data_17784 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17784 _Entry.Title ; NMR structure of the PhyRSL-NepR complex from Sphingomonas sp. Fr1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-07-18 _Entry.Accession_date 2011-07-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'NMR structure of the PhyRSL-NepR complex from Sphingomonas sp. Fr1' _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 Sebastien Campagne . . . 17784 2 Fred Damberger . F. . 17784 3 Julia Vorholt . A. . 17784 4 Frederic Allain . H-T . 17784 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 1 'not applicable' 'not applicable' . 17784 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'anti-sigma factor' . 17784 'general stress response' . 17784 'response regulator' . 17784 'sigma factor mimicry' . 17784 'signal transduction' . 17784 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17784 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 831 17784 '15N chemical shifts' 212 17784 '1H chemical shifts' 1415 17784 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 2 . . 2014-02-26 2011-07-18 update BMRB 'update entry citation' 17784 1 . . 2012-04-18 2011-07-18 original author 'original release' 17784 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LFW 'BMRB Entry Tracking System' 17784 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17784 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22550171 _Citation.Full_citation . _Citation.Title 'Structural basis for sigma factor mimicry in the general stress response of Alphaproteobacteria.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 109 _Citation.Journal_issue 21 _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 E1405 _Citation.Page_last E1414 _Citation.Year 2012 _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 Sebastien Campagne . . . 17784 1 2 Fred Damberger . F. . 17784 1 3 Andreas Kaczmarczyk . . . 17784 1 4 Anne Francez-Charlot . . . 17784 1 5 'Frederic H-T' Allain . . . 17784 1 6 Julia Vorholt . A. . 17784 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17784 _Assembly.ID 1 _Assembly.Name 'PhyRSL-NepR complex' _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 . _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 PhyR_sigma_like_domain 1 $PhyR_sigma_like_domain A . yes native no no . . . 17784 1 2 NepR_anti_sigma_factor 2 $NepR_anti_sigma_factor B . yes native no no . . . 17784 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PhyR_sigma_like_domain _Entity.Sf_category entity _Entity.Sf_framecode PhyR_sigma_like_domain _Entity.Entry_ID 17784 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PhyR_sigma_like_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 ; MSLGQQLAPHLPFLRRYGRA LTGSQNQGDKYVRATLEAIV AAPDQFPRDVDPRLGLYRMF QGIWASANADGEAQTSQSDA EGTEAVARARLARMTPLSRQ ALLLTAMEGFSPEDAAYLIE VDTSEVETLVTEALAEIEKQ TRALELVPRGSHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'From residue 144 to 157, amino acid residues of thrombin cleavage site + his tag' _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 157 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17336.539 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LFW . "Nmr Structure Of The Phyrsl-Nepr Complex From Sphingomonas Sp. Fr1" . . . . . 100.00 157 100.00 100.00 9.01e-109 . . . . 17784 1 2 no GB AET62591 . "PhyR [Sphingomonas sp. Fr1]" . . . . . 93.63 269 97.96 98.64 1.13e-95 . . . . 17784 1 3 no GB KIU26946 . "Phyllosphere-induced regulator PhyR [Sphingomonas taxi]" . . . . . 93.63 269 97.28 97.96 8.35e-95 . . . . 17784 1 4 no REF WP_017979560 . "two-component response regulator [Sphingomonas melonis]" . . . . . 93.63 269 97.96 98.64 1.13e-95 . . . . 17784 1 5 no REF WP_043060725 . "Phyllosphere-induced regulator PhyR [Sphingomonas taxi]" . . . . . 93.63 269 97.28 97.96 8.35e-95 . . . . 17784 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 1 MET . 17784 1 2 2 SER . 17784 1 3 3 LEU . 17784 1 4 4 GLY . 17784 1 5 5 GLN . 17784 1 6 6 GLN . 17784 1 7 7 LEU . 17784 1 8 8 ALA . 17784 1 9 9 PRO . 17784 1 10 10 HIS . 17784 1 11 11 LEU . 17784 1 12 12 PRO . 17784 1 13 13 PHE . 17784 1 14 14 LEU . 17784 1 15 15 ARG . 17784 1 16 16 ARG . 17784 1 17 17 TYR . 17784 1 18 18 GLY . 17784 1 19 19 ARG . 17784 1 20 20 ALA . 17784 1 21 21 LEU . 17784 1 22 22 THR . 17784 1 23 23 GLY . 17784 1 24 24 SER . 17784 1 25 25 GLN . 17784 1 26 26 ASN . 17784 1 27 27 GLN . 17784 1 28 28 GLY . 17784 1 29 29 ASP . 17784 1 30 30 LYS . 17784 1 31 31 TYR . 17784 1 32 32 VAL . 17784 1 33 33 ARG . 17784 1 34 34 ALA . 17784 1 35 35 THR . 17784 1 36 36 LEU . 17784 1 37 37 GLU . 17784 1 38 38 ALA . 17784 1 39 39 ILE . 17784 1 40 40 VAL . 17784 1 41 41 ALA . 17784 1 42 42 ALA . 17784 1 43 43 PRO . 17784 1 44 44 ASP . 17784 1 45 45 GLN . 17784 1 46 46 PHE . 17784 1 47 47 PRO . 17784 1 48 48 ARG . 17784 1 49 49 ASP . 17784 1 50 50 VAL . 17784 1 51 51 ASP . 17784 1 52 52 PRO . 17784 1 53 53 ARG . 17784 1 54 54 LEU . 17784 1 55 55 GLY . 17784 1 56 56 LEU . 17784 1 57 57 TYR . 17784 1 58 58 ARG . 17784 1 59 59 MET . 17784 1 60 60 PHE . 17784 1 61 61 GLN . 17784 1 62 62 GLY . 17784 1 63 63 ILE . 17784 1 64 64 TRP . 17784 1 65 65 ALA . 17784 1 66 66 SER . 17784 1 67 67 ALA . 17784 1 68 68 ASN . 17784 1 69 69 ALA . 17784 1 70 70 ASP . 17784 1 71 71 GLY . 17784 1 72 72 GLU . 17784 1 73 73 ALA . 17784 1 74 74 GLN . 17784 1 75 75 THR . 17784 1 76 76 SER . 17784 1 77 77 GLN . 17784 1 78 78 SER . 17784 1 79 79 ASP . 17784 1 80 80 ALA . 17784 1 81 81 GLU . 17784 1 82 82 GLY . 17784 1 83 83 THR . 17784 1 84 84 GLU . 17784 1 85 85 ALA . 17784 1 86 86 VAL . 17784 1 87 87 ALA . 17784 1 88 88 ARG . 17784 1 89 89 ALA . 17784 1 90 90 ARG . 17784 1 91 91 LEU . 17784 1 92 92 ALA . 17784 1 93 93 ARG . 17784 1 94 94 MET . 17784 1 95 95 THR . 17784 1 96 96 PRO . 17784 1 97 97 LEU . 17784 1 98 98 SER . 17784 1 99 99 ARG . 17784 1 100 100 GLN . 17784 1 101 101 ALA . 17784 1 102 102 LEU . 17784 1 103 103 LEU . 17784 1 104 104 LEU . 17784 1 105 105 THR . 17784 1 106 106 ALA . 17784 1 107 107 MET . 17784 1 108 108 GLU . 17784 1 109 109 GLY . 17784 1 110 110 PHE . 17784 1 111 111 SER . 17784 1 112 112 PRO . 17784 1 113 113 GLU . 17784 1 114 114 ASP . 17784 1 115 115 ALA . 17784 1 116 116 ALA . 17784 1 117 117 TYR . 17784 1 118 118 LEU . 17784 1 119 119 ILE . 17784 1 120 120 GLU . 17784 1 121 121 VAL . 17784 1 122 122 ASP . 17784 1 123 123 THR . 17784 1 124 124 SER . 17784 1 125 125 GLU . 17784 1 126 126 VAL . 17784 1 127 127 GLU . 17784 1 128 128 THR . 17784 1 129 129 LEU . 17784 1 130 130 VAL . 17784 1 131 131 THR . 17784 1 132 132 GLU . 17784 1 133 133 ALA . 17784 1 134 134 LEU . 17784 1 135 135 ALA . 17784 1 136 136 GLU . 17784 1 137 137 ILE . 17784 1 138 138 GLU . 17784 1 139 139 LYS . 17784 1 140 140 GLN . 17784 1 141 141 THR . 17784 1 142 142 ARG . 17784 1 143 143 ALA . 17784 1 144 144 LEU . 17784 1 145 145 GLU . 17784 1 146 146 LEU . 17784 1 147 147 VAL . 17784 1 148 148 PRO . 17784 1 149 149 ARG . 17784 1 150 150 GLY . 17784 1 151 151 SER . 17784 1 152 152 HIS . 17784 1 153 153 HIS . 17784 1 154 154 HIS . 17784 1 155 155 HIS . 17784 1 156 156 HIS . 17784 1 157 157 HIS . 17784 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17784 1 . SER 2 2 17784 1 . LEU 3 3 17784 1 . GLY 4 4 17784 1 . GLN 5 5 17784 1 . GLN 6 6 17784 1 . LEU 7 7 17784 1 . ALA 8 8 17784 1 . PRO 9 9 17784 1 . HIS 10 10 17784 1 . LEU 11 11 17784 1 . PRO 12 12 17784 1 . PHE 13 13 17784 1 . LEU 14 14 17784 1 . ARG 15 15 17784 1 . ARG 16 16 17784 1 . TYR 17 17 17784 1 . GLY 18 18 17784 1 . ARG 19 19 17784 1 . ALA 20 20 17784 1 . LEU 21 21 17784 1 . THR 22 22 17784 1 . GLY 23 23 17784 1 . SER 24 24 17784 1 . GLN 25 25 17784 1 . ASN 26 26 17784 1 . GLN 27 27 17784 1 . GLY 28 28 17784 1 . ASP 29 29 17784 1 . LYS 30 30 17784 1 . TYR 31 31 17784 1 . VAL 32 32 17784 1 . ARG 33 33 17784 1 . ALA 34 34 17784 1 . THR 35 35 17784 1 . LEU 36 36 17784 1 . GLU 37 37 17784 1 . ALA 38 38 17784 1 . ILE 39 39 17784 1 . VAL 40 40 17784 1 . ALA 41 41 17784 1 . ALA 42 42 17784 1 . PRO 43 43 17784 1 . ASP 44 44 17784 1 . GLN 45 45 17784 1 . PHE 46 46 17784 1 . PRO 47 47 17784 1 . ARG 48 48 17784 1 . ASP 49 49 17784 1 . VAL 50 50 17784 1 . ASP 51 51 17784 1 . PRO 52 52 17784 1 . ARG 53 53 17784 1 . LEU 54 54 17784 1 . GLY 55 55 17784 1 . LEU 56 56 17784 1 . TYR 57 57 17784 1 . ARG 58 58 17784 1 . MET 59 59 17784 1 . PHE 60 60 17784 1 . GLN 61 61 17784 1 . GLY 62 62 17784 1 . ILE 63 63 17784 1 . TRP 64 64 17784 1 . ALA 65 65 17784 1 . SER 66 66 17784 1 . ALA 67 67 17784 1 . ASN 68 68 17784 1 . ALA 69 69 17784 1 . ASP 70 70 17784 1 . GLY 71 71 17784 1 . GLU 72 72 17784 1 . ALA 73 73 17784 1 . GLN 74 74 17784 1 . THR 75 75 17784 1 . SER 76 76 17784 1 . GLN 77 77 17784 1 . SER 78 78 17784 1 . ASP 79 79 17784 1 . ALA 80 80 17784 1 . GLU 81 81 17784 1 . GLY 82 82 17784 1 . THR 83 83 17784 1 . GLU 84 84 17784 1 . ALA 85 85 17784 1 . VAL 86 86 17784 1 . ALA 87 87 17784 1 . ARG 88 88 17784 1 . ALA 89 89 17784 1 . ARG 90 90 17784 1 . LEU 91 91 17784 1 . ALA 92 92 17784 1 . ARG 93 93 17784 1 . MET 94 94 17784 1 . THR 95 95 17784 1 . PRO 96 96 17784 1 . LEU 97 97 17784 1 . SER 98 98 17784 1 . ARG 99 99 17784 1 . GLN 100 100 17784 1 . ALA 101 101 17784 1 . LEU 102 102 17784 1 . LEU 103 103 17784 1 . LEU 104 104 17784 1 . THR 105 105 17784 1 . ALA 106 106 17784 1 . MET 107 107 17784 1 . GLU 108 108 17784 1 . GLY 109 109 17784 1 . PHE 110 110 17784 1 . SER 111 111 17784 1 . PRO 112 112 17784 1 . GLU 113 113 17784 1 . ASP 114 114 17784 1 . ALA 115 115 17784 1 . ALA 116 116 17784 1 . TYR 117 117 17784 1 . LEU 118 118 17784 1 . ILE 119 119 17784 1 . GLU 120 120 17784 1 . VAL 121 121 17784 1 . ASP 122 122 17784 1 . THR 123 123 17784 1 . SER 124 124 17784 1 . GLU 125 125 17784 1 . VAL 126 126 17784 1 . GLU 127 127 17784 1 . THR 128 128 17784 1 . LEU 129 129 17784 1 . VAL 130 130 17784 1 . THR 131 131 17784 1 . GLU 132 132 17784 1 . ALA 133 133 17784 1 . LEU 134 134 17784 1 . ALA 135 135 17784 1 . GLU 136 136 17784 1 . ILE 137 137 17784 1 . GLU 138 138 17784 1 . LYS 139 139 17784 1 . GLN 140 140 17784 1 . THR 141 141 17784 1 . ARG 142 142 17784 1 . ALA 143 143 17784 1 . LEU 144 144 17784 1 . GLU 145 145 17784 1 . LEU 146 146 17784 1 . VAL 147 147 17784 1 . PRO 148 148 17784 1 . ARG 149 149 17784 1 . GLY 150 150 17784 1 . SER 151 151 17784 1 . HIS 152 152 17784 1 . HIS 153 153 17784 1 . HIS 154 154 17784 1 . HIS 155 155 17784 1 . HIS 156 156 17784 1 . HIS 157 157 17784 1 stop_ save_ save_NepR_anti_sigma_factor _Entity.Sf_category entity _Entity.Sf_framecode NepR_anti_sigma_factor _Entity.Entry_ID 17784 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name NepR_anti_sigma_factor _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 ; MLDLPGNKDKKASSKKSPAK VQSKDRDMGAALRSAYQKTI EEQVPDEMLDLLNKLALELV PR ; _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 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'From residue 57-62, amino acids of the thrombin cleavage site' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6923.098 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LFW . "Nmr Structure Of The Phyrsl-Nepr Complex From Sphingomonas Sp. Fr1" . . . . . 100.00 62 100.00 100.00 3.15e-34 . . . . 17784 2 2 no GB AET62590 . "NepR [Sphingomonas sp. Fr1]" . . . . . 90.32 56 100.00 100.00 9.57e-30 . . . . 17784 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 1 MET . 17784 2 2 2 LEU . 17784 2 3 3 ASP . 17784 2 4 4 LEU . 17784 2 5 5 PRO . 17784 2 6 6 GLY . 17784 2 7 7 ASN . 17784 2 8 8 LYS . 17784 2 9 9 ASP . 17784 2 10 10 LYS . 17784 2 11 11 LYS . 17784 2 12 12 ALA . 17784 2 13 13 SER . 17784 2 14 14 SER . 17784 2 15 15 LYS . 17784 2 16 16 LYS . 17784 2 17 17 SER . 17784 2 18 18 PRO . 17784 2 19 19 ALA . 17784 2 20 20 LYS . 17784 2 21 21 VAL . 17784 2 22 22 GLN . 17784 2 23 23 SER . 17784 2 24 24 LYS . 17784 2 25 25 ASP . 17784 2 26 26 ARG . 17784 2 27 27 ASP . 17784 2 28 28 MET . 17784 2 29 29 GLY . 17784 2 30 30 ALA . 17784 2 31 31 ALA . 17784 2 32 32 LEU . 17784 2 33 33 ARG . 17784 2 34 34 SER . 17784 2 35 35 ALA . 17784 2 36 36 TYR . 17784 2 37 37 GLN . 17784 2 38 38 LYS . 17784 2 39 39 THR . 17784 2 40 40 ILE . 17784 2 41 41 GLU . 17784 2 42 42 GLU . 17784 2 43 43 GLN . 17784 2 44 44 VAL . 17784 2 45 45 PRO . 17784 2 46 46 ASP . 17784 2 47 47 GLU . 17784 2 48 48 MET . 17784 2 49 49 LEU . 17784 2 50 50 ASP . 17784 2 51 51 LEU . 17784 2 52 52 LEU . 17784 2 53 53 ASN . 17784 2 54 54 LYS . 17784 2 55 55 LEU . 17784 2 56 56 ALA . 17784 2 57 57 LEU . 17784 2 58 58 GLU . 17784 2 59 59 LEU . 17784 2 60 60 VAL . 17784 2 61 61 PRO . 17784 2 62 62 ARG . 17784 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 . MET 1 1 17784 2 . LEU 2 2 17784 2 . ASP 3 3 17784 2 . LEU 4 4 17784 2 . PRO 5 5 17784 2 . GLY 6 6 17784 2 . ASN 7 7 17784 2 . LYS 8 8 17784 2 . ASP 9 9 17784 2 . LYS 10 10 17784 2 . LYS 11 11 17784 2 . ALA 12 12 17784 2 . SER 13 13 17784 2 . SER 14 14 17784 2 . LYS 15 15 17784 2 . LYS 16 16 17784 2 . SER 17 17 17784 2 . PRO 18 18 17784 2 . ALA 19 19 17784 2 . LYS 20 20 17784 2 . VAL 21 21 17784 2 . GLN 22 22 17784 2 . SER 23 23 17784 2 . LYS 24 24 17784 2 . ASP 25 25 17784 2 . ARG 26 26 17784 2 . ASP 27 27 17784 2 . MET 28 28 17784 2 . GLY 29 29 17784 2 . ALA 30 30 17784 2 . ALA 31 31 17784 2 . LEU 32 32 17784 2 . ARG 33 33 17784 2 . SER 34 34 17784 2 . ALA 35 35 17784 2 . TYR 36 36 17784 2 . GLN 37 37 17784 2 . LYS 38 38 17784 2 . THR 39 39 17784 2 . ILE 40 40 17784 2 . GLU 41 41 17784 2 . GLU 42 42 17784 2 . GLN 43 43 17784 2 . VAL 44 44 17784 2 . PRO 45 45 17784 2 . ASP 46 46 17784 2 . GLU 47 47 17784 2 . MET 48 48 17784 2 . LEU 49 49 17784 2 . ASP 50 50 17784 2 . LEU 51 51 17784 2 . LEU 52 52 17784 2 . ASN 53 53 17784 2 . LYS 54 54 17784 2 . LEU 55 55 17784 2 . ALA 56 56 17784 2 . LEU 57 57 17784 2 . GLU 58 58 17784 2 . LEU 59 59 17784 2 . VAL 60 60 17784 2 . PRO 61 61 17784 2 . ARG 62 62 17784 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 17784 _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 $PhyR_sigma_like_domain . 907061 organism . 'Sphingomonas sp. Fr1' 'Sphingomonas sp. Fr1' . . Bacteria . Sphingomonas 'Sphingomonas sp. Fr1' . . . . . . . . . . . . . . . . . . 'Alphaproteobacteria living in the phyllosphere' . . 17784 1 2 2 $NepR_anti_sigma_factor . 907061 organism . 'Sphingomonas sp. Fr1' 'Sphingomonas sp. Fr1' . . Bacteria . Sphingomonas 'Sphingomonas sp. Fr1' . . . . . . . . . . . . . . . . . . 'Alphaproteobacteria living in the phyllosphere' . . 17784 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 17784 _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 $PhyR_sigma_like_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET26bII-PhyRSL . . . . . . 17784 1 2 2 $NepR_anti_sigma_factor . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET26bII-NepR . . . . . . 17784 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17784 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'PhyR sigma like domain' '[U-100% 13C; U-100% 15N]' . . 1 $PhyR_sigma_like_domain . . 0.8 . . mM 0.02 . . . 17784 1 2 'NepR anti sigma factor' 'natural abundance' . . 2 $NepR_anti_sigma_factor . . 0.8 . . mM 0.02 . . . 17784 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.05 . . . 17784 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.01 . . . 17784 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17784 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17784 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17784 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'PhyR sigma like domain' 'natural abundance' . . 1 $PhyR_sigma_like_domain . . 0.8 . . mM 0.02 . . . 17784 2 2 'NepR anti sigma factor' '[U-100% 13C; U-100% 15N]' . . 2 $NepR_anti_sigma_factor . . 0.8 . . mM 0.02 . . . 17784 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.05 . . . 17784 2 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.01 . . . 17784 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17784 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17784 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17784 _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' 0.06 . M 17784 1 pH 6.8 . pH 17784 1 pressure 1 . atm 17784 1 temperature 303 . K 17784 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17784 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . www.nmr.ch 17784 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17784 1 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 17784 _Software.ID 2 _Software.Name UNIO _Software.Version 10 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(Torsten Herrmann)' . . 17784 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 17784 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17784 _Software.ID 3 _Software.Name CYANA _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'CYANA (Peter Guntert)' . . 17784 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17784 3 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17784 _Software.ID 4 _Software.Name AMBER _Software.Version 8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 17784 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17784 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17784 _Software.ID 5 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17784 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17784 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 17784 _Software.ID 6 _Software.Name Molmol _Software.Version 2.2K _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 17784 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17784 6 stop_ save_ save_Pymol _Software.Sf_category software _Software.Sf_framecode Pymol _Software.Entry_ID 17784 _Software.ID 7 _Software.Name PyMol _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schrodinger, LLC.' . www.pymol.org 17784 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17784 7 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 17784 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17784 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17784 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17784 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 17784 _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 . 500 'equipped with a triple-channel probehead and actively shielded gradients.' . . 17784 1 2 spectrometer_2 Bruker Avance . 600 'equipped with a triple-channel probehead and actively shielded gradients.' . . 17784 1 3 spectrometer_3 Bruker Avance . 700 'equipped with a triple-channel probehead and actively shielded gradients.' . . 17784 1 4 spectrometer_4 Bruker Avance . 900 'equipped with a triple-channel probehead and actively shielded gradients.' . . 17784 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 17784 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17784 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17784 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17784 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17784 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17784 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17784 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17784 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17784 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17784 1 10 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17784 1 11 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17784 1 12 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17784 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17784 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17784 1 15 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17784 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17784 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17784 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17784 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17784 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17784 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' 1 . . 17784 1 2 '3D 1H-13C NOESY aliphatic' 1 . . 17784 1 3 '3D 1H-13C NOESY aromatic' 1 . . 17784 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 3 3 LEU HA H 1 4.235 0.020 . 1 . . . A 3 LEU HA . 17784 1 2 . 1 1 3 3 LEU HB2 H 1 1.447 0.020 . 2 . . . A 3 LEU HB2 . 17784 1 3 . 1 1 3 3 LEU HB3 H 1 1.581 0.020 . 2 . . . A 3 LEU HB3 . 17784 1 4 . 1 1 3 3 LEU HG H 1 1.224 0.020 . 1 . . . A 3 LEU HG . 17784 1 5 . 1 1 3 3 LEU HD11 H 1 0.487 0.020 . 1 . . . A 3 LEU HD11 . 17784 1 6 . 1 1 3 3 LEU HD12 H 1 0.487 0.020 . 1 . . . A 3 LEU HD12 . 17784 1 7 . 1 1 3 3 LEU HD13 H 1 0.487 0.020 . 1 . . . A 3 LEU HD13 . 17784 1 8 . 1 1 3 3 LEU HD21 H 1 0.478 0.020 . 1 . . . A 3 LEU HD21 . 17784 1 9 . 1 1 3 3 LEU HD22 H 1 0.478 0.020 . 1 . . . A 3 LEU HD22 . 17784 1 10 . 1 1 3 3 LEU HD23 H 1 0.478 0.020 . 1 . . . A 3 LEU HD23 . 17784 1 11 . 1 1 3 3 LEU CA C 13 57.884 0.3 . 1 . . . A 3 LEU CA . 17784 1 12 . 1 1 3 3 LEU CB C 13 41.701 0.3 . 1 . . . A 3 LEU CB . 17784 1 13 . 1 1 3 3 LEU CG C 13 26.874 0.3 . 1 . . . A 3 LEU CG . 17784 1 14 . 1 1 3 3 LEU CD1 C 13 25.094 0.3 . 1 . . . A 3 LEU CD1 . 17784 1 15 . 1 1 3 3 LEU CD2 C 13 22.331 0.3 . 1 . . . A 3 LEU CD2 . 17784 1 16 . 1 1 4 4 GLY H H 1 8.541 0.020 . 1 . . . A 4 GLY H . 17784 1 17 . 1 1 4 4 GLY HA2 H 1 3.521 0.020 . 2 . . . A 4 GLY HA2 . 17784 1 18 . 1 1 4 4 GLY HA3 H 1 4.048 0.020 . 2 . . . A 4 GLY HA3 . 17784 1 19 . 1 1 4 4 GLY CA C 13 48.394 0.3 . 1 . . . A 4 GLY CA . 17784 1 20 . 1 1 4 4 GLY N N 15 104.534 0.3 . 1 . . . A 4 GLY N . 17784 1 21 . 1 1 5 5 GLN H H 1 7.472 0.020 . 1 . . . A 5 GLN H . 17784 1 22 . 1 1 5 5 GLN HA H 1 4.078 0.020 . 1 . . . A 5 GLN HA . 17784 1 23 . 1 1 5 5 GLN HB2 H 1 2.101 0.020 . 2 . . . A 5 GLN HB2 . 17784 1 24 . 1 1 5 5 GLN HB3 H 1 2.157 0.020 . 2 . . . A 5 GLN HB3 . 17784 1 25 . 1 1 5 5 GLN HG2 H 1 2.340 0.020 . 2 . . . A 5 GLN HG2 . 17784 1 26 . 1 1 5 5 GLN HG3 H 1 2.390 0.020 . 2 . . . A 5 GLN HG3 . 17784 1 27 . 1 1 5 5 GLN HE21 H 1 6.890 0.020 . 1 . . . A 5 GLN HE21 . 17784 1 28 . 1 1 5 5 GLN HE22 H 1 7.542 0.020 . 1 . . . A 5 GLN HE22 . 17784 1 29 . 1 1 5 5 GLN C C 13 178.736 0.3 . 1 . . . A 5 GLN C . 17784 1 30 . 1 1 5 5 GLN CA C 13 58.262 0.3 . 1 . . . A 5 GLN CA . 17784 1 31 . 1 1 5 5 GLN CB C 13 28.675 0.3 . 1 . . . A 5 GLN CB . 17784 1 32 . 1 1 5 5 GLN CG C 13 34.211 0.3 . 1 . . . A 5 GLN CG . 17784 1 33 . 1 1 5 5 GLN N N 15 118.346 0.3 . 1 . . . A 5 GLN N . 17784 1 34 . 1 1 5 5 GLN NE2 N 15 113.997 0.3 . 1 . . . A 5 GLN NE2 . 17784 1 35 . 1 1 6 6 GLN H H 1 7.763 0.020 . 1 . . . A 6 GLN H . 17784 1 36 . 1 1 6 6 GLN HA H 1 4.164 0.020 . 1 . . . A 6 GLN HA . 17784 1 37 . 1 1 6 6 GLN HB2 H 1 2.329 0.020 . 2 . . . A 6 GLN HB2 . 17784 1 38 . 1 1 6 6 GLN HB3 H 1 2.093 0.020 . 2 . . . A 6 GLN HB3 . 17784 1 39 . 1 1 6 6 GLN HG2 H 1 2.439 0.020 . 2 . . . A 6 GLN HG2 . 17784 1 40 . 1 1 6 6 GLN HG3 H 1 2.615 0.020 . 2 . . . A 6 GLN HG3 . 17784 1 41 . 1 1 6 6 GLN HE21 H 1 6.751 0.020 . 1 . . . A 6 GLN HE21 . 17784 1 42 . 1 1 6 6 GLN HE22 H 1 7.365 0.020 . 1 . . . A 6 GLN HE22 . 17784 1 43 . 1 1 6 6 GLN C C 13 178.107 0.3 . 1 . . . A 6 GLN C . 17784 1 44 . 1 1 6 6 GLN CA C 13 58.020 0.3 . 1 . . . A 6 GLN CA . 17784 1 45 . 1 1 6 6 GLN CB C 13 29.312 0.3 . 1 . . . A 6 GLN CB . 17784 1 46 . 1 1 6 6 GLN CG C 13 34.668 0.3 . 1 . . . A 6 GLN CG . 17784 1 47 . 1 1 6 6 GLN N N 15 116.814 0.3 . 1 . . . A 6 GLN N . 17784 1 48 . 1 1 6 6 GLN NE2 N 15 110.696 0.3 . 1 . . . A 6 GLN NE2 . 17784 1 49 . 1 1 7 7 LEU H H 1 7.862 0.020 . 1 . . . A 7 LEU H . 17784 1 50 . 1 1 7 7 LEU HA H 1 4.388 0.020 . 1 . . . A 7 LEU HA . 17784 1 51 . 1 1 7 7 LEU HB2 H 1 1.870 0.020 . 2 . . . A 7 LEU HB2 . 17784 1 52 . 1 1 7 7 LEU HB3 H 1 1.258 0.020 . 2 . . . A 7 LEU HB3 . 17784 1 53 . 1 1 7 7 LEU HG H 1 1.225 0.020 . 1 . . . A 7 LEU HG . 17784 1 54 . 1 1 7 7 LEU HD11 H 1 0.883 0.020 . 1 . . . A 7 LEU HD11 . 17784 1 55 . 1 1 7 7 LEU HD12 H 1 0.883 0.020 . 1 . . . A 7 LEU HD12 . 17784 1 56 . 1 1 7 7 LEU HD13 H 1 0.883 0.020 . 1 . . . A 7 LEU HD13 . 17784 1 57 . 1 1 7 7 LEU HD21 H 1 0.553 0.020 . 1 . . . A 7 LEU HD21 . 17784 1 58 . 1 1 7 7 LEU HD22 H 1 0.553 0.020 . 1 . . . A 7 LEU HD22 . 17784 1 59 . 1 1 7 7 LEU HD23 H 1 0.553 0.020 . 1 . . . A 7 LEU HD23 . 17784 1 60 . 1 1 7 7 LEU CA C 13 56.178 0.3 . 1 . . . A 7 LEU CA . 17784 1 61 . 1 1 7 7 LEU CB C 13 42.617 0.3 . 1 . . . A 7 LEU CB . 17784 1 62 . 1 1 7 7 LEU CG C 13 26.877 0.3 . 1 . . . A 7 LEU CG . 17784 1 63 . 1 1 7 7 LEU CD1 C 13 25.107 0.3 . 1 . . . A 7 LEU CD1 . 17784 1 64 . 1 1 7 7 LEU CD2 C 13 25.409 0.3 . 1 . . . A 7 LEU CD2 . 17784 1 65 . 1 1 7 7 LEU N N 15 114.580 0.3 . 1 . . . A 7 LEU N . 17784 1 66 . 1 1 8 8 ALA H H 1 7.544 0.020 . 1 . . . A 8 ALA H . 17784 1 67 . 1 1 8 8 ALA HA H 1 3.962 0.020 . 1 . . . A 8 ALA HA . 17784 1 68 . 1 1 8 8 ALA HB1 H 1 1.475 0.020 . 1 . . . A 8 ALA HB1 . 17784 1 69 . 1 1 8 8 ALA HB2 H 1 1.475 0.020 . 1 . . . A 8 ALA HB2 . 17784 1 70 . 1 1 8 8 ALA HB3 H 1 1.475 0.020 . 1 . . . A 8 ALA HB3 . 17784 1 71 . 1 1 8 8 ALA C C 13 176.382 0.3 . 1 . . . A 8 ALA C . 17784 1 72 . 1 1 8 8 ALA CA C 13 57.476 0.3 . 