data_15952 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15952 _Entry.Title ; S100A13-C2A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-09-15 _Entry.Accession_date 2008-09-15 _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 . _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 Sepuru Mohan . K. . 15952 2 Sandhya Rani . G. . 15952 3 Sriramoju Kumar . M. . 15952 4 Chin Yu . . . 15952 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 . 'not applicable' 'not applicable' . 15952 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID C2A . 15952 'Protein-Protein complex' . 15952 S100A13 . 15952 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15952 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 529 15952 '15N chemical shifts' 134 15952 '1H chemical shifts' 869 15952 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 3 . . 2010-05-27 2008-09-15 update BMRB 'update entity/assembly name' 15952 2 . . 2009-03-23 2008-09-15 update BMRB 'complete entry citation' 15952 1 . . 2009-03-17 2008-09-15 original author 'original release' 15952 stop_ save_ ############### # Citations # ############### save_S100A13-C2A _Citation.Sf_category citations _Citation.Sf_framecode S100A13-C2A _Citation.Entry_ID 15952 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19284995 _Citation.Full_citation . _Citation.Title ; S100A13-C2A binary complex structure-a key component in the acidic fibroblast growth factor for the non-classical pathway ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and Biophysical Research Communications' _Citation.Journal_volume 380 _Citation.Journal_issue 3 _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 514 _Citation.Page_last 519 _Citation.Year 2009 _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 Sepuru Mohan . K. . 15952 1 2 Sandhya Rani . G. . 15952 1 3 Sriramoju Kumar . M. . 15952 1 4 Chin Yu . . . 15952 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15952 _Assembly.ID 1 _Assembly.Name 'S100A13-C2A binary complex' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 entity_1_1 1 $entity_1 A . yes native no no . . . 15952 1 2 entity_2_1 2 $entity_2 B . no native no no . . . 15952 1 3 entity_2_2 2 $entity_2 C . no native no no . . . 15952 1 4 entity_1_2 1 $entity_1 D . yes native no no . . . 15952 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 15952 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C2A domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EKLGKLQYSLDYDFQNNQLL VGIIQAAELPALDMGGTSDP YVKVFLLPDKKKKFETKVHR KTLNPVFNEQFTFKVPYSEL GGKTLVMAVYDFDRFSKHDI IGEFKVPMNTVDFGHVTEEW RDLQSAEK ; _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 128 _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 14784.028 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15785 . C2A . . . . . 100.00 128 100.00 100.00 1.20e-87 . . . . 15952 1 2 no BMRB 17102 . C2A . . . . . 98.44 143 99.21 100.00 1.69e-85 . . . . 15952 1 3 no BMRB 4039 . "synaptotagmin I C2A" . . . . . 100.00 128 100.00 100.00 1.20e-87 . . . . 15952 1 4 no BMRB 4041 . "synaptotagmin I C2A" . . . . . 100.00 128 100.00 100.00 1.20e-87 . . . . 15952 1 5 no BMRB 4166 . "C2A domain of synaptotagmin I" . . . . . 100.00 128 99.22 100.00 3.86e-87 . . . . 15952 1 6 no BMRB 4167 . "C2A domain of synaptotagmin I" . . . . . 100.00 128 99.22 100.00 3.86e-87 . . . . 15952 1 7 no PDB 1BYN . "Solution Structure Of The Calcium-Bound First C2-Domain Of Synaptotagmin I" . . . . . 100.00 128 100.00 100.00 1.20e-87 . . . . 15952 1 8 no PDB 1RSY . "Structure Of The First C2-domain Of Synaptotagmin I: A Novel Ca2+(slash)phospholipid Binding Fold" . . . . . 99.22 152 100.00 100.00 8.04e-87 . . . . 15952 1 9 no PDB 2K45 . "C2a Domain Of Synaptototagmin I Solution Structure In The Fgf-1-C2a Binary Complex: Key Component In The Fibroblast Growthfacto" . . . . . 100.00 128 100.00 100.00 1.20e-87 . . . . 15952 1 10 no PDB 2K4A . "Fgf-1-C2a Binary Complex Structure: A Key Component In The Fibroblast Growthfactor Non-Classical Pathway" . . . . . 100.00 128 100.00 100.00 1.20e-87 . . . . 15952 1 11 no PDB 2K8M . "S100a13-C2a Binary Complex Structure" . . . . . 100.00 128 100.00 100.00 1.20e-87 . . . . 15952 1 12 no PDB 2KI6 . "The Fgf1-S100a13-C2a Hetero-Hexameric Complex Structure: A C In The Non-Classical Pathway For Fgf1 Secretion" . . . . . 100.00 128 100.00 100.00 1.20e-87 . . . . 15952 1 13 no PDB 3F00 . "Crystal Structure Of Synaptotagmin I C2a Domain With Cu(Ii)" . . . . . 98.44 143 100.00 100.00 5.60e-86 . . . . 15952 1 14 no PDB 3F01 . "Crystal Structure Of Synaptotagmin I C2a Domain With Cu(Ii)" . . . . . 98.44 143 100.00 100.00 4.92e-86 . . . . 15952 1 15 no PDB 3F04 . "Crystal Structure Of Synaptotagmin I C2a Domain" . . . . . 98.44 143 100.00 100.00 4.92e-86 . . . . 15952 1 16 no PDB 3F05 . "Crystal Structure Of Synaptotagmin I C2a Domain With Mn(Ii)" . . . . . 98.44 143 100.00 100.00 4.92e-86 . . . . 15952 1 17 no GB AAK15077 . "synaptotagmin I variant b [Bos taurus]" . . . . . 100.00 279 100.00 100.00 7.86e-87 . . . . 15952 1 18 no GB ELW70522 . "Synaptotagmin-1 [Tupaia chinensis]" . . . . . 100.00 395 100.00 100.00 3.05e-85 . . . . 15952 1 19 no GB EPY85163 . "synaptotagmin-1 [Camelus ferus]" . . . . . 100.00 277 100.00 100.00 8.78e-87 . . . . 15952 1 20 no GB KFO26677 . "Synaptotagmin-1 [Fukomys damarensis]" . . . . . 100.00 338 100.00 100.00 3.59e-86 . . . . 15952 1 21 no GB KFP32561 . "Synaptotagmin-1, partial [Colius striatus]" . . . . . 58.59 217 97.33 100.00 2.70e-43 . . . . 15952 1 22 no REF XP_005976391 . "PREDICTED: synaptotagmin-1-like [Pantholops hodgsonii]" . . . . . 100.00 279 100.00 100.00 6.25e-87 . . . . 15952 1 23 no REF XP_010164835 . "PREDICTED: synaptotagmin-1-like, partial [Caprimulgus carolinensis]" . . . . . 57.81 179 97.30 100.00 6.22e-43 . . . . 15952 1 24 no REF XP_010202276 . "PREDICTED: synaptotagmin-1, partial [Colius striatus]" . . . . . 57.81 216 97.30 100.00 1.33e-42 . . . . 15952 1 25 no REF XP_010211789 . "PREDICTED: synaptotagmin-1-like, partial [Tinamus guttatus]" . . . . . 85.94 249 97.27 99.09 5.56e-71 . . . . 15952 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'protein transport' 15952 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 . GLU . 15952 1 2 . LYS . 15952 1 3 . LEU . 15952 1 4 . GLY . 15952 1 5 . LYS . 15952 1 6 . LEU . 15952 1 7 . GLN . 15952 1 8 . TYR . 15952 1 9 . SER . 15952 1 10 . LEU . 15952 1 11 . ASP . 15952 1 12 . TYR . 15952 1 13 . ASP . 15952 1 14 . PHE . 15952 1 15 . GLN . 15952 1 16 . ASN . 15952 1 17 . ASN . 15952 1 18 . GLN . 15952 1 19 . LEU . 15952 1 20 . LEU . 15952 1 21 . VAL . 15952 1 22 . GLY . 15952 1 23 . ILE . 15952 1 24 . ILE . 15952 1 25 . GLN . 15952 1 26 . ALA . 15952 1 27 . ALA . 15952 1 28 . GLU . 15952 1 29 . LEU . 15952 1 30 . PRO . 15952 1 31 . ALA . 15952 1 32 . LEU . 15952 1 33 . ASP . 15952 1 34 . MET . 15952 1 35 . GLY . 15952 1 36 . GLY . 15952 1 37 . THR . 15952 1 38 . SER . 15952 1 39 . ASP . 15952 1 40 . PRO . 15952 1 41 . TYR . 15952 1 42 . VAL . 15952 1 43 . LYS . 15952 1 44 . VAL . 15952 1 45 . PHE . 15952 1 46 . LEU . 15952 1 47 . LEU . 15952 1 48 . PRO . 15952 1 49 . ASP . 15952 1 50 . LYS . 15952 1 51 . LYS . 15952 1 52 . LYS . 15952 1 53 . LYS . 15952 1 54 . PHE . 15952 1 55 . GLU . 15952 1 56 . THR . 15952 1 57 . LYS . 15952 1 58 . VAL . 15952 1 59 . HIS . 15952 1 60 . ARG . 15952 1 61 . LYS . 15952 1 62 . THR . 15952 1 63 . LEU . 15952 1 64 . ASN . 15952 1 65 . PRO . 15952 1 66 . VAL . 15952 1 67 . PHE . 15952 1 68 . ASN . 15952 1 69 . GLU . 15952 1 70 . GLN . 15952 1 71 . PHE . 15952 1 72 . THR . 15952 1 73 . PHE . 15952 1 74 . LYS . 15952 1 75 . VAL . 15952 1 76 . PRO . 15952 1 77 . TYR . 15952 1 78 . SER . 15952 1 79 . GLU . 15952 1 80 . LEU . 15952 1 81 . GLY . 15952 1 82 . GLY . 15952 1 83 . LYS . 15952 1 84 . THR . 15952 1 85 . LEU . 15952 1 86 . VAL . 15952 1 87 . MET . 15952 1 88 . ALA . 15952 1 89 . VAL . 15952 1 90 . TYR . 15952 1 91 . ASP . 15952 1 92 . PHE . 15952 1 93 . ASP . 15952 1 94 . ARG . 15952 1 95 . PHE . 15952 1 96 . SER . 15952 1 97 . LYS . 15952 1 98 . HIS . 15952 1 99 . ASP . 15952 1 100 . ILE . 15952 1 101 . ILE . 15952 1 102 . GLY . 15952 1 103 . GLU . 15952 1 104 . PHE . 15952 1 105 . LYS . 15952 1 106 . VAL . 15952 1 107 . PRO . 15952 1 108 . MET . 15952 1 109 . ASN . 15952 1 110 . THR . 15952 1 111 . VAL . 15952 1 112 . ASP . 15952 1 113 . PHE . 15952 1 114 . GLY . 15952 1 115 . HIS . 15952 1 116 . VAL . 15952 1 117 . THR . 15952 1 118 . GLU . 15952 1 119 . GLU . 15952 1 120 . TRP . 15952 1 121 . ARG . 15952 1 122 . ASP . 15952 1 123 . LEU . 15952 1 124 . GLN . 15952 1 125 . SER . 15952 1 126 . ALA . 15952 1 127 . GLU . 15952 1 128 . LYS . 15952 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 . GLU 1 1 15952 1 . LYS 2 2 15952 1 . LEU 3 3 15952 1 . GLY 4 4 15952 1 . LYS 5 5 15952 1 . LEU 6 6 15952 1 . GLN 7 7 15952 1 . TYR 8 8 15952 1 . SER 9 9 15952 1 . LEU 10 10 15952 1 . ASP 11 11 15952 1 . TYR 12 12 15952 1 . ASP 13 13 15952 1 . PHE 14 14 15952 1 . GLN 15 15 15952 1 . ASN 16 16 15952 1 . ASN 17 17 15952 1 . GLN 18 18 15952 1 . LEU 19 19 15952 1 . LEU 20 20 15952 1 . VAL 21 21 15952 1 . GLY 22 22 15952 1 . ILE 23 23 15952 1 . ILE 24 24 15952 1 . GLN 25 25 15952 1 . ALA 26 26 15952 1 . ALA 27 27 15952 1 . GLU 28 28 15952 1 . LEU 29 29 15952 1 . PRO 30 30 15952 1 . ALA 31 31 15952 1 . LEU 32 32 15952 1 . ASP 33 33 15952 1 . MET 34 34 15952 1 . GLY 35 35 15952 1 . GLY 36 36 15952 1 . THR 37 37 15952 1 . SER 38 38 15952 1 . ASP 39 39 15952 1 . PRO 40 40 15952 1 . TYR 41 41 15952 1 . VAL 42 42 15952 1 . LYS 43 43 15952 1 . VAL 44 44 15952 1 . PHE 45 45 15952 1 . LEU 46 46 15952 1 . LEU 47 47 15952 1 . PRO 48 48 15952 1 . ASP 49 49 15952 1 . LYS 50 50 15952 1 . LYS 51 51 15952 1 . LYS 52 52 15952 1 . LYS 53 53 15952 1 . PHE 54 54 15952 1 . GLU 55 55 15952 1 . THR 56 56 15952 1 . LYS 57 57 15952 1 . VAL 58 58 15952 1 . HIS 59 59 15952 1 . ARG 60 60 15952 1 . LYS 61 61 15952 1 . THR 62 62 15952 1 . LEU 63 63 15952 1 . ASN 64 64 15952 1 . PRO 65 65 15952 1 . VAL 66 66 15952 1 . PHE 67 67 15952 1 . ASN 68 68 15952 1 . GLU 69 69 15952 1 . GLN 70 70 15952 1 . PHE 71 71 15952 1 . THR 72 72 15952 1 . PHE 73 73 15952 1 . LYS 74 74 15952 1 . VAL 75 75 15952 1 . PRO 76 76 15952 1 . TYR 77 77 15952 1 . SER 78 78 15952 1 . GLU 79 79 15952 1 . LEU 80 80 15952 1 . GLY 81 81 15952 1 . GLY 82 82 15952 1 . LYS 83 83 15952 1 . THR 84 84 15952 1 . LEU 85 85 15952 1 . VAL 86 86 15952 1 . MET 87 87 15952 1 . ALA 88 88 15952 1 . VAL 89 89 15952 1 . TYR 90 90 15952 1 . ASP 91 91 15952 1 . PHE 92 92 15952 1 . ASP 93 93 15952 1 . ARG 94 94 15952 1 . PHE 95 95 15952 1 . SER 96 96 15952 1 . LYS 97 97 15952 1 . HIS 98 98 15952 1 . ASP 99 99 15952 1 . ILE 100 100 15952 1 . ILE 101 101 15952 1 . GLY 102 102 15952 1 . GLU 103 103 15952 1 . PHE 104 104 15952 1 . LYS 105 105 15952 1 . VAL 106 106 15952 1 . PRO 107 107 15952 1 . MET 108 108 15952 1 . ASN 109 109 15952 1 . THR 110 110 15952 1 . VAL 111 111 15952 1 . ASP 112 112 15952 1 . PHE 113 113 15952 1 . GLY 114 114 15952 1 . HIS 115 115 15952 1 . VAL 116 116 15952 1 . THR 117 117 15952 1 . GLU 118 118 15952 1 . GLU 119 119 15952 1 . TRP 120 120 15952 1 . ARG 121 121 15952 1 . ASP 122 122 15952 1 . LEU 123 123 15952 1 . GLN 124 124 15952 1 . SER 125 125 15952 1 . ALA 126 126 15952 1 . GLU 127 127 15952 1 . LYS 128 128 15952 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 15952 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name S100A13 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B,C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAAEPLTELEESIETVVTTF FTFARQEGRKDSLSVNEFKE LVTQQLPHLLKDVGSLDEKM KSLDVNQDSELKFNEYWRLI GELAKEIRKKKDLKIRKK ; _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 98 _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 11490.304 _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 BMRB 6531 . A13 . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 2 no BMRB 6532 . A13 . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 3 no PDB 1YUR . "Solution Structure Of Apo-S100a13 (Minimized Mean Structure)" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 4 no PDB 1YUS . "Solution Structure Of Apo-S100a13" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 5 no PDB 1YUT . "Solution Structure Of Calcium-s100a13 (minimized Mean Structure)" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 6 no PDB 1YUU . "Solution Structure Of Calcium-s100a13" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 7 no PDB 2EGD . "Crystal Structure Of Human S100a13 In The Ca2+-Bound State" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 8 no PDB 2H2K . "Crystal Structure Analysis Of Human S100a13" . . . . . 100.00 106 100.00 100.00 1.88e-62 . . . . 15952 2 9 no PDB 2K8M . "S100a13-C2a Binary Complex Structure" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 10 no PDB 2KI4 . "Fgf1-S100a13 Complex Structure: Key Component In Non-Classic Way Of Fgf1" . . . . . 97.96 98 100.00 100.00 7.08e-61 . . . . 15952 2 11 no PDB 2KI6 . "The Fgf1-S100a13-C2a Hetero-Hexameric Complex Structure: A C In The Non-Classical Pathway For Fgf1 Secretion" . . . . . 97.96 98 100.00 100.00 7.08e-61 . . . . 15952 2 12 no PDB 2KOT . "Solution Structure Of S100a13 With A Drug Amlexanox" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 13 no PDB 2L5X . "Solution Structure Of Il1a-S100a13 Complex" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 14 no PDB 2LE9 . "Ragec2-S100a13 Tetrameric Complex" . . . . . 98.98 97 100.00 100.00 3.46e-61 . . . . 15952 2 15 no DBJ BAG74209 . "S100 calcium binding protein A13 [synthetic construct]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 16 no EMBL CAA68188 . "S100 calcium-binding protein A13 (S100A13) [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 17 no EMBL CAG46946 . "S100A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 18 no GB AAH00632 . "S100 calcium binding protein A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 19 no GB AAH68064 . "S100 calcium binding protein A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 20 no GB AAH70291 . "S100 calcium binding protein A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 21 no GB AAP35370 . "S100 calcium binding protein A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 22 no GB AAP36320 . "Homo sapiens S100 calcium binding protein A13 [synthetic construct]" . . . . . 100.00 99 100.00 100.00 4.11e-62 . . . . 15952 2 23 no REF NP_001019381 . "protein S100-A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 24 no REF NP_001019382 . "protein S100-A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 25 no REF NP_001019383 . "protein S100-A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 26 no REF NP_001019384 . "protein S100-A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 27 no REF NP_005970 . "protein S100-A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 28 no SP Q99584 . "RecName: Full=Protein S100-A13; AltName: Full=S100 calcium-binding protein A13 [Homo sapiens]" . . . . . 100.00 98 100.00 100.00 4.44e-62 . . . . 15952 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'protein transport' 15952 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 . MET . 15952 2 2 . ALA . 15952 2 3 . ALA . 15952 2 4 . GLU . 15952 2 5 . PRO . 15952 2 6 . LEU . 15952 2 7 . THR . 15952 2 8 . GLU . 15952 2 9 . LEU . 15952 2 10 . GLU . 15952 2 11 . GLU . 15952 2 12 . SER . 15952 2 13 . ILE . 15952 2 14 . GLU . 15952 2 15 . THR . 15952 2 16 . VAL . 15952 2 17 . VAL . 15952 2 18 . THR . 15952 2 19 . THR . 15952 2 20 . PHE . 15952 2 21 . PHE . 15952 2 22 . THR . 15952 2 23 . PHE . 15952 2 24 . ALA . 15952 2 25 . ARG . 15952 2 26 . GLN . 15952 2 27 . GLU . 15952 2 28 . GLY . 15952 2 29 . ARG . 15952 2 30 . LYS . 15952 2 31 . ASP . 15952 2 32 . SER . 15952 2 33 . LEU . 15952 2 34 . SER . 15952 2 35 . VAL . 15952 2 36 . ASN . 15952 2 37 . GLU . 15952 2 38 . PHE . 15952 2 39 . LYS . 15952 2 40 . GLU . 15952 2 41 . LEU . 15952 2 42 . VAL . 15952 2 43 . THR . 15952 2 44 . GLN . 15952 2 45 . GLN . 15952 2 46 . LEU . 15952 2 47 . PRO . 15952 2 48 . HIS . 15952 2 49 . LEU . 15952 2 50 . LEU . 15952 2 51 . LYS . 15952 2 52 . ASP . 15952 2 53 . VAL . 15952 2 54 . GLY . 15952 2 55 . SER . 15952 2 56 . LEU . 15952 2 57 . ASP . 15952 2 58 . GLU . 15952 2 59 . LYS . 15952 2 60 . MET . 15952 2 61 . LYS . 15952 2 62 . SER . 15952 2 63 . LEU . 15952 2 64 . ASP . 15952 2 65 . VAL . 15952 2 66 . ASN . 15952 2 67 . GLN . 15952 2 68 . ASP . 15952 2 69 . SER . 15952 2 70 . GLU . 15952 2 71 . LEU . 15952 2 72 . LYS . 15952 2 73 . PHE . 15952 2 74 . ASN . 15952 2 75 . GLU . 15952 2 76 . TYR . 