data_6980 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6980 _Entry.Title ; Chemical Shift Assignment of human allograft inflammatory factor I ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-13 _Entry.Accession_date 2006-02-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jikui Song . . . 6980 2 Robert Tyler . C. . 6980 3 Carrie 'Loushin Newman' . . . 6980 4 Dmitriy Vinarov . . . 6980 5 John Markley . L. . 6980 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6980 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 591 6980 '15N chemical shifts' 144 6980 '1H chemical shifts' 860 6980 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-06-29 2006-02-13 update BMRB 'added time domain data' 6980 1 . . 2006-03-29 2006-02-13 original author 'original release' 6980 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2G2B 'BMRB Entry Tracking System' 6980 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6980 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of Human Allograft Inflammatory Factor I' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jikui Song . . . 6980 1 2 Robert Tyler . C. . 6980 1 3 Carrie 'Loushin Newman' . . . 6980 1 4 Dmitriy Vinarov . . . 6980 1 5 John Markley . L. . 6980 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6980 _Assembly.ID 1 _Assembly.Name BC009474 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 BC009474 1 $BC009474 . . yes native no no . . . 6980 1 2 'CALCIUM (II) ION' 2 $CA . . . native no no diamagnetic . . 6980 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BC009474 _Entity.Sf_category entity _Entity.Sf_framecode BC009474 _Entity.Entry_ID 6980 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Allograft inflammatory factor 1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLESQTRDLQGGKAFGLLK AQQEERLDEINKQFLDDPKY SSDEDLPSKLEGFKEKYMEF DLNGNGDIDIMSLKRMLEKL GVPKTHLELKKLIGEVSSGS GETFSYPDFLRMMLGKRSAI LKMILMYEEKAREKEKPTGP PAKKAISELP ; _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 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2D58 . "Human Microglia-Specific Protein Iba1" . . . . . 71.33 107 100.00 100.00 7.49e-68 . . . . 6980 1 2 no PDB 2G2B . "Nmr Structure Of The Human Allograft Inflammatory Factor 1" . . . . . 100.00 150 100.00 100.00 4.42e-100 . . . . 6980 1 3 no DBJ BAA13088 . "Iba1 (ionized calcium binding adapter molecule 1) [Homo sapiens]" . . . . . 97.33 147 100.00 100.00 2.90e-97 . . . . 6980 1 4 no DBJ BAB63392 . "Allograft inflammatory factor [Homo sapiens]" . . . . . 97.33 147 100.00 100.00 2.90e-97 . . . . 6980 1 5 no DBJ BAD69720 . "allograft inflammatory factor 1 [Macaca mulatta]" . . . . . 97.33 147 99.32 99.32 6.30e-96 . . . . 6980 1 6 no DBJ BAF83460 . "unnamed protein product [Homo sapiens]" . . . . . 97.33 147 99.32 99.32 3.38e-96 . . . . 6980 1 7 no EMBL CAA75060 . "G1, putative splice variant of allograft inflamatory factor-1 [Homo sapiens]" . . . . . 62.00 93 100.00 100.00 5.19e-57 . . . . 6980 1 8 no EMBL CAA75062 . "allograft inflamatory factor-1 [Homo sapiens]" . . . . . 97.33 147 100.00 100.00 2.90e-97 . . . . 6980 1 9 no EMBL CAG46950 . "AIF1 [Homo sapiens]" . . . . . 62.00 93 100.00 100.00 5.19e-57 . . . . 6980 1 10 no GB AAB05003 . "allograft-inflammatory factor-1 [Homo sapiens]" . . . . . 97.33 147 100.00 100.00 2.90e-97 . . . . 6980 1 11 no GB AAD18087 . "AIF-1 [Homo sapiens]" . . . . . 97.33 147 99.32 99.32 3.38e-96 . . . . 6980 1 12 no GB AAF98708 . "allograft inflammatory factor 1 [Macaca mulatta]" . . . . . 