1 . . . A 8 ALA CA . 17784 1 73 . 1 1 8 8 ALA CB C 13 16.184 0.3 . 1 . . . A 8 ALA CB . 17784 1 74 . 1 1 8 8 ALA N N 15 120.448 0.3 . 1 . . . A 8 ALA N . 17784 1 75 . 1 1 9 9 PRO HA H 1 4.317 0.020 . 1 . . . A 9 PRO HA . 17784 1 76 . 1 1 9 9 PRO HB2 H 1 1.095 0.020 . 2 . . . A 9 PRO HB2 . 17784 1 77 . 1 1 9 9 PRO HB3 H 1 2.218 0.020 . 2 . . . A 9 PRO HB3 . 17784 1 78 . 1 1 9 9 PRO HG2 H 1 1.587 0.020 . 2 . . . A 9 PRO HG2 . 17784 1 79 . 1 1 9 9 PRO HG3 H 1 1.843 0.020 . 2 . . . A 9 PRO HG3 . 17784 1 80 . 1 1 9 9 PRO HD2 H 1 3.308 0.020 . 2 . . . A 9 PRO HD2 . 17784 1 81 . 1 1 9 9 PRO HD3 H 1 3.677 0.020 . 2 . . . A 9 PRO HD3 . 17784 1 82 . 1 1 9 9 PRO CA C 13 64.927 0.3 . 1 . . . A 9 PRO CA . 17784 1 83 . 1 1 9 9 PRO CB C 13 31.338 0.3 . 1 . . . A 9 PRO CB . 17784 1 84 . 1 1 9 9 PRO CG C 13 27.621 0.3 . 1 . . . A 9 PRO CG . 17784 1 85 . 1 1 9 9 PRO CD C 13 50.742 0.3 . 1 . . . A 9 PRO CD . 17784 1 86 . 1 1 10 10 HIS H H 1 7.425 0.020 . 1 . . . A 10 HIS H . 17784 1 87 . 1 1 10 10 HIS HA H 1 5.146 0.020 . 1 . . . A 10 HIS HA . 17784 1 88 . 1 1 10 10 HIS HB2 H 1 3.121 0.020 . 2 . . . A 10 HIS HB2 . 17784 1 89 . 1 1 10 10 HIS HB3 H 1 3.413 0.020 . 2 . . . A 10 HIS HB3 . 17784 1 90 . 1 1 10 10 HIS HD2 H 1 7.268 0.020 . 1 . . . A 10 HIS HD2 . 17784 1 91 . 1 1 10 10 HIS HE1 H 1 7.820 0.020 . 1 . . . A 10 HIS HE1 . 17784 1 92 . 1 1 10 10 HIS CA C 13 56.129 0.3 . 1 . . . A 10 HIS CA . 17784 1 93 . 1 1 10 10 HIS CB C 13 32.435 0.3 . 1 . . . A 10 HIS CB . 17784 1 94 . 1 1 10 10 HIS CD2 C 13 118.114 0.3 . 1 . . . A 10 HIS CD2 . 17784 1 95 . 1 1 10 10 HIS CE1 C 13 139.872 0.3 . 1 . . . A 10 HIS CE1 . 17784 1 96 . 1 1 10 10 HIS N N 15 112.097 0.3 . 1 . . . A 10 HIS N . 17784 1 97 . 1 1 11 11 LEU H H 1 7.647 0.020 . 1 . . . A 11 LEU H . 17784 1 98 . 1 1 11 11 LEU HA H 1 4.189 0.020 . 1 . . . A 11 LEU HA . 17784 1 99 . 1 1 11 11 LEU HB2 H 1 1.600 0.020 . 2 . . . A 11 LEU HB2 . 17784 1 100 . 1 1 11 11 LEU HB3 H 1 1.902 0.020 . 2 . . . A 11 LEU HB3 . 17784 1 101 . 1 1 11 11 LEU HG H 1 1.844 0.020 . 1 . . . A 11 LEU HG . 17784 1 102 . 1 1 11 11 LEU HD11 H 1 0.969 0.020 . 1 . . . A 11 LEU HD11 . 17784 1 103 . 1 1 11 11 LEU HD12 H 1 0.969 0.020 . 1 . . . A 11 LEU HD12 . 17784 1 104 . 1 1 11 11 LEU HD13 H 1 0.969 0.020 . 1 . . . A 11 LEU HD13 . 17784 1 105 . 1 1 11 11 LEU HD21 H 1 0.903 0.020 . 1 . . . A 11 LEU HD21 . 17784 1 106 . 1 1 11 11 LEU HD22 H 1 0.903 0.020 . 1 . . . A 11 LEU HD22 . 17784 1 107 . 1 1 11 11 LEU HD23 H 1 0.903 0.020 . 1 . . . A 11 LEU HD23 . 17784 1 108 . 1 1 11 11 LEU CA C 13 58.569 0.3 . 1 . . . A 11 LEU CA . 17784 1 109 . 1 1 11 11 LEU CB C 13 40.271 0.3 . 1 . . . A 11 LEU CB . 17784 1 110 . 1 1 11 11 LEU CG C 13 27.463 0.3 . 1 . . . A 11 LEU CG . 17784 1 111 . 1 1 11 11 LEU CD1 C 13 25.992 0.3 . 1 . . . A 11 LEU CD1 . 17784 1 112 . 1 1 11 11 LEU CD2 C 13 24.659 0.3 . 1 . . . A 11 LEU CD2 . 17784 1 113 . 1 1 11 11 LEU N N 15 121.080 0.3 . 1 . . . A 11 LEU N . 17784 1 114 . 1 1 12 12 PRO HA H 1 4.084 0.020 . 1 . . . A 12 PRO HA . 17784 1 115 . 1 1 12 12 PRO HB2 H 1 2.418 0.020 . 1 . . . A 12 PRO HB2 . 17784 1 116 . 1 1 12 12 PRO HB3 H 1 2.418 0.020 . 1 . . . A 12 PRO HB3 . 17784 1 117 . 1 1 12 12 PRO HG2 H 1 2.010 0.020 . 2 . . . A 12 PRO HG2 . 17784 1 118 . 1 1 12 12 PRO HG3 H 1 1.725 0.020 . 2 . . . A 12 PRO HG3 . 17784 1 119 . 1 1 12 12 PRO HD2 H 1 3.643 0.020 . 2 . . . A 12 PRO HD2 . 17784 1 120 . 1 1 12 12 PRO HD3 H 1 3.549 0.020 . 2 . . . A 12 PRO HD3 . 17784 1 121 . 1 1 12 12 PRO CA C 13 66.539 0.3 . 1 . . . A 12 PRO CA . 17784 1 122 . 1 1 12 12 PRO CB C 13 31.831 0.3 . 1 . . . A 12 PRO CB . 17784 1 123 . 1 1 12 12 PRO CG C 13 28.770 0.3 . 1 . . . A 12 PRO CG . 17784 1 124 . 1 1 12 12 PRO CD C 13 50.338 0.3 . 1 . . . A 12 PRO CD . 17784 1 125 . 1 1 13 13 PHE H H 1 6.473 0.020 . 1 . . . A 13 PHE H . 17784 1 126 . 1 1 13 13 PHE HA H 1 4.033 0.020 . 1 . . . A 13 PHE HA . 17784 1 127 . 1 1 13 13 PHE HB2 H 1 3.308 0.020 . 2 . . . A 13 PHE HB2 . 17784 1 128 . 1 1 13 13 PHE HB3 H 1 3.605 0.020 . 2 . . . A 13 PHE HB3 . 17784 1 129 . 1 1 13 13 PHE HD1 H 1 7.397 0.020 . 1 . . . A 13 PHE HD1 . 17784 1 130 . 1 1 13 13 PHE HD2 H 1 7.397 0.020 . 1 . . . A 13 PHE HD2 . 17784 1 131 . 1 1 13 13 PHE HE1 H 1 7.487 0.020 . 1 . . . A 13 PHE HE1 . 17784 1 132 . 1 1 13 13 PHE HE2 H 1 7.487 0.020 . 1 . . . A 13 PHE HE2 . 17784 1 133 . 1 1 13 13 PHE HZ H 1 7.353 0.020 . 1 . . . A 13 PHE HZ . 17784 1 134 . 1 1 13 13 PHE C C 13 176.783 0.3 . 1 . . . A 13 PHE C . 17784 1 135 . 1 1 13 13 PHE CA C 13 59.796 0.3 . 1 . . . A 13 PHE CA . 17784 1 136 . 1 1 13 13 PHE CB C 13 37.968 0.3 . 1 . . . A 13 PHE CB . 17784 1 137 . 1 1 13 13 PHE CD2 C 13 131.683 0.3 . 1 . . . A 13 PHE CD2 . 17784 1 138 . 1 1 13 13 PHE CE2 C 13 131.803 0.3 . 1 . . . A 13 PHE CE2 . 17784 1 139 . 1 1 13 13 PHE CZ C 13 129.991 0.3 . 1 . . . A 13 PHE CZ . 17784 1 140 . 1 1 13 13 PHE N N 15 114.105 0.3 . 1 . . . A 13 PHE N . 17784 1 141 . 1 1 14 14 LEU H H 1 8.040 0.020 . 1 . . . A 14 LEU H . 17784 1 142 . 1 1 14 14 LEU HA H 1 3.782 0.020 . 1 . . . A 14 LEU HA . 17784 1 143 . 1 1 14 14 LEU HB2 H 1 1.787 0.020 . 2 . . . A 14 LEU HB2 . 17784 1 144 . 1 1 14 14 LEU HB3 H 1 1.045 0.020 . 2 . . . A 14 LEU HB3 . 17784 1 145 . 1 1 14 14 LEU HG H 1 1.205 0.020 . 1 . . . A 14 LEU HG . 17784 1 146 . 1 1 14 14 LEU HD11 H 1 -0.278 0.020 . 1 . . . A 14 LEU HD11 . 17784 1 147 . 1 1 14 14 LEU HD12 H 1 -0.278 0.020 . 1 . . . A 14 LEU HD12 . 17784 1 148 . 1 1 14 14 LEU HD13 H 1 -0.278 0.020 . 1 . . . A 14 LEU HD13 . 17784 1 149 . 1 1 14 14 LEU HD21 H 1 0.789 0.020 . 1 . . . A 14 LEU HD21 . 17784 1 150 . 1 1 14 14 LEU HD22 H 1 0.789 0.020 . 1 . . . A 14 LEU HD22 . 17784 1 151 . 1 1 14 14 LEU HD23 H 1 0.789 0.020 . 1 . . . A 14 LEU HD23 . 17784 1 152 . 1 1 14 14 LEU C C 13 179.161 0.3 . 1 . . . A 14 LEU C . 17784 1 153 . 1 1 14 14 LEU CA C 13 57.467 0.3 . 1 . . . A 14 LEU CA . 17784 1 154 . 1 1 14 14 LEU CB C 13 41.541 0.3 . 1 . . . A 14 LEU CB . 17784 1 155 . 1 1 14 14 LEU CG C 13 25.398 0.3 . 1 . . . A 14 LEU CG . 17784 1 156 . 1 1 14 14 LEU CD1 C 13 20.443 0.3 . 1 . . . A 14 LEU CD1 . 17784 1 157 . 1 1 14 14 LEU CD2 C 13 25.724 0.3 . 1 . . . A 14 LEU CD2 . 17784 1 158 . 1 1 14 14 LEU N N 15 121.148 0.3 . 1 . . . A 14 LEU N . 17784 1 159 . 1 1 15 15 ARG H H 1 8.376 0.020 . 1 . . . A 15 ARG H . 17784 1 160 . 1 1 15 15 ARG HA H 1 3.746 0.020 . 1 . . . A 15 ARG HA . 17784 1 161 . 1 1 15 15 ARG HB2 H 1 1.854 0.020 . 1 . . . A 15 ARG HB2 . 17784 1 162 . 1 1 15 15 ARG HB3 H 1 1.854 0.020 . 1 . . . A 15 ARG HB3 . 17784 1 163 . 1 1 15 15 ARG HG2 H 1 1.370 0.020 . 1 . . . A 15 ARG HG2 . 17784 1 164 . 1 1 15 15 ARG HG3 H 1 1.370 0.020 . 1 . . . A 15 ARG HG3 . 17784 1 165 . 1 1 15 15 ARG HD2 H 1 3.152 0.020 . 1 . . . A 15 ARG HD2 . 17784 1 166 . 1 1 15 15 ARG HD3 H 1 3.152 0.020 . 1 . . . A 15 ARG HD3 . 17784 1 167 . 1 1 15 15 ARG C C 13 179.179 0.3 . 1 . . . A 15 ARG C . 17784 1 168 . 1 1 15 15 ARG CA C 13 60.118 0.3 . 1 . . . A 15 ARG CA . 17784 1 169 . 1 1 15 15 ARG CB C 13 29.859 0.3 . 1 . . . A 15 ARG CB . 17784 1 170 . 1 1 15 15 ARG CG C 13 28.606 0.3 . 1 . . . A 15 ARG CG . 17784 1 171 . 1 1 15 15 ARG CD C 13 43.389 0.3 . 1 . . . A 15 ARG CD . 17784 1 172 . 1 1 15 15 ARG N N 15 115.281 0.3 . 1 . . . A 15 ARG N . 17784 1 173 . 1 1 16 16 ARG H H 1 7.693 0.020 . 1 . . . A 16 ARG H . 17784 1 174 . 1 1 16 16 ARG HA H 1 3.719 0.020 . 1 . . . A 16 ARG HA . 17784 1 175 . 1 1 16 16 ARG HB2 H 1 0.989 0.020 . 1 . . . A 16 ARG HB2 . 17784 1 176 . 1 1 16 16 ARG HB3 H 1 0.989 0.020 . 1 . . . A 16 ARG HB3 . 17784 1 177 . 1 1 16 16 ARG HG2 H 1 1.484 0.020 . 1 . . . A 16 ARG HG2 . 17784 1 178 . 1 1 16 16 ARG HG3 H 1 1.484 0.020 . 1 . . . A 16 ARG HG3 . 17784 1 179 . 1 1 16 16 ARG HD2 H 1 2.832 0.020 . 1 . . . A 16 ARG HD2 . 17784 1 180 . 1 1 16 16 ARG HD3 H 1 2.832 0.020 . 1 . . . A 16 ARG HD3 . 17784 1 181 . 1 1 16 16 ARG C C 13 175.941 0.3 . 1 . . . A 16 ARG C . 17784 1 182 . 1 1 16 16 ARG CA C 13 60.450 0.3 . 1 . . . A 16 ARG CA . 17784 1 183 . 1 1 16 16 ARG CB C 13 31.762 0.3 . 1 . . . A 16 ARG CB . 17784 1 184 . 1 1 16 16 ARG CD C 13 43.644 0.3 . 1 . . . A 16 ARG CD . 17784 1 185 . 1 1 16 16 ARG N N 15 123.463 0.3 . 1 . . . A 16 ARG N . 17784 1 186 . 1 1 17 17 TYR H H 1 8.322 0.020 . 1 . . . A 17 TYR H . 17784 1 187 . 1 1 17 17 TYR HA H 1 3.975 0.020 . 1 . . . A 17 TYR HA . 17784 1 188 . 1 1 17 17 TYR HB2 H 1 3.234 0.020 . 2 . . . A 17 TYR HB2 . 17784 1 189 . 1 1 17 17 TYR HB3 H 1 2.631 0.020 . 2 . . . A 17 TYR HB3 . 17784 1 190 . 1 1 17 17 TYR HD1 H 1 7.090 0.020 . 1 . . . A 17 TYR HD1 . 17784 1 191 . 1 1 17 17 TYR HD2 H 1 7.090 0.020 . 1 . . . A 17 TYR HD2 . 17784 1 192 . 1 1 17 17 TYR HE1 H 1 6.378 0.020 . 1 . . . A 17 TYR HE1 . 17784 1 193 . 1 1 17 17 TYR HE2 H 1 6.378 0.020 . 1 . . . A 17 TYR HE2 . 17784 1 194 . 1 1 17 17 TYR C C 13 176.839 0.3 . 1 . . . A 17 TYR C . 17784 1 195 . 1 1 17 17 TYR CA C 13 60.964 0.3 . 1 . . . A 17 TYR CA . 17784 1 196 . 1 1 17 17 TYR CB C 13 37.796 0.3 . 1 . . . A 17 TYR CB . 17784 1 197 . 1 1 17 17 TYR CD2 C 13 133.135 0.3 . 1 . . . A 17 TYR CD2 . 17784 1 198 . 1 1 17 17 TYR CE2 C 13 117.674 0.3 . 1 . . . A 17 TYR CE2 . 17784 1 199 . 1 1 17 17 TYR N N 15 120.481 0.3 . 1 . . . A 17 TYR N . 17784 1 200 . 1 1 18 18 GLY H H 1 8.817 0.020 . 1 . . . A 18 GLY H . 17784 1 201 . 1 1 18 18 GLY HA2 H 1 3.234 0.020 . 2 . . . A 18 GLY HA2 . 17784 1 202 . 1 1 18 18 GLY HA3 H 1 3.303 0.020 . 2 . . . A 18 GLY HA3 . 17784 1 203 . 1 1 18 18 GLY C C 13 176.036 0.3 . 1 . . . A 18 GLY C . 17784 1 204 . 1 1 18 18 GLY CA C 13 47.410 0.3 . 1 . . . A 18 GLY CA . 17784 1 205 . 1 1 18 18 GLY N N 15 103.076 0.3 . 1 . . . A 18 GLY N . 17784 1 206 . 1 1 19 19 ARG H H 1 8.068 0.020 . 1 . . . A 19 ARG H . 17784 1 207 . 1 1 19 19 ARG HA H 1 3.856 0.020 . 1 . . . A 19 ARG HA . 17784 1 208 . 1 1 19 19 ARG HB2 H 1 1.849 0.020 . 1 . . . A 19 ARG HB2 . 17784 1 209 . 1 1 19 19 ARG HB3 H 1 1.849 0.020 . 1 . . . A 19 ARG HB3 . 17784 1 210 . 1 1 19 19 ARG HG2 H 1 1.380 0.020 . 1 . . . A 19 ARG HG2 . 17784 1 211 . 1 1 19 19 ARG HG3 H 1 1.380 0.020 . 1 . . . A 19 ARG HG3 . 17784 1 212 . 1 1 19 19 ARG HD2 H 1 3.133 0.020 . 1 . . . A 19 ARG HD2 . 17784 1 213 . 1 1 19 19 ARG HD3 H 1 3.133 0.020 . 1 . . . A 19 ARG HD3 . 17784 1 214 . 1 1 19 19 ARG C C 13 177.606 0.3 . 1 . . . A 19 ARG C . 17784 1 215 . 1 1 19 19 ARG CA C 13 58.654 0.3 . 1 . . . A 19 ARG CA . 17784 1 216 . 1 1 19 19 ARG CB C 13 30.302 0.3 . 1 . . . A 19 ARG CB . 17784 1 217 . 1 1 19 19 ARG CG C 13 28.580 0.3 . 1 . . . A 19 ARG CG . 17784 1 218 . 1 1 19 19 ARG CD C 13 44.845 0.3 . 1 . . . A 19 ARG CD . 17784 1 219 . 1 1 19 19 ARG N N 15 124.437 0.3 . 1 . . . A 19 ARG N . 17784 1 220 . 1 1 20 20 ALA H H 1 7.935 0.020 . 1 . . . A 20 ALA H . 17784 1 221 . 1 1 20 20 ALA HA H 1 3.588 0.020 . 1 . . . A 20 ALA HA . 17784 1 222 . 1 1 20 20 ALA HB1 H 1 0.759 0.020 . 1 . . . A 20 ALA HB1 . 17784 1 223 . 1 1 20 20 ALA HB2 H 1 0.759 0.020 . 1 . . . A 20 ALA HB2 . 17784 1 224 . 1 1 20 20 ALA HB3 H 1 0.759 0.020 . 1 . . . A 20 ALA HB3 . 17784 1 225 . 1 1 20 20 ALA C C 13 178.872 0.3 . 1 . . . A 20 ALA C . 17784 1 226 . 1 1 20 20 ALA CA C 13 54.500 0.3 . 1 . . . A 20 ALA CA . 17784 1 227 . 1 1 20 20 ALA CB C 13 19.598 0.3 . 1 . . . A 20 ALA CB . 17784 1 228 . 1 1 20 20 ALA N N 15 122.909 0.3 . 1 . . . A 20 ALA N . 17784 1 229 . 1 1 21 21 LEU H H 1 8.336 0.020 . 1 . . . A 21 LEU H . 17784 1 230 . 1 1 21 21 LEU HA H 1 3.467 0.020 . 1 . . . A 21 LEU HA . 17784 1 231 . 1 1 21 21 LEU HB2 H 1 0.968 0.020 . 2 . . . A 21 LEU HB2 . 17784 1 232 . 1 1 21 21 LEU HB3 H 1 0.647 0.020 . 2 . . . A 21 LEU HB3 . 17784 1 233 . 1 1 21 21 LEU HG H 1 0.572 0.020 . 1 . . . A 21 LEU HG . 17784 1 234 . 1 1 21 21 LEU HD11 H 1 0.141 0.020 . 1 . . . A 21 LEU HD11 . 17784 1 235 . 1 1 21 21 LEU HD12 H 1 0.141 0.020 . 1 . . . A 21 LEU HD12 . 17784 1 236 . 1 1 21 21 LEU HD13 H 1 0.141 0.020 . 1 . . . A 21 LEU HD13 . 17784 1 237 . 1 1 21 21 LEU HD21 H 1 -0.358 0.020 . 1 . . . A 21 LEU HD21 . 17784 1 238 . 1 1 21 21 LEU HD22 H 1 -0.358 0.020 . 1 . . . A 21 LEU HD22 . 17784 1 239 . 1 1 21 21 LEU HD23 H 1 -0.358 0.020 . 1 . . . A 21 LEU HD23 . 17784 1 240 . 1 1 21 21 LEU C C 13 178.410 0.3 . 1 . . . A 21 LEU C . 17784 1 241 . 1 1 21 21 LEU CA C 13 57.502 0.3 . 1 . . . A 21 LEU CA . 17784 1 242 . 1 1 21 21 LEU CB C 13 42.797 0.3 . 1 . . . A 21 LEU CB . 17784 1 243 . 1 1 21 21 LEU CG C 13 26.199 0.3 . 1 . . . A 21 LEU CG . 17784 1 244 . 1 1 21 21 LEU CD1 C 13 23.031 0.3 . 1 . . . A 21 LEU CD1 . 17784 1 245 . 1 1 21 21 LEU CD2 C 13 23.460 0.3 . 1 . . . A 21 LEU CD2 . 17784 1 246 . 1 1 21 21 LEU N N 15 116.531 0.3 . 1 . . . A 21 LEU N . 17784 1 247 . 1 1 22 22 THR H H 1 7.310 0.020 . 1 . . . A 22 THR H . 17784 1 248 . 1 1 22 22 THR HA H 1 4.368 0.020 . 1 . . . A 22 THR HA . 17784 1 249 . 1 1 22 22 THR HB H 1 4.291 0.020 . 1 . . . A 22 THR HB . 17784 1 250 . 1 1 22 22 THR HG21 H 1 1.312 0.020 . 1 . . . A 22 THR HG21 . 17784 1 251 . 1 1 22 22 THR HG22 H 1 1.312 0.020 . 1 . . . A 22 THR HG22 . 17784 1 252 . 1 1 22 22 THR HG23 H 1 1.312 0.020 . 1 . . . A 22 THR HG23 . 17784 1 253 . 1 1 22 22 THR C C 13 176.560 0.3 . 1 . . . A 22 THR C . 17784 1 254 . 1 1 22 22 THR CA C 13 62.661 0.3 . 1 . . . A 22 THR CA . 17784 1 255 . 1 1 22 22 THR CB C 13 70.699 0.3 . 1 . . . A 22 THR CB . 17784 1 256 . 1 1 22 22 THR CG2 C 13 21.030 0.3 . 1 . . . A 22 THR CG2 . 17784 1 257 . 1 1 22 22 THR N N 15 103.627 0.3 . 1 . . . A 22 THR N . 17784 1 258 . 1 1 23 23 GLY H H 1 7.852 0.020 . 1 . . . A 23 GLY H . 17784 1 259 . 1 1 23 23 GLY HA2 H 1 4.413 0.020 . 2 . . . A 23 GLY HA2 . 17784 1 260 . 1 1 23 23 GLY HA3 H 1 3.879 0.020 . 2 . . . A 23 GLY HA3 . 17784 1 261 . 1 1 23 23 GLY C C 13 173.769 0.3 . 1 . . . A 23 GLY C . 17784 1 262 . 1 1 23 23 GLY CA C 13 45.598 0.3 . 1 . . . A 23 GLY CA . 17784 1 263 . 1 1 23 23 GLY N N 15 110.841 0.3 . 1 . . . A 23 GLY N . 17784 1 264 . 1 1 24 24 SER H H 1 8.015 0.020 . 1 . . . A 24 SER H . 17784 1 265 . 1 1 24 24 SER HA H 1 4.812 0.020 . 1 . . . A 24 SER HA . 17784 1 266 . 1 1 24 24 SER HB2 H 1 3.820 0.020 . 2 . . . A 24 SER HB2 . 17784 1 267 . 1 1 24 24 SER HB3 H 1 4.069 0.020 . 2 . . . A 24 SER HB3 . 17784 1 268 . 1 1 24 24 SER C C 13 173.970 0.3 . 1 . . . A 24 SER C . 17784 1 269 . 1 1 24 24 SER CA C 13 56.693 0.3 . 1 . . . A 24 SER CA . 17784 1 270 . 1 1 24 24 SER CB C 13 65.646 0.3 . 1 . . . A 24 SER CB . 17784 1 271 . 1 1 24 24 SER N N 15 112.602 0.3 . 1 . . . A 24 SER N . 17784 1 272 . 1 1 25 25 GLN H H 1 8.093 0.020 . 1 . . . A 25 GLN H . 17784 1 273 . 1 1 25 25 GLN HA H 1 4.088 0.020 . 1 . . . A 25 GLN HA . 17784 1 274 . 1 1 25 25 GLN HB2 H 1 2.095 0.020 . 2 . . . A 25 GLN HB2 . 17784 1 275 . 1 1 25 25 GLN HB3 H 1 2.113 0.020 . 2 . . . A 25 GLN HB3 . 17784 1 276 . 1 1 25 25 GLN HG2 H 1 2.246 0.020 . 2 . . . A 25 GLN HG2 . 17784 1 277 . 1 1 25 25 GLN HG3 H 1 2.330 0.020 . 2 . . . A 25 GLN HG3 . 17784 1 278 . 1 1 25 25 GLN C C 13 177.179 0.3 . 1 . . . A 25 GLN C . 17784 1 279 . 1 1 25 25 GLN CA C 13 58.860 0.3 . 1 . . . A 25 GLN CA . 17784 1 280 . 1 1 25 25 GLN CB C 13 29.428 0.3 . 1 . . . A 25 GLN CB . 17784 1 281 . 1 1 25 25 GLN CG C 13 35.899 0.3 . 1 . . . A 25 GLN CG . 17784 1 282 . 1 1 25 25 GLN N N 15 121.189 0.3 . 1 . . . A 25 GLN N . 17784 1 283 . 1 1 26 26 ASN H H 1 8.532 0.020 . 1 . . . A 26 ASN H . 17784 1 284 . 1 1 26 26 ASN HA H 1 4.348 0.020 . 1 . . . A 26 ASN HA . 17784 1 285 . 1 1 26 26 ASN HB2 H 1 2.661 0.020 . 2 . . . A 26 ASN HB2 . 17784 1 286 . 1 1 26 26 ASN HB3 H 1 2.770 0.020 . 2 . . . A 26 ASN HB3 . 17784 1 287 . 1 1 26 26 ASN HD21 H 1 6.946 0.020 . 1 . . . A 26 ASN HD21 . 17784 1 288 . 1 1 26 26 ASN HD22 H 1 7.680 0.020 . 1 . . . A 26 ASN HD22 . 17784 1 289 . 1 1 26 26 ASN C C 13 178.085 0.3 . 1 . . . A 26 ASN C . 17784 1 290 . 1 1 26 26 ASN CA C 13 56.589 0.3 . 1 . . . A 26 ASN CA . 17784 1 291 . 1 1 26 26 ASN CB C 13 38.632 0.3 . 1 . . . A 26 ASN CB . 17784 1 292 . 1 1 26 26 ASN N N 15 116.217 0.3 . 1 . . . A 26 ASN N . 17784 1 293 . 1 1 26 26 ASN ND2 N 15 112.841 0.3 . 1 . . . A 26 ASN ND2 . 17784 1 294 . 1 1 27 27 GLN H H 1 7.927 0.020 . 1 . . . A 27 GLN H . 17784 1 295 . 1 1 27 27 GLN HA H 1 4.026 0.020 . 1 . . . A 27 GLN HA . 17784 1 296 . 1 1 27 27 GLN HB2 H 1 2.139 0.020 . 2 . . . A 27 GLN HB2 . 17784 1 297 . 1 1 27 27 GLN HB3 H 1 2.100 0.020 . 2 . . . A 27 GLN HB3 . 17784 1 298 . 1 1 27 27 GLN HG2 H 1 2.439 0.020 . 2 . . . A 27 GLN HG2 . 17784 1 299 . 1 1 27 27 GLN HG3 H 1 2.385 0.020 . 2 . . . A 27 GLN HG3 . 17784 1 300 . 1 1 27 27 GLN HE21 H 1 7.002 0.020 . 1 . . . A 27 GLN HE21 . 17784 1 301 . 1 1 27 27 GLN HE22 H 1 7.269 0.020 . 1 . . . A 27 GLN HE22 . 17784 1 302 . 1 1 27 27 GLN C C 13 178.054 0.3 . 1 . . . A 27 GLN C . 17784 1 303 . 1 1 27 27 GLN CA C 13 58.241 0.3 . 1 . . . A 27 GLN CA . 17784 1 304 . 1 1 27 27 GLN CB C 13 28.406 0.3 . 1 . . . A 27 GLN CB . 17784 1 305 . 1 1 27 27 GLN CG C 13 33.892 0.3 . 1 . . . A 27 GLN CG . 17784 1 306 . 1 1 27 27 GLN N N 15 118.881 0.3 . 1 . . . A 27 GLN N . 17784 1 307 . 1 1 27 27 GLN NE2 N 15 111.850 0.3 . 1 . . . A 27 GLN NE2 . 17784 1 308 . 1 1 28 28 GLY H H 1 8.400 0.020 . 1 . . . A 28 GLY H . 17784 1 309 . 1 1 28 28 GLY HA2 H 1 3.479 0.020 . 2 . . . A 28 GLY HA2 . 17784 1 310 . 1 1 28 28 GLY HA3 H 1 3.728 0.020 . 2 . . . A 28 GLY HA3 . 17784 1 311 . 1 1 28 28 GLY C C 13 176.245 0.3 . 1 . . . A 28 GLY C . 17784 1 312 . 1 1 28 28 GLY CA C 13 48.489 0.3 . 1 . . . A 28 GLY CA . 17784 1 313 . 1 1 28 28 GLY N N 15 108.114 0.3 . 1 . . . A 28 GLY N . 17784 1 314 . 1 1 29 29 ASP H H 1 8.523 0.020 . 1 . . . A 29 ASP H . 17784 1 315 . 1 1 29 29 ASP HA H 1 4.361 0.020 . 1 . . . A 29 ASP HA . 17784 1 316 . 1 1 29 29 ASP HB2 H 1 2.414 0.020 . 2 . . . A 29 ASP HB2 . 17784 1 317 . 1 1 29 29 ASP HB3 H 1 2.814 0.020 . 2 . . . A 29 ASP HB3 . 17784 1 318 . 1 1 29 29 ASP C C 13 178.784 0.3 . 1 . . . A 29 ASP C . 17784 1 319 . 1 1 29 29 ASP CA C 13 56.667 0.3 . 1 . . . A 29 ASP CA . 17784 1 320 . 1 1 29 29 ASP CB C 13 39.538 0.3 . 1 . . . A 29 ASP CB . 17784 1 321 . 1 1 29 29 ASP N N 15 119.935 0.3 . 1 . . . A 29 ASP N . 17784 1 322 . 1 1 30 30 LYS H H 1 7.590 0.020 . 1 . . . A 30 LYS H . 17784 1 323 . 1 1 30 30 LYS HA H 1 3.907 0.020 . 1 . . . A 30 LYS HA . 17784 1 324 . 1 1 30 30 LYS HB2 H 1 1.784 0.020 . 1 . . . A 30 LYS HB2 . 17784 1 325 . 1 1 30 30 LYS HB3 H 1 1.784 0.020 . 1 . . . A 30 LYS HB3 . 17784 1 326 . 1 1 30 30 LYS HG2 H 1 0.834 0.020 . 2 . . . A 30 LYS HG2 . 17784 1 327 . 1 1 30 30 LYS HG3 H 1 1.344 0.020 . 2 . . . A 30 LYS HG3 . 17784 1 328 . 1 1 30 30 LYS HD2 H 1 1.356 0.020 . 2 . . . A 30 LYS HD2 . 17784 1 329 . 1 1 30 30 LYS HD3 H 1 1.446 0.020 . 2 . . . A 30 LYS HD3 . 17784 1 330 . 1 1 30 30 LYS HE2 H 1 2.684 0.020 . 2 . . . A 30 LYS HE2 . 17784 1 331 . 1 1 30 30 LYS HE3 H 1 2.748 0.020 . 2 . . . A 30 LYS HE3 . 17784 1 332 . 1 1 30 30 LYS C C 13 179.817 0.3 . 1 . . . A 30 LYS C . 17784 1 333 . 1 1 30 30 LYS CA C 13 59.891 0.3 . 1 . . . A 30 LYS CA . 17784 1 334 . 1 1 30 30 LYS CB C 13 31.560 0.3 . 1 . . . A 30 LYS CB . 17784 1 335 . 1 1 30 30 LYS CG C 13 24.546 0.3 . 1 . . . A 30 LYS CG . 17784 1 336 . 1 1 30 30 LYS CD C 13 29.443 0.3 . 1 . . . A 30 LYS CD . 17784 1 337 . 1 1 30 30 LYS CE C 13 42.037 0.3 . 1 . . . A 30 LYS CE . 17784 1 338 . 1 1 30 30 LYS N N 15 122.655 0.3 . 1 . . . A 30 LYS N . 17784 1 339 . 1 1 31 31 TYR H H 1 7.584 0.020 . 1 . . . A 31 TYR H . 17784 1 340 . 1 1 31 31 TYR HA H 1 4.384 0.020 . 1 . . . A 31 TYR HA . 17784 1 341 . 1 1 31 31 TYR HB2 H 1 2.826 0.020 . 2 . . . A 31 TYR HB2 . 17784 1 342 . 1 1 31 31 TYR HB3 H 1 3.043 0.020 . 2 . . . A 31 TYR HB3 . 17784 1 343 . 1 1 31 31 TYR HD1 H 1 7.096 0.020 . 1 . . . A 31 TYR HD1 . 17784 1 344 . 1 1 31 31 TYR HD2 H 1 7.096 0.020 . 1 . . . A 31 TYR HD2 . 17784 1 345 . 1 1 31 31 TYR HE1 H 1 6.804 0.020 . 1 . . . A 31 TYR HE1 . 17784 1 346 . 1 1 31 31 TYR HE2 H 1 6.804 0.020 . 1 . . . A 31 TYR HE2 . 17784 1 347 . 1 1 31 31 TYR C C 13 179.531 0.3 . 1 . . . A 31 TYR C . 17784 1 348 . 1 1 31 31 TYR CA C 13 61.325 0.3 . 1 . . . A 31 TYR CA . 17784 1 349 . 1 1 31 31 TYR CB C 13 38.495 0.3 . 1 . . . A 31 TYR CB . 17784 1 350 . 1 1 31 31 TYR CD1 C 13 132.171 0.3 . 1 . . . A 31 TYR CD1 . 17784 1 351 . 1 1 31 31 TYR CE1 C 13 118.310 0.3 . 1 . . . A 31 TYR CE1 . 17784 1 352 . 1 1 31 31 TYR N N 15 117.853 0.3 . 1 . . . A 31 TYR N . 17784 1 353 . 1 1 32 32 VAL H H 1 8.986 0.020 . 1 . . . A 32 VAL H . 17784 1 354 . 1 1 32 32 VAL HA H 1 3.757 0.020 . 1 . . . A 32 VAL HA . 17784 1 355 . 1 1 32 32 VAL HB H 1 2.346 0.020 . 1 . . . A 32 VAL HB . 17784 1 356 . 1 1 32 32 VAL HG11 H 1 1.063 0.020 . 1 . . . A 32 VAL HG11 . 17784 1 357 . 1 1 32 32 VAL HG12 H 1 1.063 0.020 . 1 . . . A 32 VAL HG12 . 17784 1 358 . 1 1 32 32 VAL HG13 H 1 1.063 0.020 . 1 . . . A 32 VAL HG13 . 17784 1 359 . 1 1 32 32 VAL HG21 H 1 0.984 0.020 . 1 . . . A 32 VAL HG21 . 17784 1 360 . 1 1 32 32 VAL HG22 H 1 0.984 0.020 . 1 . . . A 32 VAL HG22 . 17784 1 361 . 1 1 32 32 VAL HG23 H 1 0.984 0.020 . 1 . . . A 32 VAL HG23 . 17784 1 362 . 1 1 32 32 VAL CA C 13 68.656 0.3 . 1 . . . A 32 VAL CA . 17784 1 363 . 1 1 32 32 VAL CB C 13 31.623 0.3 . 1 . . . A 32 VAL CB . 17784 1 364 . 1 1 32 32 VAL CG1 C 13 23.622 0.3 . 1 . . . A 32 VAL CG1 . 17784 1 365 . 1 1 32 32 VAL CG2 C 13 23.162 0.3 . 1 . . . A 32 VAL CG2 . 17784 1 366 . 1 1 32 32 VAL N N 15 125.473 0.3 . 1 . . . A 32 VAL N . 17784 1 367 . 1 1 33 33 ARG H H 1 9.005 0.020 . 1 . . . A 33 ARG H . 17784 1 368 . 1 1 33 33 ARG HA H 1 3.751 0.020 . 1 . . . A 33 ARG HA . 17784 1 369 . 1 1 33 33 ARG HB2 H 1 1.934 0.020 . 2 . . . A 33 ARG HB2 . 17784 1 370 . 1 1 33 33 ARG HB3 H 1 1.891 0.020 . 2 . . . A 33 ARG HB3 . 17784 1 371 . 1 1 33 33 ARG HG2 H 1 1.373 0.020 . 2 . . . A 33 ARG HG2 . 17784 1 372 . 1 1 33 33 ARG HG3 H 1 1.623 0.020 . 2 . . . A 33 ARG HG3 . 17784 1 373 . 1 1 33 33 ARG HD2 H 1 3.153 0.020 . 1 . . . A 33 ARG HD2 . 17784 1 374 . 1 1 33 33 ARG HD3 H 1 3.153 0.020 . 1 . . . A 33 ARG HD3 . 17784 1 375 . 1 1 33 33 ARG C C 13 177.769 0.3 . 1 . . . A 33 ARG C . 17784 1 376 . 1 1 33 33 ARG CA C 13 61.340 0.3 . 1 . . . A 33 ARG CA . 17784 1 377 . 1 1 33 33 ARG CB C 13 29.711 0.3 . 1 . . . A 33 ARG CB . 17784 1 378 . 1 1 33 33 ARG CG C 13 28.529 0.3 . 1 . . . A 33 ARG CG . 17784 1 379 . 1 1 33 33 ARG CD C 13 43.226 0.3 . 1 . . . A 33 ARG CD . 17784 1 380 . 1 1 33 33 ARG N N 15 120.469 0.3 . 1 . . . A 33 ARG N . 17784 1 381 . 1 1 34 34 ALA H H 1 8.077 0.020 . 1 . . . A 34 ALA H . 17784 1 382 . 1 1 34 34 ALA HA H 1 4.211 0.020 . 1 . . . A 34 ALA HA . 17784 1 383 . 1 1 34 34 ALA HB1 H 1 1.544 0.020 . 1 . . . A 34 ALA HB1 . 17784 1 384 . 1 1 34 34 ALA HB2 H 1 1.544 0.020 . 1 . . . A 34 ALA HB2 . 17784 1 385 . 1 1 34 34 ALA HB3 H 1 1.544 0.020 . 1 . . . A 34 ALA HB3 . 17784 1 386 . 1 1 34 34 ALA C C 13 180.630 0.3 . 1 . . . A 34 ALA C . 17784 1 387 . 1 1 34 34 ALA CA C 13 55.021 0.3 . 1 . . . A 34 ALA CA . 17784 1 388 . 1 1 34 34 ALA CB C 13 18.111 0.3 . 1 . . . A 34 ALA CB . 17784 1 389 . 1 1 34 34 ALA N N 15 119.091 0.3 . 1 . . . A 34 ALA N . 17784 1 390 . 1 1 35 35 THR H H 1 8.025 0.020 . 1 . . . A 35 THR H . 17784 1 391 . 1 1 35 35 THR HA H 1 3.829 0.020 . 1 . . . A 35 THR HA . 17784 1 392 . 1 1 35 35 THR HB H 1 4.699 0.020 . 1 . . . A 35 THR HB . 17784 1 393 . 1 1 35 35 THR HG21 H 1 1.218 0.020 . 1 . . . A 35 THR HG21 . 17784 1 394 . 1 1 35 35 THR HG22 H 1 1.218 0.020 . 1 . . . A 35 THR HG22 . 17784 1 395 . 1 1 35 35 THR HG23 H 1 1.218 0.020 . 1 . . . A 35 THR HG23 . 17784 1 396 . 1 1 35 35 THR CA C 13 67.861 0.3 . 1 . . . A 35 THR CA . 17784 1 397 . 1 1 35 35 THR CG2 C 13 21.545 0.3 . 1 . . . A 35 THR CG2 . 17784 1 398 . 1 1 35 35 THR N N 15 118.003 0.3 . 1 . . . A 35 THR N . 17784 1 399 . 1 1 36 36 LEU H H 1 7.895 0.020 . 1 . . . A 36 LEU H . 17784 1 400 . 1 1 36 36 LEU HA H 1 3.951 0.020 . 1 . . . A 36 LEU HA . 17784 1 401 . 1 1 36 36 LEU HB2 H 1 2.133 0.020 . 2 . . . A 36 LEU HB2 . 17784 1 402 . 1 1 36 36 LEU HB3 H 1 2.171 0.020 . 2 . . . A 36 LEU HB3 . 17784 1 403 . 1 1 36 36 LEU HG H 1 1.249 0.020 . 1 . . . A 36 LEU HG . 17784 1 404 . 1 1 36 36 LEU HD11 H 1 0.939 0.020 . 1 . . . A 36 LEU HD11 . 17784 1 405 . 1 1 36 36 LEU HD12 H 1 0.939 0.020 . 1 . . . A 36 LEU HD12 . 17784 1 406 . 1 1 36 36 LEU HD13 H 1 0.939 0.020 . 1 . . . A 36 LEU HD13 . 17784 1 407 . 1 1 36 36 LEU HD21 H 1 0.739 0.020 . 1 . . . A 36 LEU HD21 . 17784 1 408 . 1 1 36 36 LEU HD22 H 1 0.739 0.020 . 1 . . . A 36 LEU HD22 . 17784 1 409 . 1 1 36 36 LEU HD23 H 1 0.739 0.020 . 1 . . . A 36 LEU HD23 . 17784 1 410 . 1 1 36 36 LEU C C 13 178.916 0.3 . 1 . . . A 36 LEU C . 17784 1 411 . 1 1 36 36 LEU CA C 13 58.135 0.3 . 1 . . . A 36 LEU CA . 17784 1 412 . 1 1 36 36 LEU CB C 13 42.746 0.3 . 1 . . . A 36 LEU CB . 17784 1 413 . 1 1 36 36 LEU CD1 C 13 25.992 0.3 . 1 . . . A 36 LEU CD1 . 17784 1 414 . 1 1 36 36 LEU CD2 C 13 21.930 0.3 . 1 . . . A 36 LEU CD2 . 17784 1 415 . 1 1 36 36 LEU N N 15 119.513 0.3 . 1 . . . A 36 LEU N . 17784 1 416 . 1 1 37 37 GLU H H 1 8.873 0.020 . 1 . . . A 37 GLU H . 17784 1 417 . 1 1 37 37 GLU HA H 1 3.785 0.020 . 1 . . . A 37 GLU HA . 17784 1 418 . 1 1 37 37 GLU HB2 H 1 2.112 0.020 . 2 . . . A 37 GLU HB2 . 17784 1 419 . 1 1 37 37 GLU HB3 H 1 1.954 0.020 . 2 . . . A 37 GLU HB3 . 17784 1 420 . 