15952 2 77 . TRP . 15952 2 78 . ARG . 15952 2 79 . LEU . 15952 2 80 . ILE . 15952 2 81 . GLY . 15952 2 82 . GLU . 15952 2 83 . LEU . 15952 2 84 . ALA . 15952 2 85 . LYS . 15952 2 86 . GLU . 15952 2 87 . ILE . 15952 2 88 . ARG . 15952 2 89 . LYS . 15952 2 90 . LYS . 15952 2 91 . LYS . 15952 2 92 . ASP . 15952 2 93 . LEU . 15952 2 94 . LYS . 15952 2 95 . ILE . 15952 2 96 . ARG . 15952 2 97 . LYS . 15952 2 98 . LYS . 15952 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 15952 2 . ALA 2 2 15952 2 . ALA 3 3 15952 2 . GLU 4 4 15952 2 . PRO 5 5 15952 2 . LEU 6 6 15952 2 . THR 7 7 15952 2 . GLU 8 8 15952 2 . LEU 9 9 15952 2 . GLU 10 10 15952 2 . GLU 11 11 15952 2 . SER 12 12 15952 2 . ILE 13 13 15952 2 . GLU 14 14 15952 2 . THR 15 15 15952 2 . VAL 16 16 15952 2 . VAL 17 17 15952 2 . THR 18 18 15952 2 . THR 19 19 15952 2 . PHE 20 20 15952 2 . PHE 21 21 15952 2 . THR 22 22 15952 2 . PHE 23 23 15952 2 . ALA 24 24 15952 2 . ARG 25 25 15952 2 . GLN 26 26 15952 2 . GLU 27 27 15952 2 . GLY 28 28 15952 2 . ARG 29 29 15952 2 . LYS 30 30 15952 2 . ASP 31 31 15952 2 . SER 32 32 15952 2 . LEU 33 33 15952 2 . SER 34 34 15952 2 . VAL 35 35 15952 2 . ASN 36 36 15952 2 . GLU 37 37 15952 2 . PHE 38 38 15952 2 . LYS 39 39 15952 2 . GLU 40 40 15952 2 . LEU 41 41 15952 2 . VAL 42 42 15952 2 . THR 43 43 15952 2 . GLN 44 44 15952 2 . GLN 45 45 15952 2 . LEU 46 46 15952 2 . PRO 47 47 15952 2 . HIS 48 48 15952 2 . LEU 49 49 15952 2 . LEU 50 50 15952 2 . LYS 51 51 15952 2 . ASP 52 52 15952 2 . VAL 53 53 15952 2 . GLY 54 54 15952 2 . SER 55 55 15952 2 . LEU 56 56 15952 2 . ASP 57 57 15952 2 . GLU 58 58 15952 2 . LYS 59 59 15952 2 . MET 60 60 15952 2 . LYS 61 61 15952 2 . SER 62 62 15952 2 . LEU 63 63 15952 2 . ASP 64 64 15952 2 . VAL 65 65 15952 2 . ASN 66 66 15952 2 . GLN 67 67 15952 2 . ASP 68 68 15952 2 . SER 69 69 15952 2 . GLU 70 70 15952 2 . LEU 71 71 15952 2 . LYS 72 72 15952 2 . PHE 73 73 15952 2 . ASN 74 74 15952 2 . GLU 75 75 15952 2 . TYR 76 76 15952 2 . TRP 77 77 15952 2 . ARG 78 78 15952 2 . LEU 79 79 15952 2 . ILE 80 80 15952 2 . GLY 81 81 15952 2 . GLU 82 82 15952 2 . LEU 83 83 15952 2 . ALA 84 84 15952 2 . LYS 85 85 15952 2 . GLU 86 86 15952 2 . ILE 87 87 15952 2 . ARG 88 88 15952 2 . LYS 89 89 15952 2 . LYS 90 90 15952 2 . LYS 91 91 15952 2 . ASP 92 92 15952 2 . LEU 93 93 15952 2 . LYS 94 94 15952 2 . ILE 95 95 15952 2 . ARG 96 96 15952 2 . LYS 97 97 15952 2 . LYS 98 98 15952 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 15952 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15952 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15952 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 15952 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX . . . . . . 15952 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX . . . . . . 15952 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15952 _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 entity_1_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 1.4 . . mM . . . . 15952 1 2 entity_2_1 '[U-13C; U-15N]' . . 2 $entity_2 . . 1.4 . . mM . . . . 15952 1 3 'sodium phosphate' . . . . . . . 25 . . mM . . . . 15952 1 4 'sodium chloride' . . . . . . . 100 . . mM . . . . 15952 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15952 _Sample_condition_list.ID 1 _Sample_condition_list.Details '25mM PBS 100mM NaCl 2mM CaCl2 Conc 1.4 mM' 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' 0.1 . M 15952 1 pH 5.7 . pH 15952 1 pressure 1 . atm 15952 1 temperature 298 . K 15952 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15952 _Software.ID 1 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15952 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15952 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 15952 _Software.ID 2 _Software.Name ARIA _Software.Version '1.2 &2.2' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 15952 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15952 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15952 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15952 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15952 3 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 15952 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15952 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15952 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 15952 1 2 spectrometer_2 Bruker Avance . 600 . . . 15952 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 15952 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15952 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15952 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15952 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15952 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15952 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15952 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15952 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15952 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15952 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15952 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15952 1 12 '3D 13C-filterNOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15952 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 15952 _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 dioxane 'methyl carbons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 15952 1 H 1 TSP 'methylene protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 15952 1 N 15 TSP nitrogen . . . . ppm 0 internal direct 1.0 . . . . . . . . . 15952 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set _Assigned_chem_shift_list.Entry_ID 15952 _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 'Derived from the file: /home/krishna/C2A/run27/data/15N/15N.ppm' _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 10 '3D 1H-15N NOESY' . . . 15952 1 11 '3D 1H-13C NOESY' . . . 15952 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CNS . . 15952 1 2 $ARIA . . 15952 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 1 1 GLU H H 1 8.444 0.01 . . . . . . 1 GLU H . 15952 1 2 . 1 1 1 1 GLU HA H 1 4.252 0.01 . . . . . . 1 GLU HA . 15952 1 3 . 1 1 1 1 GLU HB2 H 1 1.909 0.01 . . . . . . 1 GLU HB2 . 15952 1 4 . 1 1 1 1 GLU HB3 H 1 1.998 0.01 . . . . . . 1 GLU HB3 . 15952 1 5 . 1 1 1 1 GLU HG2 H 1 2.24 0.01 . . . . . . 1 GLU HG2 . 15952 1 6 . 1 1 1 1 GLU HG3 H 1 2.153 0.01 . . . . . . 1 GLU HG3 . 15952 1 7 . 1 1 1 1 GLU C C 13 175.402 0.03 . . . . . . 1 GLU C . 15952 1 8 . 1 1 1 1 GLU CA C 13 55.78 0.03 . . . . . . 1 GLU CA . 15952 1 9 . 1 1 1 1 GLU CB C 13 29.71 0.03 . . . . . . 1 GLU CB . 15952 1 10 . 1 1 1 1 GLU CG C 13 35.83 0.03 . . . . . . 1 GLU CG . 15952 1 11 . 1 1 1 1 GLU N N 15 124.7 0.04 . . . . . . 1 GLU N . 15952 1 12 . 1 1 2 2 LYS H H 1 8.32 0.01 . . . . . . 2 LYS H . 15952 1 13 . 1 1 2 2 LYS HA H 1 4.413 0.01 . . . . . . 2 LYS HA . 15952 1 14 . 1 1 2 2 LYS HB2 H 1 1.761 0.01 . . . . . . 2 LYS HB2 . 15952 1 15 . 1 1 2 2 LYS HB3 H 1 1.761 0.01 . . . . . . 2 LYS HB3 . 15952 1 16 . 1 1 2 2 LYS HD2 H 1 1.622 0.01 . . . . . . 2 LYS HD1 . 15952 1 17 . 1 1 2 2 LYS HD3 H 1 1.622 0.01 . . . . . . 2 LYS HD2 . 15952 1 18 . 1 1 2 2 LYS HE2 H 1 2.932 0.01 . . . . . . 2 LYS HE1 . 15952 1 19 . 1 1 2 2 LYS HE3 H 1 2.932 0.01 . . . . . . 2 LYS HE2 . 15952 1 20 . 1 1 2 2 LYS HG2 H 1 1.357 0.01 . . . . . . 2 LYS HG2 . 15952 1 21 . 1 1 2 2 LYS HG3 H 1 1.44 0.01 . . . . . . 2 LYS HG3 . 15952 1 22 . 1 1 2 2 LYS C C 13 176.041 0.03 . . . . . . 2 LYS C . 15952 1 23 . 1 1 2 2 LYS CA C 13 55.55 0.03 . . . . . . 2 LYS CA . 15952 1 24 . 1 1 2 2 LYS CB C 13 31.73 0.03 . . . . . . 2 LYS CB . 15952 1 25 . 1 1 2 2 LYS CD C 13 28.62 0.03 . . . . . . 2 LYS CD . 15952 1 26 . 1 1 2 2 LYS CE C 13 42.38 0.03 . . . . . . 2 LYS CE . 15952 1 27 . 1 1 2 2 LYS CG C 13 24.57 0.03 . . . . . . 2 LYS CG . 15952 1 28 . 1 1 2 2 LYS N N 15 123.2 0.04 . . . . . . 2 LYS N . 15952 1 29 . 1 1 3 3 LEU H H 1 8.319 0.01 . . . . . . 3 LEU H . 15952 1 30 . 1 1 3 3 LEU HA H 1 4.363 0.01 . . . . . . 3 LEU HA . 15952 1 31 . 1 1 3 3 LEU HB2 H 1 1.506 0.01 . . . . . . 3 LEU HB2 . 15952 1 32 . 1 1 3 3 LEU HB3 H 1 1.506 0.01 . . . . . . 3 LEU HB3 . 15952 1 33 . 1 1 3 3 LEU HD11 H 1 0.75384 0.01 . . . . . . 3 LEU HD1 . 15952 1 34 . 1 1 3 3 LEU HD12 H 1 0.75384 0.01 . . . . . . 3 LEU HD1 . 15952 1 35 . 1 1 3 3 LEU HD13 H 1 0.75384 0.01 . . . . . . 3 LEU HD1 . 15952 1 36 . 1 1 3 3 LEU HD21 H 1 0.7534 0.01 . . . . . . 3 LEU HD2 . 15952 1 37 . 1 1 3 3 LEU HD22 H 1 0.7534 0.01 . . . . . . 3 LEU HD2 . 15952 1 38 . 1 1 3 3 LEU HD23 H 1 0.7534 0.01 . . . . . . 3 LEU HD2 . 15952 1 39 . 1 1 3 3 LEU HG H 1 1.429 0.01 . . . . . . 3 LEU HG . 15952 1 40 . 1 1 3 3 LEU C C 13 173.289 0.03 . . . . . . 3 LEU C . 15952 1 41 . 1 1 3 3 LEU CA C 13 53.8 0.03 . . . . . . 3 LEU CA . 15952 1 42 . 1 1 3 3 LEU CB C 13 43.351 0.03 . . . . . . 3 LEU CB . 15952 1 43 . 1 1 3 3 LEU CD1 C 13 24.28 0.03 . . . . . . 3 LEU CD1 . 15952 1 44 . 1 1 3 3 LEU CD2 C 13 21.24 0.03 . . . . . . 3 LEU CD2 . 15952 1 45 . 1 1 3 3 LEU CG C 13 26.31 0.03 . . . . . . 3 LEU CG . 15952 1 46 . 1 1 3 3 LEU N N 15 124.7 0.04 . . . . . . 3 LEU N . 15952 1 47 . 1 1 4 4 GLY H H 1 7.412 0.01 . . . . . . 4 GLY NH . 15952 1 48 . 1 1 4 4 GLY HA2 H 1 3.662 0.01 . . . . . . 4 GLY HA1 . 15952 1 49 . 1 1 4 4 GLY HA3 H 1 4.367 0.01 . . . . . . 4 GLY HA2 . 15952 1 50 . 1 1 4 4 GLY C C 13 174.476 0.03 . . . . . . 4 GLY C . 15952 1 51 . 1 1 4 4 GLY CA C 13 44.232 0.03 . . . . . . 4 GLY CA . 15952 1 52 . 1 1 4 4 GLY N N 15 102.1 0.04 . . . . . . 4 GLY N . 15952 1 53 . 1 1 5 5 LYS H H 1 8.748 0.01 . . . . . . 5 LYS H . 15952 1 54 . 1 1 5 5 LYS HA H 1 5.333 0.01 . . . . . . 5 LYS HA . 15952 1 55 . 1 1 5 5 LYS HB2 H 1 1.544 0.01 . . . . . . 5 LYS HB2 . 15952 1 56 . 1 1 5 5 LYS HB3 H 1 2.093 0.01 . . . . . . 5 LYS HB3 . 15952 1 57 . 1 1 5 5 LYS HD2 H 1 1.17 0.01 . . . . . . 5 LYS HD1 . 15952 1 58 . 1 1 5 5 LYS HD3 H 1 1.2844 0.01 . . . . . . 5 LYS HD2 . 15952 1 59 . 1 1 5 5 LYS HE3 H 1 2.014 0.01 . . . . . . 5 LYS HE2 . 15952 1 60 . 1 1 5 5 LYS HG2 H 1 1.31 0.01 . . . . . . 5 LYS HG2 . 15952 1 61 . 1 1 5 5 LYS HG3 H 1 1.375 0.01 . . . . . . 5 LYS HG3 . 15952 1 62 . 1 1 5 5 LYS C C 13 173.762 0.03 . . . . . . 5 LYS C . 15952 1 63 . 1 1 5 5 LYS CA C 13 54.807 0.03 . . . . . . 5 LYS CA . 15952 1 64 . 1 1 5 5 LYS CB C 13 36.664 0.03 . . . . . . 5 LYS CB . 15952 1 65 . 1 1 5 5 LYS CD C 13 29.3 0.03 . . . . . . 5 LYS CD . 15952 1 66 . 1 1 5 5 LYS CE C 13 40.97 0.03 . . . . . . 5 LYS CE . 15952 1 67 . 1 1 5 5 LYS CG C 13 23.52 0.03 . . . . . . 5 LYS CG . 15952 1 68 . 1 1 5 5 LYS N N 15 114.993 0.04 . . . . . . 5 LYS N . 15952 1 69 . 1 1 6 6 LEU H H 1 9.058 0.01 . . . . . . 6 LEU H . 15952 1 70 . 1 1 6 6 LEU HA H 1 5.312 0.01 . . . . . . 6 LEU HA . 15952 1 71 . 1 1 6 6 LEU HB2 H 1 1.371 0.01 . . . . . . 6 LEU HB2 . 15952 1 72 . 1 1 6 6 LEU HB3 H 1 1.924 0.01 . . . . . . 6 LEU HB3 . 15952 1 73 . 1 1 6 6 LEU HD11 H 1 0.8772 0.01 . . . . . . 6 LEU HD1 . 15952 1 74 . 1 1 6 6 LEU HD12 H 1 0.8772 0.01 . . . . . . 6 LEU HD1 . 15952 1 75 . 1 1 6 6 LEU HD13 H 1 0.8772 0.01 . . . . . . 6 LEU HD1 . 15952 1 76 . 1 1 6 6 LEU HD21 H 1 0.8772 0.01 . . . . . . 6 LEU HD2 . 15952 1 77 . 1 1 6 6 LEU HD22 H 1 0.8772 0.01 . . . . . . 6 LEU HD2 . 15952 1 78 . 1 1 6 6 LEU HD23 H 1 0.8772 0.01 . . . . . . 6 LEU HD2 . 15952 1 79 . 1 1 6 6 LEU HG H 1 1.73 0.01 . . . . . . 6 LEU HG . 15952 1 80 . 1 1 6 6 LEU C C 13 172.524 0.03 . . . . . . 6 LEU C . 15952 1 81 . 1 1 6 6 LEU CA C 13 53.76 0.03 . . . . . . 6 LEU CA . 15952 1 82 . 1 1 6 6 LEU CB C 13 47.948 0.03 . . . . . . 6 LEU CB . 15952 1 83 . 1 1 6 6 LEU CD1 C 13 24.72 0.03 . . . . . . 6 LEU CD1 . 15952 1 84 . 1 1 6 6 LEU CD2 C 13 26.42 0.03 . . . . . . 6 LEU CD2 . 15952 1 85 . 1 1 6 6 LEU CG C 13 27.07 0.03 . . . . . . 6 LEU CG . 15952 1 86 . 1 1 6 6 LEU N N 15 122.195 0.04 . . . . . . 6 LEU N . 15952 1 87 . 1 1 7 7 GLN H H 1 8.945 0.01 . . . . . . 7 GLN H . 15952 1 88 . 1 1 7 7 GLN HA H 1 5.17 0.01 . . . . . . 7 GLN HA . 15952 1 89 . 1 1 7 7 GLN HB2 H 1 1.24 0.01 . . . . . . 7 GLN HB2 . 15952 1 90 . 1 1 7 7 GLN HB3 H 1 1.239 0.01 . . . . . . 7 GLN HB3 . 15952 1 91 . 1 1 7 7 GLN HE21 H 1 6.385 0.01 . . . . . . 7 GLN HE21 . 15952 1 92 . 1 1 7 7 GLN HE22 H 1 6.192 0.01 . . . . . . 7 GLN HE22 . 15952 1 93 . 1 1 7 7 GLN HG2 H 1 2.36 0.01 . . . . . . 7 GLN HG2 . 15952 1 94 . 1 1 7 7 GLN HG3 H 1 1.293 0.01 . . . . . . 7 GLN HG3 . 15952 1 95 . 1 1 7 7 GLN C C 13 173.707 0.03 . . . . . . 7 GLN C . 15952 1 96 . 1 1 7 7 GLN CA C 13 52.595 0.03 . . . . . . 7 GLN CA . 15952 1 97 . 1 1 7 7 GLN CB C 13 28.032 0.03 . . . . . . 7 GLN CB . 15952 1 98 . 1 1 7 7 GLN CG C 13 32.28 0.03 . . . . . . 7 GLN CG . 15952 1 99 . 1 1 7 7 GLN N N 15 127.8 0.04 . . . . . . 7 GLN N . 15952 1 100 . 1 1 7 7 GLN NE2 N 15 109.1 0.04 . . . . . . 7 GLN NE2 . 15952 1 101 . 1 1 8 8 TYR H H 1 8.445 0.01 . . . . . . 8 TYR H . 15952 1 102 . 1 1 8 8 TYR HA H 1 5.401 0.01 . . . . . . 8 TYR HA . 15952 1 103 . 1 1 8 8 TYR HB2 H 1 2.703 0.01 . . . . . . 8 TYR HB2 . 15952 1 104 . 1 1 8 8 TYR HB3 H 1 3.296 0.01 . . . . . . 8 TYR HB3 . 15952 1 105 . 1 1 8 8 TYR C C 13 171.582 0.03 . . . . . . 8 TYR C . 15952 1 106 . 1 1 8 8 TYR CA C 13 54.578 0.03 . . . . . . 8 TYR CA . 15952 1 107 . 1 1 8 8 TYR CB C 13 42.236 0.03 . . . . . . 8 TYR CB . 15952 1 108 . 1 1 8 8 TYR N N 15 125.7 0.04 . . . . . . 8 TYR N . 15952 1 109 . 1 1 9 9 SER H H 1 9.486 0.01 . . . . . . 9 SER H . 15952 1 110 . 1 1 9 9 SER HA H 1 5.4 0.01 . . . . . . 9 SER HA . 15952 1 111 . 1 1 9 9 SER HB2 H 1 3.534 0.01 . . . . . . 9 SER HB2 . 15952 1 112 . 1 1 9 9 SER HB3 H 1 3.792 0.01 . . . . . . 9 SER HB3 . 15952 1 113 . 1 1 9 9 SER C C 13 173.486 0.03 . . . . . . 9 SER C . 15952 1 114 . 1 1 9 9 SER CA C 13 55.195 0.03 . . . . . . 9 SER CA . 15952 1 115 . 1 1 9 9 SER CB C 13 67.116 0.03 . . . . . . 9 SER CB . 15952 1 116 . 1 1 9 9 SER N N 15 113.3 0.04 . . . . . . 9 SER N . 15952 1 117 . 1 1 10 10 LEU H H 1 8.698 0.01 . . . . . . 10 LEU H . 15952 1 118 . 1 1 10 10 LEU HA H 1 5.471 0.01 . . . . . . 10 LEU HA . 15952 1 119 . 1 1 10 10 LEU HB2 H 1 1.516 0.01 . . . . . . 10 LEU HB2 . 15952 1 120 . 1 1 10 10 LEU HB3 H 1 1.813 0.01 . . . . . . 10 LEU HB3 . 15952 1 121 . 1 1 10 10 LEU HD11 H 1 1.099 0.01 . . . . . . 10 LEU HD1 . 15952 1 122 . 1 1 10 10 LEU HD12 H 1 1.099 0.01 . . . . . . 10 LEU HD1 . 15952 1 123 . 1 1 10 10 LEU HD13 H 1 1.099 0.01 . . . . . . 10 LEU HD1 . 15952 1 124 . 1 1 10 10 LEU HD21 H 1 0.9949 0.01 . . . . . . 10 LEU HD2 . 15952 1 125 . 1 1 10 10 LEU HD22 H 1 0.9949 0.01 . . . . . . 10 LEU HD2 . 15952 1 126 . 1 1 10 10 LEU HD23 H 1 0.9949 0.01 . . . . . . 10 LEU HD2 . 15952 1 127 . 1 1 10 10 LEU HG H 1 1.85 0.01 . . . . . . 10 LEU HG . 15952 1 128 . 1 1 10 10 LEU C C 13 174.64 0.03 . . . . . . 10 LEU C . 15952 1 129 . 1 1 10 10 LEU CA C 13 53.388 0.03 . . . . . . 10 LEU CA . 15952 1 130 . 1 1 10 10 LEU CB C 13 46.946 0.03 . . . . . . 10 LEU CB . 15952 1 131 . 1 1 10 10 LEU CD1 C 13 25.62 0.03 . . . . . . 10 LEU CD1 . 15952 1 132 . 1 1 10 10 LEU CD2 C 13 27.5 0.03 . . . . . . 10 LEU CD2 . 15952 1 133 . 1 1 10 10 LEU CG C 13 26.71 0.03 . . . . . . 10 LEU CG . 15952 1 134 . 1 1 10 10 LEU N N 15 120.7 0.04 . . . . . . 10 LEU N . 15952 1 135 . 1 1 11 11 ASP H H 1 8.673 0.01 . . . . . . 11 ASP H . 15952 1 136 . 1 1 11 11 ASP HA H 1 5.126 0.01 . . . . . . 11 ASP HA . 15952 1 137 . 1 1 11 11 ASP HB2 H 1 2.492 0.01 . . . . . . 11 ASP HB2 . 15952 1 138 . 1 1 11 11 ASP HB3 H 1 2.739 0.01 . . . . . . 11 ASP HB3 . 15952 1 139 . 1 1 11 11 ASP C C 13 173.093 0.03 . . . . . . 11 ASP C . 15952 1 140 . 1 1 11 11 ASP CA C 13 52.525 0.03 . . . . . . 11 ASP CA . 15952 1 141 . 1 1 11 11 ASP CB C 13 44.683 0.03 . . . . . . 11 ASP CB . 15952 1 142 . 1 1 11 11 ASP N N 15 119.76 0.04 . . . . . . 11 ASP N . 15952 1 143 . 1 1 12 12 TYR H H 1 8.898 0.01 . . . . . . 12 TYR H . 15952 1 144 . 1 1 12 12 TYR HA H 1 4.609 0.01 . . . . . . 12 TYR HA . 15952 1 145 . 1 1 12 12 TYR HB2 H 1 1.783 0.01 . . . . . . 12 TYR HB2 . 15952 1 146 . 1 1 12 12 TYR HB3 H 1 2.07 0.01 . . . . . . 12 TYR HB3 . 15952 1 147 . 1 1 12 12 TYR HD1 H 1 5.35 0.01 . . . . . . 12 TYR HD1 . 15952 1 148 . 1 1 12 12 TYR HE1 H 1 7.09 0.01 . . . . . . 12 TYR HE1 . 15952 1 149 . 1 1 12 12 TYR C C 13 171.962 0.03 . . . . . . 12 TYR C . 15952 1 150 . 1 1 12 12 TYR CA C 13 57.883 0.03 . . . . . . 12 TYR CA . 15952 1 151 . 1 1 12 12 TYR CB C 13 40.054 0.03 . . . . . . 12 TYR CB . 15952 1 152 . 1 1 12 12 TYR N N 15 124.2 0.04 . . . . . . 12 TYR N . 15952 1 153 . 1 1 13 13 ASP H H 1 8.018 0.01 . . . . . . 13 ASP H . 15952 1 154 . 1 1 13 13 ASP HA H 1 4.591 0.01 . . . . . . 13 ASP HA . 15952 1 155 . 1 1 13 13 ASP HB2 H 1 2.38 0.01 . . . . . . 13 ASP HB2 . 