094 1 1821 . 2 2 17 17 GLN HE22 H 1 7.491 0.030 . 2 . . . . 217 GLN HE22 . 11094 1 1822 . 2 2 17 17 GLN HG2 H 1 2.318 0.030 . 2 . . . . 217 GLN HG2 . 11094 1 1823 . 2 2 17 17 GLN HG3 H 1 2.335 0.030 . 2 . . . . 217 GLN HG3 . 11094 1 1824 . 2 2 18 18 GLN H H 1 8.434 0.030 . 1 . . . . 218 GLN H . 11094 1 1825 . 2 2 18 18 GLN HA H 1 4.352 0.030 . 1 . . . . 218 GLN HA . 11094 1 1826 . 2 2 18 18 GLN HB2 H 1 1.983 0.030 . 2 . . . . 218 GLN HB2 . 11094 1 1827 . 2 2 18 18 GLN HB3 H 1 2.182 0.030 . 2 . . . . 218 GLN HB3 . 11094 1 1828 . 2 2 18 18 GLN HE21 H 1 6.836 0.030 . 2 . . . . 218 GLN HE21 . 11094 1 1829 . 2 2 18 18 GLN HE22 H 1 7.491 0.030 . 2 . . . . 218 GLN HE22 . 11094 1 1830 . 2 2 18 18 GLN HG2 H 1 2.342 0.030 . 1 . . . . 218 GLN HG2 . 11094 1 1831 . 2 2 18 18 GLN HG3 H 1 2.342 0.030 . 1 . . . . 218 GLN HG3 . 11094 1 1832 . 2 2 19 19 GLN H H 1 8.047 0.030 . 1 . . . . 219 GLN H . 11094 1 1833 . 2 2 19 19 GLN HA H 1 4.134 0.030 . 1 . . . . 219 GLN HA . 11094 1 1834 . 2 2 19 19 GLN HB2 H 1 1.929 0.030 . 2 . . . . 219 GLN HB2 . 11094 1 1835 . 2 2 19 19 GLN HB3 H 1 2.094 0.030 . 2 . . . . 219 GLN HB3 . 11094 1 1836 . 2 2 19 19 GLN HE21 H 1 7.514 0.030 . 2 . . . . 219 GLN HE21 . 11094 1 1837 . 2 2 19 19 GLN HE22 H 1 6.734 0.030 . 2 . . . . 219 GLN HE22 . 11094 1 1838 . 2 2 19 19 GLN HG2 H 1 2.264 0.030 . 1 . . . . 219 GLN HG2 . 11094 1 1839 . 2 2 19 19 GLN HG3 H 1 2.264 0.030 . 1 . . . . 219 GLN HG3 . 11094 1 stop_ save_