1 1 37 37 GLU HG2 H 1 2.179 0.020 . 2 . . . A 37 GLU HG2 . 17784 1 421 . 1 1 37 37 GLU HG3 H 1 2.486 0.020 . 2 . . . A 37 GLU HG3 . 17784 1 422 . 1 1 37 37 GLU C C 13 179.101 0.3 . 1 . . . A 37 GLU C . 17784 1 423 . 1 1 37 37 GLU CA C 13 59.911 0.3 . 1 . . . A 37 GLU CA . 17784 1 424 . 1 1 37 37 GLU CB C 13 29.563 0.3 . 1 . . . A 37 GLU CB . 17784 1 425 . 1 1 37 37 GLU CG C 13 37.646 0.3 . 1 . . . A 37 GLU CG . 17784 1 426 . 1 1 37 37 GLU N N 15 117.827 0.3 . 1 . . . A 37 GLU N . 17784 1 427 . 1 1 38 38 ALA H H 1 7.893 0.020 . 1 . . . A 38 ALA H . 17784 1 428 . 1 1 38 38 ALA HA H 1 4.159 0.020 . 1 . . . A 38 ALA HA . 17784 1 429 . 1 1 38 38 ALA HB1 H 1 1.557 0.020 . 1 . . . A 38 ALA HB1 . 17784 1 430 . 1 1 38 38 ALA HB2 H 1 1.557 0.020 . 1 . . . A 38 ALA HB2 . 17784 1 431 . 1 1 38 38 ALA HB3 H 1 1.557 0.020 . 1 . . . A 38 ALA HB3 . 17784 1 432 . 1 1 38 38 ALA C C 13 180.366 0.3 . 1 . . . A 38 ALA C . 17784 1 433 . 1 1 38 38 ALA CA C 13 54.851 0.3 . 1 . . . A 38 ALA CA . 17784 1 434 . 1 1 38 38 ALA CB C 13 17.989 0.3 . 1 . . . A 38 ALA CB . 17784 1 435 . 1 1 38 38 ALA N N 15 122.279 0.3 . 1 . . . A 38 ALA N . 17784 1 436 . 1 1 39 39 ILE H H 1 7.745 0.020 . 1 . . . A 39 ILE H . 17784 1 437 . 1 1 39 39 ILE HA H 1 3.681 0.020 . 1 . . . A 39 ILE HA . 17784 1 438 . 1 1 39 39 ILE HB H 1 1.870 0.020 . 1 . . . A 39 ILE HB . 17784 1 439 . 1 1 39 39 ILE HG12 H 1 1.099 0.020 . 2 . . . A 39 ILE HG12 . 17784 1 440 . 1 1 39 39 ILE HG13 H 1 1.066 0.020 . 2 . . . A 39 ILE HG13 . 17784 1 441 . 1 1 39 39 ILE HG21 H 1 0.868 0.020 . 1 . . . A 39 ILE HG21 . 17784 1 442 . 1 1 39 39 ILE HG22 H 1 0.868 0.020 . 1 . . . A 39 ILE HG22 . 17784 1 443 . 1 1 39 39 ILE HG23 H 1 0.868 0.020 . 1 . . . A 39 ILE HG23 . 17784 1 444 . 1 1 39 39 ILE HD11 H 1 0.915 0.020 . 1 . . . A 39 ILE HD11 . 17784 1 445 . 1 1 39 39 ILE HD12 H 1 0.915 0.020 . 1 . . . A 39 ILE HD12 . 17784 1 446 . 1 1 39 39 ILE HD13 H 1 0.915 0.020 . 1 . . . A 39 ILE HD13 . 17784 1 447 . 1 1 39 39 ILE C C 13 178.388 0.3 . 1 . . . A 39 ILE C . 17784 1 448 . 1 1 39 39 ILE CA C 13 65.333 0.3 . 1 . . . A 39 ILE CA . 17784 1 449 . 1 1 39 39 ILE CB C 13 38.262 0.3 . 1 . . . A 39 ILE CB . 17784 1 450 . 1 1 39 39 ILE CG1 C 13 29.426 0.3 . 1 . . . A 39 ILE CG1 . 17784 1 451 . 1 1 39 39 ILE CG2 C 13 19.136 0.3 . 1 . . . A 39 ILE CG2 . 17784 1 452 . 1 1 39 39 ILE CD1 C 13 14.885 0.3 . 1 . . . A 39 ILE CD1 . 17784 1 453 . 1 1 39 39 ILE N N 15 119.315 0.3 . 1 . . . A 39 ILE N . 17784 1 454 . 1 1 40 40 VAL H H 1 8.050 0.020 . 1 . . . A 40 VAL H . 17784 1 455 . 1 1 40 40 VAL HA H 1 3.418 0.020 . 1 . . . A 40 VAL HA . 17784 1 456 . 1 1 40 40 VAL HB H 1 2.037 0.020 . 1 . . . A 40 VAL HB . 17784 1 457 . 1 1 40 40 VAL HG11 H 1 0.885 0.020 . 1 . . . A 40 VAL HG11 . 17784 1 458 . 1 1 40 40 VAL HG12 H 1 0.885 0.020 . 1 . . . A 40 VAL HG12 . 17784 1 459 . 1 1 40 40 VAL HG13 H 1 0.885 0.020 . 1 . . . A 40 VAL HG13 . 17784 1 460 . 1 1 40 40 VAL HG21 H 1 0.978 0.020 . 1 . . . A 40 VAL HG21 . 17784 1 461 . 1 1 40 40 VAL HG22 H 1 0.978 0.020 . 1 . . . A 40 VAL HG22 . 17784 1 462 . 1 1 40 40 VAL HG23 H 1 0.978 0.020 . 1 . . . A 40 VAL HG23 . 17784 1 463 . 1 1 40 40 VAL CA C 13 65.945 0.3 . 1 . . . A 40 VAL CA . 17784 1 464 . 1 1 40 40 VAL CB C 13 31.826 0.3 . 1 . . . A 40 VAL CB . 17784 1 465 . 1 1 40 40 VAL CG1 C 13 21.850 0.3 . 1 . . . A 40 VAL CG1 . 17784 1 466 . 1 1 40 40 VAL CG2 C 13 24.523 0.3 . 1 . . . A 40 VAL CG2 . 17784 1 467 . 1 1 40 40 VAL N N 15 116.986 0.3 . 1 . . . A 40 VAL N . 17784 1 468 . 1 1 41 41 ALA H H 1 7.744 0.020 . 1 . . . A 41 ALA H . 17784 1 469 . 1 1 41 41 ALA HA H 1 4.099 0.020 . 1 . . . A 41 ALA HA . 17784 1 470 . 1 1 41 41 ALA HB1 H 1 1.430 0.020 . 1 . . . A 41 ALA HB1 . 17784 1 471 . 1 1 41 41 ALA HB2 H 1 1.430 0.020 . 1 . . . A 41 ALA HB2 . 17784 1 472 . 1 1 41 41 ALA HB3 H 1 1.430 0.020 . 1 . . . A 41 ALA HB3 . 17784 1 473 . 1 1 41 41 ALA C C 13 178.390 0.3 . 1 . . . A 41 ALA C . 17784 1 474 . 1 1 41 41 ALA CA C 13 53.964 0.3 . 1 . . . A 41 ALA CA . 17784 1 475 . 1 1 41 41 ALA CB C 13 18.634 0.3 . 1 . . . A 41 ALA CB . 17784 1 476 . 1 1 41 41 ALA N N 15 118.296 0.3 . 1 . . . A 41 ALA N . 17784 1 477 . 1 1 42 42 ALA H H 1 7.299 0.020 . 1 . . . A 42 ALA H . 17784 1 478 . 1 1 42 42 ALA HA H 1 4.782 0.020 . 1 . . . A 42 ALA HA . 17784 1 479 . 1 1 42 42 ALA HB1 H 1 1.260 0.020 . 1 . . . A 42 ALA HB1 . 17784 1 480 . 1 1 42 42 ALA HB2 H 1 1.260 0.020 . 1 . . . A 42 ALA HB2 . 17784 1 481 . 1 1 42 42 ALA HB3 H 1 1.260 0.020 . 1 . . . A 42 ALA HB3 . 17784 1 482 . 1 1 42 42 ALA C C 13 173.901 0.3 . 1 . . . A 42 ALA C . 17784 1 483 . 1 1 42 42 ALA CA C 13 50.302 0.3 . 1 . . . A 42 ALA CA . 17784 1 484 . 1 1 42 42 ALA CB C 13 18.645 0.3 . 1 . . . A 42 ALA CB . 17784 1 485 . 1 1 42 42 ALA N N 15 117.703 0.3 . 1 . . . A 42 ALA N . 17784 1 486 . 1 1 43 43 PRO HA H 1 4.392 0.020 . 1 . . . A 43 PRO HA . 17784 1 487 . 1 1 43 43 PRO HB2 H 1 2.119 0.020 . 2 . . . A 43 PRO HB2 . 17784 1 488 . 1 1 43 43 PRO HB3 H 1 1.917 0.020 . 2 . . . A 43 PRO HB3 . 17784 1 489 . 1 1 43 43 PRO HG2 H 1 2.018 0.020 . 2 . . . A 43 PRO HG2 . 17784 1 490 . 1 1 43 43 PRO HG3 H 1 2.115 0.020 . 2 . . . A 43 PRO HG3 . 17784 1 491 . 1 1 43 43 PRO HD2 H 1 3.647 0.020 . 2 . . . A 43 PRO HD2 . 17784 1 492 . 1 1 43 43 PRO HD3 H 1 3.769 0.020 . 2 . . . A 43 PRO HD3 . 17784 1 493 . 1 1 43 43 PRO C C 13 178.548 0.3 . 1 . . . A 43 PRO C . 17784 1 494 . 1 1 43 43 PRO CA C 13 65.879 0.3 . 1 . . . A 43 PRO CA . 17784 1 495 . 1 1 43 43 PRO CB C 13 31.465 0.3 . 1 . . . A 43 PRO CB . 17784 1 496 . 1 1 43 43 PRO CG C 13 27.320 0.3 . 1 . . . A 43 PRO CG . 17784 1 497 . 1 1 43 43 PRO CD C 13 49.689 0.3 . 1 . . . A 43 PRO CD . 17784 1 498 . 1 1 44 44 ASP H H 1 8.634 0.020 . 1 . . . A 44 ASP H . 17784 1 499 . 1 1 44 44 ASP HA H 1 4.412 0.020 . 1 . . . A 44 ASP HA . 17784 1 500 . 1 1 44 44 ASP HB2 H 1 2.673 0.020 . 1 . . . A 44 ASP HB2 . 17784 1 501 . 1 1 44 44 ASP HB3 H 1 2.673 0.020 . 1 . . . A 44 ASP HB3 . 17784 1 502 . 1 1 44 44 ASP C C 13 176.871 0.3 . 1 . . . A 44 ASP C . 17784 1 503 . 1 1 44 44 ASP CA C 13 55.344 0.3 . 1 . . . A 44 ASP CA . 17784 1 504 . 1 1 44 44 ASP CB C 13 39.858 0.3 . 1 . . . A 44 ASP CB . 17784 1 505 . 1 1 44 44 ASP N N 15 114.966 0.3 . 1 . . . A 44 ASP N . 17784 1 506 . 1 1 45 45 GLN H H 1 8.033 0.020 . 1 . . . A 45 GLN H . 17784 1 507 . 1 1 45 45 GLN HA H 1 4.235 0.020 . 1 . . . A 45 GLN HA . 17784 1 508 . 1 1 45 45 GLN HB2 H 1 2.048 0.020 . 2 . . . A 45 GLN HB2 . 17784 1 509 . 1 1 45 45 GLN HB3 H 1 2.292 0.020 . 2 . . . A 45 GLN HB3 . 17784 1 510 . 1 1 45 45 GLN HG2 H 1 2.339 0.020 . 2 . . . A 45 GLN HG2 . 17784 1 511 . 1 1 45 45 GLN HG3 H 1 2.382 0.020 . 2 . . . A 45 GLN HG3 . 17784 1 512 . 1 1 45 45 GLN HE21 H 1 7.483 0.020 . 1 . . . A 45 GLN HE21 . 17784 1 513 . 1 1 45 45 GLN HE22 H 1 6.766 0.020 . 1 . . . A 45 GLN HE22 . 17784 1 514 . 1 1 45 45 GLN C C 13 175.904 0.3 . 1 . . . A 45 GLN C . 17784 1 515 . 1 1 45 45 GLN CA C 13 55.561 0.3 . 1 . . . A 45 GLN CA . 17784 1 516 . 1 1 45 45 GLN CB C 13 28.658 0.3 . 1 . . . A 45 GLN CB . 17784 1 517 . 1 1 45 45 GLN CG C 13 34.268 0.3 . 1 . . . A 45 GLN CG . 17784 1 518 . 1 1 45 45 GLN N N 15 116.921 0.3 . 1 . . . A 45 GLN N . 17784 1 519 . 1 1 45 45 GLN NE2 N 15 113.011 0.3 . 1 . . . A 45 GLN NE2 . 17784 1 520 . 1 1 46 46 PHE H H 1 7.585 0.020 . 1 . . . A 46 PHE H . 17784 1 521 . 1 1 46 46 PHE HA H 1 4.629 0.020 . 1 . . . A 46 PHE HA . 17784 1 522 . 1 1 46 46 PHE HB2 H 1 2.976 0.020 . 2 . . . A 46 PHE HB2 . 17784 1 523 . 1 1 46 46 PHE HB3 H 1 3.119 0.020 . 2 . . . A 46 PHE HB3 . 17784 1 524 . 1 1 46 46 PHE HD1 H 1 7.162 0.020 . 1 . . . A 46 PHE HD1 . 17784 1 525 . 1 1 46 46 PHE HD2 H 1 7.162 0.020 . 1 . . . A 46 PHE HD2 . 17784 1 526 . 1 1 46 46 PHE HE1 H 1 7.214 0.020 . 1 . . . A 46 PHE HE1 . 17784 1 527 . 1 1 46 46 PHE HE2 H 1 7.214 0.020 . 1 . . . A 46 PHE HE2 . 17784 1 528 . 1 1 46 46 PHE HZ H 1 7.713 0.020 . 1 . . . A 46 PHE HZ . 17784 1 529 . 1 1 46 46 PHE C C 13 174.130 0.3 . 1 . . . A 46 PHE C . 17784 1 530 . 1 1 46 46 PHE CA C 13 57.140 0.3 . 1 . . . A 46 PHE CA . 17784 1 531 . 1 1 46 46 PHE CB C 13 39.942 0.3 . 1 . . . A 46 PHE CB . 17784 1 532 . 1 1 46 46 PHE CD1 C 13 132.748 0.3 . 1 . . . A 46 PHE CD1 . 17784 1 533 . 1 1 46 46 PHE CE1 C 13 130.493 0.3 . 1 . . . A 46 PHE CE1 . 17784 1 534 . 1 1 46 46 PHE CZ C 13 130.037 0.3 . 1 . . . A 46 PHE CZ . 17784 1 535 . 1 1 46 46 PHE N N 15 123.776 0.3 . 1 . . . A 46 PHE N . 17784 1 536 . 1 1 47 47 PRO HA H 1 4.175 0.020 . 1 . . . A 47 PRO HA . 17784 1 537 . 1 1 47 47 PRO HB2 H 1 1.572 0.020 . 2 . . . A 47 PRO HB2 . 17784 1 538 . 1 1 47 47 PRO HB3 H 1 2.193 0.020 . 2 . . . A 47 PRO HB3 . 17784 1 539 . 1 1 47 47 PRO HG2 H 1 1.738 0.020 . 2 . . . A 47 PRO HG2 . 17784 1 540 . 1 1 47 47 PRO HG3 H 1 1.606 0.020 . 2 . . . A 47 PRO HG3 . 17784 1 541 . 1 1 47 47 PRO HD2 H 1 3.660 0.020 . 1 . . . A 47 PRO HD2 . 17784 1 542 . 1 1 47 47 PRO HD3 H 1 3.660 0.020 . 1 . . . A 47 PRO HD3 . 17784 1 543 . 1 1 47 47 PRO CA C 13 63.683 0.3 . 1 . . . A 47 PRO CA . 17784 1 544 . 1 1 47 47 PRO CB C 13 32.240 0.3 . 1 . . . A 47 PRO CB . 17784 1 545 . 1 1 47 47 PRO CG C 13 27.460 0.3 . 1 . . . A 47 PRO CG . 17784 1 546 . 1 1 47 47 PRO CD C 13 50.153 0.3 . 1 . . . A 47 PRO CD . 17784 1 547 . 1 1 48 48 ARG H H 1 8.397 0.020 . 1 . . . A 48 ARG H . 17784 1 548 . 1 1 48 48 ARG HA H 1 4.534 0.020 . 1 . . . A 48 ARG HA . 17784 1 549 . 1 1 48 48 ARG HB2 H 1 1.746 0.020 . 2 . . . A 48 ARG HB2 . 17784 1 550 . 1 1 48 48 ARG HB3 H 1 2.040 0.020 . 2 . . . A 48 ARG HB3 . 17784 1 551 . 1 1 48 48 ARG HG2 H 1 1.803 0.020 . 1 . . . A 48 ARG HG2 . 17784 1 552 . 1 1 48 48 ARG HG3 H 1 1.803 0.020 . 1 . . . A 48 ARG HG3 . 17784 1 553 . 1 1 48 48 ARG HD2 H 1 3.270 0.020 . 1 . . . A 48 ARG HD2 . 17784 1 554 . 1 1 48 48 ARG HD3 H 1 3.270 0.020 . 1 . . . A 48 ARG HD3 . 17784 1 555 . 1 1 48 48 ARG C C 13 176.717 0.3 . 1 . . . A 48 ARG C . 17784 1 556 . 1 1 48 48 ARG CA C 13 55.417 0.3 . 1 . . . A 48 ARG CA . 17784 1 557 . 1 1 48 48 ARG CB C 13 31.500 0.3 . 1 . . . A 48 ARG CB . 17784 1 558 . 1 1 48 48 ARG CG C 13 27.472 0.3 . 1 . . . A 48 ARG CG . 17784 1 559 . 1 1 48 48 ARG CD C 13 43.310 0.3 . 1 . . . A 48 ARG CD . 17784 1 560 . 1 1 48 48 ARG N N 15 120.350 0.3 . 1 . . . A 48 ARG N . 17784 1 561 . 1 1 49 49 ASP H H 1 8.859 0.020 . 1 . . . A 49 ASP H . 17784 1 562 . 1 1 49 49 ASP HA H 1 4.466 0.020 . 1 . . . A 49 ASP HA . 17784 1 563 . 1 1 49 49 ASP HB2 H 1 2.621 0.020 . 2 . . . A 49 ASP HB2 . 17784 1 564 . 1 1 49 49 ASP HB3 H 1 2.793 0.020 . 2 . . . A 49 ASP HB3 . 17784 1 565 . 1 1 49 49 ASP C C 13 176.643 0.3 . 1 . . . A 49 ASP C . 17784 1 566 . 1 1 49 49 ASP CA C 13 54.379 0.3 . 1 . . . A 49 ASP CA . 17784 1 567 . 1 1 49 49 ASP CB C 13 39.773 0.3 . 1 . . . A 49 ASP CB . 17784 1 568 . 1 1 49 49 ASP N N 15 117.000 0.3 . 1 . . . A 49 ASP N . 17784 1 569 . 1 1 50 50 VAL H H 1 6.858 0.020 . 1 . . . A 50 VAL H . 17784 1 570 . 1 1 50 50 VAL HA H 1 4.413 0.020 . 1 . . . A 50 VAL HA . 17784 1 571 . 1 1 50 50 VAL HB H 1 1.958 0.020 . 1 . . . A 50 VAL HB . 17784 1 572 . 1 1 50 50 VAL HG11 H 1 0.413 0.020 . 1 . . . A 50 VAL HG11 . 17784 1 573 . 1 1 50 50 VAL HG12 H 1 0.413 0.020 . 1 . . . A 50 VAL HG12 . 17784 1 574 . 1 1 50 50 VAL HG13 H 1 0.413 0.020 . 1 . . . A 50 VAL HG13 . 17784 1 575 . 1 1 50 50 VAL HG21 H 1 0.419 0.020 . 1 . . . A 50 VAL HG21 . 17784 1 576 . 1 1 50 50 VAL HG22 H 1 0.419 0.020 . 1 . . . A 50 VAL HG22 . 17784 1 577 . 1 1 50 50 VAL HG23 H 1 0.419 0.020 . 1 . . . A 50 VAL HG23 . 17784 1 578 . 1 1 50 50 VAL C C 13 174.834 0.3 . 1 . . . A 50 VAL C . 17784 1 579 . 1 1 50 50 VAL CA C 13 58.241 0.3 . 1 . . . A 50 VAL CA . 17784 1 580 . 1 1 50 50 VAL CB C 13 36.198 0.3 . 1 . . . A 50 VAL CB . 17784 1 581 . 1 1 50 50 VAL CG1 C 13 21.218 0.3 . 1 . . . A 50 VAL CG1 . 17784 1 582 . 1 1 50 50 VAL CG2 C 13 17.418 0.3 . 1 . . . A 50 VAL CG2 . 17784 1 583 . 1 1 50 50 VAL N N 15 109.001 0.3 . 1 . . . A 50 VAL N . 17784 1 584 . 1 1 51 51 ASP H H 1 8.446 0.020 . 1 . . . A 51 ASP H . 17784 1 585 . 1 1 51 51 ASP HA H 1 4.671 0.020 . 1 . . . A 51 ASP HA . 17784 1 586 . 1 1 51 51 ASP HB2 H 1 2.533 0.020 . 2 . . . A 51 ASP HB2 . 17784 1 587 . 1 1 51 51 ASP HB3 H 1 2.779 0.020 . 2 . . . A 51 ASP HB3 . 17784 1 588 . 1 1 51 51 ASP CA C 13 52.875 0.3 . 1 . . . A 51 ASP CA . 17784 1 589 . 1 1 51 51 ASP CB C 13 42.077 0.3 . 1 . . . A 51 ASP CB . 17784 1 590 . 1 1 51 51 ASP N N 15 122.884 0.3 . 1 . . . A 51 ASP N . 17784 1 591 . 1 1 52 52 PRO HA H 1 4.164 0.020 . 1 . . . A 52 PRO HA . 17784 1 592 . 1 1 52 52 PRO HB2 H 1 2.500 0.020 . 2 . . . A 52 PRO HB2 . 17784 1 593 . 1 1 52 52 PRO HB3 H 1 2.092 0.020 . 2 . . . A 52 PRO HB3 . 17784 1 594 . 1 1 52 52 PRO HG2 H 1 2.283 0.020 . 2 . . . A 52 PRO HG2 . 17784 1 595 . 1 1 52 52 PRO HG3 H 1 2.129 0.020 . 2 . . . A 52 PRO HG3 . 17784 1 596 . 1 1 52 52 PRO HD2 H 1 3.877 0.020 . 2 . . . A 52 PRO HD2 . 17784 1 597 . 1 1 52 52 PRO HD3 H 1 3.943 0.020 . 2 . . . A 52 PRO HD3 . 17784 1 598 . 1 1 52 52 PRO CA C 13 66.381 0.3 . 1 . . . A 52 PRO CA . 17784 1 599 . 1 1 52 52 PRO CB C 13 31.991 0.3 . 1 . . . A 52 PRO CB . 17784 1 600 . 1 1 52 52 PRO CG C 13 28.016 0.3 . 1 . . . A 52 PRO CG . 17784 1 601 . 1 1 52 52 PRO CD C 13 50.802 0.3 . 1 . . . A 52 PRO CD . 17784 1 602 . 1 1 53 53 ARG H H 1 8.267 0.020 . 1 . . . A 53 ARG H . 17784 1 603 . 1 1 53 53 ARG HA H 1 3.531 0.020 . 1 . . . A 53 ARG HA . 17784 1 604 . 1 1 53 53 ARG HB2 H 1 1.294 0.020 . 1 . . . A 53 ARG HB2 . 17784 1 605 . 1 1 53 53 ARG HB3 H 1 1.294 0.020 . 1 . . . A 53 ARG HB3 . 17784 1 606 . 1 1 53 53 ARG HG2 H 1 0.639 0.020 . 2 . . . A 53 ARG HG2 . 17784 1 607 . 1 1 53 53 ARG HG3 H 1 0.670 0.020 . 2 . . . A 53 ARG HG3 . 17784 1 608 . 1 1 53 53 ARG HD2 H 1 2.842 0.020 . 2 . . . A 53 ARG HD2 . 17784 1 609 . 1 1 53 53 ARG HD3 H 1 2.934 0.020 . 2 . . . A 53 ARG HD3 . 17784 1 610 . 1 1 53 53 ARG C C 13 177.871 0.3 . 1 . . . A 53 ARG C . 17784 1 611 . 1 1 53 53 ARG CA C 13 60.878 0.3 . 1 . . . A 53 ARG CA . 17784 1 612 . 1 1 53 53 ARG CB C 13 28.693 0.3 . 1 . . . A 53 ARG CB . 17784 1 613 . 1 1 53 53 ARG CG C 13 29.897 0.3 . 1 . . . A 53 ARG CG . 17784 1 614 . 1 1 53 53 ARG CD C 13 43.316 0.3 . 1 . . . A 53 ARG CD . 17784 1 615 . 1 1 53 53 ARG N N 15 116.712 0.3 . 1 . . . A 53 ARG N . 17784 1 616 . 1 1 54 54 LEU H H 1 7.271 0.020 . 1 . . . A 54 LEU H . 17784 1 617 . 1 1 54 54 LEU HA H 1 3.925 0.020 . 1 . . . A 54 LEU HA . 17784 1 618 . 1 1 54 54 LEU HB2 H 1 1.688 0.020 . 1 . . . A 54 LEU HB2 . 17784 1 619 . 1 1 54 54 LEU HB3 H 1 1.688 0.020 . 1 . . . A 54 LEU HB3 . 17784 1 620 . 1 1 54 54 LEU HG H 1 1.474 0.020 . 1 . . . A 54 LEU HG . 17784 1 621 . 1 1 54 54 LEU HD11 H 1 0.671 0.020 . 1 . . . A 54 LEU HD11 . 17784 1 622 . 1 1 54 54 LEU HD12 H 1 0.671 0.020 . 1 . . . A 54 LEU HD12 . 17784 1 623 . 1 1 54 54 LEU HD13 H 1 0.671 0.020 . 1 . . . A 54 LEU HD13 . 17784 1 624 . 1 1 54 54 LEU HD21 H 1 0.531 0.020 . 1 . . . A 54 LEU HD21 . 17784 1 625 . 1 1 54 54 LEU HD22 H 1 0.531 0.020 . 1 . . . A 54 LEU HD22 . 17784 1 626 . 1 1 54 54 LEU HD23 H 1 0.531 0.020 . 1 . . . A 54 LEU HD23 . 17784 1 627 . 1 1 54 54 LEU C C 13 179.465 0.3 . 1 . . . A 54 LEU C . 17784 1 628 . 1 1 54 54 LEU CA C 13 57.904 0.3 . 1 . . . A 54 LEU CA . 17784 1 629 . 1 1 54 54 LEU CB C 13 42.014 0.3 . 1 . . . A 54 LEU CB . 17784 1 630 . 1 1 54 54 LEU CG C 13 26.863 0.3 . 1 . . . A 54 LEU CG . 17784 1 631 . 1 1 54 54 LEU CD1 C 13 25.459 0.3 . 1 . . . A 54 LEU CD1 . 17784 1 632 . 1 1 54 54 LEU CD2 C 13 25.373 0.3 . 1 . . . A 54 LEU CD2 . 17784 1 633 . 1 1 54 54 LEU N N 15 119.611 0.3 . 1 . . . A 54 LEU N . 17784 1 634 . 1 1 55 55 GLY H H 1 8.587 0.020 . 1 . . . A 55 GLY H . 17784 1 635 . 1 1 55 55 GLY HA2 H 1 3.137 0.020 . 2 . . . A 55 GLY HA2 . 17784 1 636 . 1 1 55 55 GLY HA3 H 1 3.317 0.020 . 2 . . . A 55 GLY HA3 . 17784 1 637 . 1 1 55 55 GLY C C 13 174.527 0.3 . 1 . . . A 55 GLY C . 17784 1 638 . 1 1 55 55 GLY CA C 13 47.516 0.3 . 1 . . . A 55 GLY CA . 17784 1 639 . 1 1 55 55 GLY N N 15 104.780 0.3 . 1 . . . A 55 GLY N . 17784 1 640 . 1 1 56 56 LEU H H 1 8.587 0.020 . 1 . . . A 56 LEU H . 17784 1 641 . 1 1 56 56 LEU HA H 1 4.223 0.020 . 1 . . . A 56 LEU HA . 17784 1 642 . 1 1 56 56 LEU HB2 H 1 1.969 0.020 . 2 . . . A 56 LEU HB2 . 17784 1 643 . 1 1 56 56 LEU HB3 H 1 2.475 0.020 . 2 . . . A 56 LEU HB3 . 17784 1 644 . 1 1 56 56 LEU HG H 1 1.055 0.020 . 1 . . . A 56 LEU HG . 17784 1 645 . 1 1 56 56 LEU HD11 H 1 0.845 0.020 . 1 . . . A 56 LEU HD11 . 17784 1 646 . 1 1 56 56 LEU HD12 H 1 0.845 0.020 . 1 . . . A 56 LEU HD12 . 17784 1 647 . 1 1 56 56 LEU HD13 H 1 0.845 0.020 . 1 . . . A 56 LEU HD13 . 17784 1 648 . 1 1 56 56 LEU HD21 H 1 0.977 0.020 . 1 . . . A 56 LEU HD21 . 17784 1 649 . 1 1 56 56 LEU HD22 H 1 0.977 0.020 . 1 . . . A 56 LEU HD22 . 17784 1 650 . 1 1 56 56 LEU HD23 H 1 0.977 0.020 . 1 . . . A 56 LEU HD23 . 17784 1 651 . 1 1 56 56 LEU C C 13 178.380 0.3 . 1 . . . A 56 LEU C . 17784 1 652 . 1 1 56 56 LEU CA C 13 58.688 0.3 . 1 . . . A 56 LEU CA . 17784 1 653 . 1 1 56 56 LEU CB C 13 41.927 0.3 . 1 . . . A 56 LEU CB . 17784 1 654 . 1 1 56 56 LEU CG C 13 26.591 0.3 . 1 . . . A 56 LEU CG . 17784 1 655 . 1 1 56 56 LEU CD1 C 13 23.177 0.3 . 1 . . . A 56 LEU CD1 . 17784 1 656 . 1 1 56 56 LEU CD2 C 13 22.203 0.3 . 1 . . . A 56 LEU CD2 . 17784 1 657 . 1 1 56 56 LEU N N 15 122.670 0.3 . 1 . . . A 56 LEU N . 17784 1 658 . 1 1 57 57 TYR H H 1 8.391 0.020 . 1 . . . A 57 TYR H . 17784 1 659 . 1 1 57 57 TYR HA H 1 4.127 0.020 . 1 . . . A 57 TYR HA . 17784 1 660 . 1 1 57 57 TYR HB2 H 1 2.469 0.020 . 2 . . . A 57 TYR HB2 . 17784 1 661 . 1 1 57 57 TYR HB3 H 1 2.974 0.020 . 2 . . . A 57 TYR HB3 . 17784 1 662 . 1 1 57 57 TYR HD1 H 1 7.085 0.020 . 1 . . . A 57 TYR HD1 . 17784 1 663 . 1 1 57 57 TYR HD2 H 1 7.085 0.020 . 1 . . . A 57 TYR HD2 . 17784 1 664 . 1 1 57 57 TYR HE1 H 1 6.377 0.020 . 1 . . . A 57 TYR HE1 . 17784 1 665 . 1 1 57 57 TYR HE2 H 1 6.377 0.020 . 1 . . . A 57 TYR HE2 . 17784 1 666 . 1 1 57 57 TYR C C 13 178.233 0.3 . 1 . . . A 57 TYR C . 17784 1 667 . 1 1 57 57 TYR CA C 13 62.229 0.3 . 1 . . . A 57 TYR CA . 17784 1 668 . 1 1 57 57 TYR CB C 13 38.330 0.3 . 1 . . . A 57 TYR CB . 17784 1 669 . 1 1 57 57 TYR CD1 C 13 133.136 0.3 . 1 . . . A 57 TYR CD1 . 17784 1 670 . 1 1 57 57 TYR CE1 C 13 117.772 0.3 . 1 . . . A 57 TYR CE1 . 17784 1 671 . 1 1 57 57 TYR N N 15 118.074 0.3 . 1 . . . A 57 TYR N . 17784 1 672 . 1 1 58 58 ARG H H 1 8.720 0.020 . 1 . . . A 58 ARG H . 17784 1 673 . 1 1 58 58 ARG HA H 1 3.888 0.020 . 1 . . . A 58 ARG HA . 17784 1 674 . 1 1 58 58 ARG HB2 H 1 2.168 0.020 . 2 . . . A 58 ARG HB2 . 17784 1 675 . 1 1 58 58 ARG HB3 H 1 1.851 0.020 . 2 . . . A 58 ARG HB3 . 17784 1 676 . 1 1 58 58 ARG HG2 H 1 1.377 0.020 . 2 . . . A 58 ARG HG2 . 17784 1 677 . 1 1 58 58 ARG HG3 H 1 1.732 0.020 . 2 . . . A 58 ARG HG3 . 17784 1 678 . 1 1 58 58 ARG HD2 H 1 2.479 0.020 . 2 . . . A 58 ARG HD2 . 17784 1 679 . 1 1 58 58 ARG HD3 H 1 2.897 0.020 . 2 . . . A 58 ARG HD3 . 17784 1 680 . 1 1 58 58 ARG C C 13 178.748 0.3 . 1 . . . A 58 ARG C . 17784 1 681 . 1 1 58 58 ARG CA C 13 58.620 0.3 . 1 . . . A 58 ARG CA . 17784 1 682 . 1 1 58 58 ARG CB C 13 29.564 0.3 . 1 . . . A 58 ARG CB . 17784 1 683 . 1 1 58 58 ARG CG C 13 26.119 0.3 . 1 . . . A 58 ARG CG . 17784 1 684 . 1 1 58 58 ARG CD C 13 42.896 0.3 . 1 . . . A 58 ARG CD . 17784 1 685 . 1 1 58 58 ARG N N 15 122.671 0.3 . 1 . . . A 58 ARG N . 17784 1 686 . 1 1 59 59 MET H H 1 8.136 0.020 . 1 . . . A 59 MET H . 17784 1 687 . 1 1 59 59 MET HA H 1 4.368 0.020 . 1 . . . A 59 MET HA . 17784 1 688 . 1 1 59 59 MET HB2 H 1 2.134 0.020 . 2 . . . A 59 MET HB2 . 17784 1 689 . 1 1 59 59 MET HB3 H 1 2.291 0.020 . 2 . . . A 59 MET HB3 . 17784 1 690 . 1 1 59 59 MET HG2 H 1 2.663 0.020 . 2 . . . A 59 MET HG2 . 17784 1 691 . 1 1 59 59 MET HG3 H 1 2.714 0.020 . 2 . . . A 59 MET HG3 . 17784 1 692 . 1 1 59 59 MET HE1 H 1 2.023 0.020 . 1 . . . A 59 MET HE1 . 17784 1 693 . 1 1 59 59 MET HE2 H 1 2.023 0.020 . 1 . . . A 59 MET HE2 . 17784 1 694 . 1 1 59 59 MET HE3 H 1 2.023 0.020 . 1 . . . A 59 MET HE3 . 17784 1 695 . 1 1 59 59 MET C C 13 178.847 0.3 . 1 . . . A 59 MET C . 17784 1 696 . 1 1 59 59 MET CA C 13 57.633 0.3 . 1 . . . A 59 MET CA . 17784 1 697 . 1 1 59 59 MET CB C 13 31.313 0.3 . 1 . . . A 59 MET CB . 17784 1 698 . 1 1 59 59 MET CG C 13 32.244 0.3 . 1 . . . A 59 MET CG . 17784 1 699 . 1 1 59 59 MET CE C 13 16.357 0.3 . 1 . . . A 59 MET CE . 17784 1 700 . 1 1 59 59 MET N N 15 119.386 0.3 . 1 . . . A 59 MET N . 17784 1 701 . 1 1 60 60 PHE H H 1 8.179 0.020 . 1 . . . A 60 PHE H . 17784 1 702 . 1 1 60 60 PHE HA H 1 4.126 0.020 . 1 . . . A 60 PHE HA . 17784 1 703 . 1 1 60 60 PHE HB2 H 1 3.012 0.020 . 2 . . . A 60 PHE HB2 . 17784 1 704 . 1 1 60 60 PHE HB3 H 1 3.413 0.020 . 2 . . . A 60 PHE HB3 . 17784 1 705 . 1 1 60 60 PHE HD1 H 1 7.107 0.020 . 1 . . . A 60 PHE HD1 . 17784 1 706 . 1 1 60 60 PHE HD2 H 1 7.107 0.020 . 1 . . . A 60 PHE HD2 . 17784 1 707 . 1 1 60 60 PHE HE1 H 1 6.907 0.020 . 1 . . . A 60 PHE HE1 . 17784 1 708 . 1 1 60 60 PHE HE2 H 1 6.907 0.020 . 1 . . . A 60 PHE HE2 . 17784 1 709 . 1 1 60 60 PHE HZ H 1 6.648 0.020 . 1 . . . A 60 PHE HZ . 17784 1 710 . 1 1 60 60 PHE C C 13 176.922 0.3 . 1 . . . A 60 PHE C . 17784 1 711 . 1 1 60 60 PHE CA C 13 60.675 0.3 . 1 . . . A 60 PHE CA . 17784 1 712 . 1 1 60 60 PHE CB C 13 39.762 0.3 . 1 . . . A 60 PHE CB . 17784 1 713 . 1 1 60 60 PHE CD2 C 13 131.812 0.3 . 1 . . . A 60 PHE CD2 . 17784 1 714 . 1 1 60 60 PHE CE2 C 13 130.966 0.3 . 1 . . . A 60 PHE CE2 . 17784 1 715 . 1 1 60 60 PHE N N 15 121.169 0.3 . 1 . . . A 60 PHE N . 17784 1 716 . 1 1 61 61 GLN H H 1 8.786 0.020 . 1 . . . A 61 GLN H . 17784 1 717 . 1 1 61 61 GLN HA H 1 4.035 0.020 . 1 . . . A 61 GLN HA . 17784 1 718 . 1 1 61 61 GLN HB2 H 1 2.540 0.020 . 2 . . . A 61 GLN HB2 . 17784 1 719 . 1 1 61 61 GLN HB3 H 1 2.329 0.020 . 2 . . . A 61 GLN HB3 . 17784 1 720 . 1 1 61 61 GLN HG2 H 1 2.509 0.020 . 2 . . . A 61 GLN HG2 . 17784 1 721 . 1 1 61 61 GLN HG3 H 1 2.750 0.020 . 2 . . . A 61 GLN HG3 . 17784 1 722 . 1 1 61 61 GLN HE21 H 1 6.863 0.020 . 1 . . . A 61 GLN HE21 . 17784 1 723 . 1 1 61 61 GLN HE22 H 1 6.969 0.020 . 1 . . . A 61 GLN HE22 . 17784 1 724 . 1 1 61 61 GLN C C 13 178.983 0.3 . 1 . . . A 61 GLN C . 17784 1 725 . 1 1 61 61 GLN CA C 13 58.655 0.3 . 1 . . . A 61 GLN CA . 17784 1 726 . 1 1 61 61 GLN CB C 13 29.423 0.3 . 1 . . . A 61 GLN CB . 17784 1 727 . 1 1 61 61 GLN CG C 13 35.532 0.3 . 1 . . . A 61 GLN CG . 17784 1 728 . 1 1 61 61 GLN N N 15 119.284 0.3 . 1 . . . A 61 GLN N . 17784 1 729 . 1 1 61 61 GLN NE2 N 15 106.854 0.3 . 1 . . . A 61 GLN NE2 . 17784 1 730 . 1 1 62 62 GLY H H 1 7.882 0.020 . 1 . . . A 62 GLY H . 17784 1 731 . 1 1 62 62 GLY HA2 H 1 3.920 0.020 . 2 . . . A 62 GLY HA2 . 17784 1 732 . 1 1 62 62 GLY HA3 H 1 3.994 0.020 . 2 . . . A 62 GLY HA3 . 17784 1 733 . 1 1 62 62 GLY CA C 13 47.233 0.3 . 1 . . . A 62 GLY CA . 17784 1 734 . 1 1 62 62 GLY N N 15 105.192 0.3 . 1 . . . A 62 GLY N . 17784 1 735 . 1 1 63 63 ILE H H 1 7.531 0.020 . 1 . . . A 63 ILE H . 17784 1 736 . 1 1 63 63 ILE HA H 1 3.746 0.020 . 1 . . . A 63 ILE HA . 17784 1 737 . 1 1 63 63 ILE HB H 1 2.044 0.020 . 1 . . . A 63 ILE HB . 17784 1 738 . 1 1 63 63 ILE HG12 H 1 0.740 0.020 . 2 . . . A 63 ILE HG12 . 17784 1 739 . 1 1 63 63 ILE HG13 H 1 1.467 0.020 . 2 . . . A 63 ILE HG13 . 17784 1 740 . 1 1 63 63 ILE HG21 H 1 0.851 0.020 . 1 . . . A 63 ILE HG21 . 17784 1 741 . 1 1 63 63 ILE HG22 H 1 0.851 0.020 . 1 . . . A 63 ILE HG22 . 17784 1 742 . 1 1 63 63 ILE HG23 H 1 0.851 0.020 . 1 . . . A 63 ILE HG23 . 17784 1 743 . 1 1 63 63 ILE HD11 H 1 0.738 0.020 . 1 . . . A 63 ILE HD11 . 17784 1 744 . 1 1 63 63 ILE HD12 H 1 0.738 0.020 . 1 . . . A 63 ILE HD12 . 17784 1 745 . 1 1 63 63 ILE HD13 H 1 0.738 0.020 . 1 . . . A 63 ILE HD13 . 17784 1 746 . 1 1 63 63 ILE C C 13 178.549 0.3 . 1 . . . A 63 ILE C . 17784 1 747 . 1 1 63 63 ILE CA C 13 62.724 0.3 . 1 . . . A 63 ILE CA . 17784 1 748 . 1 1 63 63 ILE CB C 13 36.600 0.3 . 1 . . . A 63 ILE CB . 17784 1 749 . 1 1 63 63 ILE CG1 C 13 28.637 0.3 . 1 . . . A 63 ILE CG1 . 17784 1 750 . 1 1 63 63 ILE CG2 C 13 17.513 0.3 . 1 . . . A 63 ILE CG2 . 17784 1 751 . 1 1 63 63 ILE CD1 C 13 11.251 0.3 . 1 . . . A 63 ILE CD1 . 17784 1 752 . 1 1 63 63 ILE N N 15 124.898 0.3 . 1 . . . A 63 ILE N . 17784 1 753 . 1 1 64 64 TRP H H 1 8.719 0.020 . 1 . . . A 64 TRP H . 17784 1 754 . 1 1 64 64 TRP HA H 1 3.448 0.020 . 1 . . . A 64 TRP HA . 17784 1 755 . 1 1 64 64 TRP HB2 H 1 2.207 0.020 . 2 . . . A 64 TRP HB2 . 17784 1 756 . 1 1 64 64 TRP HB3 H 1 2.871 0.020 . 2 . . . A 64 TRP HB3 . 17784 1 757 . 1 1 64 64 TRP HD1 H 1 6.651 0.020 . 1 . . . A 64 TRP HD1 . 17784 1 758 . 1 1 64 64 TRP HE1 H 1 9.800 0.020 . 1 . . . A 64 TRP HE1 . 17784 1 759 . 1 1 64 64 TRP HE3 H 1 7.119 0.020 . 1 . . . A 64 TRP HE3 . 17784 1 760 . 1 1 64 64 TRP HZ2 H 1 7.243 0.020 . 1 . . . A 64 TRP HZ2 . 17784 1 761 . 1 1 64 64 TRP HZ3 H 1 6.752 0.020 . 1 . . . A 64 TRP HZ3 . 17784 1 762 . 1 1 64 64 TRP HH2 H 1 6.925 0.020 . 1 . . . A 64 TRP HH2 . 17784 1 763 . 1 1 64 64 TRP C C 13 178.053 0.3 . 1 . . . A 64 TRP C . 17784 1 764 . 1 1 64 64 TRP CA C 13 60.765 0.3 . 1 . . . A 64 TRP CA . 17784 1 765 . 1 1 64 64 TRP CB C 13 28.512 0.3 . 1 . . . A 64 TRP CB . 17784 1 766 . 1 1 64 64 TRP CD1 C 13 127.357 0.3 . 1 . . . A 64 TRP CD1 . 