15952 1 156 . 1 1 13 13 ASP HB3 H 1 2.615 0.01 . . . . . . 13 ASP HB3 . 15952 1 157 . 1 1 13 13 ASP C C 13 175.599 0.03 . . . . . . 13 ASP C . 15952 1 158 . 1 1 13 13 ASP CA C 13 51.141 0.03 . . . . . . 13 ASP CA . 15952 1 159 . 1 1 13 13 ASP CB C 13 40.891 0.03 . . . . . . 13 ASP CB . 15952 1 160 . 1 1 13 13 ASP N N 15 126.4 0.04 . . . . . . 13 ASP N . 15952 1 161 . 1 1 14 14 PHE H H 1 8.54 0.01 . . . . . . 14 PHE H . 15952 1 162 . 1 1 14 14 PHE HA H 1 4.187 0.01 . . . . . . 14 PHE HA . 15952 1 163 . 1 1 14 14 PHE HB2 H 1 2.85 0.01 . . . . . . 14 PHE HB1 . 15952 1 164 . 1 1 14 14 PHE HB3 H 1 3.187 0.01 . . . . . . 14 PHE HB2 . 15952 1 165 . 1 1 14 14 PHE C C 13 176.704 0.03 . . . . . . 14 PHE C . 15952 1 166 . 1 1 14 14 PHE CA C 13 60.734 0.03 . . . . . . 14 PHE CA . 15952 1 167 . 1 1 14 14 PHE CB C 13 38.821 0.03 . . . . . . 14 PHE CB . 15952 1 168 . 1 1 14 14 PHE N N 15 123.575 0.04 . . . . . . 14 PHE N . 15952 1 169 . 1 1 15 15 GLN H H 1 8.307 0.01 . . . . . . 15 GLN H . 15952 1 170 . 1 1 15 15 GLN HA H 1 4.15 0.01 . . . . . . 15 GLN HA . 15952 1 171 . 1 1 15 15 GLN HB2 H 1 2.03 0.01 . . . . . . 15 GLN HB2 . 15952 1 172 . 1 1 15 15 GLN HB3 H 1 2.124 0.01 . . . . . . 15 GLN HB3 . 15952 1 173 . 1 1 15 15 GLN HE21 H 1 7.51 0.01 . . . . . . 15 GLN HE21 . 15952 1 174 . 1 1 15 15 GLN HE22 H 1 6.963 0.01 . . . . . . 15 GLN HE22 . 15952 1 175 . 1 1 15 15 GLN HG2 H 1 2.269 0.01 . . . . . . 15 GLN HG2 . 15952 1 176 . 1 1 15 15 GLN HG3 H 1 2.269 0.01 . . . . . . 15 GLN HG3 . 15952 1 177 . 1 1 15 15 GLN C C 13 176.646 0.03 . . . . . . 15 GLN C . 15952 1 178 . 1 1 15 15 GLN CA C 13 57.927 0.03 . . . . . . 15 GLN CA . 15952 1 179 . 1 1 15 15 GLN CB C 13 28.129 0.03 . . . . . . 15 GLN CB . 15952 1 180 . 1 1 15 15 GLN CG C 13 33.65 0.03 . . . . . . 15 GLN CG . 15952 1 181 . 1 1 15 15 GLN N N 15 118.5 0.04 . . . . . . 15 GLN N . 15952 1 182 . 1 1 15 15 GLN NE2 N 15 112.5 0.04 . . . . . . 15 GLN NE2 . 15952 1 183 . 1 1 16 16 ASN H H 1 7.347 0.01 . . . . . . 16 ASN H . 15952 1 184 . 1 1 16 16 ASN HA H 1 4.682 0.01 . . . . . . 16 ASN HA . 15952 1 185 . 1 1 16 16 ASN HB2 H 1 2.105 0.01 . . . . . . 16 ASN HB2 . 15952 1 186 . 1 1 16 16 ASN HB3 H 1 2.484 0.01 . . . . . . 16 ASN HB3 . 15952 1 187 . 1 1 16 16 ASN HD21 H 1 8.599 0.01 . . . . . . 16 ASN HD21 . 15952 1 188 . 1 1 16 16 ASN HD22 H 1 6.885 0.01 . . . . . . 16 ASN HD22 . 15952 1 189 . 1 1 16 16 ASN C C 13 173.191 0.03 . . . . . . 16 ASN C . 15952 1 190 . 1 1 16 16 ASN CA C 13 52.051 0.03 . . . . . . 16 ASN CA . 15952 1 191 . 1 1 16 16 ASN CB C 13 39.238 0.03 . . . . . . 16 ASN CB . 15952 1 192 . 1 1 16 16 ASN N N 15 113.392 0.04 . . . . . . 16 ASN N . 15952 1 193 . 1 1 16 16 ASN ND2 N 15 118.2 0.04 . . . . . . 16 ASN ND2 . 15952 1 194 . 1 1 17 17 ASN H H 1 7.682 0.01 . . . . . . 17 ASN H . 15952 1 195 . 1 1 17 17 ASN HA H 1 4.3 0.01 . . . . . . 17 ASN HA . 15952 1 196 . 1 1 17 17 ASN HB2 H 1 2.568 0.01 . . . . . . 17 ASN HB2 . 15952 1 197 . 1 1 17 17 ASN HB3 H 1 2.509 0.01 . . . . . . 17 ASN HB3 . 15952 1 198 . 1 1 17 17 ASN HD21 H 1 7.296 0.01 . . . . . . 17 ASN HD21 . 15952 1 199 . 1 1 17 17 ASN HD22 H 1 6.928 0.01 . . . . . . 17 ASN HD22 . 15952 1 200 . 1 1 17 17 ASN C C 13 175.797 0.03 . . . . . . 17 ASN C . 15952 1 201 . 1 1 17 17 ASN CA C 13 54.524 0.03 . . . . . . 17 ASN CA . 15952 1 202 . 1 1 17 17 ASN CB C 13 36.825 0.03 . . . . . . 17 ASN CB . 15952 1 203 . 1 1 17 17 ASN N N 15 118.2 0.04 . . . . . . 17 ASN N . 15952 1 204 . 1 1 17 17 ASN ND2 N 15 113.7 0.04 . . . . . . 17 ASN ND2 . 15952 1 205 . 1 1 18 18 GLN H H 1 6.757 0.01 . . . . . . 18 GLN H . 15952 1 206 . 1 1 18 18 GLN HA H 1 4.911 0.01 . . . . . . 18 GLN HA . 15952 1 207 . 1 1 18 18 GLN HB2 H 1 1.358 0.01 . . . . . . 18 GLN HB2 . 15952 1 208 . 1 1 18 18 GLN HB3 H 1 1.728 0.01 . . . . . . 18 GLN HB3 . 15952 1 209 . 1 1 18 18 GLN HE21 H 1 7.163 0.01 . . . . . . 18 GLN HE21 . 15952 1 210 . 1 1 18 18 GLN HE22 H 1 6.718 0.01 . . . . . . 18 GLN HE22 . 15952 1 211 . 1 1 18 18 GLN HG2 H 1 1.731 0.01 . . . . . . 18 GLN HG2 . 15952 1 212 . 1 1 18 18 GLN HG3 H 1 2.08 0.01 . . . . . . 18 GLN HG3 . 15952 1 213 . 1 1 18 18 GLN C C 13 171.717 0.03 . . . . . . 18 GLN C . 15952 1 214 . 1 1 18 18 GLN CA C 13 52.888 0.03 . . . . . . 18 GLN CA . 15952 1 215 . 1 1 18 18 GLN CB C 13 31.353 0.03 . . . . . . 18 GLN CB . 15952 1 216 . 1 1 18 18 GLN CG C 13 33.8 0.03 . . . . . . 18 GLN CG . 15952 1 217 . 1 1 18 18 GLN N N 15 110.518 0.04 . . . . . . 18 GLN N . 15952 1 218 . 1 1 18 18 GLN NE2 N 15 109.8 0.04 . . . . . . 18 GLN NE2 . 15952 1 219 . 1 1 19 19 LEU H H 1 9.048 0.01 . . . . . . 19 LEU H . 15952 1 220 . 1 1 19 19 LEU HA H 1 4.543 0.01 . . . . . . 19 LEU HA . 15952 1 221 . 1 1 19 19 LEU HB2 H 1 1.815 0.01 . . . . . . 19 LEU HB2 . 15952 1 222 . 1 1 19 19 LEU HB3 H 1 2.117 0.01 . . . . . . 19 LEU HB3 . 15952 1 223 . 1 1 19 19 LEU HD11 H 1 1.1184 0.01 . . . . . . 19 LEU HD1 . 15952 1 224 . 1 1 19 19 LEU HD12 H 1 1.1184 0.01 . . . . . . 19 LEU HD1 . 15952 1 225 . 1 1 19 19 LEU HD13 H 1 1.1184 0.01 . . . . . . 19 LEU HD1 . 15952 1 226 . 1 1 19 19 LEU HD21 H 1 0.825 0.01 . . . . . . 19 LEU HD2 . 15952 1 227 . 1 1 19 19 LEU HD22 H 1 0.825 0.01 . . . . . . 19 LEU HD2 . 15952 1 228 . 1 1 19 19 LEU HD23 H 1 0.825 0.01 . . . . . . 19 LEU HD2 . 15952 1 229 . 1 1 19 19 LEU HG H 1 1.645 0.01 . . . . . . 19 LEU HG . 15952 1 230 . 1 1 19 19 LEU C C 13 173.731 0.03 . . . . . . 19 LEU C . 15952 1 231 . 1 1 19 19 LEU CA C 13 53.873 0.03 . . . . . . 19 LEU CA . 15952 1 232 . 1 1 19 19 LEU CB C 13 44.558 0.03 . . . . . . 19 LEU CB . 15952 1 233 . 1 1 19 19 LEU CD1 C 13 23.74 0.03 . . . . . . 19 LEU CD1 . 15952 1 234 . 1 1 19 19 LEU CD2 C 13 26.34 0.03 . . . . . . 19 LEU CD2 . 15952 1 235 . 1 1 19 19 LEU CG C 13 26.8 0.03 . . . . . . 19 LEU CG . 15952 1 236 . 1 1 19 19 LEU N N 15 124.4 0.04 . . . . . . 19 LEU N . 15952 1 237 . 1 1 20 20 LEU H H 1 9.021 0.01 . . . . . . 20 LEU H . 15952 1 238 . 1 1 20 20 LEU HA H 1 4.852 0.01 . . . . . . 20 LEU HA . 15952 1 239 . 1 1 20 20 LEU HB2 H 1 1.206 0.01 . . . . . . 20 LEU HB2 . 15952 1 240 . 1 1 20 20 LEU HB3 H 1 1.619 0.01 . . . . . . 20 LEU HB3 . 15952 1 241 . 1 1 20 20 LEU HD11 H 1 0.6895 0.01 . . . . . . 20 LEU HD1 . 15952 1 242 . 1 1 20 20 LEU HD12 H 1 0.6895 0.01 . . . . . . 20 LEU HD1 . 15952 1 243 . 1 1 20 20 LEU HD13 H 1 0.6895 0.01 . . . . . . 20 LEU HD1 . 15952 1 244 . 1 1 20 20 LEU HD21 H 1 0.6216 0.01 . . . . . . 20 LEU HD2 . 15952 1 245 . 1 1 20 20 LEU HD22 H 1 0.6216 0.01 . . . . . . 20 LEU HD2 . 15952 1 246 . 1 1 20 20 LEU HD23 H 1 0.6216 0.01 . . . . . . 20 LEU HD2 . 15952 1 247 . 1 1 20 20 LEU HG H 1 1.363 0.01 . . . . . . 20 LEU HG . 15952 1 248 . 1 1 20 20 LEU C C 13 175.696 0.03 . . . . . . 20 LEU C . 15952 1 249 . 1 1 20 20 LEU CA C 13 53.695 0.03 . . . . . . 20 LEU CA . 15952 1 250 . 1 1 20 20 LEU CB C 13 41.956 0.03 . . . . . . 20 LEU CB . 15952 1 251 . 1 1 20 20 LEU CD1 C 13 24.75 0.03 . . . . . . 20 LEU CD1 . 15952 1 252 . 1 1 20 20 LEU CD2 C 13 24.16 0.03 . . . . . . 20 LEU CD2 . 15952 1 253 . 1 1 20 20 LEU CG C 13 26.92 0.03 . . . . . . 20 LEU CG . 15952 1 254 . 1 1 20 20 LEU N N 15 128.415 0.04 . . . . . . 20 LEU N . 15952 1 255 . 1 1 21 21 VAL H H 1 9.073 0.01 . . . . . . 21 VAL H . 15952 1 256 . 1 1 21 21 VAL HA H 1 4.853 0.01 . . . . . . 21 VAL HA . 15952 1 257 . 1 1 21 21 VAL HB H 1 2.11 0.01 . . . . . . 21 VAL HB . 15952 1 258 . 1 1 21 21 VAL HG11 H 1 0.993 0.01 . . . . . . 21 VAL HG1 . 15952 1 259 . 1 1 21 21 VAL HG12 H 1 0.993 0.01 . . . . . . 21 VAL HG1 . 15952 1 260 . 1 1 21 21 VAL HG13 H 1 0.993 0.01 . . . . . . 21 VAL HG1 . 15952 1 261 . 1 1 21 21 VAL HG21 H 1 0.993 0.01 . . . . . . 21 VAL HG2 . 15952 1 262 . 1 1 21 21 VAL HG22 H 1 0.993 0.01 . . . . . . 21 VAL HG2 . 15952 1 263 . 1 1 21 21 VAL HG23 H 1 0.993 0.01 . . . . . . 21 VAL HG2 . 15952 1 264 . 1 1 21 21 VAL C C 13 173.979 0.03 . . . . . . 21 VAL C . 15952 1 265 . 1 1 21 21 VAL CA C 13 60.511 0.03 . . . . . . 21 VAL CA . 15952 1 266 . 1 1 21 21 VAL CB C 13 45.331 0.03 . . . . . . 21 VAL CB . 15952 1 267 . 1 1 21 21 VAL CG1 C 13 21.13 0.03 . . . . . . 21 VAL CG# . 15952 1 268 . 1 1 21 21 VAL CG2 C 13 21.13 0.03 . . . . . . 21 VAL CG# . 15952 1 269 . 1 1 21 21 VAL N N 15 125.838 0.04 . . . . . . 21 VAL N . 15952 1 270 . 1 1 22 22 GLY H H 1 9.486 0.01 . . . . . . 22 GLY NH . 15952 1 271 . 1 1 22 22 GLY HA2 H 1 3.52 0.01 . . . . . . 22 GLY HA1 . 15952 1 272 . 1 1 22 22 GLY HA3 H 1 4.653 0.01 . . . . . . 22 GLY HA2 . 15952 1 273 . 1 1 22 22 GLY C C 13 172.485 0.03 . . . . . . 22 GLY C . 15952 1 274 . 1 1 22 22 GLY CA C 13 43.843 0.03 . . . . . . 22 GLY CA . 15952 1 275 . 1 1 22 22 GLY N N 15 117.254 0.04 . . . . . . 22 GLY N . 15952 1 276 . 1 1 23 23 ILE H H 1 8.831 0.01 . . . . . . 23 ILE H . 15952 1 277 . 1 1 23 23 ILE HA H 1 4.33 0.01 . . . . . . 23 ILE HA . 15952 1 278 . 1 1 23 23 ILE HB H 1 1.883 0.01 . . . . . . 23 ILE HB . 15952 1 279 . 1 1 23 23 ILE HD11 H 1 0.6723 0.01 . . . . . . 23 ILE HD1 . 15952 1 280 . 1 1 23 23 ILE HD12 H 1 0.6723 0.01 . . . . . . 23 ILE HD1 . 15952 1 281 . 1 1 23 23 ILE HD13 H 1 0.6723 0.01 . . . . . . 23 ILE HD1 . 15952 1 282 . 1 1 23 23 ILE HG12 H 1 1.116 0.01 . . . . . . 23 ILE HG11 . 15952 1 283 . 1 1 23 23 ILE HG13 H 1 1.476 0.01 . . . . . . 23 ILE HG12 . 15952 1 284 . 1 1 23 23 ILE HG21 H 1 0.52 0.01 . . . . . . 23 ILE HG2 . 15952 1 285 . 1 1 23 23 ILE HG22 H 1 0.52 0.01 . . . . . . 23 ILE HG2 . 15952 1 286 . 1 1 23 23 ILE HG23 H 1 0.52 0.01 . . . . . . 23 ILE HG2 . 15952 1 287 . 1 1 23 23 ILE C C 13 174.346 0.03 . . . . . . 23 ILE C . 15952 1 288 . 1 1 23 23 ILE CA C 13 58.182 0.03 . . . . . . 23 ILE CA . 15952 1 289 . 1 1 23 23 ILE CB C 13 35.29 0.03 . . . . . . 23 ILE CB . 15952 1 290 . 1 1 23 23 ILE CD1 C 13 10.64 0.03 . . . . . . 23 ILE CD1 . 15952 1 291 . 1 1 23 23 ILE CG1 C 13 26.49 0.03 . . . . . . 23 ILE CG1 . 15952 1 292 . 1 1 23 23 ILE CG2 C 13 17.87 0.03 . . . . . . 23 ILE CG2 . 15952 1 293 . 1 1 23 23 ILE N N 15 125.106 0.04 . . . . . . 23 ILE N . 15952 1 294 . 1 1 24 24 ILE H H 1 8.365 0.01 . . . . . . 24 ILE H . 15952 1 295 . 1 1 24 24 ILE HA H 1 3.903 0.01 . . . . . . 24 ILE HA . 15952 1 296 . 1 1 24 24 ILE HB H 1 1.264 0.01 . . . . . . 24 ILE HB . 15952 1 297 . 1 1 24 24 ILE HD11 H 1 0.3936 0.01 . . . . . . 24 ILE HD1 . 15952 1 298 . 1 1 24 24 ILE HD12 H 1 0.3936 0.01 . . . . . . 24 ILE HD1 . 15952 1 299 . 1 1 24 24 ILE HD13 H 1 0.3936 0.01 . . . . . . 24 ILE HD1 . 15952 1 300 . 1 1 24 24 ILE HG12 H 1 0.8623 0.01 . . . . . . 24 ILE HG11 . 15952 1 301 . 1 1 24 24 ILE HG13 H 1 1.269 0.01 . . . . . . 24 ILE HG12 . 15952 1 302 . 1 1 24 24 ILE HG21 H 1 0.6853 0.01 . . . . . . 24 ILE HG2 . 15952 1 303 . 1 1 24 24 ILE HG22 H 1 0.6853 0.01 . . . . . . 24 ILE HG2 . 15952 1 304 . 1 1 24 24 ILE HG23 H 1 0.6853 0.01 . . . . . . 24 ILE HG2 . 15952 1 305 . 1 1 24 24 ILE C C 13 177.149 0.03 . . . . . . 24 ILE C . 15952 1 306 . 1 1 24 24 ILE CA C 13 65.005 0.03 . . . . . . 24 ILE CA . 15952 1 307 . 1 1 24 24 ILE CB C 13 37.79 0.03 . . . . . . 24 ILE CB . 15952 1 308 . 1 1 24 24 ILE CD1 C 13 12.66 0.03 . . . . . . 24 ILE CD1 . 15952 1 309 . 1 1 24 24 ILE CG1 C 13 27.72 0.03 . . . . . . 24 ILE CG1 . 15952 1 310 . 1 1 24 24 ILE CG2 C 13 17.44 0.03 . . . . . . 24 ILE CG2 . 15952 1 311 . 1 1 24 24 ILE N N 15 126.735 0.04 . . . . . . 24 ILE N . 15952 1 312 . 1 1 25 25 GLN H H 1 7.706 0.01 . . . . . . 25 GLN H . 15952 1 313 . 1 1 25 25 GLN HA H 1 5.123 0.01 . . . . . . 25 GLN HA . 15952 1 314 . 1 1 25 25 GLN HB2 H 1 2.17 0.01 . . . . . . 25 GLN HB2 . 15952 1 315 . 1 1 25 25 GLN HB3 H 1 2.13 0.01 . . . . . . 25 GLN HB3 . 15952 1 316 . 1 1 25 25 GLN HE21 H 1 7.479 0.01 . . . . . . 25 GLN HE21 . 15952 1 317 . 1 1 25 25 GLN HE22 H 1 6.932 0.01 . . . . . . 25 GLN HE22 . 15952 1 318 . 1 1 25 25 GLN HG3 H 1 2.1 0.01 . . . . . . 25 GLN HG3 . 15952 1 319 . 1 1 25 25 GLN C C 13 171.152 0.03 . . . . . . 25 GLN C . 15952 1 320 . 1 1 25 25 GLN CA C 13 54.295 0.03 . . . . . . 25 GLN CA . 15952 1 321 . 1 1 25 25 GLN CB C 13 30.953 0.03 . . . . . . 25 GLN CB . 15952 1 322 . 1 1 25 25 GLN CG C 13 31.57 0.03 . . . . . . 25 GLN CG . 15952 1 323 . 1 1 25 25 GLN N N 15 110.662 0.04 . . . . . . 25 GLN N . 15952 1 324 . 1 1 25 25 GLN NE2 N 15 113.7 0.04 . . . . . . 25 GLN NE2 . 15952 1 325 . 1 1 26 26 ALA H H 1 9.195 0.01 . . . . . . 26 ALA H . 15952 1 326 . 1 1 26 26 ALA HA H 1 5.74 0.01 . . . . . . 26 ALA HA . 15952 1 327 . 1 1 26 26 ALA HB1 H 1 1.54 0.01 . . . . . . 26 ALA HB . 15952 1 328 . 1 1 26 26 ALA HB2 H 1 1.54 0.01 . . . . . . 26 ALA HB . 15952 1 329 . 1 1 26 26 ALA HB3 H 1 1.54 0.01 . . . . . . 26 ALA HB . 15952 1 330 . 1 1 26 26 ALA C C 13 171.937 0.03 . . . . . . 26 ALA C . 15952 1 331 . 1 1 26 26 ALA CA C 13 49.951 0.03 . . . . . . 26 ALA CA . 15952 1 332 . 1 1 26 26 ALA CB C 13 22.406 0.03 . . . . . . 26 ALA CB . 15952 1 333 . 1 1 26 26 ALA N N 15 121.3 0.04 . . . . . . 26 ALA N . 15952 1 334 . 1 1 27 27 ALA H H 1 9.118 0.01 . . . . . . 27 ALA H . 15952 1 335 . 1 1 27 27 ALA HA H 1 5.353 0.01 . . . . . . 27 ALA HA . 15952 1 336 . 1 1 27 27 ALA HB1 H 1 1.319 0.01 . . . . . . 27 ALA HB . 15952 1 337 . 1 1 27 27 ALA HB2 H 1 1.319 0.01 . . . . . . 27 ALA HB . 15952 1 338 . 1 1 27 27 ALA HB3 H 1 1.319 0.01 . . . . . . 27 ALA HB . 15952 1 339 . 1 1 27 27 ALA C C 13 174.984 0.03 . . . . . . 27 ALA C . 15952 1 340 . 1 1 27 27 ALA CA C 13 50.524 0.03 . . . . . . 27 ALA CA . 15952 1 341 . 1 1 27 27 ALA CB C 13 24.047 0.03 . . . . . . 27 ALA CB . 15952 1 342 . 1 1 27 27 ALA N N 15 120.1 0.04 . . . . . . 27 ALA N . 15952 1 343 . 1 1 28 28 GLU H H 1 8.453 0.01 . . . . . . 28 GLU H . 15952 1 344 . 1 1 28 28 GLU HA H 1 3.648 0.01 . . . . . . 28 GLU HA . 15952 1 345 . 1 1 28 28 GLU HB2 H 1 2.064 0.01 . . . . . . 28 GLU HB2 . 15952 1 346 . 1 1 28 28 GLU HB3 H 1 2.064 0.01 . . . . . . 28 GLU HB3 . 15952 1 347 . 1 1 28 28 GLU HG2 H 1 2.01 0.01 . . . . . . 28 GLU HG2 . 15952 1 348 . 1 1 28 28 GLU HG3 H 1 2.07 0.01 . . . . . . 28 GLU HG3 . 15952 1 349 . 1 1 28 28 GLU C C 13 174.427 0.03 . . . . . . 28 GLU C . 15952 1 350 . 1 1 28 28 GLU CA C 13 56.032 0.03 . . . . . . 28 GLU CA . 15952 1 351 . 1 1 28 28 GLU CB C 13 25.966 0.03 . . . . . . 28 GLU CB . 15952 1 352 . 1 1 28 28 GLU CG C 13 36.48 0.03 . . . . . . 28 GLU CG . 15952 1 353 . 1 1 28 28 GLU N N 15 112.6 0.04 . . . . . . 28 GLU N . 15952 1 354 . 1 1 29 29 LEU H H 1 7.951 0.01 . . . . . . 29 LEU H . 15952 1 355 . 1 1 29 29 LEU HA H 1 4.33 0.01 . . . . . . 29 LEU HA . 15952 1 356 . 1 1 29 29 LEU HB2 H 1 1.27 0.01 . . . . . . 29 LEU HB2 . 15952 1 357 . 1 1 29 29 LEU HB3 H 1 1.71 0.01 . . . . . . 29 LEU HB3 . 15952 1 358 . 1 1 29 29 LEU HD11 H 1 0.908 0.01 . . . . . . 29 LEU HD1 . 15952 1 359 . 1 1 29 29 LEU HD12 H 1 0.908 0.01 . . . . . . 29 LEU HD1 . 15952 1 360 . 1 1 29 29 LEU HD13 H 1 0.908 0.01 . . . . . . 29 LEU HD1 . 15952 1 361 . 1 1 29 29 LEU HD21 H 1 0.72 0.01 . . . . . . 29 LEU HD2 . 15952 1 362 . 1 1 29 29 LEU HD22 H 1 0.72 0.01 . . . . . . 29 LEU HD2 . 15952 1 363 . 1 1 29 29 LEU HD23 H 1 0.72 0.01 . . . . . . 29 LEU HD2 . 15952 1 364 . 1 1 29 29 LEU HG H 1 1.678 0.01 . . . . . . 29 LEU HG . 15952 1 365 . 1 1 29 29 LEU C C 13 173.8 0.03 . . . . . . 29 LEU C . 15952 1 366 . 1 1 29 29 LEU CA C 13 53.295 0.03 . . . . . . 29 LEU CA . 15952 1 367 . 1 1 29 29 LEU CB C 13 39.64 0.03 . . . . . . 29 LEU CB . 15952 1 368 . 1 1 29 29 LEU CD1 C 13 22.2 0.03 . . . . . . 29 LEU CD1 . 15952 1 369 . 1 1 29 29 LEU CD2 C 13 26.4 0.03 . . . . . . 29 LEU CD2 . 15952 1 370 . 1 1 29 29 LEU CG C 13 26.4 0.03 . . . . . . 29 LEU CG . 15952 1 371 . 1 1 29 29 LEU N N 15 116.093 0.04 . . . . . . 29 LEU N . 15952 1 372 . 1 1 30 30 PRO HA H 1 4.327 0.01 . . . . . . 30 PRO HA . 15952 1 373 . 1 1 30 30 PRO HB2 H 1 1.621 0.01 . . . . . . 30 PRO HB2 . 15952 1 374 . 1 1 30 30 PRO HB3 H 1 2.187 0.01 . . . . . . 30 PRO HB3 . 15952 1 375 . 1 1 30 30 PRO HD2 H 1 3.311 0.01 . . . . . . 30 PRO HD2 . 15952 1 376 . 1 1 30 30 PRO HD3 H 1 3.68 0.01 . . . . . . 30 PRO HD3 . 15952 1 377 . 1 1 30 30 PRO HG2 H 1 1.903 0.01 . . . . . . 30 PRO HG2 . 15952 1 378 . 1 1 30 30 PRO HG3 H 1 1.957 0.01 . . . . . . 30 PRO HG3 . 15952 1 379 . 1 1 30 30 PRO C C 13 175.525 0.03 . . . . . . 30 PRO C . 15952 1 380 . 1 1 30 30 PRO CA C 13 61.76 0.03 . . . . . . 30 PRO CA . 15952 1 381 . 1 1 30 30 PRO CB C 13 31.492 0.03 . . . . . . 30 PRO CB . 15952 1 382 . 1 1 30 30 PRO CD C 13 49.22 0.03 . . . . . . 30 PRO CD . 15952 1 383 . 1 1 30 30 PRO CG C 13 27.5 0.03 . . . . . . 30 PRO CG . 15952 1 384 . 1 1 31 31 ALA H H 1 8.128 0.01 . . . . . . 31 ALA H . 15952 1 385 . 1 1 31 31 ALA HA H 1 4.13 0.01 . . . . . . 31 ALA HA . 15952 1 386 . 1 1 31 31 ALA HB1 H 1 1.15 0.01 . . . . . . 31 ALA HB . 15952 1 387 . 1 1 31 31 ALA HB2 H 1 1.15 0.01 . . . . . . 31 ALA HB . 15952 1 388 . 