63.33 95 98.95 98.95 1.02e-57 . . . . 6980 1 13 no GB AAG39110 . "allograft inflammatory factor-1 splice variant G1 [Homo sapiens]" . . . . . 62.00 93 100.00 100.00 5.19e-57 . . . . 6980 1 14 no GB AAH09474 . "Allograft inflammatory factor 1 [Homo sapiens]" . . . . . 97.33 147 100.00 100.00 2.90e-97 . . . . 6980 1 15 no REF NP_001040583 . "allograft inflammatory factor 1 [Macaca mulatta]" . . . . . 97.33 147 99.32 99.32 6.30e-96 . . . . 6980 1 16 no REF NP_001614 . "allograft inflammatory factor 1 isoform 3 [Homo sapiens]" . . . . . 97.33 147 100.00 100.00 2.90e-97 . . . . 6980 1 17 no REF NP_116573 . "allograft inflammatory factor 1 isoform 1 [Homo sapiens]" . . . . . 62.00 93 100.00 100.00 5.19e-57 . . . . 6980 1 18 no REF XP_001154743 . "PREDICTED: allograft inflammatory factor 1 isoform X4 [Pan troglodytes]" . . . . . 97.33 147 99.32 99.32 3.38e-96 . . . . 6980 1 19 no REF XP_002816779 . "PREDICTED: allograft inflammatory factor 1 isoform X1 [Pongo abelii]" . . . . . 97.33 147 99.32 100.00 1.03e-96 . . . . 6980 1 20 no SP P55008 . "RecName: Full=Allograft inflammatory factor 1; Short=AIF-1; AltName: Full=Ionized calcium-binding adapter molecule 1; AltName: " . . . . . 97.33 147 100.00 100.00 2.90e-97 . . . . 6980 1 21 no SP Q5TM25 . "RecName: Full=Allograft inflammatory factor 1; Short=AIF-1 [Macaca mulatta]" . . . . . 97.33 147 99.32 99.32 6.30e-96 . . . . 6980 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 6980 1 2 . PRO . 6980 1 3 . LEU . 6980 1 4 . GLU . 6980 1 5 . SER . 6980 1 6 . GLN . 6980 1 7 . THR . 6980 1 8 . ARG . 6980 1 9 . ASP . 6980 1 10 . LEU . 6980 1 11 . GLN . 6980 1 12 . GLY . 6980 1 13 . GLY . 6980 1 14 . LYS . 6980 1 15 . ALA . 6980 1 16 . PHE . 6980 1 17 . GLY . 6980 1 18 . LEU . 6980 1 19 . LEU . 6980 1 20 . LYS . 6980 1 21 . ALA . 6980 1 22 . GLN . 6980 1 23 . GLN . 6980 1 24 . GLU . 6980 1 25 . GLU . 6980 1 26 . ARG . 6980 1 27 . LEU . 6980 1 28 . ASP . 6980 1 29 . GLU . 6980 1 30 . ILE . 6980 1 31 . ASN . 6980 1 32 . LYS . 6980 1 33 . GLN . 6980 1 34 . PHE . 6980 1 35 . LEU . 6980 1 36 . ASP . 6980 1 37 . ASP . 6980 1 38 . PRO . 6980 1 39 . LYS . 6980 1 40 . TYR . 6980 1 41 . SER . 6980 1 42 . SER . 6980 1 43 . ASP . 6980 1 44 . GLU . 6980 1 45 . ASP . 6980 1 46 . LEU . 6980 1 47 . PRO . 6980 1 48 . SER . 6980 1 49 . LYS . 6980 1 50 . LEU . 6980 1 51 . GLU . 6980 1 52 . GLY . 6980 1 53 . PHE . 6980 1 54 . LYS . 6980 1 55 . GLU . 6980 1 56 . LYS . 6980 1 57 . TYR . 6980 1 58 . MET . 6980 1 59 . GLU . 6980 1 60 . PHE . 6980 1 61 . ASP . 6980 1 62 . LEU . 6980 1 63 . ASN . 6980 1 64 . GLY . 6980 1 65 . ASN . 6980 1 66 . GLY . 6980 1 67 . ASP . 6980 1 68 . ILE . 6980 1 69 . ASP . 6980 1 70 . ILE . 6980 1 71 . MET . 6980 1 72 . SER . 6980 1 73 . LEU . 6980 1 74 . LYS . 6980 1 75 . ARG . 6980 1 76 . MET . 6980 1 77 . LEU . 6980 1 78 . GLU . 6980 1 79 . LYS . 6980 1 80 . LEU . 6980 1 81 . GLY . 6980 1 82 . VAL . 6980 1 83 . PRO . 6980 1 84 . LYS . 6980 1 85 . THR . 6980 1 86 . HIS . 6980 1 87 . LEU . 6980 1 88 . GLU . 6980 1 89 . LEU . 6980 1 90 . LYS . 6980 1 91 . LYS . 6980 1 92 . LEU . 6980 1 93 . ILE . 6980 1 94 . GLY . 6980 1 95 . GLU . 6980 1 96 . VAL . 6980 1 97 . SER . 6980 1 98 . SER . 6980 1 99 . GLY . 6980 1 100 . SER . 6980 1 101 . GLY . 6980 1 102 . GLU . 6980 1 103 . THR . 6980 1 104 . PHE . 6980 1 105 . SER . 6980 1 106 . TYR . 6980 1 107 . PRO . 6980 1 108 . ASP . 6980 1 109 . PHE . 6980 1 110 . LEU . 6980 1 111 . ARG . 6980 1 112 . MET . 6980 1 113 . MET . 6980 1 114 . LEU . 6980 1 115 . GLY . 