17784 1 767 . 1 1 64 64 TRP CE3 C 13 119.833 0.3 . 1 . . . A 64 TRP CE3 . 17784 1 768 . 1 1 64 64 TRP CZ2 C 13 113.851 0.3 . 1 . . . A 64 TRP CZ2 . 17784 1 769 . 1 1 64 64 TRP CZ3 C 13 121.720 0.3 . 1 . . . A 64 TRP CZ3 . 17784 1 770 . 1 1 64 64 TRP CH2 C 13 123.721 0.3 . 1 . . . A 64 TRP CH2 . 17784 1 771 . 1 1 64 64 TRP N N 15 122.035 0.3 . 1 . . . A 64 TRP N . 17784 1 772 . 1 1 64 64 TRP NE1 N 15 128.051 0.3 . 1 . . . A 64 TRP NE1 . 17784 1 773 . 1 1 65 65 ALA H H 1 8.518 0.020 . 1 . . . A 65 ALA H . 17784 1 774 . 1 1 65 65 ALA HA H 1 3.586 0.020 . 1 . . . A 65 ALA HA . 17784 1 775 . 1 1 65 65 ALA HB1 H 1 1.471 0.020 . 1 . . . A 65 ALA HB1 . 17784 1 776 . 1 1 65 65 ALA HB2 H 1 1.471 0.020 . 1 . . . A 65 ALA HB2 . 17784 1 777 . 1 1 65 65 ALA HB3 H 1 1.471 0.020 . 1 . . . A 65 ALA HB3 . 17784 1 778 . 1 1 65 65 ALA C C 13 180.275 0.3 . 1 . . . A 65 ALA C . 17784 1 779 . 1 1 65 65 ALA CA C 13 54.704 0.3 . 1 . . . A 65 ALA CA . 17784 1 780 . 1 1 65 65 ALA CB C 13 18.102 0.3 . 1 . . . A 65 ALA CB . 17784 1 781 . 1 1 65 65 ALA N N 15 119.840 0.3 . 1 . . . A 65 ALA N . 17784 1 782 . 1 1 66 66 SER H H 1 7.435 0.020 . 1 . . . A 66 SER H . 17784 1 783 . 1 1 66 66 SER HA H 1 4.156 0.020 . 1 . . . A 66 SER HA . 17784 1 784 . 1 1 66 66 SER HB2 H 1 3.851 0.020 . 2 . . . A 66 SER HB2 . 17784 1 785 . 1 1 66 66 SER HB3 H 1 3.889 0.020 . 2 . . . A 66 SER HB3 . 17784 1 786 . 1 1 66 66 SER C C 13 175.194 0.3 . 1 . . . A 66 SER C . 17784 1 787 . 1 1 66 66 SER CA C 13 60.077 0.3 . 1 . . . A 66 SER CA . 17784 1 788 . 1 1 66 66 SER CB C 13 63.332 0.3 . 1 . . . A 66 SER CB . 17784 1 789 . 1 1 66 66 SER N N 15 111.793 0.3 . 1 . . . A 66 SER N . 17784 1 790 . 1 1 67 67 ALA H H 1 7.367 0.020 . 1 . . . A 67 ALA H . 17784 1 791 . 1 1 67 67 ALA HA H 1 4.158 0.020 . 1 . . . A 67 ALA HA . 17784 1 792 . 1 1 67 67 ALA HB1 H 1 1.194 0.020 . 1 . . . A 67 ALA HB1 . 17784 1 793 . 1 1 67 67 ALA HB2 H 1 1.194 0.020 . 1 . . . A 67 ALA HB2 . 17784 1 794 . 1 1 67 67 ALA HB3 H 1 1.194 0.020 . 1 . . . A 67 ALA HB3 . 17784 1 795 . 1 1 67 67 ALA C C 13 177.940 0.3 . 1 . . . A 67 ALA C . 17784 1 796 . 1 1 67 67 ALA CA C 13 53.136 0.3 . 1 . . . A 67 ALA CA . 17784 1 797 . 1 1 67 67 ALA CB C 13 19.077 0.3 . 1 . . . A 67 ALA CB . 17784 1 798 . 1 1 67 67 ALA N N 15 123.331 0.3 . 1 . . . A 67 ALA N . 17784 1 799 . 1 1 68 68 ASN H H 1 7.561 0.020 . 1 . . . A 68 ASN H . 17784 1 800 . 1 1 68 68 ASN HA H 1 4.393 0.020 . 1 . . . A 68 ASN HA . 17784 1 801 . 1 1 68 68 ASN HB2 H 1 1.929 0.020 . 2 . . . A 68 ASN HB2 . 17784 1 802 . 1 1 68 68 ASN HB3 H 1 2.367 0.020 . 2 . . . A 68 ASN HB3 . 17784 1 803 . 1 1 68 68 ASN HD21 H 1 5.854 0.020 . 1 . . . A 68 ASN HD21 . 17784 1 804 . 1 1 68 68 ASN HD22 H 1 6.833 0.020 . 1 . . . A 68 ASN HD22 . 17784 1 805 . 1 1 68 68 ASN C C 13 175.253 0.3 . 1 . . . A 68 ASN C . 17784 1 806 . 1 1 68 68 ASN CA C 13 53.533 0.3 . 1 . . . A 68 ASN CA . 17784 1 807 . 1 1 68 68 ASN CB C 13 38.521 0.3 . 1 . . . A 68 ASN CB . 17784 1 808 . 1 1 68 68 ASN N N 15 116.184 0.3 . 1 . . . A 68 ASN N . 17784 1 809 . 1 1 68 68 ASN ND2 N 15 112.132 0.3 . 1 . . . A 68 ASN ND2 . 17784 1 810 . 1 1 69 69 ALA H H 1 7.717 0.020 . 1 . . . A 69 ALA H . 17784 1 811 . 1 1 69 69 ALA HA H 1 4.110 0.020 . 1 . . . A 69 ALA HA . 17784 1 812 . 1 1 69 69 ALA HB1 H 1 1.217 0.020 . 1 . . . A 69 ALA HB1 . 17784 1 813 . 1 1 69 69 ALA HB2 H 1 1.217 0.020 . 1 . . . A 69 ALA HB2 . 17784 1 814 . 1 1 69 69 ALA HB3 H 1 1.217 0.020 . 1 . . . A 69 ALA HB3 . 17784 1 815 . 1 1 69 69 ALA C C 13 177.945 0.3 . 1 . . . A 69 ALA C . 17784 1 816 . 1 1 69 69 ALA CA C 13 53.558 0.3 . 1 . . . A 69 ALA CA . 17784 1 817 . 1 1 69 69 ALA CB C 13 18.899 0.3 . 1 . . . A 69 ALA CB . 17784 1 818 . 1 1 69 69 ALA N N 15 123.512 0.3 . 1 . . . A 69 ALA N . 17784 1 819 . 1 1 70 70 ASP H H 1 8.083 0.020 . 1 . . . A 70 ASP H . 17784 1 820 . 1 1 70 70 ASP HA H 1 4.594 0.020 . 1 . . . A 70 ASP HA . 17784 1 821 . 1 1 70 70 ASP HB2 H 1 2.577 0.020 . 2 . . . A 70 ASP HB2 . 17784 1 822 . 1 1 70 70 ASP HB3 H 1 2.698 0.020 . 2 . . . A 70 ASP HB3 . 17784 1 823 . 1 1 70 70 ASP C C 13 176.717 0.3 . 1 . . . A 70 ASP C . 17784 1 824 . 1 1 70 70 ASP CA C 13 54.541 0.3 . 1 . . . A 70 ASP CA . 17784 1 825 . 1 1 70 70 ASP CB C 13 41.151 0.3 . 1 . . . A 70 ASP CB . 17784 1 826 . 1 1 70 70 ASP N N 15 118.059 0.3 . 1 . . . A 70 ASP N . 17784 1 827 . 1 1 71 71 GLY H H 1 7.943 0.020 . 1 . . . A 71 GLY H . 17784 1 828 . 1 1 71 71 GLY HA2 H 1 3.879 0.020 . 2 . . . A 71 GLY HA2 . 17784 1 829 . 1 1 71 71 GLY HA3 H 1 3.974 0.020 . 2 . . . A 71 GLY HA3 . 17784 1 830 . 1 1 71 71 GLY C C 13 174.205 0.3 . 1 . . . A 71 GLY C . 17784 1 831 . 1 1 71 71 GLY CA C 13 45.419 0.3 . 1 . . . A 71 GLY CA . 17784 1 832 . 1 1 71 71 GLY N N 15 108.461 0.3 . 1 . . . A 71 GLY N . 17784 1 833 . 1 1 72 72 GLU H H 1 8.131 0.020 . 1 . . . A 72 GLU H . 17784 1 834 . 1 1 72 72 GLU HA H 1 4.296 0.020 . 1 . . . A 72 GLU HA . 17784 1 835 . 1 1 72 72 GLU HB2 H 1 2.046 0.020 . 2 . . . A 72 GLU HB2 . 17784 1 836 . 1 1 72 72 GLU HB3 H 1 1.915 0.020 . 2 . . . A 72 GLU HB3 . 17784 1 837 . 1 1 72 72 GLU HG2 H 1 2.211 0.020 . 2 . . . A 72 GLU HG2 . 17784 1 838 . 1 1 72 72 GLU HG3 H 1 2.257 0.020 . 2 . . . A 72 GLU HG3 . 17784 1 839 . 1 1 72 72 GLU C C 13 176.563 0.3 . 1 . . . A 72 GLU C . 17784 1 840 . 1 1 72 72 GLU CA C 13 56.432 0.3 . 1 . . . A 72 GLU CA . 17784 1 841 . 1 1 72 72 GLU CB C 13 30.443 0.3 . 1 . . . A 72 GLU CB . 17784 1 842 . 1 1 72 72 GLU CG C 13 36.259 0.3 . 1 . . . A 72 GLU CG . 17784 1 843 . 1 1 72 72 GLU N N 15 120.519 0.3 . 1 . . . A 72 GLU N . 17784 1 844 . 1 1 73 73 ALA H H 1 8.251 0.020 . 1 . . . A 73 ALA H . 17784 1 845 . 1 1 73 73 ALA HA H 1 4.297 0.020 . 1 . . . A 73 ALA HA . 17784 1 846 . 1 1 73 73 ALA HB1 H 1 1.336 0.020 . 1 . . . A 73 ALA HB1 . 17784 1 847 . 1 1 73 73 ALA HB2 H 1 1.336 0.020 . 1 . . . A 73 ALA HB2 . 17784 1 848 . 1 1 73 73 ALA HB3 H 1 1.336 0.020 . 1 . . . A 73 ALA HB3 . 17784 1 849 . 1 1 73 73 ALA C C 13 177.768 0.3 . 1 . . . A 73 ALA C . 17784 1 850 . 1 1 73 73 ALA CA C 13 52.609 0.3 . 1 . . . A 73 ALA CA . 17784 1 851 . 1 1 73 73 ALA CB C 13 19.015 0.3 . 1 . . . A 73 ALA CB . 17784 1 852 . 1 1 73 73 ALA N N 15 125.291 0.3 . 1 . . . A 73 ALA N . 17784 1 853 . 1 1 74 74 GLN H H 1 8.353 0.020 . 1 . . . A 74 GLN H . 17784 1 854 . 1 1 74 74 GLN HA H 1 4.409 0.020 . 1 . . . A 74 GLN HA . 17784 1 855 . 1 1 74 74 GLN HB2 H 1 2.135 0.020 . 2 . . . A 74 GLN HB2 . 17784 1 856 . 1 1 74 74 GLN HB3 H 1 1.984 0.020 . 2 . . . A 74 GLN HB3 . 17784 1 857 . 1 1 74 74 GLN HG2 H 1 2.370 0.020 . 1 . . . A 74 GLN HG2 . 17784 1 858 . 1 1 74 74 GLN HG3 H 1 2.370 0.020 . 1 . . . A 74 GLN HG3 . 17784 1 859 . 1 1 74 74 GLN HE21 H 1 6.825 0.020 . 1 . . . A 74 GLN HE21 . 17784 1 860 . 1 1 74 74 GLN HE22 H 1 7.526 0.020 . 1 . . . A 74 GLN HE22 . 17784 1 861 . 1 1 74 74 GLN C C 13 176.325 0.3 . 1 . . . A 74 GLN C . 17784 1 862 . 1 1 74 74 GLN CA C 13 55.800 0.3 . 1 . . . A 74 GLN CA . 17784 1 863 . 1 1 74 74 GLN CB C 13 29.411 0.3 . 1 . . . A 74 GLN CB . 17784 1 864 . 1 1 74 74 GLN CG C 13 33.809 0.3 . 1 . . . A 74 GLN CG . 17784 1 865 . 1 1 74 74 GLN N N 15 119.622 0.3 . 1 . . . A 74 GLN N . 17784 1 866 . 1 1 74 74 GLN NE2 N 15 112.188 0.3 . 1 . . . A 74 GLN NE2 . 17784 1 867 . 1 1 75 75 THR H H 1 8.203 0.020 . 1 . . . A 75 THR H . 17784 1 868 . 1 1 75 75 THR HA H 1 4.411 0.020 . 1 . . . A 75 THR HA . 17784 1 869 . 1 1 75 75 THR HB H 1 4.243 0.020 . 1 . . . A 75 THR HB . 17784 1 870 . 1 1 75 75 THR HG21 H 1 1.199 0.020 . 1 . . . A 75 THR HG21 . 17784 1 871 . 1 1 75 75 THR HG22 H 1 1.199 0.020 . 1 . . . A 75 THR HG22 . 17784 1 872 . 1 1 75 75 THR HG23 H 1 1.199 0.020 . 1 . . . A 75 THR HG23 . 17784 1 873 . 1 1 75 75 THR C C 13 174.499 0.3 . 1 . . . A 75 THR C . 17784 1 874 . 1 1 75 75 THR CA C 13 61.662 0.3 . 1 . . . A 75 THR CA . 17784 1 875 . 1 1 75 75 THR CB C 13 69.929 0.3 . 1 . . . A 75 THR CB . 17784 1 876 . 1 1 75 75 THR CG2 C 13 21.564 0.3 . 1 . . . A 75 THR CG2 . 17784 1 877 . 1 1 75 75 THR N N 15 115.042 0.3 . 1 . . . A 75 THR N . 17784 1 878 . 1 1 76 76 SER H H 1 8.351 0.020 . 1 . . . A 76 SER H . 17784 1 879 . 1 1 76 76 SER HA H 1 4.471 0.020 . 1 . . . A 76 SER HA . 17784 1 880 . 1 1 76 76 SER HB2 H 1 3.884 0.020 . 2 . . . A 76 SER HB2 . 17784 1 881 . 1 1 76 76 SER HB3 H 1 3.836 0.020 . 2 . . . A 76 SER HB3 . 17784 1 882 . 1 1 76 76 SER C C 13 174.494 0.3 . 1 . . . A 76 SER C . 17784 1 883 . 1 1 76 76 SER CA C 13 58.361 0.3 . 1 . . . A 76 SER CA . 17784 1 884 . 1 1 76 76 SER CB C 13 63.915 0.3 . 1 . . . A 76 SER CB . 17784 1 885 . 1 1 76 76 SER N N 15 117.951 0.3 . 1 . . . A 76 SER N . 17784 1 886 . 1 1 77 77 GLN H H 1 8.451 0.020 . 1 . . . A 77 GLN H . 17784 1 887 . 1 1 77 77 GLN HA H 1 4.405 0.020 . 1 . . . A 77 GLN HA . 17784 1 888 . 1 1 77 77 GLN HB2 H 1 2.139 0.020 . 2 . . . A 77 GLN HB2 . 17784 1 889 . 1 1 77 77 GLN HB3 H 1 1.978 0.020 . 2 . . . A 77 GLN HB3 . 17784 1 890 . 1 1 77 77 GLN HG2 H 1 2.372 0.020 . 1 . . . A 77 GLN HG2 . 17784 1 891 . 1 1 77 77 GLN HG3 H 1 2.372 0.020 . 1 . . . A 77 GLN HG3 . 17784 1 892 . 1 1 77 77 GLN HE21 H 1 6.831 0.020 . 1 . . . A 77 GLN HE21 . 17784 1 893 . 1 1 77 77 GLN HE22 H 1 7.475 0.020 . 1 . . . A 77 GLN HE22 . 17784 1 894 . 1 1 77 77 GLN C C 13 175.964 0.3 . 1 . . . A 77 GLN C . 17784 1 895 . 1 1 77 77 GLN CA C 13 55.818 0.3 . 1 . . . A 77 GLN CA . 17784 1 896 . 1 1 77 77 GLN CB C 13 29.414 0.3 . 1 . . . A 77 GLN CB . 17784 1 897 . 1 1 77 77 GLN CG C 13 33.834 0.3 . 1 . . . A 77 GLN CG . 17784 1 898 . 1 1 77 77 GLN N N 15 122.561 0.3 . 1 . . . A 77 GLN N . 17784 1 899 . 1 1 77 77 GLN NE2 N 15 112.414 0.3 . 1 . . . A 77 GLN NE2 . 17784 1 900 . 1 1 78 78 SER H H 1 8.362 0.020 . 1 . . . A 78 SER H . 17784 1 901 . 1 1 78 78 SER HA H 1 4.471 0.020 . 1 . . . A 78 SER HA . 17784 1 902 . 1 1 78 78 SER HB2 H 1 3.862 0.020 . 2 . . . A 78 SER HB2 . 17784 1 903 . 1 1 78 78 SER HB3 H 1 3.830 0.020 . 2 . . . A 78 SER HB3 . 17784 1 904 . 1 1 78 78 SER C C 13 174.388 0.3 . 1 . . . A 78 SER C . 17784 1 905 . 1 1 78 78 SER CA C 13 58.309 0.3 . 1 . . . A 78 SER CA . 17784 1 906 . 1 1 78 78 SER CB C 13 64.014 0.3 . 1 . . . A 78 SER CB . 17784 1 907 . 1 1 78 78 SER N N 15 116.941 0.3 . 1 . . . A 78 SER N . 17784 1 908 . 1 1 79 79 ASP H H 1 8.372 0.020 . 1 . . . A 79 ASP H . 17784 1 909 . 1 1 79 79 ASP HA H 1 4.632 0.020 . 1 . . . A 79 ASP HA . 17784 1 910 . 1 1 79 79 ASP HB2 H 1 2.688 0.020 . 1 . . . A 79 ASP HB2 . 17784 1 911 . 1 1 79 79 ASP HB3 H 1 2.688 0.020 . 1 . . . A 79 ASP HB3 . 17784 1 912 . 1 1 79 79 ASP C C 13 176.035 0.3 . 1 . . . A 79 ASP C . 17784 1 913 . 1 1 79 79 ASP CA C 13 54.279 0.3 . 1 . . . A 79 ASP CA . 17784 1 914 . 1 1 79 79 ASP CB C 13 41.061 0.3 . 1 . . . A 79 ASP CB . 17784 1 915 . 1 1 79 79 ASP N N 15 122.491 0.3 . 1 . . . A 79 ASP N . 17784 1 916 . 1 1 80 80 ALA H H 1 8.141 0.020 . 1 . . . A 80 ALA H . 17784 1 917 . 1 1 80 80 ALA HA H 1 4.299 0.020 . 1 . . . A 80 ALA HA . 17784 1 918 . 1 1 80 80 ALA HB1 H 1 1.319 0.020 . 1 . . . A 80 ALA HB1 . 17784 1 919 . 1 1 80 80 ALA HB2 H 1 1.319 0.020 . 1 . . . A 80 ALA HB2 . 17784 1 920 . 1 1 80 80 ALA HB3 H 1 1.319 0.020 . 1 . . . A 80 ALA HB3 . 17784 1 921 . 1 1 80 80 ALA C C 13 177.238 0.3 . 1 . . . A 80 ALA C . 17784 1 922 . 1 1 80 80 ALA CA C 13 52.541 0.3 . 1 . . . A 80 ALA CA . 17784 1 923 . 1 1 80 80 ALA CB C 13 19.484 0.3 . 1 . . . A 80 ALA CB . 17784 1 924 . 1 1 80 80 ALA N N 15 123.649 0.3 . 1 . . . A 80 ALA N . 17784 1 925 . 1 1 81 81 GLU H H 1 8.313 0.020 . 1 . . . A 81 GLU H . 17784 1 926 . 1 1 81 81 GLU HA H 1 4.383 0.020 . 1 . . . A 81 GLU HA . 17784 1 927 . 1 1 81 81 GLU HB2 H 1 1.944 0.020 . 2 . . . A 81 GLU HB2 . 17784 1 928 . 1 1 81 81 GLU HB3 H 1 2.069 0.020 . 2 . . . A 81 GLU HB3 . 17784 1 929 . 1 1 81 81 GLU HG2 H 1 2.248 0.020 . 1 . . . A 81 GLU HG2 . 17784 1 930 . 1 1 81 81 GLU HG3 H 1 2.248 0.020 . 1 . . . A 81 GLU HG3 . 17784 1 931 . 1 1 81 81 GLU C C 13 176.912 0.3 . 1 . . . A 81 GLU C . 17784 1 932 . 1 1 81 81 GLU CA C 13 56.000 0.3 . 1 . . . A 81 GLU CA . 17784 1 933 . 1 1 81 81 GLU CB C 13 31.218 0.3 . 1 . . . A 81 GLU CB . 17784 1 934 . 1 1 81 81 GLU CG C 13 36.348 0.3 . 1 . . . A 81 GLU CG . 17784 1 935 . 1 1 81 81 GLU N N 15 119.246 0.3 . 1 . . . A 81 GLU N . 17784 1 936 . 1 1 82 82 GLY H H 1 8.424 0.020 . 1 . . . A 82 GLY H . 17784 1 937 . 1 1 82 82 GLY HA2 H 1 3.933 0.020 . 2 . . . A 82 GLY HA2 . 17784 1 938 . 1 1 82 82 GLY HA3 H 1 4.124 0.020 . 2 . . . A 82 GLY HA3 . 17784 1 939 . 1 1 82 82 GLY C C 13 175.179 0.3 . 1 . . . A 82 GLY C . 17784 1 940 . 1 1 82 82 GLY CA C 13 45.641 0.3 . 1 . . . A 82 GLY CA . 17784 1 941 . 1 1 82 82 GLY N N 15 109.355 0.3 . 1 . . . A 82 GLY N . 17784 1 942 . 1 1 83 83 THR H H 1 8.272 0.020 . 1 . . . A 83 THR H . 17784 1 943 . 1 1 83 83 THR HA H 1 4.066 0.020 . 1 . . . A 83 THR HA . 17784 1 944 . 1 1 83 83 THR HB H 1 4.205 0.020 . 1 . . . A 83 THR HB . 17784 1 945 . 1 1 83 83 THR HG21 H 1 1.215 0.020 . 1 . . . A 83 THR HG21 . 17784 1 946 . 1 1 83 83 THR HG22 H 1 1.215 0.020 . 1 . . . A 83 THR HG22 . 17784 1 947 . 1 1 83 83 THR HG23 H 1 1.215 0.020 . 1 . . . A 83 THR HG23 . 17784 1 948 . 1 1 83 83 THR C C 13 176.124 0.3 . 1 . . . A 83 THR C . 17784 1 949 . 1 1 83 83 THR CA C 13 63.998 0.3 . 1 . . . A 83 THR CA . 17784 1 950 . 1 1 83 83 THR CB C 13 69.002 0.3 . 1 . . . A 83 THR CB . 17784 1 951 . 1 1 83 83 THR CG2 C 13 22.130 0.3 . 1 . . . A 83 THR CG2 . 17784 1 952 . 1 1 83 83 THR N N 15 114.452 0.3 . 1 . . . A 83 THR N . 17784 1 953 . 1 1 84 84 GLU H H 1 8.680 0.020 . 1 . . . A 84 GLU H . 17784 1 954 . 1 1 84 84 GLU HA H 1 3.920 0.020 . 1 . . . A 84 GLU HA . 17784 1 955 . 1 1 84 84 GLU HB2 H 1 1.962 0.020 . 2 . . . A 84 GLU HB2 . 17784 1 956 . 1 1 84 84 GLU HB3 H 1 1.984 0.020 . 2 . . . A 84 GLU HB3 . 17784 1 957 . 1 1 84 84 GLU HG2 H 1 2.199 0.020 . 1 . . . A 84 GLU HG2 . 17784 1 958 . 1 1 84 84 GLU HG3 H 1 2.199 0.020 . 1 . . . A 84 GLU HG3 . 17784 1 959 . 1 1 84 84 GLU C C 13 177.003 0.3 . 1 . . . A 84 GLU C . 17784 1 960 . 1 1 84 84 GLU CA C 13 58.507 0.3 . 1 . . . A 84 GLU CA . 17784 1 961 . 1 1 84 84 GLU CB C 13 28.843 0.3 . 1 . . . A 84 GLU CB . 17784 1 962 . 1 1 84 84 GLU CG C 13 36.110 0.3 . 1 . . . A 84 GLU CG . 17784 1 963 . 1 1 84 84 GLU N N 15 122.854 0.3 . 1 . . . A 84 GLU N . 17784 1 964 . 1 1 85 85 ALA H H 1 7.790 0.020 . 1 . . . A 85 ALA H . 17784 1 965 . 1 1 85 85 ALA HA H 1 3.972 0.020 . 1 . . . A 85 ALA HA . 17784 1 966 . 1 1 85 85 ALA HB1 H 1 1.351 0.020 . 1 . . . A 85 ALA HB1 . 17784 1 967 . 1 1 85 85 ALA HB2 H 1 1.351 0.020 . 1 . . . A 85 ALA HB2 . 17784 1 968 . 1 1 85 85 ALA HB3 H 1 1.351 0.020 . 1 . . . A 85 ALA HB3 . 17784 1 969 . 1 1 85 85 ALA C C 13 179.960 0.3 . 1 . . . A 85 ALA C . 17784 1 970 . 1 1 85 85 ALA CA C 13 54.795 0.3 . 1 . . . A 85 ALA CA . 17784 1 971 . 1 1 85 85 ALA CB C 13 18.426 0.3 . 1 . . . A 85 ALA CB . 17784 1 972 . 1 1 85 85 ALA N N 15 121.628 0.3 . 1 . . . A 85 ALA N . 17784 1 973 . 1 1 86 86 VAL H H 1 7.721 0.020 . 1 . . . A 86 VAL H . 17784 1 974 . 1 1 86 86 VAL HA H 1 3.707 0.020 . 1 . . . A 86 VAL HA . 17784 1 975 . 1 1 86 86 VAL HB H 1 2.035 0.020 . 1 . . . A 86 VAL HB . 17784 1 976 . 1 1 86 86 VAL HG11 H 1 0.957 0.020 . 1 . . . A 86 VAL HG11 . 17784 1 977 . 1 1 86 86 VAL HG12 H 1 0.957 0.020 . 1 . . . A 86 VAL HG12 . 17784 1 978 . 1 1 86 86 VAL HG13 H 1 0.957 0.020 . 1 . . . A 86 VAL HG13 . 17784 1 979 . 1 1 86 86 VAL HG21 H 1 0.875 0.020 . 1 . . . A 86 VAL HG21 . 17784 1 980 . 1 1 86 86 VAL HG22 H 1 0.875 0.020 . 1 . . . A 86 VAL HG22 . 17784 1 981 . 1 1 86 86 VAL HG23 H 1 0.875 0.020 . 1 . . . A 86 VAL HG23 . 17784 1 982 . 1 1 86 86 VAL C C 13 177.659 0.3 . 1 . . . A 86 VAL C . 17784 1 983 . 1 1 86 86 VAL CA C 13 65.410 0.3 . 1 . . . A 86 VAL CA . 17784 1 984 . 1 1 86 86 VAL CB C 13 31.753 0.3 . 1 . . . A 86 VAL CB . 17784 1 985 . 1 1 86 86 VAL CG1 C 13 22.144 0.3 . 1 . . . A 86 VAL CG1 . 17784 1 986 . 1 1 86 86 VAL CG2 C 13 20.971 0.3 . 1 . . . A 86 VAL CG2 . 17784 1 987 . 1 1 86 86 VAL N N 15 118.470 0.3 . 1 . . . A 86 VAL N . 17784 1 988 . 1 1 87 87 ALA H H 1 7.864 0.020 . 1 . . . A 87 ALA H . 17784 1 989 . 1 1 87 87 ALA HA H 1 3.999 0.020 . 1 . . . A 87 ALA HA . 17784 1 990 . 1 1 87 87 ALA HB1 H 1 1.374 0.020 . 1 . . . A 87 ALA HB1 . 17784 1 991 . 1 1 87 87 ALA HB2 H 1 1.374 0.020 . 1 . . . A 87 ALA HB2 . 17784 1 992 . 1 1 87 87 ALA HB3 H 1 1.374 0.020 . 1 . . . A 87 ALA HB3 . 17784 1 993 . 1 1 87 87 ALA C C 13 179.414 0.3 . 1 . . . A 87 ALA C . 17784 1 994 . 1 1 87 87 ALA CA C 13 55.075 0.3 . 1 . . . A 87 ALA CA . 17784 1 995 . 1 1 87 87 ALA CB C 13 18.109 0.3 . 1 . . . A 87 ALA CB . 17784 1 996 . 1 1 87 87 ALA N N 15 122.747 0.3 . 1 . . . A 87 ALA N . 17784 1 997 . 1 1 88 88 ARG H H 1 8.294 0.020 . 1 . . . A 88 ARG H . 17784 1 998 . 1 1 88 88 ARG HA H 1 4.022 0.020 . 1 . . . A 88 ARG HA . 17784 1 999 . 1 1 88 88 ARG HB2 H 1 1.867 0.020 . 2 . . . A 88 ARG HB2 . 17784 1 1000 . 1 1 88 88 ARG HB3 H 1 1.954 0.020 . 2 . . . A 88 ARG HB3 . 17784 1 1001 . 1 1 88 88 ARG HG2 H 1 1.636 0.020 . 2 . . . A 88 ARG HG2 . 17784 1 1002 . 1 1 88 88 ARG HG3 H 1 1.780 0.020 . 2 . . . A 88 ARG HG3 . 17784 1 1003 . 1 1 88 88 ARG HD2 H 1 3.120 0.020 . 2 . . . A 88 ARG HD2 . 17784 1 1004 . 1 1 88 88 ARG HD3 H 1 3.173 0.020 . 2 . . . A 88 ARG HD3 . 17784 1 1005 . 1 1 88 88 ARG C C 13 178.564 0.3 . 1 . . . A 88 ARG C . 17784 1 1006 . 1 1 88 88 ARG CA C 13 58.902 0.3 . 1 . . . A 88 ARG CA . 17784 1 1007 . 1 1 88 88 ARG CB C 13 30.143 0.3 . 1 . . . A 88 ARG CB . 17784 1 1008 . 1 1 88 88 ARG CG C 13 27.332 0.3 . 1 . . . A 88 ARG CG . 17784 1 1009 . 1 1 88 88 ARG CD C 13 43.356 0.3 . 1 . . . A 88 ARG CD . 17784 1 1010 . 1 1 88 88 ARG N N 15 116.481 0.3 . 1 . . . A 88 ARG N . 17784 1 1011 . 1 1 89 89 ALA H H 1 7.863 0.020 . 1 . . . A 89 ALA H . 17784 1 1012 . 1 1 89 89 ALA HA H 1 4.159 0.020 . 1 . . . A 89 ALA HA . 17784 1 1013 . 1 1 89 89 ALA HB1 H 1 1.484 0.020 . 1 . . . A 89 ALA HB1 . 17784 1 1014 . 1 1 89 89 ALA HB2 H 1 1.484 0.020 . 1 . . . A 89 ALA HB2 . 17784 1 1015 . 1 1 89 89 ALA HB3 H 1 1.484 0.020 . 1 . . . A 89 ALA HB3 . 17784 1 1016 . 1 1 89 89 ALA C C 13 179.693 0.3 . 1 . . . A 89 ALA C . 17784 1 1017 . 1 1 89 89 ALA CA C 13 54.490 0.3 . 1 . . . A 89 ALA CA . 17784 1 1018 . 1 1 89 89 ALA CB C 13 18.279 0.3 . 1 . . . A 89 ALA CB . 17784 1 1019 . 1 1 89 89 ALA N N 15 121.255 0.3 . 1 . . . A 89 ALA N . 17784 1 1020 . 1 1 90 90 ARG H H 1 7.869 0.020 . 1 . . . A 90 ARG H . 17784 1 1021 . 1 1 90 90 ARG HA H 1 4.152 0.020 . 1 . . . A 90 ARG HA . 17784 1 1022 . 1 1 90 90 ARG HB2 H 1 1.694 0.020 . 2 . . . A 90 ARG HB2 . 17784 1 1023 . 1 1 90 90 ARG HB3 H 1 1.948 0.020 . 2 . . . A 90 ARG HB3 . 17784 1 1024 . 1 1 90 90 ARG HG2 H 1 1.838 0.020 . 1 . . . A 90 ARG HG2 . 17784 1 1025 . 1 1 90 90 ARG HG3 H 1 1.838 0.020 . 1 . . . A 90 ARG HG3 . 17784 1 1026 . 1 1 90 90 ARG HD2 H 1 3.099 0.020 . 1 . . . A 90 ARG HD2 . 17784 1 1027 . 1 1 90 90 ARG HD3 H 1 3.099 0.020 . 1 . . . A 90 ARG HD3 . 17784 1 1028 . 1 1 90 90 ARG C C 13 178.476 0.3 . 1 . . . A 90 ARG C . 17784 1 1029 . 1 1 90 90 ARG CA C 13 58.249 0.3 . 1 . . . A 90 ARG CA . 17784 1 1030 . 1 1 90 90 ARG CB C 13 29.557 0.3 . 1 . . . A 90 ARG CB . 17784 1 1031 . 1 1 90 90 ARG CG C 13 27.545 0.3 . 1 . . . A 90 ARG CG . 17784 1 1032 . 1 1 90 90 ARG CD C 13 43.508 0.3 . 1 . . . A 90 ARG CD . 17784 1 1033 . 1 1 90 90 ARG N N 15 116.570 0.3 . 1 . . . A 90 ARG N . 17784 1 1034 . 1 1 91 91 LEU H H 1 8.051 0.020 . 1 . . . A 91 LEU H . 17784 1 1035 . 1 1 91 91 LEU HA H 1 4.213 0.020 . 1 . . . A 91 LEU HA . 17784 1 1036 . 1 1 91 91 LEU HB2 H 1 1.448 0.020 . 2 . . . A 91 LEU HB2 . 17784 1 1037 . 1 1 91 91 LEU HB3 H 1 1.932 0.020 . 2 . . . A 91 LEU HB3 . 17784 1 1038 . 1 1 91 91 LEU HG H 1 1.590 0.020 . 1 . . . A 91 LEU HG . 17784 1 1039 . 1 1 91 91 LEU HD11 H 1 0.884 0.020 . 1 . . . A 91 LEU HD11 . 17784 1 1040 . 1 1 91 91 LEU HD12 H 1 0.884 0.020 . 1 . . . A 91 LEU HD12 . 17784 1 1041 . 1 1 91 91 LEU HD13 H 1 0.884 0.020 . 1 . . . A 91 LEU HD13 . 17784 1 1042 . 1 1 91 91 LEU HD21 H 1 0.978 0.020 . 1 . . . A 91 LEU HD21 . 17784 1 1043 . 1 1 91 91 LEU HD22 H 1 0.978 0.020 . 1 . . . A 91 LEU HD22 . 17784 1 1044 . 1 1 91 91 LEU HD23 H 1 0.978 0.020 . 1 . . . A 91 LEU HD23 . 17784 1 1045 . 1 1 91 91 LEU C C 13 179.399 0.3 . 1 . . . A 91 LEU C . 17784 1 1046 . 1 1 91 91 LEU CA C 13 57.384 0.3 . 1 . . . A 91 LEU CA . 17784 1 1047 . 1 1 91 91 LEU CB C 13 42.139 0.3 . 1 . . . A 91 LEU CB . 17784 1 1048 . 1 1 91 91 LEU CG C 13 25.102 0.3 . 1 . . . A 91 LEU CG . 17784 1 1049 . 1 1 91 91 LEU CD1 C 13 23.478 0.3 . 1 . . . A 91 LEU CD1 . 17784 1 1050 . 1 1 91 91 LEU CD2 C 13 24.523 0.3 . 1 . . . A 91 LEU CD2 . 17784 1 1051 . 1 1 91 91 LEU N N 15 118.295 0.3 . 1 . . . A 91 LEU N . 17784 1 1052 . 1 1 92 92 ALA H H 1 7.931 0.020 . 1 . . . A 92 ALA H . 17784 1 1053 . 1 1 92 92 ALA HA H 1 4.088 0.020 . 1 . . . A 92 ALA HA . 17784 1 1054 . 1 1 92 92 ALA HB1 H 1 1.468 0.020 . 1 . . . A 92 ALA HB1 . 17784 1 1055 . 1 1 92 92 ALA HB2 H 1 1.468 0.020 . 1 . . . A 92 ALA HB2 . 17784 1 1056 . 1 1 92 92 ALA HB3 H 1 1.468 0.020 . 1 . . . A 92 ALA HB3 . 17784 1 1057 . 1 1 92 92 ALA C C 13 178.190 0.3 . 1 . . . A 92 ALA C . 17784 1 1058 . 1 1 92 92 ALA CA C 13 54.269 0.3 . 1 . . . A 92 ALA CA . 17784 1 1059 . 1 1 92 92 ALA CB C 13 18.855 0.3 . 1 . . . A 92 ALA CB . 17784 1 1060 . 1 1 92 92 ALA N N 15 120.491 0.3 . 1 . . . A 92 ALA N . 17784 1 1061 . 1 1 93 93 ARG H H 1 7.448 0.020 . 1 . . . A 93 ARG H . 17784 1 1062 . 1 1 93 93 ARG HA H 1 4.304 0.020 . 1 . . . A 93 ARG HA . 17784 1 1063 . 1 1 93 93 ARG HB2 H 1 2.026 0.020 . 2 . . . A 93 ARG HB2 . 17784 1 1064 . 1 1 93 93 ARG HB3 H 1 1.772 0.020 . 2 . . . A 93 ARG HB3 . 17784 1 1065 . 1 1 93 93 ARG HG2 H 1 1.679 0.020 . 2 . . . A 93 ARG HG2 . 17784 1 1066 . 1 1 93 93 ARG HG3 H 1 1.762 0.020 . 2 . . . A 93 ARG HG3 . 17784 1 1067 . 1 1 93 93 ARG HD2 H 1 3.205 0.020 . 1 . . . A 93 ARG HD2 . 17784 1 1068 . 1 1 93 93 ARG HD3 H 1 3.205 0.020 . 1 . . . A 93 ARG HD3 . 17784 1 1069 . 1 1 93 93 ARG CA C 13 56.024 0.3 . 1 . . . A 93 ARG CA . 17784 1 1070 . 1 1 93 93 ARG CB C 13 30.506 0.3 . 1 . . . A 93 ARG CB . 17784 1 1071 . 1 1 93 93 ARG CG C 13 27.186 0.3 . 1 . . . A 93 ARG CG . 17784 1 1072 . 1 1 93 93 ARG CD C 13 43.297 0.3 . 1 . . . A 93 ARG CD . 17784 1 1073 . 1 1 93 93 ARG N N 15 114.593 0.3 . 1 . . . A 93 ARG N . 17784 1 1074 . 1 1 94 94 MET H H 1 7.392 0.020 . 1 . . . A 94 MET H . 17784 1 1075 . 1 1 94 94 MET HA H 1 4.553 0.020 . 1 . . . A 94 MET HA . 17784 1 1076 . 1 1 94 94 MET HB2 H 1 2.198 0.020 . 2 . . . A 94 MET HB2 . 17784 1 1077 . 1 1 94 94 MET HB3 H 1 2.032 0.020 . 2 . . . A 94 MET HB3 . 17784 1 1078 . 1 1 94 94 MET HG2 H 1 2.642 0.020 . 2 . . . A 94 MET HG2 . 17784 1 1079 . 1 1 94 94 MET HG3 H 1 2.732 0.020 . 2 . . . A 94 MET HG3 . 17784 1 1080 . 1 1 94 94 MET HE1 H 1 2.015 0.020 . 1 . . . A 94 MET HE1 . 17784 1 1081 . 1 1 94 94 MET HE2 H 1 2.015 0.020 . 1 . . . A 94 MET HE2 . 17784 1 1082 . 1 1 94 94 MET HE3 H 1 2.015 0.020 . 1 . . . A 94 MET HE3 . 17784 1 1083 . 1 1 94 94 MET C C 13 176.559 0.3 . 1 . . . A 94 MET C . 17784 1 1084 . 1 1 94 94 MET CA C 13 55.393 0.3 . 1 . . . A 94 MET CA . 17784 1 1085 . 1 1 94 94 MET CB C 13 34.235 0.3 . 1 . . . A 94 MET CB . 17784 1 1086 . 1 1 94 94 MET CG C 13 32.535 0.3 . 1 . . . A 94 MET CG . 17784 1 1087 . 1 1 94 94 MET CE C 13 17.916 0.3 . 1 . . . A 94 MET CE . 17784 1 1088 . 1 1 94 94 MET N N 15 118.509 0.3 . 1 . . . A 94 MET N . 17784 1 1089 . 1 1 95 95 THR H H 1 8.707 0.020 . 1 . . . A 95 THR H . 17784 1 1090 . 1 1 95 95 THR HA H 1 4.539 0.020 . 1 . . . A 95 THR HA . 17784 1 1091 . 1 1 95 95 THR HB H 1 4.647 0.020 . 1 . . . A 95 THR HB . 17784 1 1092 . 1 1 95 95 THR HG21 H 1 1.446 0.020 . 1 . . . A 95 THR HG21 . 17784 1 1093 . 1 1 95 95 THR HG22 H 1 1.446 0.020 . 1 . . . A 95 THR HG22 . 17784 1 1094 . 1 1 95 95 THR HG23 H 1 1.446 0.020 . 1 . . . A 95 THR HG23 . 17784 1 1095 . 1 1 95 95 THR C C 13 173.772 0.3 . 1 . . . A 95 THR C . 17784 1 1096 . 1 1 95 95 THR CA C 13 60.392 0.3 . 1 . . . A 95 THR CA . 17784 1 1097 . 1 1 95 95 THR CB C 13 68.067 0.3 . 1 . . . A 95 THR CB . 17784 1 1098 . 1 1 95 95 THR CG2 C 13 22.191 0.3 . 1 . . . A 95 THR CG2 . 17784 1 1099 . 1 1 95 95 THR N N 15 114.581 0.3 . 1 . . . A 95 THR N . 17784 1 1100 . 1 1 96 96 PRO HA H 1 4.588 0.020 . 1 . . . A 96 PRO HA . 17784 1 1101 . 1 1 96 96 PRO HB2 H 1 1.954 0.020 . 2 . . . A 96 PRO HB2 . 17784 1 1102 . 1 1 96 96 PRO HB3 H 1 2.291 0.020 . 2 . . . A 96 PRO HB3 . 17784 1 1103 . 1 1 96 96 PRO HG2 H 1 2.242 0.020 . 2 . . . A 96 PRO HG2 . 17784 1 1104 . 1 1 96 96 PRO HG3 H 1 2.150 0.020 . 2 . . . A 96 PRO HG3 . 17784 1 1105 . 1 1 96 96 PRO HD2 H 1 3.926 0.020 . 1 . . . A 96 PRO HD2 . 17784 1 1106 . 1 1 96 96 PRO HD3 H 1 3.926 0.020 . 1 . . . A 96 PRO HD3 . 17784 1 1107 . 1 1 96 96 PRO CA C 13 66.116 0.3 . 1 . . . A 96 PRO CA . 17784 1 1108 . 1 1 96 96 PRO CB C 13 32.251 0.3 . 1 . . . A 96 PRO CB . 17784 1 1109 . 1 1 96 96 PRO CG C 13 27.845 0.3 . 1 . . . A 96 PRO CG . 17784 1 1110 . 1 1 96 96 PRO CD C 13 50.174 0.3 . 1 . . . A 96 PRO CD . 17784 1 1111 . 1 1 97 97 LEU H H 1 8.446 0.020 . 1 . . . A 97 LEU H . 17784 1 1112 . 1 1 97 97 LEU HA H 1 4.179 0.020 . 1 . . . A 97 LEU HA . 17784 1 1113 . 1 1 97 97 LEU HB2 H 1 1.568 0.020 . 