1 1 31 31 ALA HB3 H 1 1.15 0.01 . . . . . . 31 ALA HB . 15952 1 389 . 1 1 31 31 ALA C C 13 177.222 0.03 . . . . . . 31 ALA C . 15952 1 390 . 1 1 31 31 ALA CA C 13 50.604 0.03 . . . . . . 31 ALA CA . 15952 1 391 . 1 1 31 31 ALA CB C 13 18.576 0.03 . . . . . . 31 ALA CB . 15952 1 392 . 1 1 31 31 ALA N N 15 122.487 0.04 . . . . . . 31 ALA N . 15952 1 393 . 1 1 32 32 LEU H H 1 8.035 0.01 . . . . . . 32 LEU H . 15952 1 394 . 1 1 32 32 LEU HA H 1 4.24 0.01 . . . . . . 32 LEU HA . 15952 1 395 . 1 1 32 32 LEU HB2 H 1 1.531 0.01 . . . . . . 32 LEU HB2 . 15952 1 396 . 1 1 32 32 LEU HB3 H 1 1.531 0.01 . . . . . . 32 LEU HB3 . 15952 1 397 . 1 1 32 32 LEU HD11 H 1 0.7411 0.01 . . . . . . 32 LEU HD1 . 15952 1 398 . 1 1 32 32 LEU HD12 H 1 0.7411 0.01 . . . . . . 32 LEU HD1 . 15952 1 399 . 1 1 32 32 LEU HD13 H 1 0.7411 0.01 . . . . . . 32 LEU HD1 . 15952 1 400 . 1 1 32 32 LEU HD21 H 1 0.713 0.01 . . . . . . 32 LEU HD2 . 15952 1 401 . 1 1 32 32 LEU HD22 H 1 0.713 0.01 . . . . . . 32 LEU HD2 . 15952 1 402 . 1 1 32 32 LEU HD23 H 1 0.713 0.01 . . . . . . 32 LEU HD2 . 15952 1 403 . 1 1 32 32 LEU HG H 1 1.472 0.01 . . . . . . 32 LEU HG . 15952 1 404 . 1 1 32 32 LEU C C 13 176.852 0.03 . . . . . . 32 LEU C . 15952 1 405 . 1 1 32 32 LEU CA C 13 55.041 0.03 . . . . . . 32 LEU CA . 15952 1 406 . 1 1 32 32 LEU CB C 13 42.916 0.03 . . . . . . 32 LEU CB . 15952 1 407 . 1 1 32 32 LEU CD1 C 13 24.53 0.03 . . . . . . 32 LEU CD1 . 15952 1 408 . 1 1 32 32 LEU CD2 C 13 22.87 0.03 . . . . . . 32 LEU CD2 . 15952 1 409 . 1 1 32 32 LEU CG C 13 27.43 0.03 . . . . . . 32 LEU CG . 15952 1 410 . 1 1 32 32 LEU N N 15 124.4 0.04 . . . . . . 32 LEU N . 15952 1 411 . 1 1 33 33 ASP H H 1 8.4 0.01 . . . . . . 33 ASP H . 15952 1 412 . 1 1 33 33 ASP HA H 1 4.785 0.01 . . . . . . 33 ASP HA . 15952 1 413 . 1 1 33 33 ASP HB2 H 1 2.706 0.01 . . . . . . 33 ASP HB2 . 15952 1 414 . 1 1 33 33 ASP HB3 H 1 2.677 0.01 . . . . . . 33 ASP HB3 . 15952 1 415 . 1 1 33 33 ASP C C 13 176.2 0.03 . . . . . . 33 ASP C . 15952 1 416 . 1 1 33 33 ASP CA C 13 52.948 0.03 . . . . . . 33 ASP CA . 15952 1 417 . 1 1 33 33 ASP CB C 13 41.578 0.03 . . . . . . 33 ASP CB . 15952 1 418 . 1 1 33 33 ASP N N 15 119.8 0.04 . . . . . . 33 ASP N . 15952 1 419 . 1 1 34 34 MET H H 1 8.492 0.01 . . . . . . 34 MET H . 15952 1 420 . 1 1 34 34 MET HA H 1 4.213 0.01 . . . . . . 34 MET HA . 15952 1 421 . 1 1 34 34 MET HB2 H 1 2.056 0.01 . . . . . . 34 MET HB2 . 15952 1 422 . 1 1 34 34 MET HB3 H 1 2.056 0.01 . . . . . . 34 MET HB3 . 15952 1 423 . 1 1 34 34 MET HG2 H 1 2.486 0.01 . . . . . . 34 MET HG2 . 15952 1 424 . 1 1 34 34 MET HG3 H 1 2.543 0.01 . . . . . . 34 MET HG3 . 15952 1 425 . 1 1 34 34 MET C C 13 176.483 0.03 . . . . . . 34 MET C . 15952 1 426 . 1 1 34 34 MET CA C 13 56.561 0.03 . . . . . . 34 MET CA . 15952 1 427 . 1 1 34 34 MET CB C 13 31.288 0.03 . . . . . . 34 MET CB . 15952 1 428 . 1 1 34 34 MET CG C 13 31.34 0.03 . . . . . . 34 MET CG . 15952 1 429 . 1 1 34 34 MET N N 15 120.0 0.04 . . . . . . 34 MET N . 15952 1 430 . 1 1 35 35 GLY H H 1 8.668 0.01 . . . . . . 35 GLY NH . 15952 1 431 . 1 1 35 35 GLY HA2 H 1 3.818 0.01 . . . . . . 35 GLY HA1 . 15952 1 432 . 1 1 35 35 GLY HA3 H 1 4.039 0.01 . . . . . . 35 GLY HA2 . 15952 1 433 . 1 1 35 35 GLY C C 13 174.831 0.03 . . . . . . 35 GLY C . 15952 1 434 . 1 1 35 35 GLY CA C 13 44.884 0.03 . . . . . . 35 GLY CA . 15952 1 435 . 1 1 35 35 GLY N N 15 110.4 0.04 . . . . . . 35 GLY N . 15952 1 436 . 1 1 36 36 GLY H H 1 8.008 0.01 . . . . . . 36 GLY NH . 15952 1 437 . 1 1 36 36 GLY HA2 H 1 3.861 0.01 . . . . . . 36 GLY HA1 . 15952 1 438 . 1 1 36 36 GLY HA3 H 1 4.0 0.01 . . . . . . 36 GLY HA2 . 15952 1 439 . 1 1 36 36 GLY C C 13 173.194 0.03 . . . . . . 36 GLY C . 15952 1 440 . 1 1 36 36 GLY CA C 13 45.427 0.03 . . . . . . 36 GLY CA . 15952 1 441 . 1 1 36 36 GLY N N 15 107.4 0.04 . . . . . . 36 GLY N . 15952 1 442 . 1 1 37 37 THR H H 1 7.476 0.01 . . . . . . 37 THR H . 15952 1 443 . 1 1 37 37 THR HA H 1 4.511 0.01 . . . . . . 37 THR HA . 15952 1 444 . 1 1 37 37 THR HB H 1 3.994 0.01 . . . . . . 37 THR HB . 15952 1 445 . 1 1 37 37 THR HG21 H 1 0.9872 0.01 . . . . . . 37 THR HG2 . 15952 1 446 . 1 1 37 37 THR HG22 H 1 0.9872 0.01 . . . . . . 37 THR HG2 . 15952 1 447 . 1 1 37 37 THR HG23 H 1 0.9872 0.01 . . . . . . 37 THR HG2 . 15952 1 448 . 1 1 37 37 THR C C 13 171.355 0.03 . . . . . . 37 THR C . 15952 1 449 . 1 1 37 37 THR CA C 13 59.954 0.03 . . . . . . 37 THR CA . 15952 1 450 . 1 1 37 37 THR CB C 13 70.589 0.03 . . . . . . 37 THR CB . 15952 1 451 . 1 1 37 37 THR CG2 C 13 20.84 0.03 . . . . . . 37 THR CG . 15952 1 452 . 1 1 37 37 THR N N 15 111.1 0.04 . . . . . . 37 THR N . 15952 1 453 . 1 1 38 38 SER H H 1 7.257 0.01 . . . . . . 38 SER H . 15952 1 454 . 1 1 38 38 SER HA H 1 4.707 0.01 . . . . . . 38 SER HA . 15952 1 455 . 1 1 38 38 SER HB2 H 1 3.475 0.01 . . . . . . 38 SER HB2 . 15952 1 456 . 1 1 38 38 SER HB3 H 1 3.719 0.01 . . . . . . 38 SER HB3 . 15952 1 457 . 1 1 38 38 SER C C 13 170.198 0.03 . . . . . . 38 SER C . 15952 1 458 . 1 1 38 38 SER CA C 13 57.664 0.03 . . . . . . 38 SER CA . 15952 1 459 . 1 1 38 38 SER N N 15 115.811 0.04 . . . . . . 38 SER N . 15952 1 460 . 1 1 39 39 ASP H H 1 8.698 0.01 . . . . . . 39 ASP H . 15952 1 461 . 1 1 39 39 ASP HA H 1 5.94 0.01 . . . . . . 39 ASP HA . 15952 1 462 . 1 1 39 39 ASP HB2 H 1 2.57 0.01 . . . . . . 39 ASP HB2 . 15952 1 463 . 1 1 39 39 ASP HB3 H 1 3.14 0.01 . . . . . . 39 ASP HB3 . 15952 1 464 . 1 1 39 39 ASP C C 13 172.5 0.03 . . . . . . 39 ASP C . 15952 1 465 . 1 1 39 39 ASP CA C 13 51.058 0.03 . . . . . . 39 ASP CA . 15952 1 466 . 1 1 39 39 ASP CB C 13 42.21 0.03 . . . . . . 39 ASP CB . 15952 1 467 . 1 1 39 39 ASP N N 15 121.288 0.04 . . . . . . 39 ASP N . 15952 1 468 . 1 1 40 40 PRO HA H 1 5.826 0.01 . . . . . . 40 PRO HA . 15952 1 469 . 1 1 40 40 PRO HB2 H 1 1.706 0.01 . . . . . . 40 PRO HB2 . 15952 1 470 . 1 1 40 40 PRO HB3 H 1 2.033 0.01 . . . . . . 40 PRO HB3 . 15952 1 471 . 1 1 40 40 PRO HD2 H 1 3.579 0.01 . . . . . . 40 PRO HD2 . 15952 1 472 . 1 1 40 40 PRO HD3 H 1 4.208 0.01 . . . . . . 40 PRO HD3 . 15952 1 473 . 1 1 40 40 PRO HG2 H 1 1.664 0.01 . . . . . . 40 PRO HG2 . 15952 1 474 . 1 1 40 40 PRO HG3 H 1 1.881 0.01 . . . . . . 40 PRO HG3 . 15952 1 475 . 1 1 40 40 PRO C C 13 176.317 0.03 . . . . . . 40 PRO C . 15952 1 476 . 1 1 40 40 PRO CA C 13 62.44 0.03 . . . . . . 40 PRO CA . 15952 1 477 . 1 1 40 40 PRO CB C 13 34.37 0.03 . . . . . . 40 PRO CB . 15952 1 478 . 1 1 40 40 PRO CD C 13 50.01 0.03 . . . . . . 40 PRO CD . 15952 1 479 . 1 1 40 40 PRO CG C 13 28.08 0.03 . . . . . . 40 PRO CG . 15952 1 480 . 1 1 41 41 TYR H H 1 8.703 0.01 . . . . . . 41 TYR H . 15952 1 481 . 1 1 41 41 TYR HA H 1 4.795 0.01 . . . . . . 41 TYR HA . 15952 1 482 . 1 1 41 41 TYR HB3 H 1 3.045 0.01 . . . . . . 41 TYR HB3 . 15952 1 483 . 1 1 41 41 TYR HE1 H 1 6.65 0.01 . . . . . . 41 TYR HE1 . 15952 1 484 . 1 1 41 41 TYR HE2 H 1 6.65 0.01 . . . . . . 41 TYR HE2 . 15952 1 485 . 1 1 41 41 TYR C C 13 171.425 0.03 . . . . . . 41 TYR C . 15952 1 486 . 1 1 41 41 TYR CA C 13 56.15 0.03 . . . . . . 41 TYR CA . 15952 1 487 . 1 1 41 41 TYR CB C 13 40.246 0.03 . . . . . . 41 TYR CB . 15952 1 488 . 1 1 41 41 TYR N N 15 113.769 0.04 . . . . . . 41 TYR N . 15952 1 489 . 1 1 42 42 VAL H H 1 8.352 0.01 . . . . . . 42 VAL H . 15952 1 490 . 1 1 42 42 VAL HA H 1 5.02 0.01 . . . . . . 42 VAL HA . 15952 1 491 . 1 1 42 42 VAL HB H 1 1.509 0.01 . . . . . . 42 VAL HB . 15952 1 492 . 1 1 42 42 VAL HG11 H 1 0.6271 0.01 . . . . . . 42 VAL HG1 . 15952 1 493 . 1 1 42 42 VAL HG12 H 1 0.6271 0.01 . . . . . . 42 VAL HG1 . 15952 1 494 . 1 1 42 42 VAL HG13 H 1 0.6271 0.01 . . . . . . 42 VAL HG1 . 15952 1 495 . 1 1 42 42 VAL HG21 H 1 0.2345 0.01 . . . . . . 42 VAL HG2 . 15952 1 496 . 1 1 42 42 VAL HG22 H 1 0.2345 0.01 . . . . . . 42 VAL HG2 . 15952 1 497 . 1 1 42 42 VAL HG23 H 1 0.2345 0.01 . . . . . . 42 VAL HG2 . 15952 1 498 . 1 1 42 42 VAL C C 13 174.456 0.03 . . . . . . 42 VAL C . 15952 1 499 . 1 1 42 42 VAL CA C 13 60.064 0.03 . . . . . . 42 VAL CA . 15952 1 500 . 1 1 42 42 VAL CB C 13 33.816 0.03 . . . . . . 42 VAL CB . 15952 1 501 . 1 1 42 42 VAL CG1 C 13 21.02 0.03 . . . . . . 42 VAL CG1 . 15952 1 502 . 1 1 42 42 VAL CG2 C 13 22.76 0.03 . . . . . . 42 VAL CG2 . 15952 1 503 . 1 1 42 42 VAL N N 15 119.919 0.04 . . . . . . 42 VAL N . 15952 1 504 . 1 1 43 43 LYS H H 1 9.415 0.01 . . . . . . 43 LYS H . 15952 1 505 . 1 1 43 43 LYS HA H 1 5.374 0.01 . . . . . . 43 LYS HA . 15952 1 506 . 1 1 43 43 LYS HB2 H 1 1.75 0.01 . . . . . . 43 LYS HB2 . 15952 1 507 . 1 1 43 43 LYS HB3 H 1 1.795 0.01 . . . . . . 43 LYS HB3 . 15952 1 508 . 1 1 43 43 LYS HD2 H 1 1.386 0.01 . . . . . . 43 LYS HD1 . 15952 1 509 . 1 1 43 43 LYS HD3 H 1 1.462 0.01 . . . . . . 43 LYS HD2 . 15952 1 510 . 1 1 43 43 LYS HE3 H 1 2.55 0.01 . . . . . . 43 LYS HE2 . 15952 1 511 . 1 1 43 43 LYS HG2 H 1 1.347 0.01 . . . . . . 43 LYS HG2 . 15952 1 512 . 1 1 43 43 LYS HG3 H 1 1.342 0.01 . . . . . . 43 LYS HG3 . 15952 1 513 . 1 1 43 43 LYS C C 13 174.518 0.03 . . . . . . 43 LYS C . 15952 1 514 . 1 1 43 43 LYS CA C 13 54.601 0.03 . . . . . . 43 LYS CA . 15952 1 515 . 1 1 43 43 LYS CB C 13 36.096 0.03 . . . . . . 43 LYS CB . 15952 1 516 . 1 1 43 43 LYS CD C 13 30.0 0.03 . . . . . . 43 LYS CD . 15952 1 517 . 1 1 43 43 LYS CE C 13 41.0 0.03 . . . . . . 43 LYS CE . 15952 1 518 . 1 1 43 43 LYS CG C 13 25.44 0.03 . . . . . . 43 LYS CG . 15952 1 519 . 1 1 43 43 LYS N N 15 125.776 0.04 . . . . . . 43 LYS N . 15952 1 520 . 1 1 44 44 VAL H H 1 8.845 0.01 . . . . . . 44 VAL H . 15952 1 521 . 1 1 44 44 VAL HA H 1 5.326 0.01 . . . . . . 44 VAL HA . 15952 1 522 . 1 1 44 44 VAL HB H 1 1.744 0.01 . . . . . . 44 VAL HB . 15952 1 523 . 1 1 44 44 VAL HG11 H 1 0.9112 0.01 . . . . . . 44 VAL HG1 . 15952 1 524 . 1 1 44 44 VAL HG12 H 1 0.9112 0.01 . . . . . . 44 VAL HG1 . 15952 1 525 . 1 1 44 44 VAL HG13 H 1 0.9112 0.01 . . . . . . 44 VAL HG1 . 15952 1 526 . 1 1 44 44 VAL HG21 H 1 0.7981 0.01 . . . . . . 44 VAL HG2 . 15952 1 527 . 1 1 44 44 VAL HG22 H 1 0.7981 0.01 . . . . . . 44 VAL HG2 . 15952 1 528 . 1 1 44 44 VAL HG23 H 1 0.7981 0.01 . . . . . . 44 VAL HG2 . 15952 1 529 . 1 1 44 44 VAL C C 13 173.928 0.03 . . . . . . 44 VAL C . 15952 1 530 . 1 1 44 44 VAL CA C 13 59.365 0.03 . . . . . . 44 VAL CA . 15952 1 531 . 1 1 44 44 VAL CB C 13 34.818 0.03 . . . . . . 44 VAL CB . 15952 1 532 . 1 1 44 44 VAL CG1 C 13 21.53 0.03 . . . . . . 44 VAL CG1 . 15952 1 533 . 1 1 44 44 VAL CG2 C 13 21.89 0.03 . . . . . . 44 VAL CG2 . 15952 1 534 . 1 1 44 44 VAL N N 15 121.484 0.04 . . . . . . 44 VAL N . 15952 1 535 . 1 1 45 45 PHE H H 1 8.254 0.01 . . . . . . 45 PHE H . 15952 1 536 . 1 1 45 45 PHE HA H 1 4.971 0.01 . . . . . . 45 PHE HA . 15952 1 537 . 1 1 45 45 PHE HB2 H 1 2.979 0.01 . . . . . . 45 PHE HB1 . 15952 1 538 . 1 1 45 45 PHE HB3 H 1 3.43 0.01 . . . . . . 45 PHE HB2 . 15952 1 539 . 1 1 45 45 PHE C C 13 171.102 0.03 . . . . . . 45 PHE C . 15952 1 540 . 1 1 45 45 PHE CA C 13 55.886 0.03 . . . . . . 45 PHE CA . 15952 1 541 . 1 1 45 45 PHE CB C 13 39.882 0.03 . . . . . . 45 PHE CB . 15952 1 542 . 1 1 45 45 PHE N N 15 120.6 0.04 . . . . . . 45 PHE N . 15952 1 543 . 1 1 46 46 LEU H H 1 9.137 0.01 . . . . . . 46 LEU H . 15952 1 544 . 1 1 46 46 LEU HA H 1 4.189 0.01 . . . . . . 46 LEU HA . 15952 1 545 . 1 1 46 46 LEU HB2 H 1 1.602 0.01 . . . . . . 46 LEU HB2 . 15952 1 546 . 1 1 46 46 LEU HB3 H 1 1.685 0.01 . . . . . . 46 LEU HB3 . 15952 1 547 . 1 1 46 46 LEU HD11 H 1 0.3547 0.01 . . . . . . 46 LEU HD1 . 15952 1 548 . 1 1 46 46 LEU HD12 H 1 0.3547 0.01 . . . . . . 46 LEU HD1 . 15952 1 549 . 1 1 46 46 LEU HD13 H 1 0.3547 0.01 . . . . . . 46 LEU HD1 . 15952 1 550 . 1 1 46 46 LEU HD21 H 1 0.3547 0.01 . . . . . . 46 LEU HD2 . 15952 1 551 . 1 1 46 46 LEU HD22 H 1 0.3547 0.01 . . . . . . 46 LEU HD2 . 15952 1 552 . 1 1 46 46 LEU HD23 H 1 0.3547 0.01 . . . . . . 46 LEU HD2 . 15952 1 553 . 1 1 46 46 LEU HG H 1 0.93 0.01 . . . . . . 46 LEU HG . 15952 1 554 . 1 1 46 46 LEU C C 13 176.176 0.03 . . . . . . 46 LEU C . 15952 1 555 . 1 1 46 46 LEU CA C 13 52.376 0.03 . . . . . . 46 LEU CA . 15952 1 556 . 1 1 46 46 LEU CB C 13 43.229 0.03 . . . . . . 46 LEU CB . 15952 1 557 . 1 1 46 46 LEU CD1 C 13 24.5 0.03 . . . . . . 46 LEU CD1 . 15952 1 558 . 1 1 46 46 LEU CD2 C 13 24.5 0.03 . . . . . . 46 LEU CD2 . 15952 1 559 . 1 1 46 46 LEU CG C 13 25.73 0.03 . . . . . . 46 LEU CG . 15952 1 560 . 1 1 46 46 LEU N N 15 121.444 0.04 . . . . . . 46 LEU N . 15952 1 561 . 1 1 47 47 LEU H H 1 8.945 0.01 . . . . . . 47 LEU H . 15952 1 562 . 1 1 47 47 LEU HA H 1 4.185 0.01 . . . . . . 47 LEU HA . 15952 1 563 . 1 1 47 47 LEU HB2 H 1 1.49 0.01 . . . . . . 47 LEU HB2 . 15952 1 564 . 1 1 47 47 LEU HB3 H 1 1.64 0.01 . . . . . . 47 LEU HB3 . 15952 1 565 . 1 1 47 47 LEU HD11 H 1 0.9293 0.01 . . . . . . 47 LEU HD1 . 15952 1 566 . 1 1 47 47 LEU HD12 H 1 0.9293 0.01 . . . . . . 47 LEU HD1 . 15952 1 567 . 1 1 47 47 LEU HD13 H 1 0.9293 0.01 . . . . . . 47 LEU HD1 . 15952 1 568 . 1 1 47 47 LEU HD21 H 1 0.759 0.01 . . . . . . 47 LEU HD2 . 15952 1 569 . 1 1 47 47 LEU HD22 H 1 0.759 0.01 . . . . . . 47 LEU HD2 . 15952 1 570 . 1 1 47 47 LEU HD23 H 1 0.759 0.01 . . . . . . 47 LEU HD2 . 15952 1 571 . 1 1 47 47 LEU HG H 1 0.658 0.01 . . . . . . 47 LEU HG . 15952 1 572 . 1 1 47 47 LEU C C 13 175.8 0.03 . . . . . . 47 LEU C . 15952 1 573 . 1 1 47 47 LEU CA C 13 52.926 0.03 . . . . . . 47 LEU CA . 15952 1 574 . 1 1 47 47 LEU CB C 13 41.01 0.03 . . . . . . 47 LEU CB . 15952 1 575 . 1 1 47 47 LEU CD1 C 13 24.5 0.03 . . . . . . 47 LEU CD1 . 15952 1 576 . 1 1 47 47 LEU CD2 C 13 24.5 0.03 . . . . . . 47 LEU CD2 . 15952 1 577 . 1 1 47 47 LEU CG C 13 25.73 0.03 . . . . . . 47 LEU CG . 15952 1 578 . 1 1 47 47 LEU N N 15 123.9 0.04 . . . . . . 47 LEU N . 15952 1 579 . 1 1 48 48 PRO HA H 1 4.474 0.01 . . . . . . 48 PRO HA . 15952 1 580 . 1 1 48 48 PRO HB2 H 1 2.123 0.01 . . . . . . 48 PRO HB2 . 15952 1 581 . 1 1 48 48 PRO HB3 H 1 1.936 0.01 . . . . . . 48 PRO HB3 . 15952 1 582 . 1 1 48 48 PRO HD2 H 1 3.589 0.01 . . . . . . 48 PRO HD2 . 15952 1 583 . 1 1 48 48 PRO HD3 H 1 3.684 0.01 . . . . . . 48 PRO HD3 . 15952 1 584 . 1 1 48 48 PRO HG2 H 1 1.875 0.01 . . . . . . 48 PRO HG2 . 15952 1 585 . 1 1 48 48 PRO HG3 H 1 1.992 0.01 . . . . . . 48 PRO HG3 . 15952 1 586 . 1 1 48 48 PRO C C 13 176.188 0.03 . . . . . . 48 PRO C . 15952 1 587 . 1 1 48 48 PRO CA C 13 62.992 0.03 . . . . . . 48 PRO CA . 15952 1 588 . 1 1 48 48 PRO CD C 13 50.23 0.03 . . . . . . 48 PRO CD . 15952 1 589 . 1 1 48 48 PRO CG C 13 25.1 0.03 . . . . . . 48 PRO CG . 15952 1 590 . 1 1 49 49 ASP H H 1 8.467 0.01 . . . . . . 49 ASP H . 15952 1 591 . 1 1 49 49 ASP HA H 1 4.576 0.01 . . . . . . 49 ASP HA . 15952 1 592 . 1 1 49 49 ASP HB2 H 1 2.67 0.01 . . . . . . 49 ASP HB2 . 15952 1 593 . 1 1 49 49 ASP HB3 H 1 2.905 0.01 . . . . . . 49 ASP HB3 . 15952 1 594 . 1 1 49 49 ASP C C 13 175.304 0.03 . . . . . . 49 ASP C . 15952 1 595 . 1 1 49 49 ASP CA C 13 55.199 0.03 . . . . . . 49 ASP CA . 15952 1 596 . 1 1 49 49 ASP CB C 13 40.158 0.03 . . . . . . 49 ASP CB . 15952 1 597 . 1 1 49 49 ASP N N 15 113.8 0.04 . . . . . . 49 ASP N . 15952 1 598 . 1 1 50 50 LYS H H 1 8.329 0.01 . . . . . . 50 LYS H . 15952 1 599 . 1 1 50 50 LYS HA H 1 3.949 0.01 . . . . . . 50 LYS HA . 15952 1 600 . 1 1 50 50 LYS HB2 H 1 1.541 0.01 . . . . . . 50 LYS HB2 . 15952 1 601 . 1 1 50 50 LYS HB3 H 1 1.541 0.01 . . . . . . 50 LYS HB3 . 15952 1 602 . 1 1 50 50 LYS HD2 H 1 1.463 0.01 . . . . . . 50 LYS HD1 . 15952 1 603 . 1 1 50 50 LYS HD3 H 1 1.463 0.01 . . . . . . 50 LYS HD2 . 15952 1 604 . 1 1 50 50 LYS HE2 H 1 2.92 0.01 . . . . . . 50 LYS HE1 . 15952 1 605 . 1 1 50 50 LYS HE3 H 1 2.92 0.01 . . . . . . 50 LYS HE2 . 15952 1 606 . 1 1 50 50 LYS HG2 H 1 1.14 0.01 . . . . . . 50 LYS HG2 . 15952 1 607 . 1 1 50 50 LYS HG3 H 1 1.25 0.01 . . . . . . 50 LYS HG3 . 15952 1 608 . 1 1 50 50 LYS C C 13 175.754 0.03 . . . . . . 50 LYS C . 15952 1 609 . 1 1 50 50 LYS CA C 13 56.803 0.03 . . . . . . 50 LYS CA . 15952 1 610 . 1 1 50 50 LYS CB C 13 32.059 0.03 . . . . . . 50 LYS CB . 15952 1 611 . 1 1 50 50 LYS CD C 13 28.55 0.03 . . . . . . 50 LYS CD . 15952 1 612 . 1 1 50 50 LYS CE C 13 41.65 0.03 . . . . . . 50 LYS CE . 15952 1 613 . 1 1 50 50 LYS CG C 13 24.79 0.03 . . . . . . 50 LYS CG . 15952 1 614 . 1 1 50 50 LYS N N 15 120.081 0.04 . . . . . . 50 LYS N . 15952 1 615 . 1 1 51 51 LYS H H 1 8.099 0.01 . . . . . . 51 LYS H . 15952 1 616 . 1 1 51 51 LYS HA H 1 3.95 0.01 . . . . . . 51 LYS HA . 15952 1 617 . 1 1 51 51 LYS HB2 H 1 1.775 0.01 . . . . . . 51 LYS HB2 . 15952 1 618 . 1 1 51 51 LYS HB3 H 1 1.775 0.01 . . . . . . 51 LYS HB3 . 15952 1 619 . 1 1 51 51 LYS HD2 H 1 1.593 0.01 . . . . . . 51 LYS HD1 . 15952 1 620 . 1 1 51 51 LYS HD3 H 1 1.593 0.01 . . . . . . 51 LYS HD2 . 15952 1 621 . 