6980 1 116 . LYS . 6980 1 117 . ARG . 6980 1 118 . SER . 6980 1 119 . ALA . 6980 1 120 . ILE . 6980 1 121 . LEU . 6980 1 122 . LYS . 6980 1 123 . MET . 6980 1 124 . ILE . 6980 1 125 . LEU . 6980 1 126 . MET . 6980 1 127 . TYR . 6980 1 128 . GLU . 6980 1 129 . GLU . 6980 1 130 . LYS . 6980 1 131 . ALA . 6980 1 132 . ARG . 6980 1 133 . GLU . 6980 1 134 . LYS . 6980 1 135 . GLU . 6980 1 136 . LYS . 6980 1 137 . PRO . 6980 1 138 . THR . 6980 1 139 . GLY . 6980 1 140 . PRO . 6980 1 141 . PRO . 6980 1 142 . ALA . 6980 1 143 . LYS . 6980 1 144 . LYS . 6980 1 145 . ALA . 6980 1 146 . ILE . 6980 1 147 . SER . 6980 1 148 . GLU . 6980 1 149 . LEU . 6980 1 150 . PRO . 6980 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6980 1 . PRO 2 2 6980 1 . LEU 3 3 6980 1 . GLU 4 4 6980 1 . SER 5 5 6980 1 . GLN 6 6 6980 1 . THR 7 7 6980 1 . ARG 8 8 6980 1 . ASP 9 9 6980 1 . LEU 10 10 6980 1 . GLN 11 11 6980 1 . GLY 12 12 6980 1 . GLY 13 13 6980 1 . LYS 14 14 6980 1 . ALA 15 15 6980 1 . PHE 16 16 6980 1 . GLY 17 17 6980 1 . LEU 18 18 6980 1 . LEU 19 19 6980 1 . LYS 20 20 6980 1 . ALA 21 21 6980 1 . GLN 22 22 6980 1 . GLN 23 23 6980 1 . GLU 24 24 6980 1 . GLU 25 25 6980 1 . ARG 26 26 6980 1 . LEU 27 27 6980 1 . ASP 28 28 6980 1 . GLU 29 29 6980 1 . ILE 30 30 6980 1 . ASN 31 31 6980 1 . LYS 32 32 6980 1 . GLN 33 33 6980 1 . PHE 34 34 6980 1 . LEU 35 35 6980 1 . ASP 36 36 6980 1 . ASP 37 37 6980 1 . PRO 38 38 6980 1 . LYS 39 39 6980 1 . TYR 40 40 6980 1 . SER 41 41 6980 1 . SER 42 42 6980 1 . ASP 43 43 6980 1 . GLU 44 44 6980 1 . ASP 45 45 6980 1 . LEU 46 46 6980 1 . PRO 47 47 6980 1 . SER 48 48 6980 1 . LYS 49 49 6980 1 . LEU 50 50 6980 1 . GLU 51 51 6980 1 . GLY 52 52 6980 1 . PHE 53 53 6980 1 . LYS 54 54 6980 1 . GLU 55 55 6980 1 . LYS 56 56 6980 1 . TYR 57 57 6980 1 . MET 58 58 6980 1 . GLU 59 59 6980 1 . PHE 60 60 6980 1 . ASP 61 61 6980 1 . LEU 62 62 6980 1 . ASN 63 63 6980 1 . GLY 64 64 6980 1 . ASN 65 65 6980 1 . GLY 66 66 6980 1 . ASP 67 67 6980 1 . ILE 68 68 6980 1 . ASP 69 69 6980 1 . ILE 70 70 6980 1 . MET 71 71 6980 1 . SER 72 72 6980 1 . LEU 73 73 6980 1 . LYS 74 74 6980 1 . ARG 75 75 6980 1 . MET 76 76 6980 1 . LEU 77 77 6980 1 . GLU 78 78 6980 1 . LYS 79 79 6980 1 . LEU 80 80 6980 1 . GLY 81 81 6980 1 . VAL 82 82 6980 1 . PRO 83 83 6980 1 . LYS 84 84 6980 1 . THR 85 85 6980 1 . HIS 86 86 6980 1 . LEU 87 87 6980 1 . GLU 88 88 6980 1 . LEU 89 89 6980 1 . LYS 90 90 6980 1 . LYS 91 91 6980 1 . LEU 92 92 6980 1 . ILE 93 93 6980 1 . GLY 94 94 6980 1 . GLU 95 95 6980 1 . VAL 96 96 6980 1 . SER 97 97 6980 1 . SER 98 98 6980 1 . GLY 99 99 6980 1 . SER 100 100 6980 1 . GLY 101 101 6980 1 . GLU 102 102 6980 1 . THR 103 103 6980 1 . PHE 104 104 6980 1 . SER 105 105 6980 1 . TYR 106 106 6980 1 . PRO 107 107 6980 1 . ASP 108 108 6980 1 . PHE 109 109 6980 1 . LEU 110 110 6980 1 . ARG 111 111 6980 1 . MET 112 112 6980 1 . MET 113 113 6980 1 . LEU 114 114 6980 1 . GLY 115 115 6980 1 . LYS 116 116 6980 1 . ARG 117 117 6980 1 . SER 118 118 6980 1 . ALA 119 119 6980 1 . ILE 120 120 6980 1 . LEU 121 121 6980 1 . LYS 122 122 6980 1 . MET 123 123 6980 1 . ILE 124 124 6980 1 . LEU 125 125 6980 1 . MET 126 126 6980 1 . TYR 127 127 6980 1 . GLU 128 128 6980 1 . GLU 129 129 6980 1 . LYS 130 130 6980 1 . ALA 131 131 6980 1 . ARG 132 132 6980 1 . GLU 133 133 6980 1 . LYS 134 134 6980 1 . GLU 135 135 6980 1 . LYS 136 136 6980 1 . PRO 137 137 6980 1 . THR 138 138 6980 1 . GLY 139 139 6980 1 . PRO 140 140 6980 1 . PRO 141 141 6980 1 . ALA 142 142 6980 1 . LYS 143 143 6980 1 . LYS 144 144 6980 1 . ALA 145 145 6980 1 . ILE 146 146 6980 1 . SER 147 147 6980 1 . GLU 148 148 6980 1 . LEU 149 149 6980 1 . PRO 150 150 6980 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 6980 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . CA . 