2 . . . A 97 LEU HB2 . 17784 1 1114 . 1 1 97 97 LEU HB3 H 1 1.686 0.020 . 2 . . . A 97 LEU HB3 . 17784 1 1115 . 1 1 97 97 LEU HG H 1 0.974 0.020 . 1 . . . A 97 LEU HG . 17784 1 1116 . 1 1 97 97 LEU HD11 H 1 0.900 0.020 . 1 . . . A 97 LEU HD11 . 17784 1 1117 . 1 1 97 97 LEU HD12 H 1 0.900 0.020 . 1 . . . A 97 LEU HD12 . 17784 1 1118 . 1 1 97 97 LEU HD13 H 1 0.900 0.020 . 1 . . . A 97 LEU HD13 . 17784 1 1119 . 1 1 97 97 LEU HD21 H 1 0.851 0.020 . 1 . . . A 97 LEU HD21 . 17784 1 1120 . 1 1 97 97 LEU HD22 H 1 0.851 0.020 . 1 . . . A 97 LEU HD22 . 17784 1 1121 . 1 1 97 97 LEU HD23 H 1 0.851 0.020 . 1 . . . A 97 LEU HD23 . 17784 1 1122 . 1 1 97 97 LEU C C 13 178.696 0.3 . 1 . . . A 97 LEU C . 17784 1 1123 . 1 1 97 97 LEU CA C 13 58.228 0.3 . 1 . . . A 97 LEU CA . 17784 1 1124 . 1 1 97 97 LEU CB C 13 42.118 0.3 . 1 . . . A 97 LEU CB . 17784 1 1125 . 1 1 97 97 LEU CG C 13 26.897 0.3 . 1 . . . A 97 LEU CG . 17784 1 1126 . 1 1 97 97 LEU CD1 C 13 24.393 0.3 . 1 . . . A 97 LEU CD1 . 17784 1 1127 . 1 1 97 97 LEU CD2 C 13 24.647 0.3 . 1 . . . A 97 LEU CD2 . 17784 1 1128 . 1 1 97 97 LEU N N 15 117.653 0.3 . 1 . . . A 97 LEU N . 17784 1 1129 . 1 1 98 98 SER H H 1 7.606 0.020 . 1 . . . A 98 SER H . 17784 1 1130 . 1 1 98 98 SER HA H 1 4.063 0.020 . 1 . . . A 98 SER HA . 17784 1 1131 . 1 1 98 98 SER HB2 H 1 3.863 0.020 . 1 . . . A 98 SER HB2 . 17784 1 1132 . 1 1 98 98 SER HB3 H 1 3.863 0.020 . 1 . . . A 98 SER HB3 . 17784 1 1133 . 1 1 98 98 SER C C 13 177.476 0.3 . 1 . . . A 98 SER C . 17784 1 1134 . 1 1 98 98 SER CA C 13 62.594 0.3 . 1 . . . A 98 SER CA . 17784 1 1135 . 1 1 98 98 SER CB C 13 62.761 0.3 . 1 . . . A 98 SER CB . 17784 1 1136 . 1 1 98 98 SER N N 15 115.237 0.3 . 1 . . . A 98 SER N . 17784 1 1137 . 1 1 100 100 GLN H H 1 8.114 0.020 . 1 . . . A 100 GLN H . 17784 1 1138 . 1 1 100 100 GLN HA H 1 3.894 0.020 . 1 . . . A 100 GLN HA . 17784 1 1139 . 1 1 100 100 GLN HB2 H 1 2.027 0.020 . 2 . . . A 100 GLN HB2 . 17784 1 1140 . 1 1 100 100 GLN HB3 H 1 1.920 0.020 . 2 . . . A 100 GLN HB3 . 17784 1 1141 . 1 1 100 100 GLN HG2 H 1 2.319 0.020 . 2 . . . A 100 GLN HG2 . 17784 1 1142 . 1 1 100 100 GLN HG3 H 1 2.393 0.020 . 2 . . . A 100 GLN HG3 . 17784 1 1143 . 1 1 100 100 GLN HE21 H 1 6.288 0.020 . 1 . . . A 100 GLN HE21 . 17784 1 1144 . 1 1 100 100 GLN HE22 H 1 6.987 0.020 . 1 . . . A 100 GLN HE22 . 17784 1 1145 . 1 1 100 100 GLN C C 13 177.312 0.3 . 1 . . . A 100 GLN C . 17784 1 1146 . 1 1 100 100 GLN CA C 13 59.961 0.3 . 1 . . . A 100 GLN CA . 17784 1 1147 . 1 1 100 100 GLN CB C 13 30.287 0.3 . 1 . . . A 100 GLN CB . 17784 1 1148 . 1 1 100 100 GLN CG C 13 35.784 0.3 . 1 . . . A 100 GLN CG . 17784 1 1149 . 1 1 100 100 GLN N N 15 116.092 0.3 . 1 . . . A 100 GLN N . 17784 1 1150 . 1 1 100 100 GLN NE2 N 15 108.170 0.3 . 1 . . . A 100 GLN NE2 . 17784 1 1151 . 1 1 101 101 ALA H H 1 8.219 0.020 . 1 . . . A 101 ALA H . 17784 1 1152 . 1 1 101 101 ALA HA H 1 3.717 0.020 . 1 . . . A 101 ALA HA . 17784 1 1153 . 1 1 101 101 ALA HB1 H 1 1.394 0.020 . 1 . . . A 101 ALA HB1 . 17784 1 1154 . 1 1 101 101 ALA HB2 H 1 1.394 0.020 . 1 . . . A 101 ALA HB2 . 17784 1 1155 . 1 1 101 101 ALA HB3 H 1 1.394 0.020 . 1 . . . A 101 ALA HB3 . 17784 1 1156 . 1 1 101 101 ALA C C 13 179.839 0.3 . 1 . . . A 101 ALA C . 17784 1 1157 . 1 1 101 101 ALA CA C 13 56.245 0.3 . 1 . . . A 101 ALA CA . 17784 1 1158 . 1 1 101 101 ALA CB C 13 19.015 0.3 . 1 . . . A 101 ALA CB . 17784 1 1159 . 1 1 101 101 ALA N N 15 119.600 0.3 . 1 . . . A 101 ALA N . 17784 1 1160 . 1 1 102 102 LEU H H 1 8.467 0.020 . 1 . . . A 102 LEU H . 17784 1 1161 . 1 1 102 102 LEU HA H 1 3.992 0.020 . 1 . . . A 102 LEU HA . 17784 1 1162 . 1 1 102 102 LEU HB2 H 1 1.494 0.020 . 1 . . . A 102 LEU HB2 . 17784 1 1163 . 1 1 102 102 LEU HB3 H 1 1.494 0.020 . 1 . . . A 102 LEU HB3 . 17784 1 1164 . 1 1 102 102 LEU HG H 1 1.420 0.020 . 1 . . . A 102 LEU HG . 17784 1 1165 . 1 1 102 102 LEU HD11 H 1 0.834 0.020 . 1 . . . A 102 LEU HD11 . 17784 1 1166 . 1 1 102 102 LEU HD12 H 1 0.834 0.020 . 1 . . . A 102 LEU HD12 . 17784 1 1167 . 1 1 102 102 LEU HD13 H 1 0.834 0.020 . 1 . . . A 102 LEU HD13 . 17784 1 1168 . 1 1 102 102 LEU HD21 H 1 0.884 0.020 . 1 . . . A 102 LEU HD21 . 17784 1 1169 . 1 1 102 102 LEU HD22 H 1 0.884 0.020 . 1 . . . A 102 LEU HD22 . 17784 1 1170 . 1 1 102 102 LEU HD23 H 1 0.884 0.020 . 1 . . . A 102 LEU HD23 . 17784 1 1171 . 1 1 102 102 LEU C C 13 177.775 0.3 . 1 . . . A 102 LEU C . 17784 1 1172 . 1 1 102 102 LEU CA C 13 58.090 0.3 . 1 . . . A 102 LEU CA . 17784 1 1173 . 1 1 102 102 LEU CB C 13 41.880 0.3 . 1 . . . A 102 LEU CB . 17784 1 1174 . 1 1 102 102 LEU CG C 13 27.179 0.3 . 1 . . . A 102 LEU CG . 17784 1 1175 . 1 1 102 102 LEU CD1 C 13 26.304 0.3 . 1 . . . A 102 LEU CD1 . 17784 1 1176 . 1 1 102 102 LEU CD2 C 13 23.833 0.3 . 1 . . . A 102 LEU CD2 . 17784 1 1177 . 1 1 102 102 LEU N N 15 118.335 0.3 . 1 . . . A 102 LEU N . 17784 1 1178 . 1 1 103 103 LEU H H 1 8.661 0.020 . 1 . . . A 103 LEU H . 17784 1 1179 . 1 1 103 103 LEU HA H 1 4.022 0.020 . 1 . . . A 103 LEU HA . 17784 1 1180 . 1 1 103 103 LEU HB2 H 1 1.902 0.020 . 2 . . . A 103 LEU HB2 . 17784 1 1181 . 1 1 103 103 LEU HB3 H 1 1.926 0.020 . 2 . . . A 103 LEU HB3 . 17784 1 1182 . 1 1 103 103 LEU HG H 1 1.412 0.020 . 1 . . . A 103 LEU HG . 17784 1 1183 . 1 1 103 103 LEU HD11 H 1 0.835 0.020 . 1 . . . A 103 LEU HD11 . 17784 1 1184 . 1 1 103 103 LEU HD12 H 1 0.835 0.020 . 1 . . . A 103 LEU HD12 . 17784 1 1185 . 1 1 103 103 LEU HD13 H 1 0.835 0.020 . 1 . . . A 103 LEU HD13 . 17784 1 1186 . 1 1 103 103 LEU HD21 H 1 0.674 0.020 . 1 . . . A 103 LEU HD21 . 17784 1 1187 . 1 1 103 103 LEU HD22 H 1 0.674 0.020 . 1 . . . A 103 LEU HD22 . 17784 1 1188 . 1 1 103 103 LEU HD23 H 1 0.674 0.020 . 1 . . . A 103 LEU HD23 . 17784 1 1189 . 1 1 103 103 LEU C C 13 180.134 0.3 . 1 . . . A 103 LEU C . 17784 1 1190 . 1 1 103 103 LEU CA C 13 58.211 0.3 . 1 . . . A 103 LEU CA . 17784 1 1191 . 1 1 103 103 LEU CB C 13 42.174 0.3 . 1 . . . A 103 LEU CB . 17784 1 1192 . 1 1 103 103 LEU CG C 13 27.326 0.3 . 1 . . . A 103 LEU CG . 17784 1 1193 . 1 1 103 103 LEU CD1 C 13 26.338 0.3 . 1 . . . A 103 LEU CD1 . 17784 1 1194 . 1 1 103 103 LEU CD2 C 13 25.534 0.3 . 1 . . . A 103 LEU CD2 . 17784 1 1195 . 1 1 103 103 LEU N N 15 116.545 0.3 . 1 . . . A 103 LEU N . 17784 1 1196 . 1 1 104 104 LEU H H 1 9.043 0.020 . 1 . . . A 104 LEU H . 17784 1 1197 . 1 1 104 104 LEU HA H 1 3.895 0.020 . 1 . . . A 104 LEU HA . 17784 1 1198 . 1 1 104 104 LEU HB2 H 1 1.903 0.020 . 2 . . . A 104 LEU HB2 . 17784 1 1199 . 1 1 104 104 LEU HB3 H 1 1.866 0.020 . 2 . . . A 104 LEU HB3 . 17784 1 1200 . 1 1 104 104 LEU HD11 H 1 0.604 0.020 . 1 . . . A 104 LEU HD11 . 17784 1 1201 . 1 1 104 104 LEU HD12 H 1 0.604 0.020 . 1 . . . A 104 LEU HD12 . 17784 1 1202 . 1 1 104 104 LEU HD13 H 1 0.604 0.020 . 1 . . . A 104 LEU HD13 . 17784 1 1203 . 1 1 104 104 LEU HD21 H 1 0.168 0.020 . 1 . . . A 104 LEU HD21 . 17784 1 1204 . 1 1 104 104 LEU HD22 H 1 0.168 0.020 . 1 . . . A 104 LEU HD22 . 17784 1 1205 . 1 1 104 104 LEU HD23 H 1 0.168 0.020 . 1 . . . A 104 LEU HD23 . 17784 1 1206 . 1 1 104 104 LEU C C 13 177.169 0.3 . 1 . . . A 104 LEU C . 17784 1 1207 . 1 1 104 104 LEU CA C 13 57.934 0.3 . 1 . . . A 104 LEU CA . 17784 1 1208 . 1 1 104 104 LEU CB C 13 42.610 0.3 . 1 . . . A 104 LEU CB . 17784 1 1209 . 1 1 104 104 LEU CD1 C 13 26.432 0.3 . 1 . . . A 104 LEU CD1 . 17784 1 1210 . 1 1 104 104 LEU CD2 C 13 21.959 0.3 . 1 . . . A 104 LEU CD2 . 17784 1 1211 . 1 1 104 104 LEU N N 15 117.610 0.3 . 1 . . . A 104 LEU N . 17784 1 1212 . 1 1 105 105 THR H H 1 7.253 0.020 . 1 . . . A 105 THR H . 17784 1 1213 . 1 1 105 105 THR HA H 1 4.932 0.020 . 1 . . . A 105 THR HA . 17784 1 1214 . 1 1 105 105 THR HB H 1 4.027 0.020 . 1 . . . A 105 THR HB . 17784 1 1215 . 1 1 105 105 THR HG21 H 1 1.021 0.020 . 1 . . . A 105 THR HG21 . 17784 1 1216 . 1 1 105 105 THR HG22 H 1 1.021 0.020 . 1 . . . A 105 THR HG22 . 17784 1 1217 . 1 1 105 105 THR HG23 H 1 1.021 0.020 . 1 . . . A 105 THR HG23 . 17784 1 1218 . 1 1 105 105 THR C C 13 176.239 0.3 . 1 . . . A 105 THR C . 17784 1 1219 . 1 1 105 105 THR CA C 13 61.398 0.3 . 1 . . . A 105 THR CA . 17784 1 1220 . 1 1 105 105 THR CB C 13 69.252 0.3 . 1 . . . A 105 THR CB . 17784 1 1221 . 1 1 105 105 THR CG2 C 13 20.835 0.3 . 1 . . . A 105 THR CG2 . 17784 1 1222 . 1 1 105 105 THR N N 15 105.604 0.3 . 1 . . . A 105 THR N . 17784 1 1223 . 1 1 106 106 ALA H H 1 8.555 0.020 . 1 . . . A 106 ALA H . 17784 1 1224 . 1 1 106 106 ALA HA H 1 4.268 0.020 . 1 . . . A 106 ALA HA . 17784 1 1225 . 1 1 106 106 ALA HB1 H 1 1.344 0.020 . 1 . . . A 106 ALA HB1 . 17784 1 1226 . 1 1 106 106 ALA HB2 H 1 1.344 0.020 . 1 . . . A 106 ALA HB2 . 17784 1 1227 . 1 1 106 106 ALA HB3 H 1 1.344 0.020 . 1 . . . A 106 ALA HB3 . 17784 1 1228 . 1 1 106 106 ALA C C 13 177.922 0.3 . 1 . . . A 106 ALA C . 17784 1 1229 . 1 1 106 106 ALA CA C 13 54.531 0.3 . 1 . . . A 106 ALA CA . 17784 1 1230 . 1 1 106 106 ALA CB C 13 18.565 0.3 . 1 . . . A 106 ALA CB . 17784 1 1231 . 1 1 106 106 ALA N N 15 124.411 0.3 . 1 . . . A 106 ALA N . 17784 1 1232 . 1 1 107 107 MET H H 1 7.167 0.020 . 1 . . . A 107 MET H . 17784 1 1233 . 1 1 107 107 MET HA H 1 4.277 0.020 . 1 . . . A 107 MET HA . 17784 1 1234 . 1 1 107 107 MET HB2 H 1 2.136 0.020 . 2 . . . A 107 MET HB2 . 17784 1 1235 . 1 1 107 107 MET HB3 H 1 2.213 0.020 . 2 . . . A 107 MET HB3 . 17784 1 1236 . 1 1 107 107 MET HG2 H 1 2.416 0.020 . 1 . . . A 107 MET HG2 . 17784 1 1237 . 1 1 107 107 MET HG3 H 1 2.416 0.020 . 1 . . . A 107 MET HG3 . 17784 1 1238 . 1 1 107 107 MET HE1 H 1 2.319 0.020 . 1 . . . A 107 MET HE1 . 17784 1 1239 . 1 1 107 107 MET HE2 H 1 2.319 0.020 . 1 . . . A 107 MET HE2 . 17784 1 1240 . 1 1 107 107 MET HE3 H 1 2.319 0.020 . 1 . . . A 107 MET HE3 . 17784 1 1241 . 1 1 107 107 MET C C 13 177.201 0.3 . 1 . . . A 107 MET C . 17784 1 1242 . 1 1 107 107 MET CA C 13 58.804 0.3 . 1 . . . A 107 MET CA . 17784 1 1243 . 1 1 107 107 MET CB C 13 34.074 0.3 . 1 . . . A 107 MET CB . 17784 1 1244 . 1 1 107 107 MET CG C 13 33.783 0.3 . 1 . . . A 107 MET CG . 17784 1 1245 . 1 1 107 107 MET CE C 13 17.270 0.3 . 1 . . . A 107 MET CE . 17784 1 1246 . 1 1 107 107 MET N N 15 114.098 0.3 . 1 . . . A 107 MET N . 17784 1 1247 . 1 1 108 108 GLU H H 1 8.292 0.020 . 1 . . . A 108 GLU H . 17784 1 1248 . 1 1 108 108 GLU HA H 1 3.882 0.020 . 1 . . . A 108 GLU HA . 17784 1 1249 . 1 1 108 108 GLU HB2 H 1 1.964 0.020 . 1 . . . A 108 GLU HB2 . 17784 1 1250 . 1 1 108 108 GLU HB3 H 1 1.964 0.020 . 1 . . . A 108 GLU HB3 . 17784 1 1251 . 1 1 108 108 GLU HG2 H 1 2.363 0.020 . 1 . . . A 108 GLU HG2 . 17784 1 1252 . 1 1 108 108 GLU HG3 H 1 2.363 0.020 . 1 . . . A 108 GLU HG3 . 17784 1 1253 . 1 1 108 108 GLU C C 13 177.508 0.3 . 1 . . . A 108 GLU C . 17784 1 1254 . 1 1 108 108 GLU CA C 13 56.268 0.3 . 1 . . . A 108 GLU CA . 17784 1 1255 . 1 1 108 108 GLU CB C 13 30.219 0.3 . 1 . . . A 108 GLU CB . 17784 1 1256 . 1 1 108 108 GLU CG C 13 33.904 0.3 . 1 . . . A 108 GLU CG . 17784 1 1257 . 1 1 108 108 GLU N N 15 112.646 0.3 . 1 . . . A 108 GLU N . 17784 1 1258 . 1 1 109 109 GLY H H 1 6.709 0.020 . 1 . . . A 109 GLY H . 17784 1 1259 . 1 1 109 109 GLY HA2 H 1 3.643 0.020 . 2 . . . A 109 GLY HA2 . 17784 1 1260 . 1 1 109 109 GLY HA3 H 1 3.695 0.020 . 2 . . . A 109 GLY HA3 . 17784 1 1261 . 1 1 109 109 GLY CA C 13 46.196 0.3 . 1 . . . A 109 GLY CA . 17784 1 1262 . 1 1 109 109 GLY N N 15 104.766 0.3 . 1 . . . A 109 GLY N . 17784 1 1263 . 1 1 110 110 PHE H H 1 8.304 0.020 . 1 . . . A 110 PHE H . 17784 1 1264 . 1 1 110 110 PHE HA H 1 4.531 0.020 . 1 . . . A 110 PHE HA . 17784 1 1265 . 1 1 110 110 PHE HB2 H 1 2.966 0.020 . 1 . . . A 110 PHE HB2 . 17784 1 1266 . 1 1 110 110 PHE HB3 H 1 2.966 0.020 . 1 . . . A 110 PHE HB3 . 17784 1 1267 . 1 1 110 110 PHE HD1 H 1 7.151 0.020 . 1 . . . A 110 PHE HD1 . 17784 1 1268 . 1 1 110 110 PHE HD2 H 1 7.151 0.020 . 1 . . . A 110 PHE HD2 . 17784 1 1269 . 1 1 110 110 PHE HE1 H 1 6.335 0.020 . 1 . . . A 110 PHE HE1 . 17784 1 1270 . 1 1 110 110 PHE HE2 H 1 6.335 0.020 . 1 . . . A 110 PHE HE2 . 17784 1 1271 . 1 1 110 110 PHE HZ H 1 5.698 0.020 . 1 . . . A 110 PHE HZ . 17784 1 1272 . 1 1 110 110 PHE C C 13 176.324 0.3 . 1 . . . A 110 PHE C . 17784 1 1273 . 1 1 110 110 PHE CA C 13 59.275 0.3 . 1 . . . A 110 PHE CA . 17784 1 1274 . 1 1 110 110 PHE CB C 13 38.296 0.3 . 1 . . . A 110 PHE CB . 17784 1 1275 . 1 1 110 110 PHE CD1 C 13 131.330 0.3 . 1 . . . A 110 PHE CD1 . 17784 1 1276 . 1 1 110 110 PHE CE1 C 13 131.031 0.3 . 1 . . . A 110 PHE CE1 . 17784 1 1277 . 1 1 110 110 PHE CZ C 13 128.060 0.3 . 1 . . . A 110 PHE CZ . 17784 1 1278 . 1 1 110 110 PHE N N 15 119.474 0.3 . 1 . . . A 110 PHE N . 17784 1 1279 . 1 1 111 111 SER H H 1 9.382 0.020 . 1 . . . A 111 SER H . 17784 1 1280 . 1 1 111 111 SER HA H 1 4.524 0.020 . 1 . . . A 111 SER HA . 17784 1 1281 . 1 1 111 111 SER HB2 H 1 4.067 0.020 . 1 . . . A 111 SER HB2 . 17784 1 1282 . 1 1 111 111 SER HB3 H 1 4.067 0.020 . 1 . . . A 111 SER HB3 . 17784 1 1283 . 1 1 111 111 SER CA C 13 55.986 0.3 . 1 . . . A 111 SER CA . 17784 1 1284 . 1 1 111 111 SER CB C 13 62.544 0.3 . 1 . . . A 111 SER CB . 17784 1 1285 . 1 1 111 111 SER N N 15 118.645 0.3 . 1 . . . A 111 SER N . 17784 1 1286 . 1 1 112 112 PRO HA H 1 3.998 0.020 . 1 . . . A 112 PRO HA . 17784 1 1287 . 1 1 112 112 PRO HB2 H 1 1.889 0.020 . 2 . . . A 112 PRO HB2 . 17784 1 1288 . 1 1 112 112 PRO HB3 H 1 2.169 0.020 . 2 . . . A 112 PRO HB3 . 17784 1 1289 . 1 1 112 112 PRO HD2 H 1 3.611 0.020 . 1 . . . A 112 PRO HD2 . 17784 1 1290 . 1 1 112 112 PRO HD3 H 1 3.611 0.020 . 1 . . . A 112 PRO HD3 . 17784 1 1291 . 1 1 112 112 PRO CA C 13 66.492 0.3 . 1 . . . A 112 PRO CA . 17784 1 1292 . 1 1 112 112 PRO CB C 13 31.558 0.3 . 1 . . . A 112 PRO CB . 17784 1 1293 . 1 1 112 112 PRO CD C 13 50.843 0.3 . 1 . . . A 112 PRO CD . 17784 1 1294 . 1 1 113 113 GLU H H 1 8.779 0.020 . 1 . . . A 113 GLU H . 17784 1 1295 . 1 1 113 113 GLU HA H 1 4.083 0.020 . 1 . . . A 113 GLU HA . 17784 1 1296 . 1 1 113 113 GLU HB2 H 1 1.967 0.020 . 2 . . . A 113 GLU HB2 . 17784 1 1297 . 1 1 113 113 GLU HB3 H 1 1.860 0.020 . 2 . . . A 113 GLU HB3 . 17784 1 1298 . 1 1 113 113 GLU HG2 H 1 2.401 0.020 . 2 . . . A 113 GLU HG2 . 17784 1 1299 . 1 1 113 113 GLU HG3 H 1 2.259 0.020 . 2 . . . A 113 GLU HG3 . 17784 1 1300 . 1 1 113 113 GLU C C 13 179.203 0.3 . 1 . . . A 113 GLU C . 17784 1 1301 . 1 1 113 113 GLU CA C 13 59.923 0.3 . 1 . . . A 113 GLU CA . 17784 1 1302 . 1 1 113 113 GLU CB C 13 28.823 0.3 . 1 . . . A 113 GLU CB . 17784 1 1303 . 1 1 113 113 GLU CG C 13 36.862 0.3 . 1 . . . A 113 GLU CG . 17784 1 1304 . 1 1 113 113 GLU N N 15 115.662 0.3 . 1 . . . A 113 GLU N . 17784 1 1305 . 1 1 114 114 ASP H H 1 7.846 0.020 . 1 . . . A 114 ASP H . 17784 1 1306 . 1 1 114 114 ASP HA H 1 4.423 0.020 . 1 . . . A 114 ASP HA . 17784 1 1307 . 1 1 114 114 ASP HB2 H 1 2.402 0.020 . 2 . . . A 114 ASP HB2 . 17784 1 1308 . 1 1 114 114 ASP HB3 H 1 2.985 0.020 . 2 . . . A 114 ASP HB3 . 17784 1 1309 . 1 1 114 114 ASP CA C 13 56.877 0.3 . 1 . . . A 114 ASP CA . 17784 1 1310 . 1 1 114 114 ASP CB C 13 40.109 0.3 . 1 . . . A 114 ASP CB . 17784 1 1311 . 1 1 114 114 ASP N N 15 123.512 0.3 . 1 . . . A 114 ASP N . 17784 1 1312 . 1 1 115 115 ALA H H 1 8.922 0.020 . 1 . . . A 115 ALA H . 17784 1 1313 . 1 1 115 115 ALA HA H 1 3.646 0.020 . 1 . . . A 115 ALA HA . 17784 1 1314 . 1 1 115 115 ALA HB1 H 1 1.179 0.020 . 1 . . . A 115 ALA HB1 . 17784 1 1315 . 1 1 115 115 ALA HB2 H 1 1.179 0.020 . 1 . . . A 115 ALA HB2 . 17784 1 1316 . 1 1 115 115 ALA HB3 H 1 1.179 0.020 . 1 . . . A 115 ALA HB3 . 17784 1 1317 . 1 1 115 115 ALA C C 13 178.162 0.3 . 1 . . . A 115 ALA C . 17784 1 1318 . 1 1 115 115 ALA CA C 13 55.078 0.3 . 1 . . . A 115 ALA CA . 17784 1 1319 . 1 1 115 115 ALA CB C 13 17.851 0.3 . 1 . . . A 115 ALA CB . 17784 1 1320 . 1 1 115 115 ALA N N 15 121.791 0.3 . 1 . . . A 115 ALA N . 17784 1 1321 . 1 1 116 116 ALA H H 1 8.399 0.020 . 1 . . . A 116 ALA H . 17784 1 1322 . 1 1 116 116 ALA HA H 1 3.610 0.020 . 1 . . . A 116 ALA HA . 17784 1 1323 . 1 1 116 116 ALA HB1 H 1 1.504 0.020 . 1 . . . A 116 ALA HB1 . 17784 1 1324 . 1 1 116 116 ALA HB2 H 1 1.504 0.020 . 1 . . . A 116 ALA HB2 . 17784 1 1325 . 1 1 116 116 ALA HB3 H 1 1.504 0.020 . 1 . . . A 116 ALA HB3 . 17784 1 1326 . 1 1 116 116 ALA C C 13 179.685 0.3 . 1 . . . A 116 ALA C . 17784 1 1327 . 1 1 116 116 ALA CA C 13 55.636 0.3 . 1 . . . A 116 ALA CA . 17784 1 1328 . 1 1 116 116 ALA CB C 13 18.007 0.3 . 1 . . . A 116 ALA CB . 17784 1 1329 . 1 1 116 116 ALA N N 15 120.275 0.3 . 1 . . . A 116 ALA N . 17784 1 1330 . 1 1 117 117 TYR H H 1 7.168 0.020 . 1 . . . A 117 TYR H . 17784 1 1331 . 1 1 117 117 TYR HA H 1 4.186 0.020 . 1 . . . A 117 TYR HA . 17784 1 1332 . 1 1 117 117 TYR HB2 H 1 3.174 0.020 . 2 . . . A 117 TYR HB2 . 17784 1 1333 . 1 1 117 117 TYR HB3 H 1 3.272 0.020 . 2 . . . A 117 TYR HB3 . 17784 1 1334 . 1 1 117 117 TYR HD1 H 1 6.894 0.020 . 1 . . . A 117 TYR HD1 . 17784 1 1335 . 1 1 117 117 TYR HD2 H 1 6.894 0.020 . 1 . . . A 117 TYR HD2 . 17784 1 1336 . 1 1 117 117 TYR HE1 H 1 6.491 0.020 . 1 . . . A 117 TYR HE1 . 17784 1 1337 . 1 1 117 117 TYR HE2 H 1 6.491 0.020 . 1 . . . A 117 TYR HE2 . 17784 1 1338 . 1 1 117 117 TYR C C 13 177.179 0.3 . 1 . . . A 117 TYR C . 17784 1 1339 . 1 1 117 117 TYR CA C 13 59.929 0.3 . 1 . . . A 117 TYR CA . 17784 1 1340 . 1 1 117 117 TYR CB C 13 37.733 0.3 . 1 . . . A 117 TYR CB . 17784 1 1341 . 1 1 117 117 TYR CD2 C 13 133.184 0.3 . 1 . . . A 117 TYR CD2 . 17784 1 1342 . 1 1 117 117 TYR CE2 C 13 118.034 0.3 . 1 . . . A 117 TYR CE2 . 17784 1 1343 . 1 1 117 117 TYR N N 15 118.295 0.3 . 1 . . . A 117 TYR N . 17784 1 1344 . 1 1 118 118 LEU H H 1 7.595 0.020 . 1 . . . A 118 LEU H . 17784 1 1345 . 1 1 118 118 LEU HA H 1 3.589 0.020 . 1 . . . A 118 LEU HA . 17784 1 1346 . 1 1 118 118 LEU HB2 H 1 1.701 0.020 . 2 . . . A 118 LEU HB2 . 17784 1 1347 . 1 1 118 118 LEU HB3 H 1 1.487 0.020 . 2 . . . A 118 LEU HB3 . 17784 1 1348 . 1 1 118 118 LEU HG H 1 1.736 0.020 . 1 . . . A 118 LEU HG . 17784 1 1349 . 1 1 118 118 LEU HD11 H 1 -0.222 0.020 . 1 . . . A 118 LEU HD11 . 17784 1 1350 . 1 1 118 118 LEU HD12 H 1 -0.222 0.020 . 1 . . . A 118 LEU HD12 . 17784 1 1351 . 1 1 118 118 LEU HD13 H 1 -0.222 0.020 . 1 . . . A 118 LEU HD13 . 17784 1 1352 . 1 1 118 118 LEU HD21 H 1 0.650 0.020 . 1 . . . A 118 LEU HD21 . 17784 1 1353 . 1 1 118 118 LEU HD22 H 1 0.650 0.020 . 1 . . . A 118 LEU HD22 . 17784 1 1354 . 1 1 118 118 LEU HD23 H 1 0.650 0.020 . 1 . . . A 118 LEU HD23 . 17784 1 1355 . 1 1 118 118 LEU C C 13 178.388 0.3 . 1 . . . A 118 LEU C . 17784 1 1356 . 1 1 118 118 LEU CA C 13 57.680 0.3 . 1 . . . A 118 LEU CA . 17784 1 1357 . 1 1 118 118 LEU CB C 13 42.281 0.3 . 1 . . . A 118 LEU CB . 17784 1 1358 . 1 1 118 118 LEU CG C 13 26.121 0.3 . 1 . . . A 118 LEU CG . 17784 1 1359 . 1 1 118 118 LEU CD1 C 13 25.965 0.3 . 1 . . . A 118 LEU CD1 . 17784 1 1360 . 1 1 118 118 LEU CD2 C 13 24.039 0.3 . 1 . . . A 118 LEU CD2 . 17784 1 1361 . 1 1 118 118 LEU N N 15 117.458 0.3 . 1 . . . A 118 LEU N . 17784 1 1362 . 1 1 119 119 ILE H H 1 7.964 0.020 . 1 . . . A 119 ILE H . 17784 1 1363 . 1 1 119 119 ILE HA H 1 4.159 0.020 . 1 . . . A 119 ILE HA . 17784 1 1364 . 1 1 119 119 ILE HB H 1 1.848 0.020 . 1 . . . A 119 ILE HB . 17784 1 1365 . 1 1 119 119 ILE HG12 H 1 1.368 0.020 . 2 . . . A 119 ILE HG12 . 17784 1 1366 . 1 1 119 119 ILE HG13 H 1 1.048 0.020 . 2 . . . A 119 ILE HG13 . 17784 1 1367 . 1 1 119 119 ILE HG21 H 1 0.719 0.020 . 1 . . . A 119 ILE HG21 . 17784 1 1368 . 1 1 119 119 ILE HG22 H 1 0.719 0.020 . 1 . . . A 119 ILE HG22 . 17784 1 1369 . 1 1 119 119 ILE HG23 H 1 0.719 0.020 . 1 . . . A 119 ILE HG23 . 17784 1 1370 . 1 1 119 119 ILE HD11 H 1 0.574 0.020 . 1 . . . A 119 ILE HD11 . 17784 1 1371 . 1 1 119 119 ILE HD12 H 1 0.574 0.020 . 1 . . . A 119 ILE HD12 . 17784 1 1372 . 1 1 119 119 ILE HD13 H 1 0.574 0.020 . 1 . . . A 119 ILE HD13 . 17784 1 1373 . 1 1 119 119 ILE C C 13 174.157 0.3 . 1 . . . A 119 ILE C . 17784 1 1374 . 1 1 119 119 ILE CA C 13 61.204 0.3 . 1 . . . A 119 ILE CA . 17784 1 1375 . 1 1 119 119 ILE CB C 13 38.122 0.3 . 1 . . . A 119 ILE CB . 17784 1 1376 . 1 1 119 119 ILE CG1 C 13 26.614 0.3 . 1 . . . A 119 ILE CG1 . 17784 1 1377 . 1 1 119 119 ILE CG2 C 13 18.345 0.3 . 1 . . . A 119 ILE CG2 . 17784 1 1378 . 1 1 119 119 ILE CD1 C 13 13.576 0.3 . 1 . . . A 119 ILE CD1 . 17784 1 1379 . 1 1 119 119 ILE N N 15 111.908 0.3 . 1 . . . A 119 ILE N . 17784 1 1380 . 1 1 120 120 GLU H H 1 7.710 0.020 . 1 . . . A 120 GLU H . 17784 1 1381 . 1 1 120 120 GLU HA H 1 3.791 0.020 . 1 . . . A 120 GLU HA . 17784 1 1382 . 1 1 120 120 GLU HB2 H 1 2.051 0.020 . 2 . . . A 120 GLU HB2 . 17784 1 1383 . 1 1 120 120 GLU HB3 H 1 2.141 0.020 . 2 . . . A 120 GLU HB3 . 17784 1 1384 . 1 1 120 120 GLU HG2 H 1 1.892 0.020 . 2 . . . A 120 GLU HG2 . 17784 1 1385 . 1 1 120 120 GLU HG3 H 1 1.990 0.020 . 2 . . . A 120 GLU HG3 . 17784 1 1386 . 1 1 120 120 GLU C C 13 175.575 0.3 . 1 . . . A 120 GLU C . 17784 1 1387 . 1 1 120 120 GLU CA C 13 57.315 0.3 . 1 . . . A 120 GLU CA . 17784 1 1388 . 1 1 120 120 GLU CB C 13 26.716 0.3 . 1 . . . A 120 GLU CB . 17784 1 1389 . 1 1 120 120 GLU CG C 13 36.881 0.3 . 1 . . . A 120 GLU CG . 17784 1 1390 . 1 1 120 120 GLU N N 15 118.108 0.3 . 1 . . . A 120 GLU N . 17784 1 1391 . 1 1 121 121 VAL H H 1 7.638 0.020 . 1 . . . A 121 VAL H . 17784 1 1392 . 1 1 121 121 VAL HA H 1 4.674 0.020 . 1 . . . A 121 VAL HA . 17784 1 1393 . 1 1 121 121 VAL HB H 1 2.285 0.020 . 1 . . . A 121 VAL HB . 17784 1 1394 . 1 1 121 121 VAL HG11 H 1 0.797 0.020 . 1 . . . A 121 VAL HG11 . 17784 1 1395 . 1 1 121 121 VAL HG12 H 1 0.797 0.020 . 1 . . . A 121 VAL HG12 . 17784 1 1396 . 1 1 121 121 VAL HG13 H 1 0.797 0.020 . 1 . . . A 121 VAL HG13 . 17784 1 1397 . 1 1 121 121 VAL HG21 H 1 0.604 0.020 . 1 . . . A 121 VAL HG21 . 17784 1 1398 . 1 1 121 121 VAL HG22 H 1 0.604 0.020 . 1 . . . A 121 VAL HG22 . 17784 1 1399 . 1 1 121 121 VAL HG23 H 1 0.604 0.020 . 1 . . . A 121 VAL HG23 . 17784 1 1400 . 1 1 121 121 VAL C C 13 174.543 0.3 . 1 . . . A 121 VAL C . 17784 1 1401 . 1 1 121 121 VAL CA C 13 58.523 0.3 . 1 . . . A 121 VAL CA . 17784 1 1402 . 1 1 121 121 VAL CB C 13 34.907 0.3 . 1 . . . A 121 VAL CB . 17784 1 1403 . 1 1 121 121 VAL CG1 C 13 21.656 0.3 . 1 . . . A 121 VAL CG1 . 17784 1 1404 . 1 1 121 121 VAL CG2 C 13 18.320 0.3 . 1 . . . A 121 VAL CG2 . 17784 1 1405 . 1 1 121 121 VAL N N 15 110.769 0.3 . 1 . . . A 121 VAL N . 17784 1 1406 . 1 1 122 122 ASP H H 1 8.439 0.020 . 1 . . . A 122 ASP H . 17784 1 1407 . 1 1 122 122 ASP HA H 1 4.715 0.020 . 1 . . . A 122 ASP HA . 17784 1 1408 . 1 1 122 122 ASP HB2 H 1 2.739 0.020 . 2 . . . A 122 ASP HB2 . 17784 1 1409 . 1 1 122 122 ASP HB3 H 1 2.651 0.020 . 2 . . . A 122 ASP HB3 . 17784 1 1410 . 1 1 122 122 ASP C C 13 178.242 0.3 . 1 . . . A 122 ASP C . 17784 1 1411 . 1 1 122 122 ASP CA C 13 54.115 0.3 . 1 . . . A 122 ASP CA . 17784 1 1412 . 1 1 122 122 ASP CB C 13 42.831 0.3 . 1 . . . A 122 ASP CB . 17784 1 1413 . 1 1 122 122 ASP N N 15 118.514 0.3 . 1 . . . A 122 ASP N . 17784 1 1414 . 1 1 123 123 THR H H 1 8.475 0.020 . 1 . . . A 123 THR H . 17784 1 1415 . 1 1 123 123 THR HA H 1 3.587 0.020 . 1 . . . A 123 THR HA . 17784 1 1416 . 1 1 123 123 THR HB H 1 4.043 0.020 . 1 . . . A 123 THR HB . 17784 1 1417 . 1 1 123 123 THR HG21 H 1 1.103 0.020 . 1 . . . A 123 THR HG21 . 17784 1 1418 . 1 1 123 123 THR HG22 H 1 1.103 0.020 . 1 . . . A 123 THR HG22 . 17784 1 1419 . 1 1 123 123 THR HG23 H 1 1.103 0.020 . 1 . . . A 123 THR HG23 . 17784 1 1420 . 1 1 123 123 THR C C 13 176.517 0.3 . 1 . . . A 123 THR C . 17784 1 1421 . 1 1 123 123 THR CA C 13 67.116 0.3 . 1 . . . A 123 THR CA . 17784 1 1422 . 1 1 123 123 THR CB C 13 68.163 0.3 . 1 . . . A 123 THR CB . 17784 1 1423 . 1 1 123 123 THR CG2 C 13 22.994 0.3 . 1 . . . A 123 THR CG2 . 17784 1 1424 . 1 1 123 123 THR N N 15 118.509 0.3 . 1 . . . A 123 THR N . 17784 1 1425 . 1 1 124 124 SER H H 1 8.469 0.020 . 1 . . . A 124 SER H . 17784 1 1426 . 1 1 124 124 SER HA H 1 4.191 0.020 . 1 . . . A 124 SER HA . 17784 1 1427 . 1 1 124 124 SER HB2 H 1 3.906 0.020 . 1 . . . A 124 SER HB2 . 17784 1 1428 . 1 1 124 124 SER HB3 H 1 3.906 0.020 . 1 . . . A 124 SER HB3 . 17784 1 1429 . 1 1 124 124 SER C C 13 176.250 0.3 . 1 . . . A 124 SER C . 17784 1 1430 . 1 1 124 124 SER CA C 13 61.223 0.3 . 1 . . . A 124 SER CA . 17784 1 1431 . 1 1 124 124 SER CB C 13 62.415 0.3 . 1 . . . A 124 SER CB . 17784 1 1432 . 1 1 124 124 SER N N 15 115.600 0.3 . 1 . . . A 124 SER N . 17784 1 1433 . 1 1 125 125 GLU H H 1 7.658 0.020 . 1 . . . A 125 GLU H . 17784 1 1434 . 1 1 125 125 GLU HA H 1 4.258 0.020 . 1 . . . A 125 GLU HA . 17784 1 1435 . 1 1 125 125 GLU HB2 H 1 2.190 0.020 . 2 . . . A 125 GLU HB2 . 17784 1 1436 . 1 1 125 125 GLU HB3 H 1 2.043 0.020 . 2 . . . A 125 GLU HB3 . 17784 1 1437 . 1 1 125 125 GLU HG2 H 1 2.295 0.020 . 2 . . . A 125 GLU HG2 . 17784 1 1438 . 1 1 125 125 GLU HG3 H 1 2.217 0.020 . 2 . . . A 125 GLU HG3 . 17784 1 1439 . 1 1 125 125 GLU C C 13 178.344 0.3 . 1 . . . A 125 GLU C . 17784 1 1440 . 1 1 125 125 GLU CA C 13 58.119 0.3 . 1 . . . A 125 GLU CA . 17784 1 1441 . 1 1 125 125 GLU CB C 13 29.569 0.3 . 1 . . . A 125 GLU CB . 17784 1 1442 . 1 1 125 125 GLU CG C 13 36.587 0.3 . 1 . . . A 125 GLU CG . 17784 1 1443 . 