1 1 51 51 LYS HE2 H 1 2.905 0.01 . . . . . . 51 LYS HE1 . 15952 1 622 . 1 1 51 51 LYS HE3 H 1 2.905 0.01 . . . . . . 51 LYS HE2 . 15952 1 623 . 1 1 51 51 LYS HG2 H 1 1.288 0.01 . . . . . . 51 LYS HG2 . 15952 1 624 . 1 1 51 51 LYS HG3 H 1 1.391 0.01 . . . . . . 51 LYS HG3 . 15952 1 625 . 1 1 51 51 LYS C C 13 176.619 0.03 . . . . . . 51 LYS C . 15952 1 626 . 1 1 51 51 LYS CA C 13 57.36 0.03 . . . . . . 51 LYS CA . 15952 1 627 . 1 1 51 51 LYS CB C 13 32.23 0.03 . . . . . . 51 LYS CB . 15952 1 628 . 1 1 51 51 LYS CD C 13 28.62 0.03 . . . . . . 51 LYS CD . 15952 1 629 . 1 1 51 51 LYS CE C 13 41.73 0.03 . . . . . . 51 LYS CE . 15952 1 630 . 1 1 51 51 LYS CG C 13 24.79 0.03 . . . . . . 51 LYS CG . 15952 1 631 . 1 1 51 51 LYS N N 15 117.896 0.04 . . . . . . 51 LYS N . 15952 1 632 . 1 1 52 52 LYS H H 1 7.447 0.01 . . . . . . 52 LYS H . 15952 1 633 . 1 1 52 52 LYS HA H 1 4.259 0.01 . . . . . . 52 LYS HA . 15952 1 634 . 1 1 52 52 LYS HB2 H 1 1.712 0.01 . . . . . . 52 LYS HB2 . 15952 1 635 . 1 1 52 52 LYS HB3 H 1 1.712 0.01 . . . . . . 52 LYS HB3 . 15952 1 636 . 1 1 52 52 LYS HD2 H 1 1.671 0.01 . . . . . . 52 LYS HD1 . 15952 1 637 . 1 1 52 52 LYS HD3 H 1 1.671 0.01 . . . . . . 52 LYS HD2 . 15952 1 638 . 1 1 52 52 LYS HE2 H 1 2.857 0.01 . . . . . . 52 LYS HE1 . 15952 1 639 . 1 1 52 52 LYS HE3 H 1 2.857 0.01 . . . . . . 52 LYS HE2 . 15952 1 640 . 1 1 52 52 LYS HG2 H 1 1.083 0.01 . . . . . . 52 LYS HG2 . 15952 1 641 . 1 1 52 52 LYS HG3 H 1 1.201 0.01 . . . . . . 52 LYS HG3 . 15952 1 642 . 1 1 52 52 LYS C C 13 173.42 0.03 . . . . . . 52 LYS C . 15952 1 643 . 1 1 52 52 LYS CA C 13 54.688 0.03 . . . . . . 52 LYS CA . 15952 1 644 . 1 1 52 52 LYS CB C 13 31.829 0.03 . . . . . . 52 LYS CB . 15952 1 645 . 1 1 52 52 LYS CD C 13 32.03 0.03 . . . . . . 52 LYS CD . 15952 1 646 . 1 1 52 52 LYS CE C 13 41.44 0.03 . . . . . . 52 LYS CE . 15952 1 647 . 1 1 52 52 LYS CG C 13 24.06 0.03 . . . . . . 52 LYS CG . 15952 1 648 . 1 1 52 52 LYS N N 15 120.2 0.04 . . . . . . 52 LYS N . 15952 1 649 . 1 1 53 53 LYS H H 1 7.81 0.01 . . . . . . 53 LYS H . 15952 1 650 . 1 1 53 53 LYS HA H 1 5.004 0.01 . . . . . . 53 LYS HA . 15952 1 651 . 1 1 53 53 LYS HB2 H 1 1.601 0.01 . . . . . . 53 LYS HB2 . 15952 1 652 . 1 1 53 53 LYS HB3 H 1 1.601 0.01 . . . . . . 53 LYS HB3 . 15952 1 653 . 1 1 53 53 LYS HD2 H 1 1.19 0.01 . . . . . . 53 LYS HD1 . 15952 1 654 . 1 1 53 53 LYS HD3 H 1 1.278 0.01 . . . . . . 53 LYS HD2 . 15952 1 655 . 1 1 53 53 LYS HE2 H 1 2.4 0.01 . . . . . . 53 LYS HE1 . 15952 1 656 . 1 1 53 53 LYS HE3 H 1 2.4 0.01 . . . . . . 53 LYS HE2 . 15952 1 657 . 1 1 53 53 LYS HG2 H 1 0.9293 0.01 . . . . . . 53 LYS HG2 . 15952 1 658 . 1 1 53 53 LYS HG3 H 1 1.056 0.01 . . . . . . 53 LYS HG3 . 15952 1 659 . 1 1 53 53 LYS C C 13 174.468 0.03 . . . . . . 53 LYS C . 15952 1 660 . 1 1 53 53 LYS CA C 13 53.698 0.03 . . . . . . 53 LYS CA . 15952 1 661 . 1 1 53 53 LYS CB C 13 41.592 0.03 . . . . . . 53 LYS CB . 15952 1 662 . 1 1 53 53 LYS CD C 13 29.06 0.03 . . . . . . 53 LYS CD . 15952 1 663 . 1 1 53 53 LYS CE C 13 41.0 0.03 . . . . . . 53 LYS CE . 15952 1 664 . 1 1 53 53 LYS CG C 13 23.34 0.03 . . . . . . 53 LYS CG . 15952 1 665 . 1 1 53 53 LYS N N 15 123.119 0.04 . . . . . . 53 LYS N . 15952 1 666 . 1 1 54 54 PHE H H 1 8.49 0.01 . . . . . . 54 PHE H . 15952 1 667 . 1 1 54 54 PHE HA H 1 4.68 0.01 . . . . . . 54 PHE HA . 15952 1 668 . 1 1 54 54 PHE HB2 H 1 1.69 0.01 . . . . . . 54 PHE HB1 . 15952 1 669 . 1 1 54 54 PHE HB3 H 1 2.01 0.01 . . . . . . 54 PHE HB2 . 15952 1 670 . 1 1 54 54 PHE C C 13 173.801 0.03 . . . . . . 54 PHE C . 15952 1 671 . 1 1 54 54 PHE CA C 13 56.583 0.03 . . . . . . 54 PHE CA . 15952 1 672 . 1 1 54 54 PHE CB C 13 42.11 0.03 . . . . . . 54 PHE CB . 15952 1 673 . 1 1 54 54 PHE N N 15 120.2 0.04 . . . . . . 54 PHE N . 15952 1 674 . 1 1 55 55 GLU H H 1 8.309 0.01 . . . . . . 55 GLU H . 15952 1 675 . 1 1 55 55 GLU HA H 1 5.69 0.01 . . . . . . 55 GLU HA . 15952 1 676 . 1 1 55 55 GLU HB2 H 1 1.869 0.01 . . . . . . 55 GLU HB2 . 15952 1 677 . 1 1 55 55 GLU HB3 H 1 2.02 0.01 . . . . . . 55 GLU HB3 . 15952 1 678 . 1 1 55 55 GLU HG2 H 1 2.117 0.01 . . . . . . 55 GLU HG2 . 15952 1 679 . 1 1 55 55 GLU HG3 H 1 2.117 0.01 . . . . . . 55 GLU HG3 . 15952 1 680 . 1 1 55 55 GLU C C 13 176.694 0.03 . . . . . . 55 GLU C . 15952 1 681 . 1 1 55 55 GLU CA C 13 53.537 0.03 . . . . . . 55 GLU CA . 15952 1 682 . 1 1 55 55 GLU CB C 13 33.241 0.03 . . . . . . 55 GLU CB . 15952 1 683 . 1 1 55 55 GLU CG C 13 36.08 0.03 . . . . . . 55 GLU CG . 15952 1 684 . 1 1 55 55 GLU N N 15 117.6 0.04 . . . . . . 55 GLU N . 15952 1 685 . 1 1 56 56 THR H H 1 8.775 0.01 . . . . . . 56 THR H . 15952 1 686 . 1 1 56 56 THR HA H 1 4.838 0.01 . . . . . . 56 THR HA . 15952 1 687 . 1 1 56 56 THR HB H 1 4.938 0.01 . . . . . . 56 THR HB . 15952 1 688 . 1 1 56 56 THR HG21 H 1 0.945 0.01 . . . . . . 56 THR HG2 . 15952 1 689 . 1 1 56 56 THR HG22 H 1 0.945 0.01 . . . . . . 56 THR HG2 . 15952 1 690 . 1 1 56 56 THR HG23 H 1 0.945 0.01 . . . . . . 56 THR HG2 . 15952 1 691 . 1 1 56 56 THR C C 13 174.385 0.03 . . . . . . 56 THR C . 15952 1 692 . 1 1 56 56 THR CA C 13 60.989 0.03 . . . . . . 56 THR CA . 15952 1 693 . 1 1 56 56 THR CB C 13 71.86 0.03 . . . . . . 56 THR CB . 15952 1 694 . 1 1 56 56 THR CG2 C 13 21.02 0.03 . . . . . . 56 THR CG . 15952 1 695 . 1 1 56 56 THR N N 15 111.7 0.04 . . . . . . 56 THR N . 15952 1 696 . 1 1 57 57 LYS H H 1 9.787 0.01 . . . . . . 57 LYS H . 15952 1 697 . 1 1 57 57 LYS HA H 1 4.151 0.01 . . . . . . 57 LYS HA . 15952 1 698 . 1 1 57 57 LYS HB2 H 1 1.742 0.01 . . . . . . 57 LYS HB2 . 15952 1 699 . 1 1 57 57 LYS HB3 H 1 1.7421 0.01 . . . . . . 57 LYS HB3 . 15952 1 700 . 1 1 57 57 LYS HD2 H 1 1.63 0.01 . . . . . . 57 LYS HD1 . 15952 1 701 . 1 1 57 57 LYS HD3 H 1 1.63 0.01 . . . . . . 57 LYS HD2 . 15952 1 702 . 1 1 57 57 LYS HE2 H 1 3.092 0.01 . . . . . . 57 LYS HE1 . 15952 1 703 . 1 1 57 57 LYS HE3 H 1 3.092 0.01 . . . . . . 57 LYS HE2 . 15952 1 704 . 1 1 57 57 LYS HG2 H 1 1.6 0.01 . . . . . . 57 LYS HG2 . 15952 1 705 . 1 1 57 57 LYS HG3 H 1 1.6 0.01 . . . . . . 57 LYS HG3 . 15952 1 706 . 1 1 57 57 LYS C C 13 177.417 0.03 . . . . . . 57 LYS C . 15952 1 707 . 1 1 57 57 LYS CA C 13 56.775 0.03 . . . . . . 57 LYS CA . 15952 1 708 . 1 1 57 57 LYS CB C 13 32.743 0.03 . . . . . . 57 LYS CB . 15952 1 709 . 1 1 57 57 LYS CD C 13 25.08 0.03 . . . . . . 57 LYS CD . 15952 1 710 . 1 1 57 57 LYS CE C 13 42.16 0.03 . . . . . . 57 LYS CE . 15952 1 711 . 1 1 57 57 LYS CG C 13 24.86 0.03 . . . . . . 57 LYS CG . 15952 1 712 . 1 1 57 57 LYS N N 15 119.5 0.04 . . . . . . 57 LYS N . 15952 1 713 . 1 1 58 58 VAL H H 1 8.12 0.01 . . . . . . 58 VAL H . 15952 1 714 . 1 1 58 58 VAL HA H 1 4.284 0.01 . . . . . . 58 VAL HA . 15952 1 715 . 1 1 58 58 VAL HB H 1 1.57 0.01 . . . . . . 58 VAL HB . 15952 1 716 . 1 1 58 58 VAL HG11 H 1 0.5004 0.01 . . . . . . 58 VAL HG1 . 15952 1 717 . 1 1 58 58 VAL HG12 H 1 0.5004 0.01 . . . . . . 58 VAL HG1 . 15952 1 718 . 1 1 58 58 VAL HG13 H 1 0.5004 0.01 . . . . . . 58 VAL HG1 . 15952 1 719 . 1 1 58 58 VAL HG21 H 1 0.2914 0.01 . . . . . . 58 VAL HG2 . 15952 1 720 . 1 1 58 58 VAL HG22 H 1 0.2914 0.01 . . . . . . 58 VAL HG2 . 15952 1 721 . 1 1 58 58 VAL HG23 H 1 0.2914 0.01 . . . . . . 58 VAL HG2 . 15952 1 722 . 1 1 58 58 VAL C C 13 176.85 0.03 . . . . . . 58 VAL C . 15952 1 723 . 1 1 58 58 VAL CA C 13 61.87 0.03 . . . . . . 58 VAL CA . 15952 1 724 . 1 1 58 58 VAL CB C 13 32.081 0.03 . . . . . . 58 VAL CB . 15952 1 725 . 1 1 58 58 VAL CG1 C 13 20.81 0.03 . . . . . . 58 VAL CG1 . 15952 1 726 . 1 1 58 58 VAL CG2 C 13 21.24 0.03 . . . . . . 58 VAL CG2 . 15952 1 727 . 1 1 58 58 VAL N N 15 123.1 0.04 . . . . . . 58 VAL N . 15952 1 728 . 1 1 59 59 HIS H H 1 8.55 0.01 . . . . . . 59 HIS H . 15952 1 729 . 1 1 59 59 HIS HA H 1 4.457 0.01 . . . . . . 59 HIS HA . 15952 1 730 . 1 1 59 59 HIS HB2 H 1 3.168 0.01 . . . . . . 59 HIS HB2 . 15952 1 731 . 1 1 59 59 HIS HB3 H 1 3.095 0.01 . . . . . . 59 HIS HB3 . 15952 1 732 . 1 1 59 59 HIS C C 13 172.101 0.03 . . . . . . 59 HIS C . 15952 1 733 . 1 1 59 59 HIS CA C 13 54.311 0.03 . . . . . . 59 HIS CA . 15952 1 734 . 1 1 59 59 HIS CB C 13 30.426 0.03 . . . . . . 59 HIS CB . 15952 1 735 . 1 1 59 59 HIS N N 15 128.8 0.04 . . . . . . 59 HIS N . 15952 1 736 . 1 1 60 60 ARG H H 1 8.211 0.01 . . . . . . 60 ARG H . 15952 1 737 . 1 1 60 60 ARG HA H 1 4.389 0.01 . . . . . . 60 ARG HA . 15952 1 738 . 1 1 60 60 ARG HB2 H 1 1.693 0.01 . . . . . . 60 ARG HB2 . 15952 1 739 . 1 1 60 60 ARG HB3 H 1 1.693 0.01 . . . . . . 60 ARG HB3 . 15952 1 740 . 1 1 60 60 ARG HD2 H 1 3.006 0.01 . . . . . . 60 ARG HD2 . 15952 1 741 . 1 1 60 60 ARG HD3 H 1 3.006 0.01 . . . . . . 60 ARG HD3 . 15952 1 742 . 1 1 60 60 ARG HG2 H 1 1.413 0.01 . . . . . . 60 ARG HG2 . 15952 1 743 . 1 1 60 60 ARG HG3 H 1 1.603 0.01 . . . . . . 60 ARG HG3 . 15952 1 744 . 1 1 60 60 ARG C C 13 176.252 0.03 . . . . . . 60 ARG C . 15952 1 745 . 1 1 60 60 ARG CA C 13 55.702 0.03 . . . . . . 60 ARG CA . 15952 1 746 . 1 1 60 60 ARG CB C 13 30.713 0.03 . . . . . . 60 ARG CB . 15952 1 747 . 1 1 60 60 ARG CD C 13 42.67 0.03 . . . . . . 60 ARG CD . 15952 1 748 . 1 1 60 60 ARG CG C 13 26.89 0.03 . . . . . . 60 ARG CG . 15952 1 749 . 1 1 60 60 ARG N N 15 118.7 0.04 . . . . . . 60 ARG N . 15952 1 750 . 1 1 61 61 LYS H H 1 9.608 0.01 . . . . . . 61 LYS H . 15952 1 751 . 1 1 61 61 LYS HA H 1 3.946 0.01 . . . . . . 61 LYS HA . 15952 1 752 . 1 1 61 61 LYS HB2 H 1 1.763 0.01 . . . . . . 61 LYS HB2 . 15952 1 753 . 1 1 61 61 LYS HB3 H 1 1.885 0.01 . . . . . . 61 LYS HB3 . 15952 1 754 . 1 1 61 61 LYS HD2 H 1 1.603 0.01 . . . . . . 61 LYS HD1 . 15952 1 755 . 1 1 61 61 LYS HD3 H 1 1.603 0.01 . . . . . . 61 LYS HD2 . 15952 1 756 . 1 1 61 61 LYS HE2 H 1 3.218 0.01 . . . . . . 61 LYS HE1 . 15952 1 757 . 1 1 61 61 LYS HE3 H 1 3.218 0.01 . . . . . . 61 LYS HE2 . 15952 1 758 . 1 1 61 61 LYS HG2 H 1 1.314 0.01 . . . . . . 61 LYS HG2 . 15952 1 759 . 1 1 61 61 LYS HG3 H 1 1.314 0.01 . . . . . . 61 LYS HG3 . 15952 1 760 . 1 1 61 61 LYS C C 13 175.083 0.03 . . . . . . 61 LYS C . 15952 1 761 . 1 1 61 61 LYS CA C 13 55.977 0.03 . . . . . . 61 LYS CA . 15952 1 762 . 1 1 61 61 LYS CB C 13 29.711 0.03 . . . . . . 61 LYS CB . 15952 1 763 . 1 1 61 61 LYS CD C 13 28.62 0.03 . . . . . . 61 LYS CD . 15952 1 764 . 1 1 61 61 LYS CG C 13 25.73 0.03 . . . . . . 61 LYS CG . 15952 1 765 . 1 1 61 61 LYS N N 15 122.5 0.04 . . . . . . 61 LYS N . 15952 1 766 . 1 1 62 62 THR H H 1 8.47 0.01 . . . . . . 62 THR H . 15952 1 767 . 1 1 62 62 THR HA H 1 4.703 0.01 . . . . . . 62 THR HA . 15952 1 768 . 1 1 62 62 THR HB H 1 4.119 0.01 . . . . . . 62 THR HB . 15952 1 769 . 1 1 62 62 THR HG21 H 1 0.833 0.01 . . . . . . 62 THR HG2 . 15952 1 770 . 1 1 62 62 THR HG22 H 1 0.833 0.01 . . . . . . 62 THR HG2 . 15952 1 771 . 1 1 62 62 THR HG23 H 1 0.833 0.01 . . . . . . 62 THR HG2 . 15952 1 772 . 1 1 62 62 THR C C 13 170.12 0.03 . . . . . . 62 THR C . 15952 1 773 . 1 1 62 62 THR CA C 13 59.755 0.03 . . . . . . 62 THR CA . 15952 1 774 . 1 1 62 62 THR CB C 13 63.417 0.03 . . . . . . 62 THR CB . 15952 1 775 . 1 1 62 62 THR CG2 C 13 20.37 0.03 . . . . . . 62 THR CG . 15952 1 776 . 1 1 62 62 THR N N 15 113.4 0.04 . . . . . . 62 THR N . 15952 1 777 . 1 1 63 63 LEU H H 1 8.257 0.01 . . . . . . 63 LEU H . 15952 1 778 . 1 1 63 63 LEU HA H 1 4.483 0.01 . . . . . . 63 LEU HA . 15952 1 779 . 1 1 63 63 LEU HB2 H 1 1.471 0.01 . . . . . . 63 LEU HB2 . 15952 1 780 . 1 1 63 63 LEU HB3 H 1 2.014 0.01 . . . . . . 63 LEU HB3 . 15952 1 781 . 1 1 63 63 LEU HD11 H 1 0.8659 0.01 . . . . . . 63 LEU HD1 . 15952 1 782 . 1 1 63 63 LEU HD12 H 1 0.8659 0.01 . . . . . . 63 LEU HD1 . 15952 1 783 . 1 1 63 63 LEU HD13 H 1 0.8659 0.01 . . . . . . 63 LEU HD1 . 15952 1 784 . 1 1 63 63 LEU HD21 H 1 0.5764 0.01 . . . . . . 63 LEU HD2 . 15952 1 785 . 1 1 63 63 LEU HD22 H 1 0.5764 0.01 . . . . . . 63 LEU HD2 . 15952 1 786 . 1 1 63 63 LEU HD23 H 1 0.5764 0.01 . . . . . . 63 LEU HD2 . 15952 1 787 . 1 1 63 63 LEU HG H 1 1.545 0.01 . . . . . . 63 LEU HG . 15952 1 788 . 1 1 63 63 LEU C C 13 175.135 0.03 . . . . . . 63 LEU C . 15952 1 789 . 1 1 63 63 LEU CA C 13 52.833 0.03 . . . . . . 63 LEU CA . 15952 1 790 . 1 1 63 63 LEU CB C 13 40.311 0.03 . . . . . . 63 LEU CB . 15952 1 791 . 1 1 63 63 LEU CD1 C 13 24.0 0.03 . . . . . . 63 LEU CD1 . 15952 1 792 . 1 1 63 63 LEU CD2 C 13 21.39 0.03 . . . . . . 63 LEU CD2 . 15952 1 793 . 1 1 63 63 LEU CG C 13 26.6 0.03 . . . . . . 63 LEU CG . 15952 1 794 . 1 1 63 63 LEU N N 15 123.1 0.04 . . . . . . 63 LEU N . 15952 1 795 . 1 1 64 64 ASN H H 1 8.306 0.01 . . . . . . 64 ASN H . 15952 1 796 . 1 1 64 64 ASN HA H 1 5.45 0.01 . . . . . . 64 ASN HA . 15952 1 797 . 1 1 64 64 ASN HB2 H 1 2.6 0.01 . . . . . . 64 ASN HB2 . 15952 1 798 . 1 1 64 64 ASN HB3 H 1 2.7 0.01 . . . . . . 64 ASN HB3 . 15952 1 799 . 1 1 64 64 ASN HD21 H 1 7.571 0.01 . . . . . . 64 ASN HD21 . 15952 1 800 . 1 1 64 64 ASN HD22 H 1 7.171 0.01 . . . . . . 64 ASN HD22 . 15952 1 801 . 1 1 64 64 ASN C C 13 171.5 0.03 . . . . . . 64 ASN C . 15952 1 802 . 1 1 64 64 ASN CA C 13 50.61 0.03 . . . . . . 64 ASN CA . 15952 1 803 . 1 1 64 64 ASN CB C 13 40.55 0.03 . . . . . . 64 ASN CB . 15952 1 804 . 1 1 64 64 ASN N N 15 114.829 0.04 . . . . . . 64 ASN N . 15952 1 805 . 1 1 64 64 ASN ND2 N 15 117.1 0.04 . . . . . . 64 ASN ND2 . 15952 1 806 . 1 1 65 65 PRO HA H 1 3.97 0.01 . . . . . . 65 PRO HA . 15952 1 807 . 1 1 65 65 PRO HB2 H 1 1.51 0.01 . . . . . . 65 PRO HB2 . 15952 1 808 . 1 1 65 65 PRO HB3 H 1 1.99 0.01 . . . . . . 65 PRO HB3 . 15952 1 809 . 1 1 65 65 PRO HD2 H 1 3.34 0.01 . . . . . . 65 PRO HD2 . 15952 1 810 . 1 1 65 65 PRO HD3 H 1 3.34 0.01 . . . . . . 65 PRO HD3 . 15952 1 811 . 1 1 65 65 PRO HG2 H 1 1.4 0.01 . . . . . . 65 PRO HG2 . 15952 1 812 . 1 1 65 65 PRO HG3 H 1 1.943 0.01 . . . . . . 65 PRO HG3 . 15952 1 813 . 1 1 65 65 PRO C C 13 173.852 0.03 . . . . . . 65 PRO C . 15952 1 814 . 1 1 65 65 PRO CA C 13 61.914 0.03 . . . . . . 65 PRO CA . 15952 1 815 . 1 1 65 65 PRO CB C 13 30.78 0.03 . . . . . . 65 PRO CB . 15952 1 816 . 1 1 65 65 PRO CD C 13 49.09 0.03 . . . . . . 65 PRO CD . 15952 1 817 . 1 1 65 65 PRO CG C 13 28.84 0.03 . . . . . . 65 PRO CG . 15952 1 818 . 1 1 66 66 VAL H H 1 7.926 0.01 . . . . . . 66 VAL H . 15952 1 819 . 1 1 66 66 VAL HA H 1 3.807 0.01 . . . . . . 66 VAL HA . 15952 1 820 . 1 1 66 66 VAL HB H 1 1.854 0.01 . . . . . . 66 VAL HB . 15952 1 821 . 1 1 66 66 VAL HG11 H 1 0.83 0.01 . . . . . . 66 VAL HG1 . 15952 1 822 . 1 1 66 66 VAL HG12 H 1 0.83 0.01 . . . . . . 66 VAL HG1 . 15952 1 823 . 1 1 66 66 VAL HG13 H 1 0.83 0.01 . . . . . . 66 VAL HG1 . 15952 1 824 . 1 1 66 66 VAL HG21 H 1 0.73 0.01 . . . . . . 66 VAL HG2 . 15952 1 825 . 1 1 66 66 VAL HG22 H 1 0.73 0.01 . . . . . . 66 VAL HG2 . 15952 1 826 . 1 1 66 66 VAL HG23 H 1 0.73 0.01 . . . . . . 66 VAL HG2 . 15952 1 827 . 1 1 66 66 VAL C C 13 175.152 0.03 . . . . . . 66 VAL C . 15952 1 828 . 1 1 66 66 VAL CA C 13 61.782 0.03 . . . . . . 66 VAL CA . 15952 1 829 . 1 1 66 66 VAL CB C 13 32.721 0.03 . . . . . . 66 VAL CB . 15952 1 830 . 1 1 66 66 VAL CG1 C 13 20.09 0.03 . . . . . . 66 VAL CG1 . 15952 1 831 . 1 1 66 66 VAL CG2 C 13 20.88 0.03 . . . . . . 66 VAL CG2 . 15952 1 832 . 1 1 66 66 VAL N N 15 121.0 0.04 . . . . . . 66 VAL N . 15952 1 833 . 1 1 67 67 PHE H H 1 8.15 0.01 . . . . . . 67 PHE H . 15952 1 834 . 1 1 67 67 PHE HA H 1 4.378 0.01 . . . . . . 67 PHE HA . 15952 1 835 . 1 1 67 67 PHE HB2 H 1 2.735 0.01 . . . . . . 67 PHE HB1 . 15952 1 836 . 1 1 67 67 PHE HB3 H 1 3.006 0.01 . . . . . . 67 PHE HB2 . 15952 1 837 . 1 1 67 67 PHE C C 13 175.748 0.03 . . . . . . 67 PHE C . 15952 1 838 . 1 1 67 67 PHE CA C 13 59.262 0.03 . . . . . . 67 PHE CA . 15952 1 839 . 1 1 67 67 PHE CB C 13 39.849 0.03 . . . . . . 67 PHE CB . 15952 1 840 . 1 1 67 67 PHE N N 15 123.4 0.04 . . . . . . 67 PHE N . 15952 1 841 . 1 1 68 68 ASN H H 1 8.92 0.01 . . . . . . 68 ASN H . 15952 1 842 . 1 1 68 68 ASN HA H 1 4.35 0.01 . . . . . . 68 ASN HA . 15952 1 843 . 1 1 68 68 ASN HB2 H 1 2.634 0.01 . . . . . . 68 ASN HB2 . 15952 1 844 . 1 1 68 68 ASN HB3 H 1 2.954 0.01 . . . . . . 68 ASN HB3 . 15952 1 845 . 1 1 68 68 ASN HD21 H 1 7.446 0.01 . . . . . . 68 ASN HD21 . 15952 1 846 . 1 1 68 68 ASN HD22 H 1 6.511 0.01 . . . . . . 68 ASN HD22 . 15952 1 847 . 1 1 68 68 ASN C C 13 173.314 0.03 . . . . . . 68 ASN C . 15952 1 848 . 1 1 68 68 ASN CA C 13 53.983 0.03 . . . . . . 68 ASN CA . 15952 1 849 . 1 1 68 68 ASN CB C 13 37.351 0.03 . . . . . . 68 ASN CB . 15952 1 850 . 1 1 68 68 ASN N N 15 117.5 0.04 . . . . . . 68 ASN N . 15952 1 851 . 1 1 68 68 ASN ND2 N 15 111.9 0.04 . . . . . . 68 ASN ND2 . 15952 1 852 . 1 1 69 69 GLU H H 1 7.931 0.01 . . . . . . 69 GLU H . 15952 1 853 . 1 1 69 69 GLU HA H 1 4.638 0.01 . . . . . . 69 GLU HA . 15952 1 854 . 1 1 69 69 GLU HB2 H 1 1.6 0.01 . . . . . . 