1 1 125 125 GLU N N 15 122.460 0.3 . 1 . . . A 125 GLU N . 17784 1 1444 . 1 1 126 126 VAL H H 1 7.615 0.020 . 1 . . . A 126 VAL H . 17784 1 1445 . 1 1 126 126 VAL HA H 1 3.328 0.020 . 1 . . . A 126 VAL HA . 17784 1 1446 . 1 1 126 126 VAL HB H 1 2.253 0.020 . 1 . . . A 126 VAL HB . 17784 1 1447 . 1 1 126 126 VAL HG11 H 1 0.890 0.020 . 1 . . . A 126 VAL HG11 . 17784 1 1448 . 1 1 126 126 VAL HG12 H 1 0.890 0.020 . 1 . . . A 126 VAL HG12 . 17784 1 1449 . 1 1 126 126 VAL HG13 H 1 0.890 0.020 . 1 . . . A 126 VAL HG13 . 17784 1 1450 . 1 1 126 126 VAL HG21 H 1 0.858 0.020 . 1 . . . A 126 VAL HG21 . 17784 1 1451 . 1 1 126 126 VAL HG22 H 1 0.858 0.020 . 1 . . . A 126 VAL HG22 . 17784 1 1452 . 1 1 126 126 VAL HG23 H 1 0.858 0.020 . 1 . . . A 126 VAL HG23 . 17784 1 1453 . 1 1 126 126 VAL C C 13 177.025 0.3 . 1 . . . A 126 VAL C . 17784 1 1454 . 1 1 126 126 VAL CA C 13 67.909 0.3 . 1 . . . A 126 VAL CA . 17784 1 1455 . 1 1 126 126 VAL CB C 13 31.310 0.3 . 1 . . . A 126 VAL CB . 17784 1 1456 . 1 1 126 126 VAL CG1 C 13 23.358 0.3 . 1 . . . A 126 VAL CG1 . 17784 1 1457 . 1 1 126 126 VAL CG2 C 13 21.371 0.3 . 1 . . . A 126 VAL CG2 . 17784 1 1458 . 1 1 126 126 VAL N N 15 119.223 0.3 . 1 . . . A 126 VAL N . 17784 1 1459 . 1 1 127 127 GLU H H 1 7.890 0.020 . 1 . . . A 127 GLU H . 17784 1 1460 . 1 1 127 127 GLU HA H 1 4.002 0.020 . 1 . . . A 127 GLU HA . 17784 1 1461 . 1 1 127 127 GLU HB2 H 1 2.028 0.020 . 2 . . . A 127 GLU HB2 . 17784 1 1462 . 1 1 127 127 GLU HB3 H 1 2.148 0.020 . 2 . . . A 127 GLU HB3 . 17784 1 1463 . 1 1 127 127 GLU HG2 H 1 2.149 0.020 . 2 . . . A 127 GLU HG2 . 17784 1 1464 . 1 1 127 127 GLU HG3 H 1 2.342 0.020 . 2 . . . A 127 GLU HG3 . 17784 1 1465 . 1 1 127 127 GLU C C 13 179.487 0.3 . 1 . . . A 127 GLU C . 17784 1 1466 . 1 1 127 127 GLU CA C 13 59.853 0.3 . 1 . . . A 127 GLU CA . 17784 1 1467 . 1 1 127 127 GLU CB C 13 29.248 0.3 . 1 . . . A 127 GLU CB . 17784 1 1468 . 1 1 127 127 GLU CG C 13 36.262 0.3 . 1 . . . A 127 GLU CG . 17784 1 1469 . 1 1 127 127 GLU N N 15 116.926 0.3 . 1 . . . A 127 GLU N . 17784 1 1470 . 1 1 128 128 THR H H 1 7.698 0.020 . 1 . . . A 128 THR H . 17784 1 1471 . 1 1 128 128 THR HA H 1 3.939 0.020 . 1 . . . A 128 THR HA . 17784 1 1472 . 1 1 128 128 THR HB H 1 4.256 0.020 . 1 . . . A 128 THR HB . 17784 1 1473 . 1 1 128 128 THR HG21 H 1 1.231 0.020 . 1 . . . A 128 THR HG21 . 17784 1 1474 . 1 1 128 128 THR HG22 H 1 1.231 0.020 . 1 . . . A 128 THR HG22 . 17784 1 1475 . 1 1 128 128 THR HG23 H 1 1.231 0.020 . 1 . . . A 128 THR HG23 . 17784 1 1476 . 1 1 128 128 THR C C 13 176.124 0.3 . 1 . . . A 128 THR C . 17784 1 1477 . 1 1 128 128 THR CA C 13 66.483 0.3 . 1 . . . A 128 THR CA . 17784 1 1478 . 1 1 128 128 THR CB C 13 68.625 0.3 . 1 . . . A 128 THR CB . 17784 1 1479 . 1 1 128 128 THR CG2 C 13 22.143 0.3 . 1 . . . A 128 THR CG2 . 17784 1 1480 . 1 1 128 128 THR N N 15 116.864 0.3 . 1 . . . A 128 THR N . 17784 1 1481 . 1 1 129 129 LEU H H 1 8.439 0.020 . 1 . . . A 129 LEU H . 17784 1 1482 . 1 1 129 129 LEU HA H 1 4.022 0.020 . 1 . . . A 129 LEU HA . 17784 1 1483 . 1 1 129 129 LEU HB2 H 1 1.691 0.020 . 2 . . . A 129 LEU HB2 . 17784 1 1484 . 1 1 129 129 LEU HB3 H 1 1.555 0.020 . 2 . . . A 129 LEU HB3 . 17784 1 1485 . 1 1 129 129 LEU HG H 1 1.639 0.020 . 1 . . . A 129 LEU HG . 17784 1 1486 . 1 1 129 129 LEU HD11 H 1 0.708 0.020 . 1 . . . A 129 LEU HD11 . 17784 1 1487 . 1 1 129 129 LEU HD12 H 1 0.708 0.020 . 1 . . . A 129 LEU HD12 . 17784 1 1488 . 1 1 129 129 LEU HD13 H 1 0.708 0.020 . 1 . . . A 129 LEU HD13 . 17784 1 1489 . 1 1 129 129 LEU HD21 H 1 0.789 0.020 . 1 . . . A 129 LEU HD21 . 17784 1 1490 . 1 1 129 129 LEU HD22 H 1 0.789 0.020 . 1 . . . A 129 LEU HD22 . 17784 1 1491 . 1 1 129 129 LEU HD23 H 1 0.789 0.020 . 1 . . . A 129 LEU HD23 . 17784 1 1492 . 1 1 129 129 LEU CA C 13 57.996 0.3 . 1 . . . A 129 LEU CA . 17784 1 1493 . 1 1 129 129 LEU CB C 13 42.173 0.3 . 1 . . . A 129 LEU CB . 17784 1 1494 . 1 1 129 129 LEU CG C 13 26.827 0.3 . 1 . . . A 129 LEU CG . 17784 1 1495 . 1 1 129 129 LEU CD1 C 13 26.008 0.3 . 1 . . . A 129 LEU CD1 . 17784 1 1496 . 1 1 129 129 LEU CD2 C 13 22.761 0.3 . 1 . . . A 129 LEU CD2 . 17784 1 1497 . 1 1 129 129 LEU N N 15 122.842 0.3 . 1 . . . A 129 LEU N . 17784 1 1498 . 1 1 130 130 VAL H H 1 8.448 0.020 . 1 . . . A 130 VAL H . 17784 1 1499 . 1 1 130 130 VAL HA H 1 3.473 0.020 . 1 . . . A 130 VAL HA . 17784 1 1500 . 1 1 130 130 VAL HB H 1 2.163 0.020 . 1 . . . A 130 VAL HB . 17784 1 1501 . 1 1 130 130 VAL HG11 H 1 0.915 0.020 . 1 . . . A 130 VAL HG11 . 17784 1 1502 . 1 1 130 130 VAL HG12 H 1 0.915 0.020 . 1 . . . A 130 VAL HG12 . 17784 1 1503 . 1 1 130 130 VAL HG13 H 1 0.915 0.020 . 1 . . . A 130 VAL HG13 . 17784 1 1504 . 1 1 130 130 VAL HG21 H 1 0.923 0.020 . 1 . . . A 130 VAL HG21 . 17784 1 1505 . 1 1 130 130 VAL HG22 H 1 0.923 0.020 . 1 . . . A 130 VAL HG22 . 17784 1 1506 . 1 1 130 130 VAL HG23 H 1 0.923 0.020 . 1 . . . A 130 VAL HG23 . 17784 1 1507 . 1 1 130 130 VAL C C 13 177.491 0.3 . 1 . . . A 130 VAL C . 17784 1 1508 . 1 1 130 130 VAL CA C 13 67.591 0.3 . 1 . . . A 130 VAL CA . 17784 1 1509 . 1 1 130 130 VAL CB C 13 31.490 0.3 . 1 . . . A 130 VAL CB . 17784 1 1510 . 1 1 130 130 VAL CG1 C 13 23.930 0.3 . 1 . . . A 130 VAL CG1 . 17784 1 1511 . 1 1 130 130 VAL CG2 C 13 21.532 0.3 . 1 . . . A 130 VAL CG2 . 17784 1 1512 . 1 1 130 130 VAL N N 15 119.665 0.3 . 1 . . . A 130 VAL N . 17784 1 1513 . 1 1 131 131 THR H H 1 8.180 0.020 . 1 . . . A 131 THR H . 17784 1 1514 . 1 1 131 131 THR HA H 1 3.839 0.020 . 1 . . . A 131 THR HA . 17784 1 1515 . 1 1 131 131 THR HB H 1 4.369 0.020 . 1 . . . A 131 THR HB . 17784 1 1516 . 1 1 131 131 THR HG21 H 1 1.269 0.020 . 1 . . . A 131 THR HG21 . 17784 1 1517 . 1 1 131 131 THR HG22 H 1 1.269 0.020 . 1 . . . A 131 THR HG22 . 17784 1 1518 . 1 1 131 131 THR HG23 H 1 1.269 0.020 . 1 . . . A 131 THR HG23 . 17784 1 1519 . 1 1 131 131 THR CA C 13 67.282 0.3 . 1 . . . A 131 THR CA . 17784 1 1520 . 1 1 131 131 THR CB C 13 68.490 0.3 . 1 . . . A 131 THR CB . 17784 1 1521 . 1 1 131 131 THR CG2 C 13 21.831 0.3 . 1 . . . A 131 THR CG2 . 17784 1 1522 . 1 1 131 131 THR N N 15 116.355 0.3 . 1 . . . A 131 THR N . 17784 1 1523 . 1 1 132 132 GLU H H 1 8.317 0.020 . 1 . . . A 132 GLU H . 17784 1 1524 . 1 1 132 132 GLU HA H 1 4.086 0.020 . 1 . . . A 132 GLU HA . 17784 1 1525 . 1 1 132 132 GLU HB2 H 1 2.200 0.020 . 2 . . . A 132 GLU HB2 . 17784 1 1526 . 1 1 132 132 GLU HB3 H 1 2.148 0.020 . 2 . . . A 132 GLU HB3 . 17784 1 1527 . 1 1 132 132 GLU HG2 H 1 2.247 0.020 . 2 . . . A 132 GLU HG2 . 17784 1 1528 . 1 1 132 132 GLU HG3 H 1 2.478 0.020 . 2 . . . A 132 GLU HG3 . 17784 1 1529 . 1 1 132 132 GLU C C 13 177.003 0.3 . 1 . . . A 132 GLU C . 17784 1 1530 . 1 1 132 132 GLU CA C 13 59.452 0.3 . 1 . . . A 132 GLU CA . 17784 1 1531 . 1 1 132 132 GLU CB C 13 29.247 0.3 . 1 . . . A 132 GLU CB . 17784 1 1532 . 1 1 132 132 GLU CG C 13 36.414 0.3 . 1 . . . A 132 GLU CG . 17784 1 1533 . 1 1 132 132 GLU N N 15 121.882 0.3 . 1 . . . A 132 GLU N . 17784 1 1534 . 1 1 133 133 ALA H H 1 8.125 0.020 . 1 . . . A 133 ALA H . 17784 1 1535 . 1 1 133 133 ALA HA H 1 4.179 0.020 . 1 . . . A 133 ALA HA . 17784 1 1536 . 1 1 133 133 ALA HB1 H 1 1.632 0.020 . 1 . . . A 133 ALA HB1 . 17784 1 1537 . 1 1 133 133 ALA HB2 H 1 1.632 0.020 . 1 . . . A 133 ALA HB2 . 17784 1 1538 . 1 1 133 133 ALA HB3 H 1 1.632 0.020 . 1 . . . A 133 ALA HB3 . 17784 1 1539 . 1 1 133 133 ALA C C 13 180.131 0.3 . 1 . . . A 133 ALA C . 17784 1 1540 . 1 1 133 133 ALA CA C 13 55.354 0.3 . 1 . . . A 133 ALA CA . 17784 1 1541 . 1 1 133 133 ALA CB C 13 19.886 0.3 . 1 . . . A 133 ALA CB . 17784 1 1542 . 1 1 133 133 ALA N N 15 123.361 0.3 . 1 . . . A 133 ALA N . 17784 1 1543 . 1 1 134 134 LEU H H 1 8.497 0.020 . 1 . . . A 134 LEU H . 17784 1 1544 . 1 1 134 134 LEU HA H 1 3.998 0.020 . 1 . . . A 134 LEU HA . 17784 1 1545 . 1 1 134 134 LEU HB2 H 1 1.494 0.020 . 2 . . . A 134 LEU HB2 . 17784 1 1546 . 1 1 134 134 LEU HB3 H 1 1.925 0.020 . 2 . . . A 134 LEU HB3 . 17784 1 1547 . 1 1 134 134 LEU HG H 1 1.887 0.020 . 1 . . . A 134 LEU HG . 17784 1 1548 . 1 1 134 134 LEU HD11 H 1 0.806 0.020 . 1 . . . A 134 LEU HD11 . 17784 1 1549 . 1 1 134 134 LEU HD12 H 1 0.806 0.020 . 1 . . . A 134 LEU HD12 . 17784 1 1550 . 1 1 134 134 LEU HD13 H 1 0.806 0.020 . 1 . . . A 134 LEU HD13 . 17784 1 1551 . 1 1 134 134 LEU HD21 H 1 0.851 0.020 . 1 . . . A 134 LEU HD21 . 17784 1 1552 . 1 1 134 134 LEU HD22 H 1 0.851 0.020 . 1 . . . A 134 LEU HD22 . 17784 1 1553 . 1 1 134 134 LEU HD23 H 1 0.851 0.020 . 1 . . . A 134 LEU HD23 . 17784 1 1554 . 1 1 134 134 LEU C C 13 179.663 0.3 . 1 . . . A 134 LEU C . 17784 1 1555 . 1 1 134 134 LEU CA C 13 57.583 0.3 . 1 . . . A 134 LEU CA . 17784 1 1556 . 1 1 134 134 LEU CB C 13 41.334 0.3 . 1 . . . A 134 LEU CB . 17784 1 1557 . 1 1 134 134 LEU CG C 13 26.774 0.3 . 1 . . . A 134 LEU CG . 17784 1 1558 . 1 1 134 134 LEU CD1 C 13 22.946 0.3 . 1 . . . A 134 LEU CD1 . 17784 1 1559 . 1 1 134 134 LEU CD2 C 13 25.898 0.3 . 1 . . . A 134 LEU CD2 . 17784 1 1560 . 1 1 134 134 LEU N N 15 116.750 0.3 . 1 . . . A 134 LEU N . 17784 1 1561 . 1 1 135 135 ALA H H 1 8.027 0.020 . 1 . . . A 135 ALA H . 17784 1 1562 . 1 1 135 135 ALA HA H 1 4.207 0.020 . 1 . . . A 135 ALA HA . 17784 1 1563 . 1 1 135 135 ALA HB1 H 1 1.539 0.020 . 1 . . . A 135 ALA HB1 . 17784 1 1564 . 1 1 135 135 ALA HB2 H 1 1.539 0.020 . 1 . . . A 135 ALA HB2 . 17784 1 1565 . 1 1 135 135 ALA HB3 H 1 1.539 0.020 . 1 . . . A 135 ALA HB3 . 17784 1 1566 . 1 1 135 135 ALA C C 13 180.454 0.3 . 1 . . . A 135 ALA C . 17784 1 1567 . 1 1 135 135 ALA CA C 13 54.831 0.3 . 1 . . . A 135 ALA CA . 17784 1 1568 . 1 1 135 135 ALA CB C 13 17.922 0.3 . 1 . . . A 135 ALA CB . 17784 1 1569 . 1 1 135 135 ALA N N 15 122.299 0.3 . 1 . . . A 135 ALA N . 17784 1 1570 . 1 1 136 136 GLU H H 1 7.943 0.020 . 1 . . . A 136 GLU H . 17784 1 1571 . 1 1 136 136 GLU HA H 1 4.184 0.020 . 1 . . . A 136 GLU HA . 17784 1 1572 . 1 1 136 136 GLU HB2 H 1 2.229 0.020 . 2 . . . A 136 GLU HB2 . 17784 1 1573 . 1 1 136 136 GLU HB3 H 1 2.172 0.020 . 2 . . . A 136 GLU HB3 . 17784 1 1574 . 1 1 136 136 GLU HG2 H 1 2.304 0.020 . 2 . . . A 136 GLU HG2 . 17784 1 1575 . 1 1 136 136 GLU HG3 H 1 2.389 0.020 . 2 . . . A 136 GLU HG3 . 17784 1 1576 . 1 1 136 136 GLU C C 13 179.003 0.3 . 1 . . . A 136 GLU C . 17784 1 1577 . 1 1 136 136 GLU CA C 13 58.546 0.3 . 1 . . . A 136 GLU CA . 17784 1 1578 . 1 1 136 136 GLU CB C 13 29.330 0.3 . 1 . . . A 136 GLU CB . 17784 1 1579 . 1 1 136 136 GLU CG C 13 35.766 0.3 . 1 . . . A 136 GLU CG . 17784 1 1580 . 1 1 136 136 GLU N N 15 119.193 0.3 . 1 . . . A 136 GLU N . 17784 1 1581 . 1 1 137 137 ILE H H 1 7.908 0.020 . 1 . . . A 137 ILE H . 17784 1 1582 . 1 1 137 137 ILE HA H 1 3.712 0.020 . 1 . . . A 137 ILE HA . 17784 1 1583 . 1 1 137 137 ILE HB H 1 1.968 0.020 . 1 . . . A 137 ILE HB . 17784 1 1584 . 1 1 137 137 ILE HG12 H 1 1.733 0.020 . 2 . . . A 137 ILE HG12 . 17784 1 1585 . 1 1 137 137 ILE HG13 H 1 1.052 0.020 . 2 . . . A 137 ILE HG13 . 17784 1 1586 . 1 1 137 137 ILE HG21 H 1 0.901 0.020 . 1 . . . A 137 ILE HG21 . 17784 1 1587 . 1 1 137 137 ILE HG22 H 1 0.901 0.020 . 1 . . . A 137 ILE HG22 . 17784 1 1588 . 1 1 137 137 ILE HG23 H 1 0.901 0.020 . 1 . . . A 137 ILE HG23 . 17784 1 1589 . 1 1 137 137 ILE HD11 H 1 0.808 0.020 . 1 . . . A 137 ILE HD11 . 17784 1 1590 . 1 1 137 137 ILE HD12 H 1 0.808 0.020 . 1 . . . A 137 ILE HD12 . 17784 1 1591 . 1 1 137 137 ILE HD13 H 1 0.808 0.020 . 1 . . . A 137 ILE HD13 . 17784 1 1592 . 1 1 137 137 ILE C C 13 177.681 0.3 . 1 . . . A 137 ILE C . 17784 1 1593 . 1 1 137 137 ILE CA C 13 64.879 0.3 . 1 . . . A 137 ILE CA . 17784 1 1594 . 1 1 137 137 ILE CB C 13 37.929 0.3 . 1 . . . A 137 ILE CB . 17784 1 1595 . 1 1 137 137 ILE CG1 C 13 29.274 0.3 . 1 . . . A 137 ILE CG1 . 17784 1 1596 . 1 1 137 137 ILE CG2 C 13 17.424 0.3 . 1 . . . A 137 ILE CG2 . 17784 1 1597 . 1 1 137 137 ILE CD1 C 13 13.505 0.3 . 1 . . . A 137 ILE CD1 . 17784 1 1598 . 1 1 137 137 ILE N N 15 119.392 0.3 . 1 . . . A 137 ILE N . 17784 1 1599 . 1 1 139 139 LYS H H 1 7.849 0.020 . 1 . . . A 139 LYS H . 17784 1 1600 . 1 1 139 139 LYS HA H 1 4.028 0.020 . 1 . . . A 139 LYS HA . 17784 1 1601 . 1 1 139 139 LYS HB2 H 1 1.922 0.020 . 1 . . . A 139 LYS HB2 . 17784 1 1602 . 1 1 139 139 LYS HB3 H 1 1.922 0.020 . 1 . . . A 139 LYS HB3 . 17784 1 1603 . 1 1 139 139 LYS HG2 H 1 1.411 0.020 . 2 . . . A 139 LYS HG2 . 17784 1 1604 . 1 1 139 139 LYS HG3 H 1 1.585 0.020 . 2 . . . A 139 LYS HG3 . 17784 1 1605 . 1 1 139 139 LYS HD2 H 1 1.700 0.020 . 1 . . . A 139 LYS HD2 . 17784 1 1606 . 1 1 139 139 LYS HD3 H 1 1.700 0.020 . 1 . . . A 139 LYS HD3 . 17784 1 1607 . 1 1 139 139 LYS HE2 H 1 2.933 0.020 . 1 . . . A 139 LYS HE2 . 17784 1 1608 . 1 1 139 139 LYS HE3 H 1 2.933 0.020 . 1 . . . A 139 LYS HE3 . 17784 1 1609 . 1 1 139 139 LYS C C 13 178.523 0.3 . 1 . . . A 139 LYS C . 17784 1 1610 . 1 1 139 139 LYS CA C 13 58.839 0.3 . 1 . . . A 139 LYS CA . 17784 1 1611 . 1 1 139 139 LYS CB C 13 32.704 0.3 . 1 . . . A 139 LYS CB . 17784 1 1612 . 1 1 139 139 LYS CG C 13 25.131 0.3 . 1 . . . A 139 LYS CG . 17784 1 1613 . 1 1 139 139 LYS CD C 13 29.539 0.3 . 1 . . . A 139 LYS CD . 17784 1 1614 . 1 1 139 139 LYS CE C 13 42.097 0.3 . 1 . . . A 139 LYS CE . 17784 1 1615 . 1 1 139 139 LYS N N 15 119.181 0.3 . 1 . . . A 139 LYS N . 17784 1 1616 . 1 1 140 140 GLN H H 1 8.051 0.020 . 1 . . . A 140 GLN H . 17784 1 1617 . 1 1 140 140 GLN HA H 1 4.223 0.020 . 1 . . . A 140 GLN HA . 17784 1 1618 . 1 1 140 140 GLN HB2 H 1 2.097 0.020 . 2 . . . A 140 GLN HB2 . 17784 1 1619 . 1 1 140 140 GLN HB3 H 1 2.194 0.020 . 2 . . . A 140 GLN HB3 . 17784 1 1620 . 1 1 140 140 GLN HG2 H 1 2.439 0.020 . 2 . . . A 140 GLN HG2 . 17784 1 1621 . 1 1 140 140 GLN HG3 H 1 2.528 0.020 . 2 . . . A 140 GLN HG3 . 17784 1 1622 . 1 1 140 140 GLN HE21 H 1 6.832 0.020 . 1 . . . A 140 GLN HE21 . 17784 1 1623 . 1 1 140 140 GLN HE22 H 1 7.705 0.020 . 1 . . . A 140 GLN HE22 . 17784 1 1624 . 1 1 140 140 GLN C C 13 176.396 0.3 . 1 . . . A 140 GLN C . 17784 1 1625 . 1 1 140 140 GLN CA C 13 57.173 0.3 . 1 . . . A 140 GLN CA . 17784 1 1626 . 1 1 140 140 GLN CB C 13 29.214 0.3 . 1 . . . A 140 GLN CB . 17784 1 1627 . 1 1 140 140 GLN CG C 13 33.765 0.3 . 1 . . . A 140 GLN CG . 17784 1 1628 . 1 1 140 140 GLN N N 15 118.425 0.3 . 1 . . . A 140 GLN N . 17784 1 1629 . 1 1 140 140 GLN NE2 N 15 111.445 0.3 . 1 . . . A 140 GLN NE2 . 17784 1 1630 . 1 1 141 141 THR H H 1 8.129 0.020 . 1 . . . A 141 THR H . 17784 1 1631 . 1 1 141 141 THR HA H 1 4.102 0.020 . 1 . . . A 141 THR HA . 17784 1 1632 . 1 1 141 141 THR HB H 1 4.272 0.020 . 1 . . . A 141 THR HB . 17784 1 1633 . 1 1 141 141 THR HG21 H 1 1.195 0.020 . 1 . . . A 141 THR HG21 . 17784 1 1634 . 1 1 141 141 THR HG22 H 1 1.195 0.020 . 1 . . . A 141 THR HG22 . 17784 1 1635 . 1 1 141 141 THR HG23 H 1 1.195 0.020 . 1 . . . A 141 THR HG23 . 17784 1 1636 . 1 1 141 141 THR C C 13 175.531 0.3 . 1 . . . A 141 THR C . 17784 1 1637 . 1 1 141 141 THR CA C 13 64.179 0.3 . 1 . . . A 141 THR CA . 17784 1 1638 . 1 1 141 141 THR CB C 13 69.315 0.3 . 1 . . . A 141 THR CB . 17784 1 1639 . 1 1 141 141 THR CG2 C 13 21.547 0.3 . 1 . . . A 141 THR CG2 . 17784 1 1640 . 1 1 141 141 THR N N 15 114.618 0.3 . 1 . . . A 141 THR N . 17784 1 1641 . 1 1 142 142 ARG H H 1 8.087 0.020 . 1 . . . A 142 ARG H . 17784 1 1642 . 1 1 142 142 ARG HA H 1 4.210 0.020 . 1 . . . A 142 ARG HA . 17784 1 1643 . 1 1 142 142 ARG HB2 H 1 1.825 0.020 . 1 . . . A 142 ARG HB2 . 17784 1 1644 . 1 1 142 142 ARG HB3 H 1 1.825 0.020 . 1 . . . A 142 ARG HB3 . 17784 1 1645 . 1 1 142 142 ARG HG2 H 1 1.644 0.020 . 2 . . . A 142 ARG HG2 . 17784 1 1646 . 1 1 142 142 ARG HG3 H 1 1.704 0.020 . 2 . . . A 142 ARG HG3 . 17784 1 1647 . 1 1 142 142 ARG HD2 H 1 3.167 0.020 . 1 . . . A 142 ARG HD2 . 17784 1 1648 . 1 1 142 142 ARG HD3 H 1 3.167 0.020 . 1 . . . A 142 ARG HD3 . 17784 1 1649 . 1 1 142 142 ARG C C 13 176.918 0.3 . 1 . . . A 142 ARG C . 17784 1 1650 . 1 1 142 142 ARG CA C 13 57.224 0.3 . 1 . . . A 142 ARG CA . 17784 1 1651 . 1 1 142 142 ARG CB C 13 30.317 0.3 . 1 . . . A 142 ARG CB . 17784 1 1652 . 1 1 142 142 ARG CG C 13 27.178 0.3 . 1 . . . A 142 ARG CG . 17784 1 1653 . 1 1 142 142 ARG CD C 13 43.362 0.3 . 1 . . . A 142 ARG CD . 17784 1 1654 . 1 1 142 142 ARG N N 15 121.998 0.3 . 1 . . . A 142 ARG N . 17784 1 1655 . 1 1 143 143 ALA H H 1 7.923 0.020 . 1 . . . A 143 ALA H . 17784 1 1656 . 1 1 143 143 ALA HA H 1 4.207 0.020 . 1 . . . A 143 ALA HA . 17784 1 1657 . 1 1 143 143 ALA HB1 H 1 1.407 0.020 . 1 . . . A 143 ALA HB1 . 17784 1 1658 . 1 1 143 143 ALA HB2 H 1 1.407 0.020 . 1 . . . A 143 ALA HB2 . 17784 1 1659 . 1 1 143 143 ALA HB3 H 1 1.407 0.020 . 1 . . . A 143 ALA HB3 . 17784 1 1660 . 1 1 143 143 ALA C C 13 178.376 0.3 . 1 . . . A 143 ALA C . 17784 1 1661 . 1 1 143 143 ALA CA C 13 53.303 0.3 . 1 . . . A 143 ALA CA . 17784 1 1662 . 1 1 143 143 ALA CB C 13 18.612 0.3 . 1 . . . A 143 ALA CB . 17784 1 1663 . 1 1 143 143 ALA N N 15 122.684 0.3 . 1 . . . A 143 ALA N . 17784 1 1664 . 1 1 144 144 LEU H H 1 7.876 0.020 . 1 . . . A 144 LEU H . 17784 1 1665 . 1 1 144 144 LEU HA H 1 4.234 0.020 . 1 . . . A 144 LEU HA . 17784 1 1666 . 1 1 144 144 LEU HB2 H 1 1.576 0.020 . 2 . . . A 144 LEU HB2 . 17784 1 1667 . 1 1 144 144 LEU HB3 H 1 1.698 0.020 . 2 . . . A 144 LEU HB3 . 17784 1 1668 . 1 1 144 144 LEU HG H 1 1.678 0.020 . 1 . . . A 144 LEU HG . 17784 1 1669 . 1 1 144 144 LEU HD11 H 1 0.891 0.020 . 1 . . . A 144 LEU HD11 . 17784 1 1670 . 1 1 144 144 LEU HD12 H 1 0.891 0.020 . 1 . . . A 144 LEU HD12 . 17784 1 1671 . 1 1 144 144 LEU HD13 H 1 0.891 0.020 . 1 . . . A 144 LEU HD13 . 17784 1 1672 . 1 1 144 144 LEU HD21 H 1 0.838 0.020 . 1 . . . A 144 LEU HD21 . 17784 1 1673 . 1 1 144 144 LEU HD22 H 1 0.838 0.020 . 1 . . . A 144 LEU HD22 . 17784 1 1674 . 1 1 144 144 LEU HD23 H 1 0.838 0.020 . 1 . . . A 144 LEU HD23 . 17784 1 1675 . 1 1 144 144 LEU C C 13 177.683 0.3 . 1 . . . A 144 LEU C . 17784 1 1676 . 1 1 144 144 LEU CA C 13 55.597 0.3 . 1 . . . A 144 LEU CA . 17784 1 1677 . 1 1 144 144 LEU CB C 13 42.169 0.3 . 1 . . . A 144 LEU CB . 17784 1 1678 . 1 1 144 144 LEU CG C 13 26.913 0.3 . 1 . . . A 144 LEU CG . 17784 1 1679 . 1 1 144 144 LEU CD1 C 13 25.093 0.3 . 1 . . . A 144 LEU CD1 . 17784 1 1680 . 1 1 144 144 LEU CD2 C 13 23.329 0.3 . 1 . . . A 144 LEU CD2 . 17784 1 1681 . 1 1 144 144 LEU N N 15 119.264 0.3 . 1 . . . A 144 LEU N . 17784 1 1682 . 1 1 145 145 GLU H H 1 8.010 0.020 . 1 . . . A 145 GLU H . 17784 1 1683 . 1 1 145 145 GLU HA H 1 4.213 0.020 . 1 . . . A 145 GLU HA . 17784 1 1684 . 1 1 145 145 GLU HB2 H 1 1.962 0.020 . 2 . . . A 145 GLU HB2 . 17784 1 1685 . 1 1 145 145 GLU HB3 H 1 2.014 0.020 . 2 . . . A 145 GLU HB3 . 17784 1 1686 . 1 1 145 145 GLU HG2 H 1 2.198 0.020 . 2 . . . A 145 GLU HG2 . 17784 1 1687 . 1 1 145 145 GLU HG3 H 1 2.284 0.020 . 2 . . . A 145 GLU HG3 . 17784 1 1688 . 1 1 145 145 GLU C C 13 176.378 0.3 . 1 . . . A 145 GLU C . 17784 1 1689 . 1 1 145 145 GLU CA C 13 56.713 0.3 . 1 . . . A 145 GLU CA . 17784 1 1690 . 1 1 145 145 GLU CB C 13 30.119 0.3 . 1 . . . A 145 GLU CB . 17784 1 1691 . 1 1 145 145 GLU CG C 13 36.351 0.3 . 1 . . . A 145 GLU CG . 17784 1 1692 . 1 1 145 145 GLU N N 15 119.841 0.3 . 1 . . . A 145 GLU N . 17784 1 1693 . 1 1 146 146 LEU H H 1 7.962 0.020 . 1 . . . A 146 LEU H . 17784 1 1694 . 1 1 146 146 LEU HA H 1 4.297 0.020 . 1 . . . A 146 LEU HA . 17784 1 1695 . 1 1 146 146 LEU HB2 H 1 1.562 0.020 . 2 . . . A 146 LEU HB2 . 17784 1 1696 . 1 1 146 146 LEU HB3 H 1 1.648 0.020 . 2 . . . A 146 LEU HB3 . 17784 1 1697 . 1 1 146 146 LEU HG H 1 1.595 0.020 . 1 . . . A 146 LEU HG . 17784 1 1698 . 1 1 146 146 LEU HD11 H 1 0.884 0.020 . 1 . . . A 146 LEU HD11 . 17784 1 1699 . 1 1 146 146 LEU HD12 H 1 0.884 0.020 . 1 . . . A 146 LEU HD12 . 17784 1 1700 . 1 1 146 146 LEU HD13 H 1 0.884 0.020 . 1 . . . A 146 LEU HD13 . 17784 1 1701 . 1 1 146 146 LEU HD21 H 1 0.825 0.020 . 1 . . . A 146 LEU HD21 . 17784 1 1702 . 1 1 146 146 LEU HD22 H 1 0.825 0.020 . 1 . . . A 146 LEU HD22 . 17784 1 1703 . 1 1 146 146 LEU HD23 H 1 0.825 0.020 . 1 . . . A 146 LEU HD23 . 17784 1 1704 . 1 1 146 146 LEU C C 13 176.918 0.3 . 1 . . . A 146 LEU C . 17784 1 1705 . 1 1 146 146 LEU CA C 13 55.151 0.3 . 1 . . . A 146 LEU CA . 17784 1 1706 . 1 1 146 146 LEU CB C 13 42.301 0.3 . 1 . . . A 146 LEU CB . 17784 1 1707 . 1 1 146 146 LEU CG C 13 26.928 0.3 . 1 . . . A 146 LEU CG . 17784 1 1708 . 1 1 146 146 LEU CD1 C 13 25.106 0.3 . 1 . . . A 146 LEU CD1 . 17784 1 1709 . 1 1 146 146 LEU CD2 C 13 23.169 0.3 . 1 . . . A 146 LEU CD2 . 17784 1 1710 . 1 1 146 146 LEU N N 15 121.776 0.3 . 1 . . . A 146 LEU N . 17784 1 1711 . 1 1 147 147 VAL H H 1 7.815 0.020 . 1 . . . A 147 VAL H . 17784 1 1712 . 1 1 147 147 VAL HA H 1 4.353 0.020 . 1 . . . A 147 VAL HA . 17784 1 1713 . 1 1 147 147 VAL HB H 1 2.037 0.020 . 1 . . . A 147 VAL HB . 17784 1 1714 . 1 1 147 147 VAL HG11 H 1 0.908 0.020 . 1 . . . A 147 VAL HG11 . 17784 1 1715 . 1 1 147 147 VAL HG12 H 1 0.908 0.020 . 1 . . . A 147 VAL HG12 . 17784 1 1716 . 1 1 147 147 VAL HG13 H 1 0.908 0.020 . 1 . . . A 147 VAL HG13 . 17784 1 1717 . 1 1 147 147 VAL HG21 H 1 0.901 0.020 . 1 . . . A 147 VAL HG21 . 17784 1 1718 . 1 1 147 147 VAL HG22 H 1 0.901 0.020 . 1 . . . A 147 VAL HG22 . 17784 1 1719 . 1 1 147 147 VAL HG23 H 1 0.901 0.020 . 1 . . . A 147 VAL HG23 . 17784 1 1720 . 1 1 147 147 VAL C C 13 174.160 0.3 . 1 . . . A 147 VAL C . 17784 1 1721 . 1 1 147 147 VAL CA C 13 59.838 0.3 . 1 . . . A 147 VAL CA . 17784 1 1722 . 1 1 147 147 VAL CB C 13 32.598 0.3 . 1 . . . A 147 VAL CB . 17784 1 1723 . 1 1 147 147 VAL CG1 C 13 21.005 0.3 . 1 . . . A 147 VAL CG1 . 17784 1 1724 . 1 1 147 147 VAL CG2 C 13 20.510 0.3 . 1 . . . A 147 VAL CG2 . 17784 1 1725 . 1 1 147 147 VAL N N 15 121.369 0.3 . 1 . . . A 147 VAL N . 17784 1 1726 . 1 1 148 148 PRO HA H 1 4.376 0.020 . 1 . . . A 148 PRO HA . 17784 1 1727 . 1 1 148 148 PRO HB2 H 1 1.851 0.020 . 2 . . . A 148 PRO HB2 . 17784 1 1728 . 1 1 148 148 PRO HB3 H 1 2.250 0.020 . 2 . . . A 148 PRO HB3 . 17784 1 1729 . 1 1 148 148 PRO HG2 H 1 1.927 0.020 . 2 . . . A 148 PRO HG2 . 17784 1 1730 . 1 1 148 148 PRO HG3 H 1 2.012 0.020 . 2 . . . A 148 PRO HG3 . 17784 1 1731 . 1 1 148 148 PRO HD2 H 1 3.620 0.020 . 2 . . . A 148 PRO HD2 . 17784 1 1732 . 1 1 148 148 PRO HD3 H 1 3.830 0.020 . 2 . . . A 148 PRO HD3 . 17784 1 1733 . 1 1 148 148 PRO CA C 13 63.103 0.3 . 1 . . . A 148 PRO CA . 17784 1 1734 . 1 1 148 148 PRO CB C 13 32.014 0.3 . 1 . . . A 148 PRO CB . 17784 1 1735 . 1 1 148 148 PRO CG C 13 27.393 0.3 . 1 . . . A 148 PRO CG . 17784 1 1736 . 1 1 148 148 PRO CD C 13 50.935 0.3 . 1 . . . A 148 PRO CD . 17784 1 1737 . 1 1 149 149 ARG H H 1 8.445 0.020 . 1 . . . A 149 ARG H . 17784 1 1738 . 1 1 149 149 ARG HA H 1 4.378 0.020 . 1 . . . A 149 ARG HA . 17784 1 1739 . 1 1 149 149 ARG HB2 H 1 1.761 0.020 . 2 . . . A 149 ARG HB2 . 17784 1 1740 . 1 1 149 149 ARG HB3 H 1 1.831 0.020 . 2 . . . A 149 ARG HB3 . 17784 1 1741 . 1 1 149 149 ARG HD2 H 1 3.165 0.020 . 1 . . . A 149 ARG HD2 . 17784 1 1742 . 1 1 149 149 ARG HD3 H 1 3.165 0.020 . 1 . . . A 149 ARG HD3 . 17784 1 1743 . 1 1 149 149 ARG C C 13 176.995 0.3 . 1 . . . A 149 ARG C . 17784 1 1744 . 1 1 149 149 ARG CA C 13 56.347 0.3 . 1 . . . A 149 ARG CA . 17784 1 1745 . 1 1 149 149 ARG CB C 13 30.784 0.3 . 1 . . . A 149 ARG CB . 17784 1 1746 . 1 1 149 149 ARG CD C 13 43.325 0.3 . 1 . . . A 149 ARG CD . 17784 1 1747 . 1 1 149 149 ARG N N 15 121.846 0.3 . 1 . . . A 149 ARG N . 17784 1 1748 . 1 1 150 150 GLY H H 1 8.439 0.020 . 1 . . . A 150 GLY H . 17784 1 1749 . 1 1 150 150 GLY HA2 H 1 3.952 0.020 . 1 . . . A 150 GLY HA2 . 17784 1 1750 . 1 1 150 150 GLY HA3 H 1 3.952 0.020 . 1 . . . A 150 GLY HA3 . 17784 1 1751 . 1 1 150 150 GLY C C 13 174.014 0.3 . 1 . . . A 150 GLY C . 17784 1 1752 . 1 1 150 150 GLY CA C 13 45.088 0.3 . 1 . . . A 150 GLY CA . 17784 1 1753 . 1 1 150 150 GLY N N 15 109.882 0.3 . 1 . . . A 150 GLY N . 17784 1 1754 . 1 1 151 151 SER H H 1 8.149 0.020 . 1 . . . A 151 SER H . 17784 1 1755 . 1 1 151 151 SER HA H 1 4.454 0.020 . 1 . . . A 151 SER HA . 17784 1 1756 . 1 1 151 151 SER HB2 H 1 3.821 0.020 . 1 . . . A 151 SER HB2 . 17784 1 1757 . 1 1 151 151 SER HB3 H 1 3.821 0.020 . 1 . . . A 151 SER HB3 . 17784 1 1758 . 1 1 151 151 SER C C 13 174.617 0.3 . 1 . . . A 151 SER C . 17784 1 1759 . 1 1 151 151 SER CA C 13 58.269 0.3 . 1 . . . A 151 SER CA . 17784 1 1760 . 1 1 151 151 SER CB C 13 63.863 0.3 . 1 . . . A 151 SER CB . 17784 1 1761 . 1 1 151 151 SER N N 15 115.455 0.3 . 1 . . . A 151 SER N . 17784 1 1762 . 1 1 152 152 HIS H H 1 8.099 0.020 . 1 . . . A 152 HIS H . 17784 1 1763 . 1 1 152 152 HIS HA H 1 4.065 0.020 . 1 . . . A 152 HIS HA . 17784 1 1764 . 1 1 152 152 HIS HB2 H 1 2.015 0.020 . 1 . . . A 152 HIS HB2 . 17784 1 1765 . 1 1 152 152 HIS HB3 H 1 2.015 0.020 . 1 . . . A 152 HIS HB3 . 17784 1 1766 . 1 1 152 152 HIS C C 13 175.965 0.3 . 1 . . . A 152 HIS C . 17784 1 1767 . 1 1 152 152 HIS CA C 13 62.285 0.3 . 1 . . . A 152 HIS CA . 17784 1 1768 . 1 1 152 152 HIS CB C 13 32.655 0.3 . 1 . . . A 152 HIS CB . 17784 1 1769 . 1 1 152 152 HIS N N 15 121.149 0.3 . 1 . . . A 152 HIS N . 17784 1 1770 . 1 1 153 153 HIS H H 1 8.348 0.020 . 1 . . . A 153 HIS H . 17784 1 1771 . 1 1 153 153 HIS HA H 1 4.524 0.020 . 