69 GLU HB2 . 15952 1 855 . 1 1 69 69 GLU HB3 H 1 1.6 0.01 . . . . . . 69 GLU HB3 . 15952 1 856 . 1 1 69 69 GLU HG2 H 1 2.09 0.01 . . . . . . 69 GLU HG2 . 15952 1 857 . 1 1 69 69 GLU HG3 H 1 2.264 0.01 . . . . . . 69 GLU HG3 . 15952 1 858 . 1 1 69 69 GLU C C 13 174.165 0.03 . . . . . . 69 GLU C . 15952 1 859 . 1 1 69 69 GLU CA C 13 55.742 0.03 . . . . . . 69 GLU CA . 15952 1 860 . 1 1 69 69 GLU CB C 13 34.663 0.03 . . . . . . 69 GLU CB . 15952 1 861 . 1 1 69 69 GLU CG C 13 37.55 0.03 . . . . . . 69 GLU CG . 15952 1 862 . 1 1 69 69 GLU N N 15 116.0 0.04 . . . . . . 69 GLU N . 15952 1 863 . 1 1 70 70 GLN H H 1 8.174 0.01 . . . . . . 70 GLN H . 15952 1 864 . 1 1 70 70 GLN HA H 1 4.985 0.01 . . . . . . 70 GLN HA . 15952 1 865 . 1 1 70 70 GLN HB2 H 1 1.642 0.01 . . . . . . 70 GLN HB2 . 15952 1 866 . 1 1 70 70 GLN HB3 H 1 1.727 0.01 . . . . . . 70 GLN HB3 . 15952 1 867 . 1 1 70 70 GLN HE21 H 1 7.24 0.01 . . . . . . 70 GLN HE21 . 15952 1 868 . 1 1 70 70 GLN HE22 H 1 6.589 0.01 . . . . . . 70 GLN HE22 . 15952 1 869 . 1 1 70 70 GLN HG2 H 1 1.78 0.01 . . . . . . 70 GLN HG2 . 15952 1 870 . 1 1 70 70 GLN HG3 H 1 1.78 0.01 . . . . . . 70 GLN HG3 . 15952 1 871 . 1 1 70 70 GLN C C 13 173.068 0.03 . . . . . . 70 GLN C . 15952 1 872 . 1 1 70 70 GLN CA C 13 53.807 0.03 . . . . . . 70 GLN CA . 15952 1 873 . 1 1 70 70 GLN CB C 13 31.75 0.03 . . . . . . 70 GLN CB . 15952 1 874 . 1 1 70 70 GLN CG C 13 33.99 0.03 . . . . . . 70 GLN CG . 15952 1 875 . 1 1 70 70 GLN N N 15 121.5 0.04 . . . . . . 70 GLN N . 15952 1 876 . 1 1 70 70 GLN NE2 N 15 112.0 0.04 . . . . . . 70 GLN NE2 . 15952 1 877 . 1 1 71 71 PHE H H 1 9.04 0.01 . . . . . . 71 PHE H . 15952 1 878 . 1 1 71 71 PHE HA H 1 4.528 0.01 . . . . . . 71 PHE HA . 15952 1 879 . 1 1 71 71 PHE HB2 H 1 2.043 0.01 . . . . . . 71 PHE HB1 . 15952 1 880 . 1 1 71 71 PHE HB3 H 1 2.043 0.01 . . . . . . 71 PHE HB2 . 15952 1 881 . 1 1 71 71 PHE C C 13 173.57 0.03 . . . . . . 71 PHE C . 15952 1 882 . 1 1 71 71 PHE CA C 13 55.249 0.03 . . . . . . 71 PHE CA . 15952 1 883 . 1 1 71 71 PHE CB C 13 42.133 0.03 . . . . . . 71 PHE CB . 15952 1 884 . 1 1 71 71 PHE N N 15 124.3 0.04 . . . . . . 71 PHE N . 15952 1 885 . 1 1 72 72 THR H H 1 7.763 0.01 . . . . . . 72 THR H . 15952 1 886 . 1 1 72 72 THR HA H 1 5.212 0.01 . . . . . . 72 THR HA . 15952 1 887 . 1 1 72 72 THR HB H 1 3.658 0.01 . . . . . . 72 THR HB . 15952 1 888 . 1 1 72 72 THR HG21 H 1 0.8112 0.01 . . . . . . 72 THR HG2 . 15952 1 889 . 1 1 72 72 THR HG22 H 1 0.8112 0.01 . . . . . . 72 THR HG2 . 15952 1 890 . 1 1 72 72 THR HG23 H 1 0.8112 0.01 . . . . . . 72 THR HG2 . 15952 1 891 . 1 1 72 72 THR C C 13 172.834 0.03 . . . . . . 72 THR C . 15952 1 892 . 1 1 72 72 THR CA C 13 59.491 0.03 . . . . . . 72 THR CA . 15952 1 893 . 1 1 72 72 THR CB C 13 70.623 0.03 . . . . . . 72 THR CB . 15952 1 894 . 1 1 72 72 THR CG2 C 13 21.53 0.03 . . . . . . 72 THR CG . 15952 1 895 . 1 1 72 72 THR N N 15 114.0 0.04 . . . . . . 72 THR N . 15952 1 896 . 1 1 73 73 PHE H H 1 8.983 0.01 . . . . . . 73 PHE H . 15952 1 897 . 1 1 73 73 PHE HA H 1 4.75 0.01 . . . . . . 73 PHE HA . 15952 1 898 . 1 1 73 73 PHE HB2 H 1 2.6 0.01 . . . . . . 73 PHE HB1 . 15952 1 899 . 1 1 73 73 PHE HB3 H 1 2.986 0.01 . . . . . . 73 PHE HB2 . 15952 1 900 . 1 1 73 73 PHE C C 13 174.89 0.03 . . . . . . 73 PHE C . 15952 1 901 . 1 1 73 73 PHE CA C 13 56.071 0.03 . . . . . . 73 PHE CA . 15952 1 902 . 1 1 73 73 PHE CB C 13 41.57 0.03 . . . . . . 73 PHE CB . 15952 1 903 . 1 1 73 73 PHE N N 15 120.9 0.04 . . . . . . 73 PHE N . 15952 1 904 . 1 1 74 74 LYS H H 1 9.063 0.01 . . . . . . 74 LYS H . 15952 1 905 . 1 1 74 74 LYS HA H 1 4.69 0.01 . . . . . . 74 LYS HA . 15952 1 906 . 1 1 74 74 LYS HB2 H 1 1.886 0.01 . . . . . . 74 LYS HB2 . 15952 1 907 . 1 1 74 74 LYS HB3 H 1 1.925 0.01 . . . . . . 74 LYS HB3 . 15952 1 908 . 1 1 74 74 LYS HD2 H 1 1.784 0.01 . . . . . . 74 LYS HD1 . 15952 1 909 . 1 1 74 74 LYS HD3 H 1 1.784 0.01 . . . . . . 74 LYS HD2 . 15952 1 910 . 1 1 74 74 LYS HE2 H 1 2.915 0.01 . . . . . . 74 LYS HE1 . 15952 1 911 . 1 1 74 74 LYS HE3 H 1 2.915 0.01 . . . . . . 74 LYS HE2 . 15952 1 912 . 1 1 74 74 LYS HG2 H 1 1.359 0.01 . . . . . . 74 LYS HG2 . 15952 1 913 . 1 1 74 74 LYS HG3 H 1 1.404 0.01 . . . . . . 74 LYS HG3 . 15952 1 914 . 1 1 74 74 LYS C C 13 174.575 0.03 . . . . . . 74 LYS C . 15952 1 915 . 1 1 74 74 LYS CA C 13 56.186 0.03 . . . . . . 74 LYS CA . 15952 1 916 . 1 1 74 74 LYS CB C 13 30.577 0.03 . . . . . . 74 LYS CB . 15952 1 917 . 1 1 74 74 LYS CD C 13 30.58 0.03 . . . . . . 74 LYS CD . 15952 1 918 . 1 1 74 74 LYS CE C 13 41.8 0.03 . . . . . . 74 LYS CE . 15952 1 919 . 1 1 74 74 LYS CG C 13 24.57 0.03 . . . . . . 74 LYS CG . 15952 1 920 . 1 1 74 74 LYS N N 15 127.5 0.04 . . . . . . 74 LYS N . 15952 1 921 . 1 1 75 75 VAL H H 1 7.546 0.01 . . . . . . 75 VAL H . 15952 1 922 . 1 1 75 75 VAL HA H 1 4.65 0.01 . . . . . . 75 VAL HA . 15952 1 923 . 1 1 75 75 VAL HB H 1 2.04 0.01 . . . . . . 75 VAL HB . 15952 1 924 . 1 1 75 75 VAL HG11 H 1 0.84 0.01 . . . . . . 75 VAL HG1 . 15952 1 925 . 1 1 75 75 VAL HG12 H 1 0.84 0.01 . . . . . . 75 VAL HG1 . 15952 1 926 . 1 1 75 75 VAL HG13 H 1 0.84 0.01 . . . . . . 75 VAL HG1 . 15952 1 927 . 1 1 75 75 VAL HG21 H 1 0.84 0.01 . . . . . . 75 VAL HG2 . 15952 1 928 . 1 1 75 75 VAL HG22 H 1 0.84 0.01 . . . . . . 75 VAL HG2 . 15952 1 929 . 1 1 75 75 VAL HG23 H 1 0.84 0.01 . . . . . . 75 VAL HG2 . 15952 1 930 . 1 1 75 75 VAL C C 13 171.5 0.03 . . . . . . 75 VAL C . 15952 1 931 . 1 1 75 75 VAL CA C 13 57.737 0.03 . . . . . . 75 VAL CA . 15952 1 932 . 1 1 75 75 VAL CB C 13 35.16 0.03 . . . . . . 75 VAL CB . 15952 1 933 . 1 1 75 75 VAL CG1 C 13 20.2 0.03 . . . . . . 75 VAL CG1 . 15952 1 934 . 1 1 75 75 VAL CG2 C 13 19.7 0.03 . . . . . . 75 VAL CG2 . 15952 1 935 . 1 1 75 75 VAL N N 15 126.6 0.04 . . . . . . 75 VAL N . 15952 1 936 . 1 1 76 76 PRO HA H 1 4.329 0.01 . . . . . . 76 PRO HA . 15952 1 937 . 1 1 76 76 PRO HB2 H 1 1.744 0.01 . . . . . . 76 PRO HB2 . 15952 1 938 . 1 1 76 76 PRO HB3 H 1 2.445 0.01 . . . . . . 76 PRO HB3 . 15952 1 939 . 1 1 76 76 PRO HD2 H 1 3.55 0.01 . . . . . . 76 PRO HD2 . 15952 1 940 . 1 1 76 76 PRO HD3 H 1 3.86 0.01 . . . . . . 76 PRO HD3 . 15952 1 941 . 1 1 76 76 PRO HG2 H 1 1.98 0.01 . . . . . . 76 PRO HG2 . 15952 1 942 . 1 1 76 76 PRO HG3 H 1 2.03 0.01 . . . . . . 76 PRO HG3 . 15952 1 943 . 1 1 76 76 PRO C C 13 176.991 0.03 . . . . . . 76 PRO C . 15952 1 944 . 1 1 76 76 PRO CA C 13 62.476 0.03 . . . . . . 76 PRO CA . 15952 1 945 . 1 1 76 76 PRO CB C 13 32.143 0.03 . . . . . . 76 PRO CB . 15952 1 946 . 1 1 76 76 PRO CD C 13 51.66 0.03 . . . . . . 76 PRO CD . 15952 1 947 . 1 1 76 76 PRO CG C 13 27.36 0.03 . . . . . . 76 PRO CG . 15952 1 948 . 1 1 77 77 TYR H H 1 8.626 0.01 . . . . . . 77 TYR H . 15952 1 949 . 1 1 77 77 TYR HA H 1 3.403 0.01 . . . . . . 77 TYR HA . 15952 1 950 . 1 1 77 77 TYR HB3 H 1 2.781 0.01 . . . . . . 77 TYR HB3 . 15952 1 951 . 1 1 77 77 TYR HE1 H 1 6.19 0.01 . . . . . . 77 TYR HE1 . 15952 1 952 . 1 1 77 77 TYR HE2 H 1 6.52 0.01 . . . . . . 77 TYR HE2 . 15952 1 953 . 1 1 77 77 TYR C C 13 177.516 0.03 . . . . . . 77 TYR C . 15952 1 954 . 1 1 77 77 TYR CA C 13 61.772 0.03 . . . . . . 77 TYR CA . 15952 1 955 . 1 1 77 77 TYR CB C 13 37.898 0.03 . . . . . . 77 TYR CB . 15952 1 956 . 1 1 77 77 TYR N N 15 128.5 0.04 . . . . . . 77 TYR N . 15952 1 957 . 1 1 78 78 SER H H 1 8.509 0.01 . . . . . . 78 SER H . 15952 1 958 . 1 1 78 78 SER HA H 1 3.94 0.01 . . . . . . 78 SER HA . 15952 1 959 . 1 1 78 78 SER HB2 H 1 3.891 0.01 . . . . . . 78 SER HB2 . 15952 1 960 . 1 1 78 78 SER HB3 H 1 3.891 0.01 . . . . . . 78 SER HB3 . 15952 1 961 . 1 1 78 78 SER C C 13 175.292 0.03 . . . . . . 78 SER C . 15952 1 962 . 1 1 78 78 SER CA C 13 60.064 0.03 . . . . . . 78 SER CA . 15952 1 963 . 1 1 78 78 SER CB C 13 62.022 0.03 . . . . . . 78 SER CB . 15952 1 964 . 1 1 78 78 SER N N 15 110.6 0.04 . . . . . . 78 SER N . 15952 1 965 . 1 1 79 79 GLU H H 1 7.411 0.01 . . . . . . 79 GLU H . 15952 1 966 . 1 1 79 79 GLU HA H 1 4.28 0.01 . . . . . . 79 GLU HA . 15952 1 967 . 1 1 79 79 GLU HB2 H 1 1.69 0.01 . . . . . . 79 GLU HB2 . 15952 1 968 . 1 1 79 79 GLU HB3 H 1 2.102 0.01 . . . . . . 79 GLU HB3 . 15952 1 969 . 1 1 79 79 GLU HG2 H 1 2.106 0.01 . . . . . . 79 GLU HG2 . 15952 1 970 . 1 1 79 79 GLU HG3 H 1 2.106 0.01 . . . . . . 79 GLU HG3 . 15952 1 971 . 1 1 79 79 GLU C C 13 177.218 0.03 . . . . . . 79 GLU C . 15952 1 972 . 1 1 79 79 GLU CA C 13 55.273 0.03 . . . . . . 79 GLU CA . 15952 1 973 . 1 1 79 79 GLU CB C 13 30.302 0.03 . . . . . . 79 GLU CB . 15952 1 974 . 1 1 79 79 GLU CG C 13 35.86 0.03 . . . . . . 79 GLU CG . 15952 1 975 . 1 1 79 79 GLU N N 15 119.0 0.04 . . . . . . 79 GLU N . 15952 1 976 . 1 1 80 80 LEU H H 1 7.311 0.01 . . . . . . 80 LEU H . 15952 1 977 . 1 1 80 80 LEU HA H 1 3.643 0.01 . . . . . . 80 LEU HA . 15952 1 978 . 1 1 80 80 LEU HB2 H 1 1.179 0.01 . . . . . . 80 LEU HB2 . 15952 1 979 . 1 1 80 80 LEU HB3 H 1 1.283 0.01 . . . . . . 80 LEU HB3 . 15952 1 980 . 1 1 80 80 LEU HD11 H 1 0.5538 0.01 . . . . . . 80 LEU HD1 . 15952 1 981 . 1 1 80 80 LEU HD12 H 1 0.5538 0.01 . . . . . . 80 LEU HD1 . 15952 1 982 . 1 1 80 80 LEU HD13 H 1 0.5538 0.01 . . . . . . 80 LEU HD1 . 15952 1 983 . 1 1 80 80 LEU HD21 H 1 0.4271 0.01 . . . . . . 80 LEU HD2 . 15952 1 984 . 1 1 80 80 LEU HD22 H 1 0.4271 0.01 . . . . . . 80 LEU HD2 . 15952 1 985 . 1 1 80 80 LEU HD23 H 1 0.4271 0.01 . . . . . . 80 LEU HD2 . 15952 1 986 . 1 1 80 80 LEU HG H 1 1.314 0.01 . . . . . . 80 LEU HG . 15952 1 987 . 1 1 80 80 LEU C C 13 177.098 0.03 . . . . . . 80 LEU C . 15952 1 988 . 1 1 80 80 LEU CA C 13 57.376 0.03 . . . . . . 80 LEU CA . 15952 1 989 . 1 1 80 80 LEU CB C 13 41.916 0.03 . . . . . . 80 LEU CB . 15952 1 990 . 1 1 80 80 LEU CD1 C 13 24.14 0.03 . . . . . . 80 LEU CD1 . 15952 1 991 . 1 1 80 80 LEU CD2 C 13 25.44 0.03 . . . . . . 80 LEU CD2 . 15952 1 992 . 1 1 80 80 LEU CG C 13 26.23 0.03 . . . . . . 80 LEU CG . 15952 1 993 . 1 1 80 80 LEU N N 15 121.6 0.04 . . . . . . 80 LEU N . 15952 1 994 . 1 1 81 81 GLY H H 1 7.86 0.01 . . . . . . 81 GLY NH . 15952 1 995 . 1 1 81 81 GLY HA2 H 1 3.434 0.01 . . . . . . 81 GLY HA1 . 15952 1 996 . 1 1 81 81 GLY HA3 H 1 3.744 0.01 . . . . . . 81 GLY HA2 . 15952 1 997 . 1 1 81 81 GLY C C 13 174.24 0.03 . . . . . . 81 GLY C . 15952 1 998 . 1 1 81 81 GLY CA C 13 46.638 0.03 . . . . . . 81 GLY CA . 15952 1 999 . 1 1 81 81 GLY N N 15 102.9 0.04 . . . . . . 81 GLY N . 15952 1 1000 . 1 1 82 82 GLY H H 1 7.396 0.01 . . . . . . 82 GLY NH . 15952 1 1001 . 1 1 82 82 GLY HA2 H 1 3.76 0.01 . . . . . . 82 GLY HA1 . 15952 1 1002 . 1 1 82 82 GLY HA3 H 1 4.267 0.01 . . . . . . 82 GLY HA2 . 15952 1 1003 . 1 1 82 82 GLY C C 13 174.591 0.03 . . . . . . 82 GLY C . 15952 1 1004 . 1 1 82 82 GLY CA C 13 44.289 0.03 . . . . . . 82 GLY CA . 15952 1 1005 . 1 1 82 82 GLY N N 15 105.9 0.04 . . . . . . 82 GLY N . 15952 1 1006 . 1 1 83 83 LYS H H 1 7.888 0.01 . . . . . . 83 LYS H . 15952 1 1007 . 1 1 83 83 LYS HA H 1 4.366 0.01 . . . . . . 83 LYS HA . 15952 1 1008 . 1 1 83 83 LYS HB2 H 1 1.744 0.01 . . . . . . 83 LYS HB2 . 15952 1 1009 . 1 1 83 83 LYS HB3 H 1 1.717 0.01 . . . . . . 83 LYS HB3 . 15952 1 1010 . 1 1 83 83 LYS HD2 H 1 1.477 0.01 . . . . . . 83 LYS HD2 . 15952 1 1011 . 1 1 83 83 LYS HD3 H 1 1.694 0.01 . . . . . . 83 LYS HD3 . 15952 1 1012 . 1 1 83 83 LYS HG2 H 1 1.273 0.01 . . . . . . 83 LYS HG2 . 15952 1 1013 . 1 1 83 83 LYS HG3 H 1 1.273 0.01 . . . . . . 83 LYS HG3 . 15952 1 1014 . 1 1 83 83 LYS C C 13 176.518 0.03 . . . . . . 83 LYS C . 15952 1 1015 . 1 1 83 83 LYS CA C 13 53.818 0.03 . . . . . . 83 LYS CA . 15952 1 1016 . 1 1 83 83 LYS CB C 13 33.814 0.03 . . . . . . 83 LYS CB . 15952 1 1017 . 1 1 83 83 LYS CD C 13 28.7 0.03 . . . . . . 83 LYS CD . 15952 1 1018 . 1 1 83 83 LYS CE C 13 42.74 0.03 . . . . . . 83 LYS CE . 15952 1 1019 . 1 1 83 83 LYS CG C 13 25.58 0.03 . . . . . . 83 LYS CG . 15952 1 1020 . 1 1 83 83 LYS N N 15 119.0 0.04 . . . . . . 83 LYS N . 15952 1 1021 . 1 1 84 84 THR H H 1 8.248 0.01 . . . . . . 84 THR H . 15952 1 1022 . 1 1 84 84 THR HA H 1 4.638 0.01 . . . . . . 84 THR HA . 15952 1 1023 . 1 1 84 84 THR HB H 1 3.744 0.01 . . . . . . 84 THR HB . 15952 1 1024 . 1 1 84 84 THR HG21 H 1 0.7483 0.01 . . . . . . 84 THR HG2 . 15952 1 1025 . 1 1 84 84 THR HG22 H 1 0.7483 0.01 . . . . . . 84 THR HG2 . 15952 1 1026 . 1 1 84 84 THR HG23 H 1 0.7483 0.01 . . . . . . 84 THR HG2 . 15952 1 1027 . 1 1 84 84 THR C C 13 171.75 0.03 . . . . . . 84 THR C . 15952 1 1028 . 1 1 84 84 THR CA C 13 61.914 0.03 . . . . . . 84 THR CA . 15952 1 1029 . 1 1 84 84 THR CB C 13 71.34 0.03 . . . . . . 84 THR CB . 15952 1 1030 . 1 1 84 84 THR CG2 C 13 20.73 0.03 . . . . . . 84 THR CG . 15952 1 1031 . 1 1 84 84 THR N N 15 118.5 0.04 . . . . . . 84 THR N . 15952 1 1032 . 1 1 85 85 LEU H H 1 8.43 0.01 . . . . . . 85 LEU H . 15952 1 1033 . 1 1 85 85 LEU HA H 1 4.417 0.01 . . . . . . 85 LEU HA . 15952 1 1034 . 1 1 85 85 LEU HB2 H 1 1.259 0.01 . . . . . . 85 LEU HB2 . 15952 1 1035 . 1 1 85 85 LEU HB3 H 1 1.722 0.01 . . . . . . 85 LEU HB3 . 15952 1 1036 . 1 1 85 85 LEU HD11 H 1 0.669 0.01 . . . . . . 85 LEU HD1 . 15952 1 1037 . 1 1 85 85 LEU HD12 H 1 0.669 0.01 . . . . . . 85 LEU HD1 . 15952 1 1038 . 1 1 85 85 LEU HD13 H 1 0.669 0.01 . . . . . . 85 LEU HD1 . 15952 1 1039 . 1 1 85 85 LEU HD21 H 1 0.5402 0.01 . . . . . . 85 LEU HD2 . 15952 1 1040 . 1 1 85 85 LEU HD22 H 1 0.5402 0.01 . . . . . . 85 LEU HD2 . 15952 1 1041 . 1 1 85 85 LEU HD23 H 1 0.5402 0.01 . . . . . . 85 LEU HD2 . 15952 1 1042 . 1 1 85 85 LEU HG H 1 1.18 0.01 . . . . . . 85 LEU HG . 15952 1 1043 . 1 1 85 85 LEU C C 13 173.417 0.03 . . . . . . 85 LEU C . 15952 1 1044 . 1 1 85 85 LEU CA C 13 53.982 0.03 . . . . . . 85 LEU CA . 15952 1 1045 . 1 1 85 85 LEU CB C 13 43.826 0.03 . . . . . . 85 LEU CB . 15952 1 1046 . 1 1 85 85 LEU CD1 C 13 27.61 0.03 . . . . . . 85 LEU CD1 . 15952 1 1047 . 1 1 85 85 LEU CD2 C 13 23.7 0.03 . . . . . . 85 LEU CD2 . 15952 1 1048 . 1 1 85 85 LEU CG C 13 26.6 0.03 . . . . . . 85 LEU CG . 15952 1 1049 . 1 1 85 85 LEU N N 15 130.5 0.04 . . . . . . 85 LEU N . 15952 1 1050 . 1 1 86 86 VAL H H 1 8.771 0.01 . . . . . . 86 VAL H . 15952 1 1051 . 1 1 86 86 VAL HA H 1 4.151 0.01 . . . . . . 86 VAL HA . 15952 1 1052 . 1 1 86 86 VAL HG11 H 1 0.418 0.01 . . . . . . 86 VAL HG1 . 15952 1 1053 . 1 1 86 86 VAL HG12 H 1 0.418 0.01 . . . . . . 86 VAL HG1 . 15952 1 1054 . 1 1 86 86 VAL HG13 H 1 0.418 0.01 . . . . . . 86 VAL HG1 . 15952 1 1055 . 1 1 86 86 VAL HG21 H 1 0.3728 0.01 . . . . . . 86 VAL HG2 . 15952 1 1056 . 1 1 86 86 VAL HG22 H 1 0.3728 0.01 . . . . . . 86 VAL HG2 . 15952 1 1057 . 1 1 86 86 VAL HG23 H 1 0.3728 0.01 . . . . . . 86 VAL HG2 . 15952 1 1058 . 1 1 86 86 VAL C C 13 173.599 0.03 . . . . . . 86 VAL C . 15952 1 1059 . 1 1 86 86 VAL CA C 13 61.206 0.03 . . . . . . 86 VAL CA . 15952 1 1060 . 1 1 86 86 VAL CB C 13 31.856 0.03 . . . . . . 86 VAL CB . 15952 1 1061 . 1 1 86 86 VAL CG1 C 13 21.0 0.03 . . . . . . 86 VAL CG1 . 15952 1 1062 . 1 1 86 86 VAL CG2 C 13 21.0 0.03 . . . . . . 86 VAL CG2 . 15952 1 1063 . 1 1 86 86 VAL N N 15 127.723 0.04 . . . . . . 86 VAL N . 15952 1 1064 . 1 1 87 87 MET H H 1 7.503 0.01 . . . . . . 87 MET H . 15952 1 1065 . 1 1 87 87 MET HA H 1 4.706 0.01 . . . . . . 87 MET HA . 15952 1 1066 . 1 1 87 87 MET HB2 H 1 1.058 0.01 . . . . . . 87 MET HB2 . 15952 1 1067 . 1 1 87 87 MET HB3 H 1 1.058 0.01 . . . . . . 87 MET HB3 . 15952 1 1068 . 1 1 87 87 MET HG2 H 1 1.766 0.01 . . . . . . 87 MET HG2 . 15952 1 1069 . 1 1 87 87 MET HG3 H 1 2.02 0.01 . . . . . . 87 MET HG3 . 15952 1 1070 . 1 1 87 87 MET C C 13 172.749 0.03 . . . . . . 87 MET C . 15952 1 1071 . 1 1 87 87 MET CA C 13 53.654 0.03 . . . . . . 87 MET CA . 15952 1 1072 . 1 1 87 87 MET CB C 13 31.288 0.03 . . . . . . 87 MET CB . 15952 1 1073 . 1 1 87 87 MET CG C 13 33.69 0.03 . . . . . . 87 MET CG . 15952 1 1074 . 1 1 87 87 MET N N 15 122.6 0.04 . . . . . . 87 MET N . 15952 1 1075 . 1 1 88 88 ALA H H 1 8.755 0.01 . . . . . . 88 ALA H . 15952 1 1076 . 1 1 88 88 ALA HA H 1 4.948 0.01 . . . . . . 88 ALA HA . 15952 1 1077 . 1 1 88 88 ALA HB1 H 1 1.372 0.01 . . . . . . 88 ALA HB . 15952 1 1078 . 1 1 88 88 ALA HB2 H 1 1.372 0.01 . . . . . . 88 ALA HB . 15952 1 1079 . 1 1 88 88 ALA HB3 H 1 1.372 0.01 . . . . . . 88 ALA HB . 15952 1 1080 . 1 1 88 88 ALA C C 13 174.558 0.03 . . . . . . 88 ALA C . 15952 1 1081 . 1 1 88 88 ALA CA C 13 50.017 0.03 . . . . . . 88 ALA CA . 15952 1 1082 . 1 1 88 88 ALA CB C 13 23.107 0.03 . . . . . . 88 ALA CB . 15952 1 1083 . 1 1 88 88 ALA N N 15 124.2 0.04 . . . . . . 88 ALA N . 15952 1 1084 . 1 1 89 89 VAL H H 1 8.813 0.01 . . . . . . 89 VAL H . 15952 1 1085 . 1 1 89 89 VAL HA H 1 4.652 0.01 . . . . . . 89 VAL HA . 15952 1 1086 . 1 1 89 89 VAL HB H 1 1.873 0.01 . . . . . . 89 VAL HB . 15952 1 1087 . 1 1 89 89 VAL HG11 H 1 0.9383 0.01 . . . . . . 89 VAL HG1 . 15952 1 1088 . 1 1 89 89 VAL HG12 H 1 0.9383 0.01 . . . . . . 89 VAL HG1 . 15952 1 1089 . 1 1 89 89 VAL HG13 H 1 0.9383 0.01 . . . . . . 89 VAL HG1 . 15952 1 1090 . 1 1 89 89 VAL HG21 H 1 0.8523 0.01 . . . . . . 89 VAL HG2 . 15952 1 1091 . 1 1 89 89 VAL HG22 H 1 0.8523 0.01 . . . . . . 89 VAL HG2 . 15952 1 1092 . 1 1 89 89 VAL HG23 H 1 0.8523 0.01 . . . . . . 89 VAL HG2 . 15952 1 1093 . 1 1 89 89 VAL C C 13 173.707 0.03 . . . . . . 89 VAL C . 15952 1 1094 . 1 1 89 89 VAL CA C 13 60.881 0.03 . . . . . . 89 VAL CA . 15952 1 1095 . 1 1 89 89 VAL CB C 13 31.541 0.03 . . . . . . 89 VAL CB . 15952 1 1096 . 1 1 89 89 VAL CG1 C 13 21.46 0.03 . . . . . . 89 VAL CG1 . 15952 1 1097 . 1 1 89 89 VAL CG2 C 13 22.8 0.03 . . . . . . 89 VAL CG2 . 15952 1 1098 . 1 1 89 89 VAL N N 15 122.9 0.04 . . . . . . 89 VAL N . 15952 1 1099 . 1 1 90 90 TYR H H 1 9.067 0.01 . . . . . . 90 TYR H . 15952 1 1100 . 1 1 90 90 TYR HA H 1 4.766 0.01 . . . . . . 90 TYR HA . 15952 1 1101 . 1 1 90 90 TYR HB3 H 1 2.419 0.01 . . . . . . 90 TYR HB3 . 15952 1 1102 . 1 1 90 90 TYR HE1 H 1 6.77 0.01 . . . . . . 90 TYR HE1 . 15952 1 1103 . 1 1 90 90 TYR HE2 H 1 6.64 0.01 . . . . . . 90 TYR HE2 . 15952 1 1104 . 1 1 90 90 TYR C C 13 173.024 0.03 . . . . . . 90 TYR C . 15952 1 1105 . 1 1 90 90 TYR CA C 13 56.23 0.03 . . . . . . 90 TYR CA . 15952 1 1106 . 1 1 90 90 TYR CB C 13 43.211 0.03 . . . . . . 90 TYR CB . 15952 1 1107 . 1 1 90 90 TYR N N 15 128.4 0.04 . . . . . . 90 TYR N . 15952 1 1108 . 1 1 91 91 ASP H H 1 8.7 0.01 . . . . . . 91 ASP H . 15952 1 1109 . 1 1 91 91 ASP HA H 1 5.098 0.01 . . . . . . 91 ASP HA . 15952 1 1110 . 1 1 91 91 ASP HB2 H 1 2.36 0.01 . . . . . . 91 ASP HB2 . 15952 1 1111 . 1 1 91 91 ASP HB3 H 1 2.95 0.01 . . . . . . 91 ASP HB3 . 15952 1 1112 . 1 1 91 91 ASP C C 13 175.823 0.03 . . . . . . 91 ASP C . 15952 1 1113 . 1 1 91 91 ASP CA C 13 51.8 0.03 . . . . . . 91 ASP CA . 15952 1 1114 . 1 1 91 91 ASP CB C 13 42.265 0.03 . . . . . . 91 ASP CB . 15952 1 1115 . 1 1 91 91 ASP N N 15 116.3 0.04 . . . . . . 91 ASP N . 15952 1 1116 . 1 1 92 92 PHE H H 1 9.54 0.01 . . . . . . 92 PHE H . 15952 1 1117 . 1 1 92 92 PHE HA H 1 4.48 0.01 . . . . . . 92 PHE HA . 15952 1 1118 . 1 1 92 92 PHE HB2 H 1 3.14 0.01 . . . . . . 92 PHE HB1 . 15952 1 1119 . 1 1 92 92 PHE HB3 H 1 3.3 0.01 . . . . . . 92 PHE HB2 . 15952 1 1120 . 1 1 92 92 PHE C C 13 173.437 0.03 . . . . . . 92 PHE C . 15952 1 1121 . 1 1 92 92 PHE CA C 13 58.83 0.03 . . . . . . 92 PHE CA . 15952 1 1122 . 1 1 92 92 PHE N N 15 128.1 0.04 . . . . . . 92 PHE N . 15952 1 1123 . 1 1 93 93 ASP H H 1 7.812 0.01 . . . . . . 93 ASP H . 15952 1 1124 . 1 1 93 93 ASP HA H 1 4.48 0.01 . . . . . . 93 ASP HA . 15952 1 1125 . 1 1 93 93 ASP HB2 H 1 2.79 0.01 . . . . . . 93 ASP HB2 . 15952 1 1126 . 1 1 93 93 ASP HB3 H 1 2.86 0.01 . . . . . . 93 ASP HB3 . 15952 1 1127 . 1 1 93 93 ASP C C 13 175.548 0.03 . . . . . . 93 ASP C . 15952 1 1128 . 1 1 93 93 ASP CA C 13 53.701 0.03 . . . . . . 93 ASP CA . 15952 1 1129 . 1 1 93 93 ASP CB C 13 41.736 0.03 . . . . . . 93 ASP CB . 15952 1 1130 . 1 1 93 93 ASP N N 15 122.1 0.04 . . . . . . 93 ASP N . 15952 1 1131 . 1 1 94 94 ARG H H 1 8.264 0.01 . . . . . . 94 ARG H . 15952 1 1132 . 1 1 94 94 ARG HA H 1 4.0 0.01 . . . . . . 94 ARG HA . 15952 1 1133 . 1 1 94 94 ARG HB2 H 1 1.5 0.01 . . . . . . 94 ARG HB2 . 15952 1 1134 . 1 1 94 94 ARG HB3 H 1 1.5 0.01 . . . . . . 94 ARG HB3 . 15952 1 1135 . 1 1 94 94 ARG HD2 H 1 2.922 0.01 . . . . . . 94 ARG HD2 . 15952 1 1136 . 1 1 94 94 ARG HD3 H 1 2.922 0.01 . . . . . . 94 ARG HD3 . 15952 1 1137 . 1 1 94 94 ARG HG2 H 1 1.14 0.01 . . . . . . 94 ARG HG2 . 15952 1 1138 . 1 1 94 94 ARG HG3 H 1 1.248 0.01 . . . . . . 94 ARG HG3 . 15952 1 1139 . 1 1 94 94 ARG C C 13 175.795 0.03 . . . . . . 94 ARG C . 15952 1 1140 . 1 1 94 94 ARG CA C 13 56.142 0.03 . . . . . . 94 ARG CA . 15952 1 1141 . 1 1 94 94 ARG CB C 13 30.173 0.03 . . . . . . 94 ARG CB . 15952 1 1142 . 1 1 94 94 ARG CD C 13 41.83 0.03 . . . . . . 94 ARG CD . 15952 1 1143 . 1 1 94 94 ARG CG C 13 24.9 0.03 . . . . . . 94 ARG CG . 15952 1 1144 . 1 1 94 94 ARG N N 15 121.5 0.04 . . . . . . 94 ARG N . 15952 1 1145 . 1 1 95 95 PHE H H 1 6.889 0.01 . . . . . . 95 PHE H . 15952 1 1146 . 1 1 95 95 PHE HA H 1 4.373 0.01 . . . . . . 95 PHE HA . 15952 1 1147 . 1 1 95 95 PHE HB2 H 1 2.958 0.01 . . . . . . 95 PHE HB1 . 15952 1 1148 . 1 1 95 95 PHE HB3 H 1 3.222 0.01 . . . . . . 95 PHE HB2 . 15952 1 1149 . 1 1 95 95 PHE C C 13 172.969 0.03 . . . . . . 95 PHE C . 15952 1 1150 . 1 1 95 95 PHE CA C 13 59.85 0.03 . . . . . . 95 PHE CA . 15952 1 1151 . 1 1 95 95 PHE CB C 13 38.955 0.03 . . . . . . 95 PHE CB . 15952 1 1152 . 1 1 95 95 PHE N N 15 118.6 0.04 . . . . . . 95 PHE N . 15952 1 1153 . 1 1 96 96 SER H H 1 8.027 0.01 . . . . . . 96 SER H . 15952 1 1154 . 1 1 96 96 SER HA H 1 4.22 0.01 . . . . . . 96 SER HA . 15952 1 1155 . 1 1 96 96 SER HB2 H 1 3.816 0.01 . . . . . . 96 SER HB2 . 15952 1 1156 . 1 1 96 96 SER HB3 H 1 3.852 0.01 . . . . . . 96 SER HB3 . 15952 1 1157 . 1 1 96 96 SER C C 13 174.149 0.03 . . . . . . 96 SER C . 15952 1 1158 . 1 1 96 96 SER CA C 13 57.596 0.03 . . . . . . 96 SER CA . 15952 1 1159 . 1 1 96 96 SER CB C 13 63.494 0.03 . . . . . . 96 SER CB . 15952 1 1160 . 1 1 96 96 SER N N 15 114.2 0.04 . . . . . . 96 SER N . 15952 1 1161 . 1 1 97 97 LYS H H 1 8.264 0.01 . . . . . . 97 LYS H . 15952 1 1162 . 1 1 97 97 LYS HA H 1 4.202 0.01 . . . . . . 97 LYS HA . 15952 1 1163 . 1 1 97 97 LYS HB2 H 1 1.7 0.01 . . . . . . 97 LYS HB2 . 15952 1 1164 . 1 1 97 97 LYS HB3 H 1 1.7 0.01 . . . . . . 97 LYS HB3 . 15952 1 1165 . 1 1 97 97 LYS HD2 H 1 1.732 0.01 . . . . . . 97 LYS HD1 . 15952 1 1166 . 1 1 97 97 LYS HD3 H 1 1.732 0.01 . . . . . . 97 LYS HD2 . 15952 1 1167 . 1 1 97 97 LYS HE2 H 1 2.931 0.01 . . . . . . 97 LYS HE1 . 15952 1 1168 . 1 1 97 97 LYS HE3 H 1 2.931 0.01 . . . . . . 97 LYS HE2 . 15952 1 1169 . 1 1 97 97 LYS HG2 H 1 1.35 0.01 . . . . . . 97 LYS HG2 . 15952 1 1170 . 1 1 97 97 LYS HG3 H 1 1.35 0.01 . . . . . . 97 LYS HG3 . 15952 1 1171 . 1 1 97 97 LYS C C 13 175.599 0.03 . . . . . . 97 LYS C . 15952 1 1172 . 1 1 97 97 LYS CA C 13 58.206 0.03 . . . . . . 97 LYS CA . 15952 1 1173 . 1 1 97 97 LYS CB C 13 31.86 0.03 . . . . . . 97 LYS CB . 15952 1 1174 . 1 1 97 97 LYS CD C 13 28.15 0.03 . . . . . . 97 LYS CD . 15952 1 1175 . 1 1 97 97 LYS CG C 13 24.61 0.03 . . . . . . 97 LYS CG . 15952 1 1176 . 1 1 97 97 LYS N N 15 121.6 0.04 . . . . . . 97 LYS N . 15952 1 1177 . 1 1 98 98 HIS H H 1 8.35 0.01 . . . . . . 98 HIS H . 15952 1 1178 . 1 1 98 98 HIS HA H 1 4.784 0.01 . . . . . . 98 HIS HA . 15952 1 1179 . 1 1 98 98 HIS HB2 H 1 2.75 0.01 . . . . . . 98 HIS HB2 . 15952 1 1180 . 1 1 98 98 HIS HB3 H 1 2.83 0.01 . . . . . . 98 HIS HB3 . 15952 1 1181 . 1 1 98 98 HIS C C 13 174.05 0.03 . . . . . . 98 HIS C . 15952 1 1182 . 1 1 98 98 HIS CA C 13 54.159 0.03 . . . . . . 98 HIS CA . 15952 1 1183 . 1 1 98 98 HIS CB C 13 30.04 0.03 . . . . . . 98 HIS CB . 15952 1 1184 . 1 1 98 98 HIS N N 15 119.0 0.04 . . . . . . 98 HIS N . 15952 1 1185 . 1 1 99 99 ASP H H 1 8.812 0.01 . . . . . . 99 ASP H . 15952 1 1186 . 1 1 99 99 ASP HA H 1 4.781 0.01 . . . . . . 99 ASP HA . 15952 1 1187 . 1 1 99 99 ASP HB2 H 1 2.716 0.01 . . . . . . 99 ASP HB2 . 15952 1 1188 . 1 1 99 99 ASP HB3 H 1 2.795 0.01 . . . . . . 99 ASP HB3 . 15952 1 1189 . 1 1 99 99 ASP C C 13 174.346 0.03 . . . . . . 99 ASP C . 15952 1 1190 . 1 1 99 99 ASP CA C 13 53.806 0.03 . . . . . . 99 ASP CA . 15952 1 1191 . 1 1 99 99 ASP CB C 13 41.074 0.03 . . . . . . 99 ASP CB . 15952 1 1192 . 1 1 99 99 ASP N N 15 122.6 0.04 . . . . . . 99 ASP N . 15952 1 1193 . 1 1 100 100 ILE H H 1 8.075 0.01 . . . . . . 100 ILE H . 15952 1 1194 . 1 1 100 100 ILE HA H 1 3.405 0.01 . . . . . . 100 ILE HA . 15952 1 1195 . 1 1 100 100 ILE HB H 1 1.252 0.01 . . . . . . 100 ILE HB . 15952 1 1196 . 1 1 100 100 ILE HD11 H 1 0.4927 0.01 . . . . . . 100 ILE HD1 . 15952 1 1197 . 1 1 100 100 ILE HD12 H 1 0.4927 0.01 . . . . . . 100 ILE HD1 . 15952 1 1198 . 1 1 100 100 ILE HD13 H 1 0.4927 0.01 . . . . . . 100 ILE HD1 . 15952 1 1199 . 1 1 100 100 ILE HG12 H 1 0.1986 0.01 . . . . . . 100 ILE HG11 . 15952 1 1200 . 1 1 100 100 ILE HG13 H 1 0.708 0.01 . . . . . . 100 ILE HG12 . 15952 1 1201 . 1 1 100 100 ILE HG21 H 1 0.5651 0.01 . . . . . . 100 ILE HG2 . 15952 1 1202 . 1 1 100 100 ILE HG22 H 1 0.5651 0.01 . . . . . . 100 ILE HG2 . 15952 1 1203 . 1 1 100 100 ILE HG23 H 1 0.5651 0.01 . . . . . . 100 ILE HG2 . 15952 1 1204 . 1 1 100 100 ILE C C 13 174.431 0.03 . . . . . . 100 ILE C . 15952 1 1205 . 1 1 100 100 ILE CA C 13 60.989 0.03 . . . . . . 100 ILE CA . 15952 1 1206 . 1 1 100 100 ILE CB C 13 38.823 0.03 . . . . . . 100 ILE CB . 15952 1 1207 . 1 1 100 100 ILE CD1 C 13 13.6 0.03 . . . . . . 100 ILE CD1 . 15952 1 1208 . 1 1 100 100 ILE CG1 C 13 29.03 0.03 . . . . . . 100 ILE CG1 . 15952 1 1209 . 1 1 100 100 ILE CG2 C 13 15.78 0.03 . . . . . . 100 ILE CG2 . 15952 1 1210 . 1 1 100 100 ILE N N 15 122.4 0.04 . . . . . . 100 ILE N . 15952 1 1211 . 1 1 101 101 ILE H H 1 9.219 0.01 . . . . . . 101 ILE H . 15952 1 1212 . 1 1 101 101 ILE HA H 1 3.869 0.01 . . . . . . 101 ILE HA . 15952 1 1213 . 1 1 101 101 ILE HB H 1 1.438 0.01 . . . . . . 101 ILE HB . 15952 1 1214 . 1 1 101 101 ILE HG12 H 1 0.8682 0.01 . . . . . . 101 ILE HG11 . 15952 1 1215 . 1 1 101 101 ILE HG13 H 1 0.8682 0.01 . . . . . . 101 ILE HG12 . 15952 1 1216 . 1 1 101 101 ILE HG21 H 1 0.809 0.01 . . . . . . 101 ILE HG2 . 15952 1 1217 . 1 1 101 101 ILE HG22 H 1 0.809 0.01 . . . . . . 101 ILE HG2 . 15952 1 1218 . 1 1 101 101 ILE HG23 H 1 0.809 0.01 . . . . . . 101 ILE HG2 . 15952 1 1219 . 1 1 101 101 ILE C C 13 175.859 0.03 . . . . . . 101 ILE C . 15952 1 1220 . 1 1 101 101 ILE CA C 13 63.38 0.03 . . . . . . 101 ILE CA . 15952 1 1221 . 1 1 101 101 ILE CB C 13 38.058 0.03 . . . . . . 101 ILE CB . 15952 1 1222 . 1 1 101 101 ILE CD1 C 13 12.81 0.03 . . . . . . 101 ILE CD1 . 15952 1 1223 . 1 1 101 101 ILE CG1 C 13 27.5 0.03 . . . . . . 101 ILE CG1 . 15952 1 1224 . 1 1 101 101 ILE CG2 C 13 17.22 0.03 . . . . . . 101 ILE CG2 . 15952 1 1225 . 1 1 101 101 ILE N N 15 127.4 0.04 . . . . . . 101 ILE N . 15952 1 1226 . 1 1 102 102 GLY H H 1 7.241 0.01 . . . . . . 102 GLY NH . 15952 1 1227 . 1 1 102 102 GLY HA2 H 1 3.811 0.01 . . . . . . 102 GLY HA1 . 15952 1 1228 . 1 1 102 102 GLY HA3 H 1 4.024 0.01 . . . . . . 102 GLY HA2 . 15952 1 1229 . 1 1 102 102 GLY C C 13 169.614 0.03 . . . . . . 102 GLY C . 15952 1 1230 . 1 1 102 102 GLY CA C 13 45.259 0.03 . . . . . . 102 GLY CA . 15952 1 1231 . 1 1 102 102 GLY N N 15 101.5 0.04 . . . . . . 102 GLY N . 15952 1 1232 . 1 1 103 103 GLU H H 1 9.499 0.01 . . . . . . 103 GLU H . 15952 1 1233 . 1 1 103 103 GLU HA H 1 5.513 0.01 . . . . . . 103 GLU HA . 15952 1 1234 . 1 1 103 103 GLU HB2 H 1 1.855 0.01 . . . . . . 103 GLU HB2 . 15952 1 1235 . 1 1 103 103 GLU HB3 H 1 1.855 0.01 . . . . . . 103 GLU HB3 . 15952 1 1236 . 1 1 103 103 GLU HG2 H 1 1.77 0.01 . . . . . . 103 GLU HG2 . 15952 1 1237 . 1 1 103 103 GLU HG3 H 1 1.85 0.01 . . . . . . 103 GLU HG3 . 15952 1 1238 . 1 1 103 103 GLU C C 13 173.993 0.03 . . . . . . 103 GLU C . 15952 1 1239 . 1 1 103 103 GLU CA C 13 54.229 0.03 . . . . . . 103 GLU CA . 15952 1 1240 . 1 1 103 103 GLU CB C 13 34.012 0.03 . . . . . . 103 GLU CB . 15952 1 1241 . 1 1 103 103 GLU CG C 13 33.36 0.03 . . . . . . 103 GLU CG . 15952 1 1242 . 1 1 103 103 GLU N N 15 117.1 0.04 . . . . . . 103 GLU N . 15952 1 1243 . 1 1 104 104 PHE H H 1 8.525 0.01 . . . . . . 104 PHE H . 15952 1 1244 . 1 1 104 104 PHE HA H 1 4.731 0.01 . . . . . . 104 PHE HA . 15952 1 1245 . 1 1 104 104 PHE HB2 H 1 3.094 0.01 . . . . . . 104 PHE HB1 . 15952 1 1246 . 1 1 104 104 PHE HB3 H 1 3.094 0.01 . . . . . . 104 PHE HB2 . 15952 1 1247 . 1 1 104 104 PHE C C 13 171.749 0.03 . . . . . . 104 PHE C . 15952 1 1248 . 1 1 104 104 PHE CA C 13 58.037 0.03 . . . . . . 104 PHE CA . 15952 1 1249 . 1 1 104 104 PHE CB C 13 41.03 0.03 . . . . . . 104 PHE CB . 15952 1 1250 . 1 1 104 104 PHE N N 15 115.9 0.04 . . . . . . 104 PHE N . 15952 1 1251 . 1 1 105 105 LYS H H 1 7.8047 0.01 . . . . . . 105 LYS H . 15952 1 1252 . 1 1 105 105 LYS HA H 1 5.188 0.01 . . . . . . 105 LYS HA . 15952 1 1253 . 1 1 105 105 LYS HB2 H 1 1.222 0.01 . . . . . . 105 LYS HB2 . 15952 1 1254 . 1 1 105 105 LYS HB3 H 1 1.528 0.01 . . . . . . 105 LYS HB3 . 15952 1 1255 . 1 1 105 105 LYS HD2 H 1 1.47 0.01 . . . . . . 105 LYS HD1 . 15952 1 1256 . 1 1 105 105 LYS HD3 H 1 1.47 0.01 . . . . . . 105 LYS HD2 . 15952 1 1257 . 1 1 105 105 LYS HE2 H 1 2.709 0.01 . . . . . . 105 LYS HE1 . 15952 1 1258 . 1 1 105 105 LYS HE3 H 1 2.709 0.01 . . . . . . 105 LYS HE2 . 15952 1 1259 . 1 1 105 105 LYS HG2 H 1 1.198 0.01 . . . . . . 105 LYS HG2 . 15952 1 1260 . 1 1 105 105 LYS HG3 H 1 1.198 0.01 . . . . . . 105 LYS HG3 . 15952 1 1261 . 1 1 105 105 LYS C C 13 175.389 0.03 . . . . . . 105 LYS C . 15952 1 1262 . 1 1 105 105 LYS CA C 13 53.771 0.03 . . . . . . 105 LYS CA . 15952 1 1263 . 1 1 105 105 LYS CB C 13 34.953 0.03 . . . . . . 105 LYS CB . 15952 1 1264 . 1 1 105 105 LYS CD C 13 29.02 0.03 . . . . . . 105 LYS CD . 15952 1 1265 . 1 1 105 105 LYS CE C 13 41.18 0.03 . . . . . . 105 LYS CE . 15952 1 1266 . 1 1 105 105 LYS CG C 13 25.11 0.03 . . . . . . 105 LYS CG . 15952 1 1267 . 1 1 105 105 LYS N N 15 118.9 0.04 . . . . . . 105 LYS N . 15952 1 1268 . 1 1 106 106 VAL H H 1 9.276 0.01 . . . . . . 106 VAL H . 15952 1 1269 . 1 1 106 106 VAL HA H 1 4.43 0.01 . . . . . . 106 VAL HA . 15952 1 1270 . 1 1 106 106 VAL HB H 1 1.95 0.01 . . . . . . 106 VAL HB . 15952 1 1271 . 1 1 106 106 VAL HG11 H 1 0.6736 0.01 . . . . . . 106 VAL HG1 . 15952 1 1272 . 1 1 106 106 VAL HG12 H 1 0.6736 0.01 . . . . . . 106 VAL HG1 . 15952 1 1273 . 1 1 106 106 VAL HG13 H 1 0.6736 0.01 . . . . . . 106 VAL HG1 . 15952 1 1274 . 1 1 106 106 VAL HG21 H 1 0.613 0.01 . . . . . . 106 VAL HG2 . 15952 1 1275 . 1 1 106 106 VAL HG22 H 1 0.613 0.01 . . . . . . 106 VAL HG2 . 15952 1 1276 . 1 1 106 106 VAL HG23 H 1 0.613 0.01 . . . . . . 106 VAL HG2 . 15952 1 1277 . 1 1 106 106 VAL C C 13 173.3 0.03 . . . . . . 106 VAL C . 15952 1 1278 . 1 1 106 106 VAL CA C 13 58.522 0.03 . . . . . . 106 VAL CA . 15952 1 1279 . 1 1 106 106 VAL CB C 13 34.05 0.03 . . . . . . 106 VAL CB . 15952 1 1280 . 1 1 106 106 VAL CG1 C 13 20.41 0.03 . . . . . . 106 VAL CG1 . 15952 1 1281 . 1 1 106 106 VAL CG2 C 13 19.97 0.03 . . . . . . 106 VAL CG2 . 15952 1 1282 . 1 1 106 106 VAL N N 15 121.4 0.04 . . . . . . 106 VAL N . 15952 1 1283 . 1 1 107 107 PRO HA H 1 4.703 0.01 . . . . . . 107 PRO HA . 15952 1 1284 . 1 1 107 107 PRO HB2 H 1 2.189 0.01 . . . . . . 107 PRO HB2 . 15952 1 1285 . 1 1 107 107 PRO HB3 H 1 2.36 0.01 . . . . . . 107 PRO HB3 . 15952 1 1286 . 1 1 107 107 PRO HD2 H 1 3.709 0.01 . . . . . . 107 PRO HD2 . 15952 1 1287 . 1 1 107 107 PRO HD3 H 1 3.709 0.01 . . . . . . 107 PRO HD3 . 15952 1 1288 . 1 1 107 107 PRO HG2 H 1 1.836 0.01 . . . . . . 107 PRO HG2 . 15952 1 1289 . 1 1 107 107 PRO HG3 H 1 2.32 0.01 . . . . . . 107 PRO HG3 . 15952 1 1290 . 1 1 107 107 PRO C C 13 178.967 0.03 . . . . . . 107 PRO C . 15952 1 1291 . 1 1 107 107 PRO CA C 13 62.265 0.03 . . . . . . 107 PRO CA . 15952 1 1292 . 1 1 107 107 PRO CB C 13 31.157 0.03 . . . . . . 107 PRO CB . 15952 1 1293 . 1 1 107 107 PRO CD C 13 50.99 0.03 . . . . . . 107 PRO CD . 15952 1 1294 . 1 1 107 107 PRO CG C 13 27.43 0.03 . . . . . . 107 PRO CG . 15952 1 1295 . 1 1 108 108 MET H H 1 8.716 0.01 . . . . . . 108 MET H . 15952 1 1296 . 1 1 108 108 MET HA H 1 4.483 0.01 . . . . . . 108 MET HA . 15952 1 1297 . 1 1 108 108 MET HB2 H 1 1.89 0.01 . . . . . . 108 MET HB2 . 15952 1 1298 . 1 1 108 108 MET HB3 H 1 2.3 0.01 . . . . . . 108 MET HB3 . 15952 1 1299 . 1 1 108 108 MET HG2 H 1 2.513 0.01 . . . . . . 108 MET HG1 . 15952 1 1300 . 1 1 108 108 MET HG3 H 1 2.628 0.01 . . . . . . 108 MET HG2 . 15952 1 1301 . 1 1 108 108 MET C C 13 176.858 0.03 . . . . . . 108 MET C . 15952 1 1302 . 1 1 108 108 MET CA C 13 56.728 0.03 . . . . . . 108 MET CA . 15952 1 1303 . 1 1 108 108 MET CB C 13 32.909 0.03 . . . . . . 108 MET CB . 15952 1 1304 . 1 1 108 108 MET CG C 13 33.44 0.03 . . . . . . 108 MET CG . 15952 1 1305 . 1 1 108 108 MET N N 15 126.3 0.04 . . . . . . 108 MET N . 15952 1 1306 . 1 1 109 109 ASN H H 1 8.342 0.01 . . . . . . 109 ASN H . 15952 1 1307 . 1 1 109 109 ASN HA H 1 4.564 0.01 . . . . . . 109 ASN HA . 15952 1 1308 . 1 1 109 109 ASN HB2 H 1 3.064 0.01 . . . . . . 109 ASN HB2 . 15952 1 1309 . 1 1 109 109 ASN HB3 H 1 3.064 0.01 . . . . . . 109 ASN HB3 . 15952 1 1310 . 1 1 109 109 ASN HD21 H 1 7.402 0.01 . . . . . . 109 ASN HD21 . 15952 1 1311 . 1 1 109 109 ASN HD22 H 1 6.438 0.01 . . . . . . 109 ASN HD22 . 15952 1 1312 . 