1 . . . A 153 HIS HA . 17784 1 1772 . 1 1 153 153 HIS HB2 H 1 2.935 0.020 . 2 . . . A 153 HIS HB2 . 17784 1 1773 . 1 1 153 153 HIS HB3 H 1 3.010 0.020 . 2 . . . A 153 HIS HB3 . 17784 1 1774 . 1 1 153 153 HIS C C 13 176.028 0.3 . 1 . . . A 153 HIS C . 17784 1 1775 . 1 1 153 153 HIS CA C 13 56.388 0.3 . 1 . . . A 153 HIS CA . 17784 1 1776 . 1 1 153 153 HIS CB C 13 30.514 0.3 . 1 . . . A 153 HIS CB . 17784 1 1777 . 1 1 153 153 HIS N N 15 123.763 0.3 . 1 . . . A 153 HIS N . 17784 1 1778 . 2 2 3 3 ASP H H 1 8.360 0.020 . 1 . . . B 3 ASP H . 17784 1 1779 . 2 2 3 3 ASP HA H 1 4.586 0.020 . 1 . . . B 3 ASP HA . 17784 1 1780 . 2 2 3 3 ASP HB2 H 1 2.497 0.020 . 2 . . . B 3 ASP HB2 . 17784 1 1781 . 2 2 3 3 ASP HB3 H 1 2.634 0.020 . 2 . . . B 3 ASP HB3 . 17784 1 1782 . 2 2 3 3 ASP C C 13 175.426 0.3 . 1 . . . B 3 ASP C . 17784 1 1783 . 2 2 3 3 ASP CA C 13 53.846 0.3 . 1 . . . B 3 ASP CA . 17784 1 1784 . 2 2 3 3 ASP CB C 13 41.124 0.3 . 1 . . . B 3 ASP CB . 17784 1 1785 . 2 2 3 3 ASP N N 15 122.013 0.3 . 1 . . . B 3 ASP N . 17784 1 1786 . 2 2 4 4 LEU H H 1 8.107 0.020 . 1 . . . B 4 LEU H . 17784 1 1787 . 2 2 4 4 LEU HA H 1 4.593 0.020 . 1 . . . B 4 LEU HA . 17784 1 1788 . 2 2 4 4 LEU HB2 H 1 1.526 0.020 . 2 . . . B 4 LEU HB2 . 17784 1 1789 . 2 2 4 4 LEU HB3 H 1 1.565 0.020 . 2 . . . B 4 LEU HB3 . 17784 1 1790 . 2 2 4 4 LEU HD11 H 1 0.918 0.020 . 1 . . . B 4 LEU HD11 . 17784 1 1791 . 2 2 4 4 LEU HD12 H 1 0.918 0.020 . 1 . . . B 4 LEU HD12 . 17784 1 1792 . 2 2 4 4 LEU HD13 H 1 0.918 0.020 . 1 . . . B 4 LEU HD13 . 17784 1 1793 . 2 2 4 4 LEU HD21 H 1 0.888 0.020 . 1 . . . B 4 LEU HD21 . 17784 1 1794 . 2 2 4 4 LEU HD22 H 1 0.888 0.020 . 1 . . . B 4 LEU HD22 . 17784 1 1795 . 2 2 4 4 LEU HD23 H 1 0.888 0.020 . 1 . . . B 4 LEU HD23 . 17784 1 1796 . 2 2 4 4 LEU CA C 13 52.936 0.3 . 1 . . . B 4 LEU CA . 17784 1 1797 . 2 2 4 4 LEU CB C 13 41.770 0.3 . 1 . . . B 4 LEU CB . 17784 1 1798 . 2 2 4 4 LEU N N 15 123.673 0.3 . 1 . . . B 4 LEU N . 17784 1 1799 . 2 2 5 5 PRO HA H 1 4.367 0.020 . 1 . . . B 5 PRO HA . 17784 1 1800 . 2 2 5 5 PRO HB2 H 1 2.274 0.020 . 1 . . . B 5 PRO HB2 . 17784 1 1801 . 2 2 5 5 PRO HB3 H 1 2.274 0.020 . 1 . . . B 5 PRO HB3 . 17784 1 1802 . 2 2 5 5 PRO HG2 H 1 1.990 0.020 . 2 . . . B 5 PRO HG2 . 17784 1 1803 . 2 2 5 5 PRO HG3 H 1 2.018 0.020 . 2 . . . B 5 PRO HG3 . 17784 1 1804 . 2 2 5 5 PRO HD2 H 1 3.800 0.020 . 2 . . . B 5 PRO HD2 . 17784 1 1805 . 2 2 5 5 PRO HD3 H 1 3.639 0.020 . 2 . . . B 5 PRO HD3 . 17784 1 1806 . 2 2 5 5 PRO CA C 13 63.531 0.3 . 1 . . . B 5 PRO CA . 17784 1 1807 . 2 2 5 5 PRO CB C 13 31.807 0.3 . 1 . . . B 5 PRO CB . 17784 1 1808 . 2 2 5 5 PRO CG C 13 27.372 0.3 . 1 . . . B 5 PRO CG . 17784 1 1809 . 2 2 5 5 PRO CD C 13 50.566 0.3 . 1 . . . B 5 PRO CD . 17784 1 1810 . 2 2 6 6 GLY H H 1 8.412 0.020 . 1 . . . B 6 GLY H . 17784 1 1811 . 2 2 6 6 GLY HA2 H 1 3.923 0.020 . 1 . . . B 6 GLY HA2 . 17784 1 1812 . 2 2 6 6 GLY HA3 H 1 3.923 0.020 . 1 . . . B 6 GLY HA3 . 17784 1 1813 . 2 2 6 6 GLY C C 13 174.204 0.3 . 1 . . . B 6 GLY C . 17784 1 1814 . 2 2 6 6 GLY CA C 13 45.368 0.3 . 1 . . . B 6 GLY CA . 17784 1 1815 . 2 2 6 6 GLY N N 15 108.470 0.3 . 1 . . . B 6 GLY N . 17784 1 1816 . 2 2 7 7 ASN H H 1 8.173 0.020 . 1 . . . B 7 ASN H . 17784 1 1817 . 2 2 7 7 ASN HA H 1 4.655 0.020 . 1 . . . B 7 ASN HA . 17784 1 1818 . 2 2 7 7 ASN HB2 H 1 2.775 0.020 . 2 . . . B 7 ASN HB2 . 17784 1 1819 . 2 2 7 7 ASN HB3 H 1 2.823 0.020 . 2 . . . B 7 ASN HB3 . 17784 1 1820 . 2 2 7 7 ASN HD21 H 1 7.625 0.020 . 1 . . . B 7 ASN HD21 . 17784 1 1821 . 2 2 7 7 ASN HD22 H 1 6.918 0.020 . 1 . . . B 7 ASN HD22 . 17784 1 1822 . 2 2 7 7 ASN C C 13 175.692 0.3 . 1 . . . B 7 ASN C . 17784 1 1823 . 2 2 7 7 ASN CA C 13 53.475 0.3 . 1 . . . B 7 ASN CA . 17784 1 1824 . 2 2 7 7 ASN CB C 13 38.900 0.3 . 1 . . . B 7 ASN CB . 17784 1 1825 . 2 2 7 7 ASN N N 15 118.687 0.3 . 1 . . . B 7 ASN N . 17784 1 1826 . 2 2 7 7 ASN ND2 N 15 112.644 0.3 . 1 . . . B 7 ASN ND2 . 17784 1 1827 . 2 2 8 8 LYS H H 1 8.279 0.020 . 1 . . . B 8 LYS H . 17784 1 1828 . 2 2 8 8 LYS C C 13 176.401 0.3 . 1 . . . B 8 LYS C . 17784 1 1829 . 2 2 8 8 LYS CA C 13 56.785 0.3 . 1 . . . B 8 LYS CA . 17784 1 1830 . 2 2 8 8 LYS CB C 13 32.645 0.3 . 1 . . . B 8 LYS CB . 17784 1 1831 . 2 2 8 8 LYS N N 15 121.405 0.3 . 1 . . . B 8 LYS N . 17784 1 1832 . 2 2 9 9 ASP H H 1 8.203 0.020 . 1 . . . B 9 ASP H . 17784 1 1833 . 2 2 9 9 ASP HA H 1 4.546 0.020 . 1 . . . B 9 ASP HA . 17784 1 1834 . 2 2 9 9 ASP HB2 H 1 2.593 0.020 . 2 . . . B 9 ASP HB2 . 17784 1 1835 . 2 2 9 9 ASP HB3 H 1 2.685 0.020 . 2 . . . B 9 ASP HB3 . 17784 1 1836 . 2 2 9 9 ASP C C 13 176.380 0.3 . 1 . . . B 9 ASP C . 17784 1 1837 . 2 2 9 9 ASP CA C 13 54.393 0.3 . 1 . . . B 9 ASP CA . 17784 1 1838 . 2 2 9 9 ASP CB C 13 41.121 0.3 . 1 . . . B 9 ASP CB . 17784 1 1839 . 2 2 9 9 ASP N N 15 120.472 0.3 . 1 . . . B 9 ASP N . 17784 1 1840 . 2 2 10 10 LYS H H 1 8.134 0.020 . 1 . . . B 10 LYS H . 17784 1 1841 . 2 2 10 10 LYS HA H 1 4.234 0.020 . 1 . . . B 10 LYS HA . 17784 1 1842 . 2 2 10 10 LYS HB2 H 1 1.830 0.020 . 1 . . . B 10 LYS HB2 . 17784 1 1843 . 2 2 10 10 LYS HB3 H 1 1.830 0.020 . 1 . . . B 10 LYS HB3 . 17784 1 1844 . 2 2 10 10 LYS C C 13 176.819 0.3 . 1 . . . B 10 LYS C . 17784 1 1845 . 2 2 10 10 LYS CA C 13 56.434 0.3 . 1 . . . B 10 LYS CA . 17784 1 1846 . 2 2 10 10 LYS CB C 13 32.708 0.3 . 1 . . . B 10 LYS CB . 17784 1 1847 . 2 2 10 10 LYS N N 15 121.832 0.3 . 1 . . . B 10 LYS N . 17784 1 1848 . 2 2 11 11 LYS H H 1 8.248 0.020 . 1 . . . B 11 LYS H . 17784 1 1849 . 2 2 11 11 LYS HA H 1 4.216 0.020 . 1 . . . B 11 LYS HA . 17784 1 1850 . 2 2 11 11 LYS C C 13 176.659 0.3 . 1 . . . B 11 LYS C . 17784 1 1851 . 2 2 11 11 LYS CA C 13 56.667 0.3 . 1 . . . B 11 LYS CA . 17784 1 1852 . 2 2 11 11 LYS CB C 13 32.704 0.3 . 1 . . . B 11 LYS CB . 17784 1 1853 . 2 2 11 11 LYS N N 15 121.835 0.3 . 1 . . . B 11 LYS N . 17784 1 1854 . 2 2 12 12 ALA H H 1 8.216 0.020 . 1 . . . B 12 ALA H . 17784 1 1855 . 2 2 12 12 ALA HA H 1 4.289 0.020 . 1 . . . B 12 ALA HA . 17784 1 1856 . 2 2 12 12 ALA HB1 H 1 1.381 0.020 . 1 . . . B 12 ALA HB1 . 17784 1 1857 . 2 2 12 12 ALA HB2 H 1 1.381 0.020 . 1 . . . B 12 ALA HB2 . 17784 1 1858 . 2 2 12 12 ALA HB3 H 1 1.381 0.020 . 1 . . . B 12 ALA HB3 . 17784 1 1859 . 2 2 12 12 ALA C C 13 177.932 0.3 . 1 . . . B 12 ALA C . 17784 1 1860 . 2 2 12 12 ALA CA C 13 52.578 0.3 . 1 . . . B 12 ALA CA . 17784 1 1861 . 2 2 12 12 ALA CB C 13 19.255 0.3 . 1 . . . B 12 ALA CB . 17784 1 1862 . 2 2 12 12 ALA N N 15 124.879 0.3 . 1 . . . B 12 ALA N . 17784 1 1863 . 2 2 13 13 SER H H 1 8.236 0.020 . 1 . . . B 13 SER H . 17784 1 1864 . 2 2 13 13 SER HA H 1 4.437 0.020 . 1 . . . B 13 SER HA . 17784 1 1865 . 2 2 13 13 SER HB2 H 1 3.888 0.020 . 2 . . . B 13 SER HB2 . 17784 1 1866 . 2 2 13 13 SER HB3 H 1 3.843 0.020 . 2 . . . B 13 SER HB3 . 17784 1 1867 . 2 2 13 13 SER C C 13 174.743 0.3 . 1 . . . B 13 SER C . 17784 1 1868 . 2 2 13 13 SER CA C 13 58.371 0.3 . 1 . . . B 13 SER CA . 17784 1 1869 . 2 2 13 13 SER CB C 13 63.783 0.3 . 1 . . . B 13 SER CB . 17784 1 1870 . 2 2 13 13 SER N N 15 114.878 0.3 . 1 . . . B 13 SER N . 17784 1 1871 . 2 2 15 15 LYS H H 1 8.219 0.020 . 1 . . . B 15 LYS H . 17784 1 1872 . 2 2 15 15 LYS HA H 1 4.237 0.020 . 1 . . . B 15 LYS HA . 17784 1 1873 . 2 2 15 15 LYS HB2 H 1 1.753 0.020 . 2 . . . B 15 LYS HB2 . 17784 1 1874 . 2 2 15 15 LYS HB3 H 1 1.829 0.020 . 2 . . . B 15 LYS HB3 . 17784 1 1875 . 2 2 15 15 LYS HG2 H 1 1.388 0.020 . 2 . . . B 15 LYS HG2 . 17784 1 1876 . 2 2 15 15 LYS HG3 H 1 1.426 0.020 . 2 . . . B 15 LYS HG3 . 17784 1 1877 . 2 2 15 15 LYS HD2 H 1 1.651 0.020 . 1 . . . B 15 LYS HD2 . 17784 1 1878 . 2 2 15 15 LYS HD3 H 1 1.651 0.020 . 1 . . . B 15 LYS HD3 . 17784 1 1879 . 2 2 15 15 LYS C C 13 176.334 0.3 . 1 . . . B 15 LYS C . 17784 1 1880 . 2 2 15 15 LYS CA C 13 56.543 0.3 . 1 . . . B 15 LYS CA . 17784 1 1881 . 2 2 15 15 LYS CB C 13 32.769 0.3 . 1 . . . B 15 LYS CB . 17784 1 1882 . 2 2 15 15 LYS CG C 13 24.700 0.3 . 1 . . . B 15 LYS CG . 17784 1 1883 . 2 2 15 15 LYS CD C 13 29.025 0.3 . 1 . . . B 15 LYS CD . 17784 1 1884 . 2 2 15 15 LYS N N 15 123.130 0.3 . 1 . . . B 15 LYS N . 17784 1 1885 . 2 2 16 16 LYS H H 1 8.256 0.020 . 1 . . . B 16 LYS H . 17784 1 1886 . 2 2 16 16 LYS C C 13 176.341 0.3 . 1 . . . B 16 LYS C . 17784 1 1887 . 2 2 16 16 LYS CA C 13 55.883 0.3 . 1 . . . B 16 LYS CA . 17784 1 1888 . 2 2 16 16 LYS CB C 13 33.040 0.3 . 1 . . . B 16 LYS CB . 17784 1 1889 . 2 2 16 16 LYS N N 15 122.779 0.3 . 1 . . . B 16 LYS N . 17784 1 1890 . 2 2 17 17 SER H H 1 8.331 0.020 . 1 . . . B 17 SER H . 17784 1 1891 . 2 2 17 17 SER HA H 1 4.325 0.020 . 1 . . . B 17 SER HA . 17784 1 1892 . 2 2 17 17 SER HB2 H 1 3.845 0.020 . 2 . . . B 17 SER HB2 . 17784 1 1893 . 2 2 17 17 SER HB3 H 1 3.791 0.020 . 2 . . . B 17 SER HB3 . 17784 1 1894 . 2 2 17 17 SER C C 13 172.585 0.3 . 1 . . . B 17 SER C . 17784 1 1895 . 2 2 17 17 SER CA C 13 55.976 0.3 . 1 . . . B 17 SER CA . 17784 1 1896 . 2 2 17 17 SER CB C 13 63.318 0.3 . 1 . . . B 17 SER CB . 17784 1 1897 . 2 2 17 17 SER N N 15 119.025 0.3 . 1 . . . B 17 SER N . 17784 1 1898 . 2 2 18 18 PRO HA H 1 4.400 0.020 . 1 . . . B 18 PRO HA . 17784 1 1899 . 2 2 18 18 PRO HB2 H 1 1.904 0.020 . 2 . . . B 18 PRO HB2 . 17784 1 1900 . 2 2 18 18 PRO HB3 H 1 2.275 0.020 . 2 . . . B 18 PRO HB3 . 17784 1 1901 . 2 2 18 18 PRO HG2 H 1 1.993 0.020 . 1 . . . B 18 PRO HG2 . 17784 1 1902 . 2 2 18 18 PRO HG3 H 1 1.993 0.020 . 1 . . . B 18 PRO HG3 . 17784 1 1903 . 2 2 18 18 PRO HD2 H 1 3.674 0.020 . 2 . . . B 18 PRO HD2 . 17784 1 1904 . 2 2 18 18 PRO HD3 H 1 3.778 0.020 . 2 . . . B 18 PRO HD3 . 17784 1 1905 . 2 2 18 18 PRO CA C 13 63.136 0.3 . 1 . . . B 18 PRO CA . 17784 1 1906 . 2 2 18 18 PRO CB C 13 31.987 0.3 . 1 . . . B 18 PRO CB . 17784 1 1907 . 2 2 18 18 PRO CG C 13 27.281 0.3 . 1 . . . B 18 PRO CG . 17784 1 1908 . 2 2 18 18 PRO CD C 13 50.778 0.3 . 1 . . . B 18 PRO CD . 17784 1 1909 . 2 2 19 19 ALA H H 1 8.269 0.020 . 1 . . . B 19 ALA H . 17784 1 1910 . 2 2 19 19 ALA HA H 1 4.236 0.020 . 1 . . . B 19 ALA HA . 17784 1 1911 . 2 2 19 19 ALA HB1 H 1 1.337 0.020 . 1 . . . B 19 ALA HB1 . 17784 1 1912 . 2 2 19 19 ALA HB2 H 1 1.337 0.020 . 1 . . . B 19 ALA HB2 . 17784 1 1913 . 2 2 19 19 ALA HB3 H 1 1.337 0.020 . 1 . . . B 19 ALA HB3 . 17784 1 1914 . 2 2 19 19 ALA C C 13 177.651 0.3 . 1 . . . B 19 ALA C . 17784 1 1915 . 2 2 19 19 ALA CA C 13 52.376 0.3 . 1 . . . B 19 ALA CA . 17784 1 1916 . 2 2 19 19 ALA CB C 13 19.176 0.3 . 1 . . . B 19 ALA CB . 17784 1 1917 . 2 2 19 19 ALA N N 15 124.279 0.3 . 1 . . . B 19 ALA N . 17784 1 1918 . 2 2 20 20 LYS H H 1 8.248 0.020 . 1 . . . B 20 LYS H . 17784 1 1919 . 2 2 20 20 LYS HA H 1 4.298 0.020 . 1 . . . B 20 LYS HA . 17784 1 1920 . 2 2 20 20 LYS HB2 H 1 1.709 0.020 . 2 . . . B 20 LYS HB2 . 17784 1 1921 . 2 2 20 20 LYS HB3 H 1 1.773 0.020 . 2 . . . B 20 LYS HB3 . 17784 1 1922 . 2 2 20 20 LYS HG2 H 1 1.381 0.020 . 2 . . . B 20 LYS HG2 . 17784 1 1923 . 2 2 20 20 LYS HG3 H 1 1.428 0.020 . 2 . . . B 20 LYS HG3 . 17784 1 1924 . 2 2 20 20 LYS HD2 H 1 1.645 0.020 . 1 . . . B 20 LYS HD2 . 17784 1 1925 . 2 2 20 20 LYS HD3 H 1 1.645 0.020 . 1 . . . B 20 LYS HD3 . 17784 1 1926 . 2 2 20 20 LYS HE2 H 1 2.950 0.020 . 1 . . . B 20 LYS HE2 . 17784 1 1927 . 2 2 20 20 LYS HE3 H 1 2.950 0.020 . 1 . . . B 20 LYS HE3 . 17784 1 1928 . 2 2 20 20 LYS C C 13 176.473 0.3 . 1 . . . B 20 LYS C . 17784 1 1929 . 2 2 20 20 LYS CA C 13 56.169 0.3 . 1 . . . B 20 LYS CA . 17784 1 1930 . 2 2 20 20 LYS CB C 13 32.979 0.3 . 1 . . . B 20 LYS CB . 17784 1 1931 . 2 2 20 20 LYS CG C 13 29.000 0.3 . 1 . . . B 20 LYS CG . 17784 1 1932 . 2 2 20 20 LYS CD C 13 28.995 0.3 . 1 . . . B 20 LYS CD . 17784 1 1933 . 2 2 20 20 LYS CE C 13 42.026 0.3 . 1 . . . B 20 LYS CE . 17784 1 1934 . 2 2 20 20 LYS N N 15 120.932 0.3 . 1 . . . B 20 LYS N . 17784 1 1935 . 2 2 21 21 VAL H H 1 8.125 0.020 . 1 . . . B 21 VAL H . 17784 1 1936 . 2 2 21 21 VAL HA H 1 4.070 0.020 . 1 . . . B 21 VAL HA . 17784 1 1937 . 2 2 21 21 VAL HB H 1 2.013 0.020 . 1 . . . B 21 VAL HB . 17784 1 1938 . 2 2 21 21 VAL HG11 H 1 0.890 0.020 . 1 . . . B 21 VAL HG11 . 17784 1 1939 . 2 2 21 21 VAL HG12 H 1 0.890 0.020 . 1 . . . B 21 VAL HG12 . 17784 1 1940 . 2 2 21 21 VAL HG13 H 1 0.890 0.020 . 1 . . . B 21 VAL HG13 . 17784 1 1941 . 2 2 21 21 VAL HG21 H 1 0.905 0.020 . 1 . . . B 21 VAL HG21 . 17784 1 1942 . 2 2 21 21 VAL HG22 H 1 0.905 0.020 . 1 . . . B 21 VAL HG22 . 17784 1 1943 . 2 2 21 21 VAL HG23 H 1 0.905 0.020 . 1 . . . B 21 VAL HG23 . 17784 1 1944 . 2 2 21 21 VAL C C 13 175.993 0.3 . 1 . . . B 21 VAL C . 17784 1 1945 . 2 2 21 21 VAL CA C 13 62.129 0.3 . 1 . . . B 21 VAL CA . 17784 1 1946 . 2 2 21 21 VAL CB C 13 32.790 0.3 . 1 . . . B 21 VAL CB . 17784 1 1947 . 2 2 21 21 VAL CG1 C 13 21.112 0.3 . 1 . . . B 21 VAL CG1 . 17784 1 1948 . 2 2 21 21 VAL CG2 C 13 20.577 0.3 . 1 . . . B 21 VAL CG2 . 17784 1 1949 . 2 2 21 21 VAL N N 15 121.877 0.3 . 1 . . . B 21 VAL N . 17784 1 1950 . 2 2 22 22 GLN H H 1 8.517 0.020 . 1 . . . B 22 GLN H . 17784 1 1951 . 2 2 22 22 GLN HA H 1 4.369 0.020 . 1 . . . B 22 GLN HA . 17784 1 1952 . 2 2 22 22 GLN HB2 H 1 1.952 0.020 . 2 . . . B 22 GLN HB2 . 17784 1 1953 . 2 2 22 22 GLN HB3 H 1 2.081 0.020 . 2 . . . B 22 GLN HB3 . 17784 1 1954 . 2 2 22 22 GLN HG2 H 1 2.339 0.020 . 1 . . . B 22 GLN HG2 . 17784 1 1955 . 2 2 22 22 GLN HG3 H 1 2.339 0.020 . 1 . . . B 22 GLN HG3 . 17784 1 1956 . 2 2 22 22 GLN HE21 H 1 7.538 0.020 . 1 . . . B 22 GLN HE21 . 17784 1 1957 . 2 2 22 22 GLN HE22 H 1 6.818 0.020 . 1 . . . B 22 GLN HE22 . 17784 1 1958 . 2 2 22 22 GLN C C 13 175.871 0.3 . 1 . . . B 22 GLN C . 17784 1 1959 . 2 2 22 22 GLN CA C 13 55.548 0.3 . 1 . . . B 22 GLN CA . 17784 1 1960 . 2 2 22 22 GLN CB C 13 29.585 0.3 . 1 . . . B 22 GLN CB . 17784 1 1961 . 2 2 22 22 GLN CG C 13 33.705 0.3 . 1 . . . B 22 GLN CG . 17784 1 1962 . 2 2 22 22 GLN N N 15 124.587 0.3 . 1 . . . B 22 GLN N . 17784 1 1963 . 2 2 22 22 GLN NE2 N 15 112.252 0.3 . 1 . . . B 22 GLN NE2 . 17784 1 1964 . 2 2 23 23 SER H H 1 8.397 0.020 . 1 . . . B 23 SER H . 17784 1 1965 . 2 2 23 23 SER HA H 1 4.396 0.020 . 1 . . . B 23 SER HA . 17784 1 1966 . 2 2 23 23 SER HB2 H 1 3.890 0.020 . 2 . . . B 23 SER HB2 . 17784 1 1967 . 2 2 23 23 SER HB3 H 1 3.826 0.020 . 2 . . . B 23 SER HB3 . 17784 1 1968 . 2 2 23 23 SER C C 13 174.940 0.3 . 1 . . . B 23 SER C . 17784 1 1969 . 2 2 23 23 SER CA C 13 58.344 0.3 . 1 . . . B 23 SER CA . 17784 1 1970 . 2 2 23 23 SER CB C 13 63.719 0.3 . 1 . . . B 23 SER CB . 17784 1 1971 . 2 2 23 23 SER N N 15 117.746 0.3 . 1 . . . B 23 SER N . 17784 1 1972 . 2 2 24 24 LYS H H 1 8.483 0.020 . 1 . . . B 24 LYS H . 17784 1 1973 . 2 2 24 24 LYS HA H 1 4.273 0.020 . 1 . . . B 24 LYS HA . 17784 1 1974 . 2 2 24 24 LYS HB2 H 1 1.747 0.020 . 2 . . . B 24 LYS HB2 . 17784 1 1975 . 2 2 24 24 LYS HB3 H 1 1.832 0.020 . 2 . . . B 24 LYS HB3 . 17784 1 1976 . 2 2 24 24 LYS HG2 H 1 1.382 0.020 . 2 . . . B 24 LYS HG2 . 17784 1 1977 . 2 2 24 24 LYS HG3 H 1 1.427 0.020 . 2 . . . B 24 LYS HG3 . 17784 1 1978 . 2 2 24 24 LYS HD2 H 1 1.644 0.020 . 1 . . . B 24 LYS HD2 . 17784 1 1979 . 2 2 24 24 LYS HD3 H 1 1.644 0.020 . 1 . . . B 24 LYS HD3 . 17784 1 1980 . 2 2 24 24 LYS HE2 H 1 2.657 0.020 . 1 . . . B 24 LYS HE2 . 17784 1 1981 . 2 2 24 24 LYS HE3 H 1 2.657 0.020 . 1 . . . B 24 LYS HE3 . 17784 1 1982 . 2 2 24 24 LYS C C 13 176.597 0.3 . 1 . . . B 24 LYS C . 17784 1 1983 . 2 2 24 24 LYS CA C 13 57.039 0.3 . 1 . . . B 24 LYS CA . 17784 1 1984 . 2 2 24 24 LYS CB C 13 32.618 0.3 . 1 . . . B 24 LYS CB . 17784 1 1985 . 2 2 24 24 LYS CG C 13 24.659 0.3 . 1 . . . B 24 LYS CG . 17784 1 1986 . 2 2 24 24 LYS CD C 13 24.671 0.3 . 1 . . . B 24 LYS CD . 17784 1 1987 . 2 2 24 24 LYS N N 15 123.103 0.3 . 1 . . . B 24 LYS N . 17784 1 1988 . 2 2 25 25 ASP H H 1 8.314 0.020 . 1 . . . B 25 ASP H . 17784 1 1989 . 2 2 25 25 ASP HA H 1 4.436 0.020 . 1 . . . B 25 ASP HA . 17784 1 1990 . 2 2 25 25 ASP HB2 H 1 2.595 0.020 . 2 . . . B 25 ASP HB2 . 17784 1 1991 . 2 2 25 25 ASP HB3 H 1 2.595 0.020 . 2 . . . B 25 ASP HB3 . 17784 1 1992 . 2 2 25 25 ASP C C 13 176.404 0.3 . 1 . . . B 25 ASP C . 17784 1 1993 . 2 2 25 25 ASP CA C 13 55.057 0.3 . 1 . . . B 25 ASP CA . 17784 1 1994 . 2 2 25 25 ASP CB C 13 40.908 0.3 . 1 . . . B 25 ASP CB . 17784 1 1995 . 2 2 25 25 ASP N N 15 119.685 0.3 . 1 . . . B 25 ASP N . 17784 1 1996 . 2 2 26 26 ARG H H 1 8.049 0.020 . 1 . . . B 26 ARG H . 17784 1 1997 . 2 2 26 26 ARG HA H 1 4.200 0.020 . 1 . . . B 26 ARG HA . 17784 1 1998 . 2 2 26 26 ARG HB2 H 1 1.852 0.020 . 2 . . . B 26 ARG HB2 . 17784 1 1999 . 2 2 26 26 ARG HB3 H 1 1.771 0.020 . 2 . . . B 26 ARG HB3 . 17784 1 2000 . 2 2 26 26 ARG HG2 H 1 1.622 0.020 . 2 . . . B 26 ARG HG2 . 17784 1 2001 . 2 2 26 26 ARG HG3 H 1 1.558 0.020 . 2 . . . B 26 ARG HG3 . 17784 1 2002 . 2 2 26 26 ARG HD2 H 1 3.150 0.020 . 1 . . . B 26 ARG HD2 . 17784 1 2003 . 2 2 26 26 ARG HD3 H 1 3.150 0.020 . 1 . . . B 26 ARG HD3 . 17784 1 2004 . 2 2 26 26 ARG C C 13 176.240 0.3 . 1 . . . B 26 ARG C . 17784 1 2005 . 2 2 26 26 ARG CA C 13 56.717 0.3 . 1 . . . B 26 ARG CA . 17784 1 2006 . 2 2 26 26 ARG CB C 13 30.282 0.3 . 1 . . . B 26 ARG CB . 17784 1 2007 . 2 2 26 26 ARG CG C 13 27.044 0.3 . 1 . . . B 26 ARG CG . 17784 1 2008 . 2 2 26 26 ARG CD C 13 43.314 0.3 . 1 . . . B 26 ARG CD . 17784 1 2009 . 2 2 26 26 ARG N N 15 120.347 0.3 . 1 . . . B 26 ARG N . 17784 1 2010 . 2 2 27 27 ASP H H 1 8.126 0.020 . 1 . . . B 27 ASP H . 17784 1 2011 . 2 2 27 27 ASP HA H 1 4.591 0.020 . 1 . . . B 27 ASP HA . 17784 1 2012 . 2 2 27 27 ASP HB2 H 1 2.785 0.020 . 2 . . . B 27 ASP HB2 . 17784 1 2013 . 2 2 27 27 ASP HB3 H 1 2.685 0.020 . 2 . . . B 27 ASP HB3 . 17784 1 2014 . 2 2 27 27 ASP C C 13 177.118 0.3 . 1 . . . B 27 ASP C . 17784 1 2015 . 2 2 27 27 ASP CA C 13 54.541 0.3 . 1 . . . B 27 ASP CA . 17784 1 2016 . 2 2 27 27 ASP CB C 13 41.077 0.3 . 1 . . . B 27 ASP CB . 17784 1 2017 . 2 2 27 27 ASP N N 15 120.620 0.3 . 1 . . . B 27 ASP N . 17784 1 2018 . 2 2 28 28 MET H H 1 8.607 0.020 . 1 . . . B 28 MET H . 17784 1 2019 . 2 2 28 28 MET HA H 1 4.392 0.020 . 1 . . . B 28 MET HA . 17784 1 2020 . 2 2 28 28 MET HB2 H 1 1.895 0.020 . 2 . . . B 28 MET HB2 . 17784 1 2021 . 2 2 28 28 MET HB3 H 1 2.130 0.020 . 2 . . . B 28 MET HB3 . 17784 1 2022 . 2 2 28 28 MET HG2 H 1 2.472 0.020 . 2 . . . B 28 MET HG2 . 17784 1 2023 . 2 2 28 28 MET HG3 H 1 2.530 0.020 . 2 . . . B 28 MET HG3 . 17784 1 2024 . 2 2 28 28 MET HE1 H 1 1.989 0.020 . 1 . . . B 28 MET HE1 . 17784 1 2025 . 2 2 28 28 MET HE2 H 1 1.989 0.020 . 1 . . . B 28 MET HE2 . 17784 1 2026 . 2 2 28 28 MET HE3 H 1 1.989 0.020 . 1 . . . B 28 MET HE3 . 17784 1 2027 . 2 2 28 28 MET C C 13 178.263 0.3 . 1 . . . B 28 MET C . 17784 1 2028 . 2 2 28 28 MET CA C 13 56.829 0.3 . 1 . . . B 28 MET CA . 17784 1 2029 . 2 2 28 28 MET CB C 13 31.520 0.3 . 1 . . . B 28 MET CB . 17784 1 2030 . 2 2 28 28 MET CG C 13 32.072 0.3 . 1 . . . B 28 MET CG . 17784 1 2031 . 2 2 28 28 MET CE C 13 16.796 0.3 . 1 . . . B 28 MET CE . 17784 1 2032 . 2 2 28 28 MET N N 15 122.891 0.3 . 1 . . . B 28 MET N . 17784 1 2033 . 2 2 29 29 GLY H H 1 8.641 0.020 . 1 . . . B 29 GLY H . 17784 1 2034 . 2 2 29 29 GLY HA2 H 1 3.953 0.020 . 2 . . . B 29 GLY HA2 . 17784 1 2035 . 2 2 29 29 GLY HA3 H 1 3.324 0.020 . 2 . . . B 29 GLY HA3 . 17784 1 2036 . 2 2 29 29 GLY C C 13 175.260 0.3 . 1 . . . B 29 GLY C . 17784 1 2037 . 2 2 29 29 GLY CA C 13 48.237 0.3 . 1 . . . B 29 GLY CA . 17784 1 2038 . 2 2 29 29 GLY N N 15 107.365 0.3 . 1 . . . B 29 GLY N . 17784 1 2039 . 2 2 30 30 ALA H H 1 7.972 0.020 . 1 . . . B 30 ALA H . 17784 1 2040 . 2 2 30 30 ALA HA H 1 3.971 0.020 . 1 . . . B 30 ALA HA . 17784 1 2041 . 2 2 30 30 ALA HB1 H 1 1.435 0.020 . 1 . . . B 30 ALA HB1 . 17784 1 2042 . 2 2 30 30 ALA HB2 H 1 1.435 0.020 . 1 . . . B 30 ALA HB2 . 17784 1 2043 . 2 2 30 30 ALA HB3 H 1 1.435 0.020 . 1 . . . B 30 ALA HB3 . 17784 1 2044 . 2 2 30 30 ALA C C 13 180.548 0.3 . 1 . . . B 30 ALA C . 17784 1 2045 . 2 2 30 30 ALA CA C 13 54.957 0.3 . 1 . . . B 30 ALA CA . 17784 1 2046 . 2 2 30 30 ALA CB C 13 18.068 0.3 . 1 . . . B 30 ALA CB . 17784 1 2047 . 2 2 30 30 ALA N N 15 123.752 0.3 . 1 . . . B 30 ALA N . 17784 1 2048 . 2 2 31 31 ALA H H 1 7.939 0.020 . 1 . . . B 31 ALA H . 17784 1 2049 . 2 2 31 31 ALA HA H 1 4.098 0.020 . 1 . . . B 31 ALA HA . 17784 1 2050 . 2 2 31 31 ALA HB1 H 1 1.482 0.020 . 1 . . . B 31 ALA HB1 . 17784 1 2051 . 2 2 31 31 ALA HB2 H 1 1.482 0.020 . 1 . . . B 31 ALA HB2 . 17784 1 2052 . 2 2 31 31 ALA HB3 H 1 1.482 0.020 . 1 . . . B 31 ALA HB3 . 17784 1 2053 . 2 2 31 31 ALA C C 13 181.104 0.3 . 1 . . . B 31 ALA C . 17784 1 2054 . 2 2 31 31 ALA CA C 13 55.114 0.3 . 1 . . . B 31 ALA CA . 17784 1 2055 . 2 2 31 31 ALA CB C 13 18.059 0.3 . 1 . . . B 31 ALA CB . 17784 1 2056 . 2 2 31 31 ALA N N 15 121.802 0.3 . 1 . . . B 31 ALA N . 17784 1 2057 . 2 2 32 32 LEU H H 1 8.307 0.020 . 1 . . . B 32 LEU H . 17784 1 2058 . 2 2 32 32 LEU HA H 1 4.009 0.020 . 1 . . . B 32 LEU HA . 17784 1 2059 . 2 2 32 32 LEU HB2 H 1 1.742 0.020 . 2 . . . B 32 LEU HB2 . 17784 1 2060 . 2 2 32 32 LEU HB3 H 1 1.925 0.020 . 2 . . . B 32 LEU HB3 . 17784 1 2061 . 2 2 32 32 LEU HD11 H 1 0.913 0.020 . 1 . . . B 32 LEU HD11 . 17784 1 2062 . 2 2 32 32 LEU HD12 H 1 0.913 0.020 . 1 . . . B 32 LEU HD12 . 17784 1 2063 . 2 2 32 32 LEU HD13 H 1 0.913 0.020 . 1 . . . B 32 LEU HD13 . 17784 1 2064 . 2 2 32 32 LEU HD21 H 1 0.828 0.020 . 1 . . . B 32 LEU HD21 . 17784 1 2065 . 2 2 32 32 LEU HD22 H 1 0.828 0.020 . 1 . . . B 32 LEU HD22 . 17784 1 2066 . 2 2 32 32 LEU HD23 H 1 0.828 0.020 . 1 . . . B 32 LEU HD23 . 17784 1 2067 . 2 2 32 32 LEU C C 13 178.190 0.3 . 1 . . . B 32 LEU C . 17784 1 2068 . 2 2 32 32 LEU CA C 13 57.940 0.3 . 1 . . . B 32 LEU CA . 17784 1 2069 . 2 2 32 32 LEU CB C 13 41.814 0.3 . 1 . . . B 32 LEU CB . 17784 1 2070 . 2 2 32 32 LEU CD1 C 13 22.748 0.3 . 1 . . . B 32 LEU CD1 . 17784 1 2071 . 2 2 32 32 LEU CD2 C 13 26.106 0.3 . 1 . . . B 32 LEU CD2 . 17784 1 2072 . 2 2 32 32 LEU N N 15 119.688 0.3 . 1 . . . B 32 LEU N . 17784 1 2073 . 2 2 33 33 ARG H H 1 8.423 0.020 . 1 . . . B 33 ARG H . 17784 1 2074 . 2 2 33 33 ARG HA H 1 3.838 0.020 . 1 . . . B 33 ARG HA . 17784 1 2075 . 2 2 33 33 ARG HB2 H 1 1.858 0.020 . 2 . . . B 33 ARG HB2 . 17784 1 2076 . 2 2 33 33 ARG HB3 H 1 2.021 0.020 . 2 . . . B 33 ARG HB3 . 17784 1 2077 . 2 2 33 33 ARG HG2 H 1 1.457 0.020 . 1 . . . B 33 ARG HG2 . 17784 1 2078 . 2 2 33 33 ARG HG3 H 1 1.457 0.020 . 1 . . . B 33 ARG HG3 . 17784 1 2079 . 2 2 33 33 ARG HD2 H 1 2.488 0.020 . 1 . . . B 33 ARG HD2 . 17784 1 2080 . 2 2 33 33 ARG HD3 H 1 2.488 0.020 . 1 . . . B 33 ARG HD3 . 17784 1 2081 . 2 2 33 33 ARG C C 13 180.166 0.3 . 1 . . . B 33 ARG C . 17784 1 2082 . 2 2 33 33 ARG CA C 13 61.569 0.3 . 1 . . . B 33 ARG CA . 17784 1 2083 . 2 2 33 33 ARG CB C 13 30.611 0.3 . 1 . . . B 33 ARG CB . 17784 1 2084 . 2 2 33 33 ARG N N 15 116.246 0.3 . 1 . . . B 33 ARG N . 17784 1 2085 . 2 2 34 34 SER H H 1 8.117 0.020 . 1 . . . B 34 SER H . 17784 1 2086 . 2 2 34 34 SER HA H 1 4.252 0.020 . 1 . . . B 34 SER HA . 17784 1 2087 . 2 2 34 34 SER HB2 H 1 3.932 0.020 . 2 . . . B 34 SER HB2 . 17784 1 2088 . 2 2 34 34 SER HB3 H 1 3.960 0.020 . 2 . . . B 34 SER HB3 . 17784 1 2089 . 2 2 34 34 SER C C 13 176.666 0.3 . 1 . . . B 34 SER C . 17784 1 2090 . 2 2 34 34 SER CA C 13 61.557 0.3 . 1 . . . B 34 SER CA . 17784 1 2091 . 2 2 34 34 SER CB C 13 62.846 0.3 . 1 . . . B 34 SER CB . 17784 1 2092 . 2 2 34 34 SER N N 15 113.170 0.3 . 1 . . . B 34 SER N . 17784 1 2093 . 2 2 35 35 ALA H H 1 7.705 0.020 . 1 . . . B 35 ALA H . 17784 1 2094 . 2 2 35 35 ALA HA H 1 3.933 0.020 . 1 . . . B 35 ALA HA . 17784 1 2095 . 2 2 35 35 ALA HB1 H 1 1.050 0.020 . 1 . . . B 35 ALA HB1 . 17784 1 2096 . 2 2 35 35 ALA HB2 H 1 1.050 0.020 . 1 . . . B 35 ALA HB2 . 17784 1 2097 . 2 2 35 35 ALA HB3 H 1 1.050 0.020 . 1 . . . B 35 ALA HB3 . 17784 1 2098 . 2 2 35 35 ALA C C 13 178.921 0.3 . 1 . . . B 35 ALA C . 17784 1 2099 . 2 2 35 35 ALA CA C 13 54.458 0.3 . 1 . . . B 35 ALA CA . 17784 1 2100 . 2 2 35 35 ALA CB C 13 17.949 0.3 . 1 . . . B 35 ALA CB . 17784 1 2101 . 2 2 35 35 ALA N N 15 122.963 0.3 . 1 . . . B 35 ALA N . 17784 1 2102 . 2 2 36 36 TYR H H 1 7.203 0.020 . 1 . . . B 36 TYR H . 17784 1 2103 . 2 2 36 36 TYR HA H 1 3.929 0.020 . 1 . . . B 36 TYR HA . 17784 1 2104 . 2 2 36 36 TYR HB2 H 1 2.917 0.020 . 2 . . . B 36 TYR HB2 . 17784 1 2105 . 2 2 36 36 TYR HB3 H 1 2.979 0.020 . 2 . . . B 36 TYR HB3 . 17784 1 2106 . 2 2 36 36 TYR HD1 H 1 7.101 0.020 . 1 . . . B 36 TYR HD1 . 17784 1 2107 . 2 2 36 36 TYR HD2 H 1 7.101 0.020 . 1 . . . B 36 TYR HD2 . 17784 1 2108 . 2 2 36 36 TYR HE1 H 1 6.566 0.020 . 1 . . . B 36 TYR HE1 . 17784 1 2109 . 2 2 36 36 TYR HE2 H 1 6.566 0.020 . 1 . . . B 36 TYR HE2 . 17784 1 2110 . 2 2 36 36 TYR C C 13 175.716 0.3 . 1 . . . B 36 TYR C . 17784 1 2111 . 2 2 36 36 TYR CA C 13 57.752 0.3 . 1 . . . B 36 TYR CA . 17784 1 2112 . 2 2 36 36 TYR CB C 13 38.555 0.3 . 1 . . . B 36 TYR CB . 17784 1 2113 . 2 2 36 36 TYR N N 15 112.831 0.3 . 1 . . . B 36 TYR N . 17784 1 2114 . 2 2 37 37 GLN H H 1 7.208 0.020 . 1 . . . B 37 GLN H . 17784 1 2115 . 2 2 37 37 GLN HA H 1 4.158 0.020 . 1 . . . B 37 GLN HA . 17784 1 2116 . 2 2 37 37 GLN HB2 H 1 2.494 0.020 . 2 . . . B 37 GLN HB2 . 17784 1 2117 . 2 2 37 37 GLN HB3 H 1 1.934 0.020 . 2 . . . B 37 GLN HB3 . 17784 1 2118 . 2 2 37 37 GLN HG2 H 1 2.454 0.020 . 2 . . . B 37 GLN HG2 . 17784 1 2119 . 2 2 37 37 GLN HG3 H 1 2.266 0.020 . 2 . . . B 37 GLN HG3 . 17784 1 2120 . 2 2 37 37 GLN HE21 H 1 7.890 0.020 . 1 . . . B 37 GLN HE21 . 17784 1 2121 . 2 2 37 37 GLN HE22 H 1 6.723 0.020 . 1 . . . B 37 GLN HE22 . 17784 1 2122 . 2 2 37 37 GLN C C 13 177.510 0.3 . 1 . . . B 37 GLN C . 17784 1 2123 . 2 2 37 37 GLN CA C 13 58.648 0.3 . 1 . . . B 37 GLN CA . 17784 1 2124 . 2 2 37 37 GLN CB C 13 28.301 0.3 . 1 . . . B 37 GLN CB . 17784 1 2125 . 2 2 37 37 GLN CG C 13 32.605 0.3 . 1 . . . B 37 GLN CG . 17784 1 2126 . 2 2 37 37 GLN N N 15 121.418 0.3 . 1 . . . B 37 GLN N . 17784 1 2127 . 2 2 37 37 GLN NE2 N 15 112.080 0.3 . 1 . . . B 37 GLN NE2 . 17784 1 2128 . 2 2 38 38 LYS H H 1 8.443 0.020 . 1 . . . B 38 LYS H . 17784 1 2129 . 2 2 38 38 LYS HA H 1 3.985 0.020 . 1 . . . B 38 LYS HA . 17784 1 2130 . 2 2 38 38 LYS HB2 H 1 1.807 0.020 . 2 . . . B 38 LYS HB2 . 17784 1 2131 . 2 2 38 38 LYS HB3 H 1 1.825 0.020 . 2 . . . B 38 LYS HB3 . 17784 1 2132 . 2 2 38 38 LYS HG2 H 1 1.539 0.020 . 2 . . . B 38 LYS HG2 . 17784 1 2133 . 2 2 38 38 LYS HG3 H 1 1.470 0.020 . 2 . . . B 38 LYS HG3 . 17784 1 2134 . 2 2 38 38 LYS HD2 H 1 1.675 0.020 . 1 . . . B 38 LYS HD2 . 17784 1 2135 . 2 2 38 38 LYS HD3 H 1 1.675 0.020 . 1 . . . B 38 LYS HD3 . 17784 1 2136 . 2 2 38 38 LYS HE2 H 1 2.968 0.020 . 1 . . . B 38 LYS HE2 . 17784 1 2137 . 2 2 38 38 LYS HE3 H 1 2.968 0.020 . 1 . . . B 38 LYS HE3 . 17784 1 2138 . 2 2 38 38 LYS C C 13 179.007 0.3 . 1 . . . B 38 LYS C . 17784 1 2139 . 2 2 38 38 LYS CA C 13 59.160 0.3 . 1 . . . B 38 LYS CA . 17784 1 2140 . 2 2 38 38 LYS CB C 13 31.695 0.3 . 1 . . . B 38 LYS CB . 17784 1 2141 . 2 2 38 38 LYS CG C 13 25.051 0.3 . 1 . . . B 38 LYS CG . 17784 1 2142 . 2 2 38 38 LYS CD C 13 28.720 0.3 . 1 . . . B 38 LYS CD . 17784 1 2143 . 2 2 38 38 LYS CE C 13 42.088 0.3 . 1 . . . B 38 LYS CE . 17784 1 2144 . 2 2 38 38 LYS N N 15 117.107 0.3 . 1 . . . B 38 LYS N . 17784 1 2145 . 2 2 39 39 THR H H 1 7.610 0.020 . 1 . . . B 39 THR H . 17784 1 2146 . 2 2 39 39 THR HA H 1 3.800 0.020 . 1 . . . B 39 THR HA . 17784 1 2147 . 2 2 39 39 THR HB H 1 3.996 0.020 . 1 . . . B 39 THR HB . 17784 1 2148 . 2 2 39 39 THR HG21 H 1 1.072 0.020 . 1 . . . B 39 THR HG21 . 17784 1 2149 . 2 2 39 39 THR HG22 H 1 1.072 0.020 . 1 . . . B 39 THR HG22 . 17784 1 2150 . 2 2 39 39 THR HG23 H 1 1.072 0.020 . 1 . . . B 39 THR HG23 . 17784 1 2151 . 2 2 39 39 THR C C 13 175.621 0.3 . 1 . . . B 39 THR C . 17784 1 2152 . 2 2 39 39 THR CA C 13 67.238 0.3 . 1 . . . B 39 THR CA . 17784 1 2153 . 2 2 39 39 THR CB C 13 69.537 0.3 . 1 . . . B 39 THR CB . 17784 1 2154 . 2 2 39 39 THR CG2 C 13 22.503 0.3 . 1 . . . B 39 THR CG2 . 17784 1 2155 . 2 2 39 39 THR N N 15 113.151 0.3 . 1 . . . B 39 THR N . 17784 1 2156 . 2 2 40 40 ILE H H 1 7.132 0.020 . 1 . . . B 40 ILE H . 17784 1 2157 . 2 2 40 40 ILE HA H 1 3.749 0.020 . 1 . . . B 40 ILE HA . 17784 1 2158 . 2 2 40 40 ILE HB H 1 1.899 0.020 . 1 . . . B 40 ILE HB . 17784 1 2159 . 2 2 40 40 ILE HG12 H 1 1.475 0.020 . 2 . . . B 40 ILE HG12 . 17784 1 2160 . 2 2 40 40 ILE HG13 H 1 1.290 0.020 . 2 . . . B 40 ILE HG13 . 17784 1 2161 . 2 2 40 40 ILE HG21 H 1 0.683 0.020 . 1 . . . B 40 ILE HG21 . 17784 1 2162 . 2 2 40 40 ILE HG22 H 1 0.683 0.020 . 1 . . . B 40 ILE HG22 . 17784 1 2163 . 2 2 40 40 ILE HG23 H 1 0.683 0.020 . 1 . . . B 40 ILE HG23 . 17784 1 2164 . 2 2 40 40 ILE HD11 H 1 0.569 0.020 . 1 . . . B 40 ILE HD11 . 17784 1 2165 . 2 2 40 40 ILE HD12 H 1 0.569 0.020 . 1 . . . B 40 ILE HD12 . 17784 1 2166 . 2 2 40 40 ILE HD13 H 1 0.569 0.020 . 1 . . . B 40 ILE HD13 . 17784 1 2167 . 2 2 40 40 ILE C C 13 176.415 0.3 . 1 . . . B 40 ILE C . 17784 1 2168 . 2 2 40 40 ILE CA C 13 61.895 0.3 . 1 . . . B 40 ILE CA . 17784 1 2169 . 2 2 40 40 ILE CB C 13 36.414 0.3 . 1 . . . B 40 ILE CB . 17784 1 2170 . 2 2 40 40 ILE CG1 C 13 27.284 0.3 . 1 . . . B 40 ILE CG1 . 17784 1 2171 . 2 2 40 40 ILE CG2 C 13 18.774 0.3 . 1 . . . B 40 ILE CG2 . 17784 1 2172 . 2 2 40 40 ILE CD1 C 13 13.178 0.3 . 1 . . . B 40 ILE CD1 . 17784 1 2173 . 2 2 40 40 ILE N N 15 114.958 0.3 . 1 . . . B 40 ILE N . 17784 1 2174 . 2 2 41 41 GLU H H 1 7.117 0.020 . 1 . . . B 41 GLU H . 17784 1 2175 . 2 2 41 41 GLU HA H 1 4.127 0.020 . 1 . . . B 41 GLU HA . 17784 1 2176 . 2 2 41 41 GLU HB2 H 1 1.902 0.020 . 2 . . . B 41 GLU HB2 . 17784 1 2177 . 2 2 41 41 GLU HB3 H 1 2.117 0.020 . 2 . . . B 41 GLU HB3 . 17784 1 2178 . 2 2 41 41 GLU HG2 H 1 2.387 0.020 . 1 . . . B 41 GLU HG2 . 17784 1 2179 . 2 2 41 41 GLU HG3 H 1 2.387 0.020 . 1 . . . B 41 GLU HG3 . 17784 1 2180 . 2 2 41 41 GLU C C 13 176.616 0.3 . 1 . . . B 41 GLU C . 17784 1 2181 . 2 2 41 41 GLU CA C 13 56.205 0.3 . 1 . . . B 41 GLU CA . 17784 1 2182 . 2 2 41 41 GLU CB C 13 30.398 0.3 . 1 . . . B 41 GLU CB . 17784 1 2183 . 2 2 41 41 GLU CG C 13 36.510 0.3 . 1 . . . B 41 GLU CG . 17784 1 2184 . 2 2 41 41 GLU N N 15 118.462 0.3 . 1 . . . B 41 GLU N . 17784 1 2185 . 2 2 42 42 GLU H H 1 7.057 0.020 . 1 . . . B 42 GLU H . 17784 1 2186 . 2 2 42 42 GLU HA H 1 4.138 0.020 . 1 . . . B 42 GLU HA . 17784 1 2187 . 2 2 42 42 GLU HB2 H 1 1.985 0.020 . 1 . . . B 42 GLU HB2 . 17784 1 2188 . 2 2 42 42 GLU HB3 H 1 1.985 0.020 . 1 . . . B 42 GLU HB3 . 17784 1 2189 . 2 2 42 42 GLU HG2 H 1 2.416 0.020 . 2 . . . B 42 GLU HG2 . 17784 1 2190 . 2 2 42 42 GLU HG3 H 1 2.480 0.020 . 2 . . . B 42 GLU HG3 . 17784 1 2191 . 2 2 42 42 GLU C C 13 176.811 0.3 . 1 . . . B 42 GLU C . 17784 1 2192 . 2 2 42 42 GLU CA C 13 56.154 0.3 . 1 . . . B 42 GLU CA . 17784 1 2193 . 2 2 42 42 GLU CB C 13 30.896 0.3 . 1 . . . B 42 GLU CB . 17784 1 2194 . 2 2 42 42 GLU CG C 13 36.385 0.3 . 1 . . . B 42 GLU CG . 17784 1 2195 . 2 2 42 42 GLU N N 15 120.052 0.3 . 1 . . . B 42 GLU N . 17784 1 2196 . 2 2 43 43 GLN H H 1 8.557 0.020 . 1 . . . B 43 GLN H . 17784 1 2197 . 2 2 43 43 GLN HA H 1 4.114 0.020 . 1 . . . B 43 GLN HA . 17784 1 2198 . 2 2 43 43 GLN HB2 H 1 1.961 0.020 . 2 . . . B 43 GLN HB2 . 17784 1 2199 . 2 2 43 43 GLN HB3 H 1 1.916 0.020 . 2 . . . B 43 GLN HB3 . 17784 1 2200 . 2 2 43 43 GLN HG2 H 1 2.364 0.020 . 1 . . . B 43 GLN HG2 . 17784 1 2201 . 2 2 43 43 GLN HG3 H 1 2.364 0.020 . 1 . . . B 43 GLN HG3 . 17784 1 2202 . 2 2 43 43 GLN HE21 H 1 7.717 0.020 . 1 . . . B 43 GLN HE21 . 17784 1 2203 . 2 2 43 43 GLN HE22 H 1 6.824 0.020 . 1 . . . B 43 GLN HE22 . 17784 1 2204 . 2 2 43 43 GLN C C 13 176.198 0.3 . 1 . . . B 43 GLN C . 17784 1 2205 . 2 2 43 43 GLN CA C 13 55.861 0.3 . 1 . . . B 43 GLN CA . 17784 1 2206 . 2 2 43 43 GLN CB C 13 28.830 0.3 . 1 . . . B 43 GLN CB . 17784 1 2207 . 2 2 43 43 GLN CG C 13 33.659 0.3 . 1 . . . B 43 GLN CG . 17784 1 2208 . 2 2 43 43 GLN N N 15 123.751 0.3 . 1 . . . B 43 GLN N . 17784 1 2209 . 2 2 43 43 GLN NE2 N 15 113.215 0.3 . 1 . . . B 43 GLN NE2 . 17784 1 2210 . 2 2 44 44 VAL H H 1 8.584 0.020 . 1 . . . B 44 VAL H . 17784 1 2211 . 2 2 44 44 VAL HA H 1 3.938 0.020 . 1 . . . B 44 VAL HA . 17784 1 2212 . 2 2 44 44 VAL HB H 1 1.949 0.020 . 1 . . . B 44 VAL HB . 17784 1 2213 . 2 2 44 44 VAL HG11 H 1 0.959 0.020 . 1 . . . B 44 VAL HG11 . 17784 1 2214 . 2 2 44 44 VAL HG12 H 1 0.959 0.020 . 1 . . . B 44 VAL HG12 . 17784 1 2215 . 2 2 44 44 VAL HG13 H 1 0.959 0.020 . 1 . . . B 44 VAL HG13 . 17784 1 2216 . 2 2 44 44 VAL HG21 H 1 0.761 0.020 . 1 . . . B 44 VAL HG21 . 17784 1 2217 . 2 2 44 44 VAL HG22 H 1 0.761 0.020 . 1 . . . B 44 VAL HG22 . 17784 1 2218 . 2 2 44 44 VAL HG23 H 1 0.761 0.020 . 1 . . . B 44 VAL HG23 . 17784 1 2219 . 2 2 44 44 VAL C C 13 173.781 0.3 . 1 . . . B 44 VAL C . 17784 1 2220 . 2 2 44 44 VAL CA C 13 61.374 0.3 . 1 . . . B 44 VAL CA . 17784 1 2221 . 2 2 44 44 VAL CB C 13 32.050 0.3 . 1 . . . B 44 VAL CB . 17784 1 2222 . 2 2 44 44 VAL CG1 C 13 22.218 0.3 . 1 . . . B 44 VAL CG1 . 17784 1 2223 . 2 2 44 44 VAL CG2 C 13 22.425 0.3 . 1 . . . B 44 VAL CG2 . 17784 1 2224 . 2 2 44 44 VAL N N 15 126.691 0.3 . 1 . . . B 44 VAL N . 17784 1 2225 . 2 2 45 45 PRO HA H 1 4.329 0.020 . 1 . . . B 45 PRO HA . 17784 1 2226 . 2 2 45 45 PRO HB2 H 1 2.550 0.020 . 2 . . . B 45 PRO HB2 . 17784 1 2227 . 2 2 45 45 PRO HB3 H 1 2.537 0.020 . 2 . . . B 45 PRO HB3 . 17784 1 2228 . 2 2 45 45 PRO HG2 H 1 2.073 0.020 . 2 . . . B 45 PRO HG2 . 17784 1 2229 . 2 2 45 45 PRO HG3 H 1 1.951 0.020 . 2 . . . B 45 PRO HG3 . 17784 1 2230 . 2 2 45 45 PRO HD2 H 1 3.955 0.020 . 2 . . . B 45 PRO HD2 . 17784 1 2231 . 2 2 45 45 PRO HD3 H 1 3.743 0.020 . 2 . . . B 45 PRO HD3 . 17784 1 2232 . 2 2 45 45 PRO C C 13 177.782 0.3 . 1 . . . B 45 PRO C . 17784 1 2233 . 2 2 45 45 PRO CA C 13 63.158 0.3 . 1 . . . B 45 PRO CA . 17784 1 2234 . 2 2 45 45 PRO CB C 13 33.342 0.3 . 1 . . . B 45 PRO CB . 17784 1 2235 . 2 2 45 45 PRO CG C 13 28.010 0.3 . 1 . . . B 45 PRO CG . 17784 1 2236 . 2 2 45 45 PRO CD C 13 51.255 0.3 . 1 . . . B 45 PRO CD . 17784 1 2237 . 2 2 46 46 ASP H H 1 8.856 0.020 . 1 . . . B 46 ASP H . 17784 1 2238 . 2 2 46 46 ASP HA H 1 4.220 0.020 . 1 . . . B 46 ASP HA . 17784 1 2239 . 2 2 46 46 ASP HB2 H 1 2.538 0.020 . 2 . . . B 46 ASP HB2 . 17784 1 2240 . 2 2 46 46 ASP HB3 H 1 2.673 0.020 . 2 . . . B 46 ASP HB3 . 17784 1 2241 . 2 2 46 46 ASP C C 13 177.904 0.3 . 1 . . . B 46 ASP C . 17784 1 2242 . 2 2 46 46 ASP CA C 13 58.082 0.3 . 1 . . . B 46 ASP CA . 17784 1 2243 . 2 2 46 46 ASP CB C 13 40.505 0.3 . 1 . . . B 46 ASP CB . 17784 1 2244 . 2 2 46 46 ASP N N 15 125.229 0.3 . 1 . . . B 46 ASP N . 17784 1 2245 . 2 2 47 47 GLU H H 1 9.414 0.020 . 1 . . . B 47 GLU H . 17784 1 2246 . 2 2 47 47 GLU HA H 1 4.140 0.020 . 1 . . . B 47 GLU HA . 17784 1 2247 . 2 2 47 47 GLU HB2 H 1 1.953 0.020 . 1 . . . B 47 GLU HB2 . 17784 1 2248 . 2 2 47 47 GLU HB3 H 1 1.953 0.020 . 1 . . . B 47 GLU HB3 . 17784 1 2249 . 2 2 47 47 GLU HG2 H 1 2.240 0.020 . 2 . . . B 47 GLU HG2 . 17784 1 2250 . 2 2 47 47 GLU HG3 H 1 2.280 0.020 . 2 . . . B 47 GLU HG3 . 17784 1 2251 . 2 2 47 47 GLU C C 13 179.690 0.3 . 1 . . . B 47 GLU C . 17784 1 2252 . 2 2 47 47 GLU CA C 13 59.409 0.3 . 1 . . . B 47 GLU CA . 17784 1 2253 . 2 2 47 47 GLU CB C 13 28.722 0.3 . 1 . . . B 47 GLU CB . 17784 1 2254 . 2 2 47 47 GLU CG C 13 36.230 0.3 . 1 . . . B 47 GLU CG . 17784 1 2255 . 2 2 47 47 GLU N N 15 116.850 0.3 . 1 . . . B 47 GLU N . 17784 1 2256 . 2 2 48 48 MET H H 1 7.424 0.020 . 1 . . . B 48 MET H . 17784 1 2257 . 2 2 48 48 MET HA H 1 4.040 0.020 . 1 . . . B 48 MET HA . 17784 1 2258 . 2 2 48 48 MET HB2 H 1 1.579 0.020 . 1 . . . B 48 MET HB2 . 17784 1 2259 . 2 2 48 48 MET HB3 H 1 1.579 0.020 . 1 . . . B 48 MET HB3 . 17784 1 2260 . 2 2 48 48 MET HG2 H 1 2.582 0.020 . 1 . . . B 48 MET HG2 . 17784 1 2261 . 2 2 48 48 MET HG3 H 1 2.582 0.020 . 1 . . . B 48 MET HG3 . 17784 1 2262 . 2 2 48 48 MET HE1 H 1 2.131 0.020 . 1 . . . B 48 MET HE1 . 17784 1 2263 . 2 2 48 48 MET HE2 H 1 2.131 0.020 . 1 . . . B 48 MET HE2 . 17784 1 2264 . 2 2 48 48 MET HE3 H 1 2.131 0.020 . 1 . . . B 48 MET HE3 . 17784 1 2265 . 2 2 48 48 MET C C 13 177.155 0.3 . 1 . . . B 48 MET C . 17784 1 2266 . 2 2 48 48 MET CA C 13 59.219 0.3 . 1 . . . B 48 MET CA . 17784 1 2267 . 2 2 48 48 MET CB C 13 31.918 0.3 . 1 . . . B 48 MET CB . 17784 1 2268 . 2 2 48 48 MET CG C 13 35.282 0.3 . 1 . . . B 48 MET CG . 17784 1 2269 . 2 2 48 48 MET CE C 13 18.714 0.3 . 1 . . . B 48 MET CE . 17784 1 2270 . 2 2 48 48 MET N N 15 115.509 0.3 . 1 . . . B 48 MET N . 17784 1 2271 . 2 2 49 49 LEU H H 1 7.509 0.020 . 1 . . . B 49 LEU H . 17784 1 2272 . 2 2 49 49 LEU HA H 1 3.883 0.020 . 1 . . . B 49 LEU HA . 17784 1 2273 . 2 2 49 49 LEU HB2 H 1 1.510 0.020 . 2 . . . B 49 LEU HB2 . 17784 1 2274 . 2 2 49 49 LEU HB3 H 1 1.871 0.020 . 2 . . . B 49 LEU HB3 . 17784 1 2275 . 2 2 49 49 LEU HG H 1 0.905 0.020 . 1 . . . B 49 LEU HG . 17784 1 2276 . 2 2 49 49 LEU HD11 H 1 0.869 0.020 . 1 . . . B 49 LEU HD11 . 17784 1 2277 . 2 2 49 49 LEU HD12 H 1 0.869 0.020 . 1 . . . B 49 LEU HD12 . 17784 1 2278 . 2 2 49 49 LEU HD13 H 1 0.869 0.020 . 1 . . . B 49 LEU HD13 . 17784 1 2279 . 2 2 49 49 LEU HD21 H 1 0.768 0.020 . 1 . . . B 49 LEU HD21 . 17784 1 2280 . 2 2 49 49 LEU HD22 H 1 0.768 0.020 . 1 . . . B 49 LEU HD22 . 17784 1 2281 . 2 2 49 49 LEU HD23 H 1 0.768 0.020 . 1 . . . B 49 LEU HD23 . 17784 1 2282 . 2 2 49 49 LEU C C 13 179.486 0.3 . 1 . . . B 49 LEU C . 17784 1 2283 . 2 2 49 49 LEU CA C 13 57.948 0.3 . 1 . . . B 49 LEU CA . 17784 1 2284 . 2 2 49 49 LEU CB C 13 40.524 0.3 . 1 . . . B 49 LEU CB . 17784 1 2285 . 2 2 49 49 LEU CG C 13 25.294 0.3 . 1 . . . B 49 LEU CG . 17784 1 2286 . 2 2 49 49 LEU CD1 C 13 23.472 0.3 . 1 . . . B 49 LEU CD1 . 17784 1 2287 . 2 2 49 49 LEU CD2 C 13 22.491 0.3 . 1 . . . B 49 LEU CD2 . 17784 1 2288 . 2 2 49 49 LEU N N 15 120.007 0.3 . 1 . . . B 49 LEU N . 17784 1 2289 . 2 2 50 50 ASP H H 1 8.412 0.020 . 1 . . . B 50 ASP H . 17784 1 2290 . 2 2 50 50 ASP HA H 1 4.331 0.020 . 1 . . . B 50 ASP HA . 17784 1 2291 . 2 2 50 50 ASP HB2 H 1 2.539 0.020 . 2 . . . B 50 ASP HB2 . 17784 1 2292 . 2 2 50 50 ASP HB3 H 1 2.660 0.020 . 2 . . . B 50 ASP HB3 . 17784 1 2293 . 2 2 50 50 ASP C C 13 178.881 0.3 . 1 . . . B 50 ASP C . 17784 1 2294 . 2 2 50 50 ASP CA C 13 57.361 0.3 . 1 . . . B 50 ASP CA . 17784 1 2295 . 2 2 50 50 ASP CB C 13 40.975 0.3 . 1 . . . B 50 ASP CB . 17784 1 2296 . 2 2 50 50 ASP N N 15 118.443 0.3 . 1 . . . B 50 ASP N . 17784 1 2297 . 2 2 51 51 LEU H H 1 6.918 0.020 . 1 . . . B 51 LEU H . 17784 1 2298 . 2 2 51 51 LEU HA H 1 3.986 0.020 . 1 . . . B 51 LEU HA . 17784 1 2299 . 2 2 51 51 LEU HB2 H 1 1.193 0.020 . 2 . . . B 51 LEU HB2 . 17784 1 2300 . 2 2 51 51 LEU HB3 H 1 2.034 0.020 . 2 . . . B 51 LEU HB3 . 17784 1 2301 . 2 2 51 51 LEU HG H 1 1.933 0.020 . 1 . . . B 51 LEU HG . 17784 1 2302 . 2 2 51 51 LEU HD11 H 1 0.984 0.020 . 1 . . . B 51 LEU HD11 . 17784 1 2303 . 2 2 51 51 LEU HD12 H 1 0.984 0.020 . 1 . . . B 51 LEU HD12 . 17784 1 2304 . 2 2 51 51 LEU HD13 H 1 0.984 0.020 . 1 . . . B 51 LEU HD13 . 17784 1 2305 . 2 2 51 51 LEU HD21 H 1 0.872 0.020 . 1 . . . B 51 LEU HD21 . 17784 1 2306 . 2 2 51 51 LEU HD22 H 1 0.872 0.020 . 1 . . . B 51 LEU HD22 . 17784 1 2307 . 2 2 51 51 LEU HD23 H 1 0.872 0.020 . 1 . . . B 51 LEU HD23 . 17784 1 2308 . 2 2 51 51 LEU C C 13 178.678 0.3 . 1 . . . B 51 LEU C . 17784 1 2309 . 2 2 51 51 LEU CA C 13 58.075 0.3 . 1 . . . B 51 LEU CA . 17784 1 2310 . 2 2 51 51 LEU CB C 13 42.422 0.3 . 1 . . . B 51 LEU CB . 17784 1 2311 . 2 2 51 51 LEU CG C 13 27.317 0.3 . 1 . . . B 51 LEU CG . 17784 1 2312 . 2 2 51 51 LEU CD1 C 13 27.138 0.3 . 1 . . . B 51 LEU CD1 . 17784 1 2313 . 2 2 51 51 LEU CD2 C 13 23.863 0.3 . 1 . . . B 51 LEU CD2 . 17784 1 2314 . 2 2 51 51 LEU N N 15 118.483 0.3 . 1 . . . B 51 LEU N . 17784 1 2315 . 2 2 52 52 LEU H H 1 7.700 0.020 . 1 . . . B 52 LEU H . 17784 1 2316 . 2 2 52 52 LEU HA H 1 3.876 0.020 . 1 . . . B 52 LEU HA . 17784 1 2317 . 2 2 52 52 LEU HB2 H 1 1.975 0.020 . 2 . . . B 52 LEU HB2 . 17784 1 2318 . 2 2 52 52 LEU HB3 H 1 1.376 0.020 . 2 . . . B 52 LEU HB3 . 17784 1 2319 . 2 2 52 52 LEU HG H 1 1.825 0.020 . 1 . . . B 52 LEU HG . 17784 1 2320 . 2 2 52 52 LEU HD11 H 1 0.876 0.020 . 1 . . . B 52 LEU HD11 . 17784 1 2321 . 2 2 52 52 LEU HD12 H 1 0.876 0.020 . 1 . . . B 52 LEU HD12 . 17784 1 2322 . 2 2 52 52 LEU HD13 H 1 0.876 0.020 . 1 . . . B 52 LEU HD13 . 17784 1 2323 . 2 2 52 52 LEU HD21 H 1 0.732 0.020 . 1 . . . B 52 LEU HD21 . 17784 1 2324 . 2 2 52 52 LEU HD22 H 1 0.732 0.020 . 1 . . . B 52 LEU HD22 . 17784 1 2325 . 2 2 52 52 LEU HD23 H 1 0.732 0.020 . 1 . . . B 52 LEU HD23 . 17784 1 2326 . 2 2 52 52 LEU C C 13 180.304 0.3 . 1 . . . B 52 LEU C . 17784 1 2327 . 2 2 52 52 LEU CA C 13 58.043 0.3 . 1 . . . B 52 LEU CA . 17784 1 2328 . 2 2 52 52 LEU CB C 13 40.890 0.3 . 1 . . . B 52 LEU CB . 17784 1 2329 . 2 2 52 52 LEU CG C 13 26.206 0.3 . 1 . . . B 52 LEU CG . 17784 1 2330 . 2 2 52 52 LEU CD1 C 13 23.615 0.3 . 1 . . . B 52 LEU CD1 . 17784 1 2331 . 2 2 52 52 LEU CD2 C 13 25.747 0.3 . 1 . . . B 52 LEU CD2 . 17784 1 2332 . 2 2 52 52 LEU N N 15 116.807 0.3 . 1 . . . B 52 LEU N . 17784 1 2333 . 2 2 53 53 ASN H H 1 8.103 0.020 . 1 . . . B 53 ASN H . 17784 1 2334 . 2 2 53 53 ASN HA H 1 4.434 0.020 . 1 . . . B 53 ASN HA . 17784 1 2335 . 2 2 53 53 ASN HB2 H 1 2.928 0.020 . 2 . . . B 53 ASN HB2 . 17784 1 2336 . 2 2 53 53 ASN HB3 H 1 2.844 0.020 . 2 . . . B 53 ASN HB3 . 17784 1 2337 . 2 2 53 53 ASN HD21 H 1 7.699 0.020 . 1 . . . B 53 ASN HD21 . 17784 1 2338 . 2 2 53 53 ASN HD22 H 1 6.783 0.020 . 1 . . . B 53 ASN HD22 . 17784 1 2339 . 2 2 53 53 ASN C C 13 177.479 0.3 . 1 . . . B 53 ASN C . 17784 1 2340 . 2 2 53 53 ASN CA C 13 55.288 0.3 . 1 . . . B 53 ASN CA . 17784 1 2341 . 2 2 53 53 ASN CB C 13 37.923 0.3 . 1 . . . B 53 ASN CB . 17784 1 2342 . 2 2 53 53 ASN N N 15 117.281 0.3 . 1 . . . B 53 ASN N . 17784 1 2343 . 2 2 53 53 ASN ND2 N 15 112.248 0.3 . 1 . . . B 53 ASN ND2 . 17784 1 2344 . 2 2 54 54 LYS H H 1 7.549 0.020 . 1 . . . B 54 LYS H . 17784 1 2345 . 2 2 54 54 LYS HA H 1 4.198 0.020 . 1 . . . B 54 LYS HA . 17784 1 2346 . 2 2 54 54 LYS HB2 H 1 1.689 0.020 . 2 . . . B 54 LYS HB2 . 17784 1 2347 . 2 2 54 54 LYS HB3 H 1 1.614 0.020 . 2 . . . B 54 LYS HB3 . 17784 1 2348 . 2 2 54 54 LYS HG2 H 1 1.509 0.020 . 2 . . . B 54 LYS HG2 . 17784 1 2349 . 2 2 54 54 LYS HG3 H 1 1.727 0.020 . 2 . . . B 54 LYS HG3 . 17784 1 2350 . 2 2 54 54 LYS HE2 H 1 2.931 0.020 . 1 . . . B 54 LYS HE2 . 17784 1 2351 . 2 2 54 54 LYS HE3 H 1 2.931 0.020 . 1 . . . B 54 LYS HE3 . 17784 1 2352 . 2 2 54 54 LYS C C 13 177.907 0.3 . 1 . . . B 54 LYS C . 17784 1 2353 . 2 2 54 54 LYS CA C 13 57.932 0.3 . 1 . . . B 54 LYS CA . 17784 1 2354 . 2 2 54 54 LYS CB C 13 32.590 0.3 . 1 . . . B 54 LYS CB . 17784 1 2355 . 2 2 54 54 LYS CG C 13 25.773 0.3 . 1 . . . B 54 LYS CG . 17784 1 2356 . 2 2 54 54 LYS CE C 13 42.181 0.3 . 1 . . . B 54 LYS CE . 17784 1 2357 . 2 2 54 54 LYS N N 15 118.878 0.3 . 1 . . . B 54 LYS N . 17784 1 2358 . 2 2 55 55 LEU H H 1 7.461 0.020 . 1 . . . B 55 LEU H . 17784 1 2359 . 2 2 55 55 LEU HA H 1 4.496 0.020 . 1 . . . B 55 LEU HA . 17784 1 2360 . 2 2 55 55 LEU HB2 H 1 1.886 0.020 . 2 . . . B 55 LEU HB2 . 17784 1 2361 . 2 2 55 55 LEU HB3 H 1 1.385 0.020 . 2 . . . B 55 LEU HB3 . 17784 1 2362 . 2 2 55 55 LEU HG H 1 1.791 0.020 . 1 . . . B 55 LEU HG . 17784 1 2363 . 2 2 55 55 LEU HD11 H 1 0.766 0.020 . 1 . . . B 55 LEU HD11 . 17784 1 2364 . 2 2 55 55 LEU HD12 H 1 0.766 0.020 . 1 . . . B 55 LEU HD12 . 17784 1 2365 . 2 2 55 55 LEU HD13 H 1 0.766 0.020 . 1 . . . B 55 LEU HD13 . 17784 1 2366 . 2 2 55 55 LEU HD21 H 1 0.736 0.020 . 1 . . . B 55 LEU HD21 . 17784 1 2367 . 2 2 55 55 LEU HD22 H 1 0.736 0.020 . 1 . . . B 55 LEU HD22 . 17784 1 2368 . 2 2 55 55 LEU HD23 H 1 0.736 0.020 . 1 . . . B 55 LEU HD23 . 17784 1 2369 . 2 2 55 55 LEU C C 13 176.584 0.3 . 1 . . . B 55 LEU C . 17784 1 2370 . 2 2 55 55 LEU CA C 13 53.840 0.3 . 1 . . . B 55 LEU CA . 17784 1 2371 . 2 2 55 55 LEU CB C 13 40.800 0.3 . 1 . . . B 55 LEU CB . 17784 1 2372 . 2 2 55 55 LEU CG C 13 25.408 0.3 . 1 . . . B 55 LEU CG . 17784 1 2373 . 2 2 55 55 LEU CD1 C 13 23.875 0.3 . 1 . . . B 55 LEU CD1 . 17784 1 2374 . 2 2 55 55 LEU N N 15 120.666 0.3 . 1 . . . B 55 LEU N . 17784 1 2375 . 2 2 56 56 ALA H H 1 7.630 0.020 . 1 . . . B 56 ALA H . 17784 1 2376 . 2 2 56 56 ALA HA H 1 4.374 0.020 . 1 . . . B 56 ALA HA . 17784 1 2377 . 2 2 56 56 ALA HB1 H 1 1.437 0.020 . 1 . . . B 56 ALA HB1 . 17784 1 2378 . 2 2 56 56 ALA HB2 H 1 1.437 0.020 . 1 . . . B 56 ALA HB2 . 17784 1 2379 . 2 2 56 56 ALA HB3 H 1 1.437 0.020 . 1 . . . B 56 ALA HB3 . 17784 1 2380 . 2 2 56 56 ALA C C 13 177.003 0.3 . 1 . . . B 56 ALA C . 17784 1 2381 . 2 2 56 56 ALA CA C 13 52.737 0.3 . 1 . . . B 56 ALA CA . 17784 1 2382 . 2 2 56 56 ALA CB C 13 18.967 0.3 . 1 . . . B 56 ALA CB . 17784 1 2383 . 2 2 56 56 ALA N N 15 124.628 0.3 . 1 . . . B 56 ALA N . 17784 1 2384 . 2 2 57 57 LEU H H 1 7.573 0.020 . 1 . . . B 57 LEU H . 17784 1 2385 . 2 2 57 57 LEU HA H 1 4.348 0.020 . 1 . . . B 57 LEU HA . 17784 1 2386 . 2 2 57 57 LEU HB2 H 1 1.749 0.020 . 2 . . . B 57 LEU HB2 . 17784 1 2387 . 2 2 57 57 LEU HB3 H 1 1.614 0.020 . 2 . . . B 57 LEU HB3 . 17784 1 2388 . 2 2 57 57 LEU HD11 H 1 0.890 0.020 . 1 . . . B 57 LEU HD11 . 17784 1 2389 . 2 2 57 57 LEU HD12 H 1 0.890 0.020 . 1 . . . B 57 LEU HD12 . 17784 1 2390 . 2 2 57 57 LEU HD13 H 1 0.890 0.020 . 1 . . . B 57 LEU HD13 . 17784 1 2391 . 2 2 57 57 LEU C C 13 175.812 0.3 . 1 . . . B 57 LEU C . 17784 1 2392 . 2 2 57 57 LEU CA C 13 55.147 0.3 . 1 . . . B 57 LEU CA . 17784 1 2393 . 2 2 57 57 LEU CB C 13 42.248 0.3 . 1 . . . B 57 LEU CB . 17784 1 2394 . 2 2 57 57 LEU CD1 C 13 24.320 0.3 . 1 . . . B 57 LEU CD1 . 17784 1 2395 . 2 2 57 57 LEU N N 15 119.043 0.3 . 1 . . . B 57 LEU N . 17784 1 2396 . 2 2 58 58 GLU H H 1 8.292 0.020 . 1 . . . B 58 GLU H . 17784 1 2397 . 2 2 58 58 GLU HA H 1 4.431 0.020 . 1 . . . B 58 GLU HA . 17784 1 2398 . 2 2 58 58 GLU HB2 H 1 1.851 0.020 . 2 . . . B 58 GLU HB2 . 17784 1 2399 . 2 2 58 58 GLU HB3 H 1 2.007 0.020 . 2 . . . B 58 GLU HB3 . 17784 1 2400 . 2 2 58 58 GLU HG2 H 1 2.252 0.020 . 2 . . . B 58 GLU HG2 . 17784 1 2401 . 2 2 58 58 GLU HG3 H 1 2.290 0.020 . 2 . . . B 58 GLU HG3 . 17784 1 2402 . 2 2 58 58 GLU C C 13 176.211 0.3 . 1 . . . B 58 GLU C . 17784 1 2403 . 2 2 58 58 GLU CA C 13 55.288 0.3 . 1 . . . B 58 GLU CA . 17784 1 2404 . 2 2 58 58 GLU CB C 13 30.453 0.3 . 1 . . . B 58 GLU CB . 17784 1 2405 . 2 2 58 58 GLU CG C 13 35.593 0.3 . 1 . . . B 58 GLU CG . 17784 1 2406 . 2 2 58 58 GLU N N 15 120.784 0.3 . 1 . . . B 58 GLU N . 17784 1 2407 . 2 2 59 59 LEU H H 1 8.569 0.020 . 1 . . . B 59 LEU H . 17784 1 2408 . 2 2 59 59 LEU HA H 1 4.440 0.020 . 1 . . . B 59 LEU HA . 17784 1 2409 . 2 2 59 59 LEU HB2 H 1 1.575 0.020 . 2 . . . B 59 LEU HB2 . 17784 1 2410 . 2 2 59 59 LEU HB3 H 1 1.624 0.020 . 2 . . . B 59 LEU HB3 . 17784 1 2411 . 2 2 59 59 LEU HD21 H 1 0.958 0.020 . 1 . . . B 59 LEU HD21 . 17784 1 2412 . 2 2 59 59 LEU HD22 H 1 0.958 0.020 . 1 . . . B 59 LEU HD22 . 17784 1 2413 . 2 2 59 59 LEU HD23 H 1 0.958 0.020 . 1 . . . B 59 LEU HD23 . 17784 1 2414 . 2 2 59 59 LEU C C 13 176.758 0.3 . 1 . . . B 59 LEU C . 17784 1 2415 . 2 2 59 59 LEU CA C 13 55.124 0.3 . 1 . . . B 59 LEU CA . 17784 1 2416 . 2 2 59 59 LEU CB C 13 42.304 0.3 . 1 . . . B 59 LEU CB . 17784 1 2417 . 2 2 59 59 LEU CD2 C 13 25.265 0.3 . 1 . . . B 59 LEU CD2 . 17784 1 2418 . 2 2 59 59 LEU N N 15 124.198 0.3 . 1 . . . B 59 LEU N . 17784 1 2419 . 2 2 60 60 VAL H H 1 8.087 0.020 . 1 . . . B 60 VAL H . 17784 1 2420 . 2 2 60 60 VAL HA H 1 4.429 0.020 . 1 . . . B 60 VAL HA . 17784 1 2421 . 2 2 60 60 VAL HB H 1 2.083 0.020 . 1 . . . B 60 VAL HB . 17784 1 2422 . 2 2 60 60 VAL HG11 H 1 0.940 0.020 . 1 . . . B 60 VAL HG11 . 17784 1 2423 . 2 2 60 60 VAL HG12 H 1 0.940 0.020 . 1 . . . B 60 VAL HG12 . 17784 1 2424 . 2 2 60 60 VAL HG13 H 1 0.940 0.020 . 1 . . . B 60 VAL HG13 . 17784 1 2425 . 2 2 60 60 VAL HG21 H 1 0.976 0.020 . 1 . . . B 60 VAL HG21 . 17784 1 2426 . 2 2 60 60 VAL HG22 H 1 0.976 0.020 . 1 . . . B 60 VAL HG22 . 17784 1 2427 . 2 2 60 60 VAL HG23 H 1 0.976 0.020 . 1 . . . B 60 VAL HG23 . 17784 1 2428 . 2 2 60 60 VAL C C 13 174.215 0.3 . 1 . . . B 60 VAL C . 17784 1 2429 . 2 2 60 60 VAL CA C 13 59.799 0.3 . 1 . . . B 60 VAL CA . 17784 1 2430 . 2 2 60 60 VAL CB C 13 32.682 0.3 . 1 . . . B 60 VAL CB . 17784 1 2431 . 2 2 60 60 VAL CG1 C 13 20.360 0.3 . 1 . . . B 60 VAL CG1 . 17784 1 2432 . 2 2 60 60 VAL CG2 C 13 21.058 0.3 . 1 . . . B 60 VAL CG2 . 17784 1 2433 . 2 2 60 60 VAL N N 15 122.364 0.3 . 1 . . . B 60 VAL N . 17784 1 2434 . 2 2 61 61 PRO HA H 1 4.414 0.020 . 1 . . . B 61 PRO HA . 17784 1 2435 . 2 2 61 61 PRO HB2 H 1 2.286 0.020 . 1 . . . B 61 PRO HB2 . 17784 1 2436 . 2 2 61 61 PRO HB3 H 1 2.286 0.020 . 1 . . . B 61 PRO HB3 . 17784 1 2437 . 2 2 61 61 PRO HG2 H 1 1.981 0.020 . 2 . . . B 61 PRO HG2 . 17784 1 2438 . 2 2 61 61 PRO HG3 H 1 2.053 0.020 . 2 . . . B 61 PRO HG3 . 17784 1 2439 . 2 2 61 61 PRO HD2 H 1 3.685 0.020 . 2 . . . B 61 PRO HD2 . 17784 1 2440 . 2 2 61 61 PRO HD3 H 1 3.858 0.020 . 2 . . . B 61 PRO HD3 . 17784 1 2441 . 2 2 61 61 PRO CA C 13 63.324 0.3 . 1 . . . B 61 PRO CA . 17784 1 2442 . 2 2 61 61 PRO CB C 13 32.053 0.3 . 1 . . . B 61 PRO CB . 17784 1 2443 . 2 2 61 61 PRO CG C 13 27.357 0.3 . 1 . . . B 61 PRO CG . 17784 1 2444 . 2 2 61 61 PRO CD C 13 51.081 0.3 . 1 . . . B 61 PRO CD . 17784 1 2445 . 2 2 62 62 ARG H H 1 7.951 0.020 . 1 . . . B 62 ARG H . 17784 1 2446 . 2 2 62 62 ARG HA H 1 4.151 0.020 . 1 . . . B 62 ARG HA . 17784 1 2447 . 2 2 62 62 ARG HB2 H 1 1.700 0.020 . 1 . . . B 62 ARG HB2 . 17784 1 2448 . 2 2 62 62 ARG HB3 H 1 1.700 0.020 . 1 . . . B 62 ARG HB3 . 17784 1 2449 . 2 2 62 62 ARG HG2 H 1 1.621 0.020 . 1 . . . B 62 ARG HG2 . 17784 1 2450 . 2 2 62 62 ARG HG3 H 1 1.621 0.020 . 1 . . . B 62 ARG HG3 . 17784 1 2451 . 2 2 62 62 ARG HD2 H 1 3.183 0.020 . 1 . . . B 62 ARG HD2 . 17784 1 2452 . 2 2 62 62 ARG HD3 H 1 3.183 0.020 . 1 . . . B 62 ARG HD3 . 17784 1 2453 . 2 2 62 62 ARG C C 13 181.116 0.3 . 1 . . . B 62 ARG C . 17784 1 2454 . 2 2 62 62 ARG CA C 13 57.397 0.3 . 1 . . . B 62 ARG CA . 17784 1 2455 . 2 2 62 62 ARG CB C 13 31.671 0.3 . 1 . . . B 62 ARG CB . 17784 1 2456 . 2 2 62 62 ARG CG C 13 27.235 0.3 . 1 . . . B 62 ARG CG . 17784 1 2457 . 2 2 62 62 ARG CD C 13 43.528 0.3 . 1 . . . B 62 ARG CD . 17784 1 2458 . 2 2 62 62 ARG N N 15 126.605 0.3 . 1 . . . B 62 ARG N . 17784 1 stop_ save_