1 1 109 109 ASN C C 13 175.789 0.03 . . . . . . 109 ASN C . 15952 1 1313 . 1 1 109 109 ASN CA C 13 53.983 0.03 . . . . . . 109 ASN CA . 15952 1 1314 . 1 1 109 109 ASN CB C 13 36.227 0.03 . . . . . . 109 ASN CB . 15952 1 1315 . 1 1 109 109 ASN N N 15 115.6 0.04 . . . . . . 109 ASN N . 15952 1 1316 . 1 1 109 109 ASN ND2 N 15 109.6 0.04 . . . . . . 109 ASN ND2 . 15952 1 1317 . 1 1 110 110 THR H H 1 7.5216 0.01 . . . . . . 110 THR H . 15952 1 1318 . 1 1 110 110 THR HA H 1 4.461 0.01 . . . . . . 110 THR HA . 15952 1 1319 . 1 1 110 110 THR HB H 1 4.465 0.01 . . . . . . 110 THR HB . 15952 1 1320 . 1 1 110 110 THR HG21 H 1 1.18 0.01 . . . . . . 110 THR HG2 . 15952 1 1321 . 1 1 110 110 THR HG22 H 1 1.18 0.01 . . . . . . 110 THR HG2 . 15952 1 1322 . 1 1 110 110 THR HG23 H 1 1.18 0.01 . . . . . . 110 THR HG2 . 15952 1 1323 . 1 1 110 110 THR C C 13 173.508 0.03 . . . . . . 110 THR C . 15952 1 1324 . 1 1 110 110 THR CA C 13 61.115 0.03 . . . . . . 110 THR CA . 15952 1 1325 . 1 1 110 110 THR CB C 13 62.929 0.03 . . . . . . 110 THR CB . 15952 1 1326 . 1 1 110 110 THR CG2 C 13 21.06 0.03 . . . . . . 110 THR CG . 15952 1 1327 . 1 1 110 110 THR N N 15 107.6 0.04 . . . . . . 110 THR N . 15952 1 1328 . 1 1 111 111 VAL H H 1 6.96 0.01 . . . . . . 111 VAL H . 15952 1 1329 . 1 1 111 111 VAL HA H 1 3.703 0.01 . . . . . . 111 VAL HA . 15952 1 1330 . 1 1 111 111 VAL HB H 1 1.577 0.01 . . . . . . 111 VAL HB . 15952 1 1331 . 1 1 111 111 VAL HG11 H 1 0.6646 0.01 . . . . . . 111 VAL HG1 . 15952 1 1332 . 1 1 111 111 VAL HG12 H 1 0.6646 0.01 . . . . . . 111 VAL HG1 . 15952 1 1333 . 1 1 111 111 VAL HG13 H 1 0.6646 0.01 . . . . . . 111 VAL HG1 . 15952 1 1334 . 1 1 111 111 VAL HG21 H 1 -0.105 0.01 . . . . . . 111 VAL HG2 . 15952 1 1335 . 1 1 111 111 VAL HG22 H 1 -0.105 0.01 . . . . . . 111 VAL HG2 . 15952 1 1336 . 1 1 111 111 VAL HG23 H 1 -0.105 0.01 . . . . . . 111 VAL HG2 . 15952 1 1337 . 1 1 111 111 VAL C C 13 173.903 0.03 . . . . . . 111 VAL C . 15952 1 1338 . 1 1 111 111 VAL CA C 13 61.782 0.03 . . . . . . 111 VAL CA . 15952 1 1339 . 1 1 111 111 VAL CB C 13 32.821 0.03 . . . . . . 111 VAL CB . 15952 1 1340 . 1 1 111 111 VAL CG1 C 13 21.78 0.03 . . . . . . 111 VAL CG1 . 15952 1 1341 . 1 1 111 111 VAL CG2 C 13 20.41 0.03 . . . . . . 111 VAL CG2 . 15952 1 1342 . 1 1 111 111 VAL N N 15 123.7 0.04 . . . . . . 111 VAL N . 15952 1 1343 . 1 1 112 112 ASP H H 1 8.341 0.01 . . . . . . 112 ASP H . 15952 1 1344 . 1 1 112 112 ASP HA H 1 4.719 0.01 . . . . . . 112 ASP HA . 15952 1 1345 . 1 1 112 112 ASP HB2 H 1 2.513 0.01 . . . . . . 112 ASP HB2 . 15952 1 1346 . 1 1 112 112 ASP HB3 H 1 2.79 0.01 . . . . . . 112 ASP HB3 . 15952 1 1347 . 1 1 112 112 ASP C C 13 175.407 0.03 . . . . . . 112 ASP C . 15952 1 1348 . 1 1 112 112 ASP CA C 13 51.777 0.03 . . . . . . 112 ASP CA . 15952 1 1349 . 1 1 112 112 ASP CB C 13 40.648 0.03 . . . . . . 112 ASP CB . 15952 1 1350 . 1 1 112 112 ASP N N 15 125.8 0.04 . . . . . . 112 ASP N . 15952 1 1351 . 1 1 113 113 PHE H H 1 8.391 0.01 . . . . . . 113 PHE H . 15952 1 1352 . 1 1 113 113 PHE HA H 1 4.67 0.01 . . . . . . 113 PHE HA . 15952 1 1353 . 1 1 113 113 PHE HB2 H 1 3.047 0.01 . . . . . . 113 PHE HB1 . 15952 1 1354 . 1 1 113 113 PHE HB3 H 1 3.665 0.01 . . . . . . 113 PHE HB2 . 15952 1 1355 . 1 1 113 113 PHE C C 13 175.854 0.03 . . . . . . 113 PHE C . 15952 1 1356 . 1 1 113 113 PHE CA C 13 59.887 0.03 . . . . . . 113 PHE CA . 15952 1 1357 . 1 1 113 113 PHE CB C 13 37.999 0.03 . . . . . . 113 PHE CB . 15952 1 1358 . 1 1 113 113 PHE N N 15 122.7 0.04 . . . . . . 113 PHE N . 15952 1 1359 . 1 1 114 114 GLY H H 1 8.953 0.01 . . . . . . 114 GLY NH . 15952 1 1360 . 1 1 114 114 GLY HA2 H 1 3.912 0.01 . . . . . . 114 GLY HA1 . 15952 1 1361 . 1 1 114 114 GLY HA3 H 1 4.018 0.01 . . . . . . 114 GLY HA2 . 15952 1 1362 . 1 1 114 114 GLY C C 13 172.963 0.03 . . . . . . 114 GLY C . 15952 1 1363 . 1 1 114 114 GLY CA C 13 45.657 0.03 . . . . . . 114 GLY CA . 15952 1 1364 . 1 1 114 114 GLY N N 15 108.608 0.04 . . . . . . 114 GLY N . 15952 1 1365 . 1 1 115 115 HIS H H 1 7.51 0.01 . . . . . . 115 HIS H . 15952 1 1366 . 1 1 115 115 HIS HA H 1 4.868 0.01 . . . . . . 115 HIS HA . 15952 1 1367 . 1 1 115 115 HIS HB2 H 1 3.12 0.01 . . . . . . 115 HIS HB2 . 15952 1 1368 . 1 1 115 115 HIS HB3 H 1 3.305 0.01 . . . . . . 115 HIS HB3 . 15952 1 1369 . 1 1 115 115 HIS C C 13 172.453 0.03 . . . . . . 115 HIS C . 15952 1 1370 . 1 1 115 115 HIS CA C 13 53.533 0.03 . . . . . . 115 HIS CA . 15952 1 1371 . 1 1 115 115 HIS CB C 13 30.349 0.03 . . . . . . 115 HIS CB . 15952 1 1372 . 1 1 115 115 HIS N N 15 114.926 0.04 . . . . . . 115 HIS N . 15952 1 1373 . 1 1 116 116 VAL H H 1 8.46 0.01 . . . . . . 116 VAL H . 15952 1 1374 . 1 1 116 116 VAL HA H 1 4.268 0.01 . . . . . . 116 VAL HA . 15952 1 1375 . 1 1 116 116 VAL HB H 1 1.998 0.01 . . . . . . 116 VAL HB . 15952 1 1376 . 1 1 116 116 VAL HG11 H 1 0.9496 0.01 . . . . . . 116 VAL HG1 . 15952 1 1377 . 1 1 116 116 VAL HG12 H 1 0.9496 0.01 . . . . . . 116 VAL HG1 . 15952 1 1378 . 1 1 116 116 VAL HG13 H 1 0.9496 0.01 . . . . . . 116 VAL HG1 . 15952 1 1379 . 1 1 116 116 VAL HG21 H 1 0.8184 0.01 . . . . . . 116 VAL HG2 . 15952 1 1380 . 1 1 116 116 VAL HG22 H 1 0.8184 0.01 . . . . . . 116 VAL HG2 . 15952 1 1381 . 1 1 116 116 VAL HG23 H 1 0.8184 0.01 . . . . . . 116 VAL HG2 . 15952 1 1382 . 1 1 116 116 VAL C C 13 176.352 0.03 . . . . . . 116 VAL C . 15952 1 1383 . 1 1 116 116 VAL CA C 13 62.992 0.03 . . . . . . 116 VAL CA . 15952 1 1384 . 1 1 116 116 VAL CB C 13 31.85 0.03 . . . . . . 116 VAL CB . 15952 1 1385 . 1 1 116 116 VAL CG1 C 13 21.49 0.03 . . . . . . 116 VAL CG1 . 15952 1 1386 . 1 1 116 116 VAL CG2 C 13 20.34 0.03 . . . . . . 116 VAL CG2 . 15952 1 1387 . 1 1 116 116 VAL N N 15 122.1 0.04 . . . . . . 116 VAL N . 15952 1 1388 . 1 1 117 117 THR H H 1 8.55 0.01 . . . . . . 117 THR H . 15952 1 1389 . 1 1 117 117 THR HA H 1 4.46 0.01 . . . . . . 117 THR HA . 15952 1 1390 . 1 1 117 117 THR HB H 1 4.014 0.01 . . . . . . 117 THR HB . 15952 1 1391 . 1 1 117 117 THR HG21 H 1 1.027 0.01 . . . . . . 117 THR HG2 . 15952 1 1392 . 1 1 117 117 THR HG22 H 1 1.027 0.01 . . . . . . 117 THR HG2 . 15952 1 1393 . 1 1 117 117 THR HG23 H 1 1.027 0.01 . . . . . . 117 THR HG2 . 15952 1 1394 . 1 1 117 117 THR C C 13 172.762 0.03 . . . . . . 117 THR C . 15952 1 1395 . 1 1 117 117 THR CA C 13 61.694 0.03 . . . . . . 117 THR CA . 15952 1 1396 . 1 1 117 117 THR CB C 13 70.001 0.03 . . . . . . 117 THR CB . 15952 1 1397 . 1 1 117 117 THR CG2 C 13 20.48 0.03 . . . . . . 117 THR CG . 15952 1 1398 . 1 1 117 117 THR N N 15 124.7 0.04 . . . . . . 117 THR N . 15952 1 1399 . 1 1 118 118 GLU H H 1 8.382 0.01 . . . . . . 118 GLU H . 15952 1 1400 . 1 1 118 118 GLU HA H 1 4.776 0.01 . . . . . . 118 GLU HA . 15952 1 1401 . 1 1 118 118 GLU HB2 H 1 1.687 0.01 . . . . . . 118 GLU HB2 . 15952 1 1402 . 1 1 118 118 GLU HB3 H 1 1.687 0.01 . . . . . . 118 GLU HB3 . 15952 1 1403 . 1 1 118 118 GLU HG2 H 1 1.601 0.01 . . . . . . 118 GLU HG2 . 15952 1 1404 . 1 1 118 118 GLU HG3 H 1 1.823 0.01 . . . . . . 118 GLU HG3 . 15952 1 1405 . 1 1 118 118 GLU C C 13 174.419 0.03 . . . . . . 118 GLU C . 15952 1 1406 . 1 1 118 118 GLU CA C 13 55.038 0.03 . . . . . . 118 GLU CA . 15952 1 1407 . 1 1 118 118 GLU CB C 13 30.835 0.03 . . . . . . 118 GLU CB . 15952 1 1408 . 1 1 118 118 GLU CG C 13 34.63 0.03 . . . . . . 118 GLU CG . 15952 1 1409 . 1 1 118 118 GLU N N 15 126.0 0.04 . . . . . . 118 GLU N . 15952 1 1410 . 1 1 119 119 GLU H H 1 8.057 0.01 . . . . . . 119 GLU H . 15952 1 1411 . 1 1 119 119 GLU HA H 1 4.631 0.01 . . . . . . 119 GLU HA . 15952 1 1412 . 1 1 119 119 GLU HB2 H 1 1.419 0.01 . . . . . . 119 GLU HB2 . 15952 1 1413 . 1 1 119 119 GLU HB3 H 1 1.77 0.01 . . . . . . 119 GLU HB3 . 15952 1 1414 . 1 1 119 119 GLU HG2 H 1 1.886 0.01 . . . . . . 119 GLU HG2 . 15952 1 1415 . 1 1 119 119 GLU HG3 H 1 1.886 0.01 . . . . . . 119 GLU HG3 . 15952 1 1416 . 1 1 119 119 GLU C C 13 173.072 0.03 . . . . . . 119 GLU C . 15952 1 1417 . 1 1 119 119 GLU CA C 13 54.292 0.03 . . . . . . 119 GLU CA . 15952 1 1418 . 1 1 119 119 GLU CB C 13 32.909 0.03 . . . . . . 119 GLU CB . 15952 1 1419 . 1 1 119 119 GLU CG C 13 34.82 0.03 . . . . . . 119 GLU CG . 15952 1 1420 . 1 1 119 119 GLU N N 15 123.0 0.04 . . . . . . 119 GLU N . 15952 1 1421 . 1 1 120 120 TRP H H 1 8.212 0.01 . . . . . . 120 TRP H . 15952 1 1422 . 1 1 120 120 TRP HA H 1 5.322 0.01 . . . . . . 120 TRP HA . 15952 1 1423 . 1 1 120 120 TRP HB2 H 1 2.905 0.01 . . . . . . 120 TRP HB2 . 15952 1 1424 . 1 1 120 120 TRP HB3 H 1 2.905 0.01 . . . . . . 120 TRP HB3 . 15952 1 1425 . 1 1 120 120 TRP HD1 H 1 7.4 0.01 . . . . . . 120 TRP HD1 . 15952 1 1426 . 1 1 120 120 TRP HE1 H 1 10.19 0.01 . . . . . . 120 TRP HE1 . 15952 1 1427 . 1 1 120 120 TRP HH2 H 1 6.71 0.01 . . . . . . 120 TRP HH2 . 15952 1 1428 . 1 1 120 120 TRP HZ2 H 1 7.24 0.01 . . . . . . 120 TRP HZ2 . 15952 1 1429 . 1 1 120 120 TRP HZ3 H 1 6.7 0.01 . . . . . . 120 TRP HZ3 . 15952 1 1430 . 1 1 120 120 TRP C C 13 177.336 0.03 . . . . . . 120 TRP C . 15952 1 1431 . 1 1 120 120 TRP CA C 13 55.672 0.03 . . . . . . 120 TRP CA . 15952 1 1432 . 1 1 120 120 TRP CB C 13 31.259 0.03 . . . . . . 120 TRP CB . 15952 1 1433 . 1 1 120 120 TRP N N 15 118.3 0.04 . . . . . . 120 TRP N . 15952 1 1434 . 1 1 120 120 TRP NE1 N 15 131.0 0.04 . . . . . . 120 TRP NE1 . 15952 1 1435 . 1 1 121 121 ARG H H 1 9.012 0.01 . . . . . . 121 ARG H . 15952 1 1436 . 1 1 121 121 ARG HA H 1 4.488 0.01 . . . . . . 121 ARG HA . 15952 1 1437 . 1 1 121 121 ARG HB3 H 1 0.807 0.01 . . . . . . 121 ARG HB3 . 15952 1 1438 . 1 1 121 121 ARG HD2 H 1 2.719 0.01 . . . . . . 121 ARG HD2 . 15952 1 1439 . 1 1 121 121 ARG HD3 H 1 3.09 0.01 . . . . . . 121 ARG HD3 . 15952 1 1440 . 1 1 121 121 ARG HG2 H 1 1.194 0.01 . . . . . . 121 ARG HG2 . 15952 1 1441 . 1 1 121 121 ARG HG3 H 1 1.293 0.01 . . . . . . 121 ARG HG3 . 15952 1 1442 . 1 1 121 121 ARG C C 13 174.321 0.03 . . . . . . 121 ARG C . 15952 1 1443 . 1 1 121 121 ARG CA C 13 53.631 0.03 . . . . . . 121 ARG CA . 15952 1 1444 . 1 1 121 121 ARG CB C 13 32.865 0.03 . . . . . . 121 ARG CB . 15952 1 1445 . 1 1 121 121 ARG CD C 13 42.12 0.03 . . . . . . 121 ARG CD . 15952 1 1446 . 1 1 121 121 ARG CG C 13 27.43 0.03 . . . . . . 121 ARG CG . 15952 1 1447 . 1 1 121 121 ARG N N 15 120.9 0.04 . . . . . . 121 ARG N . 15952 1 1448 . 1 1 122 122 ASP H H 1 8.226 0.01 . . . . . . 122 ASP H . 15952 1 1449 . 1 1 122 122 ASP HA H 1 4.791 0.01 . . . . . . 122 ASP HA . 15952 1 1450 . 1 1 122 122 ASP HB2 H 1 2.454 0.01 . . . . . . 122 ASP HB2 . 15952 1 1451 . 1 1 122 122 ASP HB3 H 1 2.708 0.01 . . . . . . 122 ASP HB3 . 15952 1 1452 . 1 1 122 122 ASP C C 13 176.041 0.03 . . . . . . 122 ASP C . 15952 1 1453 . 1 1 122 122 ASP CA C 13 53.795 0.03 . . . . . . 122 ASP CA . 15952 1 1454 . 1 1 122 122 ASP CB C 13 40.544 0.03 . . . . . . 122 ASP CB . 15952 1 1455 . 1 1 122 122 ASP N N 15 121.6 0.04 . . . . . . 122 ASP N . 15952 1 1456 . 1 1 123 123 LEU H H 1 8.436 0.01 . . . . . . 123 LEU H . 15952 1 1457 . 1 1 123 123 LEU HA H 1 4.125 0.01 . . . . . . 123 LEU HA . 15952 1 1458 . 1 1 123 123 LEU HB2 H 1 1.609 0.01 . . . . . . 123 LEU HB2 . 15952 1 1459 . 1 1 123 123 LEU HB3 H 1 1.609 0.01 . . . . . . 123 LEU HB3 . 15952 1 1460 . 1 1 123 123 LEU HD11 H 1 0.6963 0.01 . . . . . . 123 LEU HD1 . 15952 1 1461 . 1 1 123 123 LEU HD12 H 1 0.6963 0.01 . . . . . . 123 LEU HD1 . 15952 1 1462 . 1 1 123 123 LEU HD13 H 1 0.6963 0.01 . . . . . . 123 LEU HD1 . 15952 1 1463 . 1 1 123 123 LEU HD21 H 1 0.6963 0.01 . . . . . . 123 LEU HD2 . 15952 1 1464 . 1 1 123 123 LEU HD22 H 1 0.6963 0.01 . . . . . . 123 LEU HD2 . 15952 1 1465 . 1 1 123 123 LEU HD23 H 1 0.6963 0.01 . . . . . . 123 LEU HD2 . 15952 1 1466 . 1 1 123 123 LEU HG H 1 1.56 0.01 . . . . . . 123 LEU HG . 15952 1 1467 . 1 1 123 123 LEU C C 13 175.964 0.03 . . . . . . 123 LEU C . 15952 1 1468 . 1 1 123 123 LEU CA C 13 54.997 0.03 . . . . . . 123 LEU CA . 15952 1 1469 . 1 1 123 123 LEU CB C 13 41.765 0.03 . . . . . . 123 LEU CB . 15952 1 1470 . 1 1 123 123 LEU CD1 C 13 24.46 0.03 . . . . . . 123 LEU CD1 . 15952 1 1471 . 1 1 123 123 LEU CD2 C 13 22.58 0.03 . . . . . . 123 LEU CD2 . 15952 1 1472 . 1 1 123 123 LEU CG C 13 27.21 0.03 . . . . . . 123 LEU CG . 15952 1 1473 . 1 1 123 123 LEU N N 15 120.7 0.04 . . . . . . 123 LEU N . 15952 1 1474 . 1 1 124 124 GLN H H 1 9.02 0.01 . . . . . . 124 GLN H . 15952 1 1475 . 1 1 124 124 GLN HA H 1 4.738 0.01 . . . . . . 124 GLN HA . 15952 1 1476 . 1 1 124 124 GLN HB2 H 1 2.238 0.01 . . . . . . 124 GLN HB2 . 15952 1 1477 . 1 1 124 124 GLN HB3 H 1 2.238 0.01 . . . . . . 124 GLN HB3 . 15952 1 1478 . 1 1 124 124 GLN HE21 H 1 7.507 0.01 . . . . . . 124 GLN HE21 . 15952 1 1479 . 1 1 124 124 GLN HE22 H 1 6.783 0.01 . . . . . . 124 GLN HE22 . 15952 1 1480 . 1 1 124 124 GLN HG2 H 1 2.238 0.01 . . . . . . 124 GLN HG2 . 15952 1 1481 . 1 1 124 124 GLN HG3 H 1 2.51 0.01 . . . . . . 124 GLN HG3 . 15952 1 1482 . 1 1 124 124 GLN C C 13 175.183 0.03 . . . . . . 124 GLN C . 15952 1 1483 . 1 1 124 124 GLN CA C 13 53.278 0.03 . . . . . . 124 GLN CA . 15952 1 1484 . 1 1 124 124 GLN CB C 13 31.232 0.03 . . . . . . 124 GLN CB . 15952 1 1485 . 1 1 124 124 GLN CG C 13 33.29 0.03 . . . . . . 124 GLN CG . 15952 1 1486 . 1 1 124 124 GLN N N 15 119.2 0.04 . . . . . . 124 GLN N . 15952 1 1487 . 1 1 124 124 GLN NE2 N 15 112.5 0.04 . . . . . . 124 GLN NE2 . 15952 1 1488 . 1 1 125 125 SER H H 1 8.543 0.01 . . . . . . 125 SER H . 15952 1 1489 . 1 1 125 125 SER HA H 1 4.235 0.01 . . . . . . 125 SER HA . 15952 1 1490 . 1 1 125 125 SER HB2 H 1 3.834 0.01 . . . . . . 125 SER HB2 . 15952 1 1491 . 1 1 125 125 SER HB3 H 1 3.834 0.01 . . . . . . 125 SER HB3 . 15952 1 1492 . 1 1 125 125 SER C C 13 174.609 0.03 . . . . . . 125 SER C . 15952 1 1493 . 1 1 125 125 SER CA C 13 58.477 0.03 . . . . . . 125 SER CA . 15952 1 1494 . 1 1 125 125 SER CB C 13 63.274 0.03 . . . . . . 125 SER CB . 15952 1 1495 . 1 1 125 125 SER N N 15 115.3 0.04 . . . . . . 125 SER N . 15952 1 1496 . 1 1 126 126 ALA H H 1 8.64 0.01 . . . . . . 126 ALA H . 15952 1 1497 . 1 1 126 126 ALA HA H 1 4.216 0.01 . . . . . . 126 ALA HA . 15952 1 1498 . 1 1 126 126 ALA HB1 H 1 1.2 0.01 . . . . . . 126 ALA HB . 15952 1 1499 . 1 1 126 126 ALA HB2 H 1 1.2 0.01 . . . . . . 126 ALA HB . 15952 1 1500 . 1 1 126 126 ALA HB3 H 1 1.2 0.01 . . . . . . 126 ALA HB . 15952 1 1501 . 1 1 126 126 ALA C C 13 176.876 0.03 . . . . . . 126 ALA C . 15952 1 1502 . 1 1 126 126 ALA CA C 13 51.636 0.03 . . . . . . 126 ALA CA . 15952 1 1503 . 1 1 126 126 ALA CB C 13 19.845 0.03 . . . . . . 126 ALA CB . 15952 1 1504 . 1 1 126 126 ALA N N 15 126.9 0.04 . . . . . . 126 ALA N . 15952 1 1505 . 1 1 127 127 GLU H H 1 8.204 0.01 . . . . . . 127 GLU H . 15952 1 1506 . 1 1 127 127 GLU HA H 1 4.176 0.01 . . . . . . 127 GLU HA . 15952 1 1507 . 1 1 127 127 GLU HB2 H 1 1.854 0.01 . . . . . . 127 GLU HB2 . 15952 1 1508 . 1 1 127 127 GLU HB3 H 1 1.993 0.01 . . . . . . 127 GLU HB3 . 15952 1 1509 . 1 1 127 127 GLU HG2 H 1 2.194 0.01 . . . . . . 127 GLU HG2 . 15952 1 1510 . 1 1 127 127 GLU HG3 H 1 2.194 0.01 . . . . . . 127 GLU HG3 . 15952 1 1511 . 1 1 127 127 GLU C C 13 175.129 0.03 . . . . . . 127 GLU C . 15952 1 1512 . 1 1 127 127 GLU CA C 13 56.142 0.03 . . . . . . 127 GLU CA . 15952 1 1513 . 1 1 127 127 GLU CB C 13 29.996 0.03 . . . . . . 127 GLU CB . 15952 1 1514 . 1 1 127 127 GLU CG C 13 35.61 0.03 . . . . . . 127 GLU CG . 15952 1 1515 . 1 1 127 127 GLU N N 15 120.6 0.04 . . . . . . 127 GLU N . 15952 1 1516 . 1 1 128 128 LYS H H 1 7.884 0.01 . . . . . . 128 LYS H . 15952 1 1517 . 1 1 128 128 LYS HA H 1 4.1 0.01 . . . . . . 128 LYS HA . 15952 1 1518 . 1 1 128 128 LYS HB2 H 1 1.66 0.01 . . . . . . 128 LYS HB2 . 15952 1 1519 . 1 1 128 128 LYS HB3 H 1 1.78 0.01 . . . . . . 128 LYS HB3 . 15952 1 1520 . 1 1 128 128 LYS HD2 H 1 1.732 0.01 . . . . . . 128 LYS HD1 . 15952 1 1521 . 1 1 128 128 LYS HD3 H 1 1.732 0.01 . . . . . . 128 LYS HD2 . 15952 1 1522 . 1 1 128 128 LYS HE2 H 1 2.904 0.01 . . . . . . 128 LYS HE1 . 15952 1 1523 . 1 1 128 128 LYS HE3 H 1 2.904 0.01 . . . . . . 128 LYS HE2 . 15952 1 1524 . 1 1 128 128 LYS HG2 H 1 1.298 0.01 . . . . . . 128 LYS HG2 . 15952 1 1525 . 1 1 128 128 LYS HG3 H 1 1.298 0.01 . . . . . . 128 LYS HG3 . 15952 1 1526 . 1 1 128 128 LYS C C 13 180.8 0.03 . . . . . . 128 LYS C . 15952 1 1527 . 1 1 128 128 LYS CA C 13 57.285 0.03 . . . . . . 128 LYS CA . 15952 1 1528 . 1 1 128 128 LYS CB C 13 33.16 0.03 . . . . . . 128 LYS CB . 15952 1 1529 . 1 1 128 128 LYS CD C 13 32.13 0.03 . . . . . . 128 LYS CD . 15952 1 1530 . 1 1 128 128 LYS CE C 13 41.62 0.03 . . . . . . 128 LYS CE . 15952 1 1531 . 1 1 128 128 LYS CG C 13 24.32 0.03 . . . . . . 128 LYS CG . 15952 1 1532 . 1 1 128 128 LYS N N 15 127.42 0.04 . . . . . . 128 LYS N . 15952 1 stop_ save_