6980 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 6980 _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 $BC009474 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6980 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 6980 _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 $BC009474 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6980 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 6980 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Sep 19 14:39:19 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 6980 CA [Ca++] SMILES CACTVS 3.341 6980 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 6980 CA [Ca+2] SMILES ACDLabs 10.04 6980 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 6980 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6980 CA InChI=1S/Ca/q+2 InChI InChI 1.03 6980 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 6980 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6980 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6980 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6980 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Allograft inflammatory factor 1' . . . 1 $BC009474 . protein 0.5 . . mM 0.1 . . . 6980 1 2 MOPS . . . . . . buffer 10 . . mM 1 . . . 6980 1 3 NaCl . . . . . . salt 100 . . mM 5 . . . 6980 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6980 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 10 mM 6980 1 pH 7.0 0.1 pH 6980 1 pressure 1 0.1 atm 6980 1 temperature 298 0.1 K 6980 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6980 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6980 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 6980 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6980 _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 1H,15N-HSQC yes 1 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6980 1 2 1H,13C-HSQC yes 2 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6980 1 3 HNCACB yes 3 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6980 1 4 CBCACONH yes 4 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6980 1 5 HCCHTOCSY yes 5 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6980 1 6 CCONH yes 6 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6980 1 7 HCCONH yes 7 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6980 1 8 '3D C13NOESY' yes 8 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6980 1 9 '3D N15NOESY' yes 9 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6980 1 10 HBACONH yes 10 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6980 1 11 HBCBCGCDHD yes 11 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6980 1 12 HBCBCGCDCEHE yes 12 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6980 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6980 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6980 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6980 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6980 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6980 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6980 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.436 0.05 . 1 . . . . 2 P HA . 6980 1 2 . 1 1 2 2 PRO HB2 H 1 1.938 0.05 . 2 . . . . 2 P HB2 . 6980 1 3 . 1 1 2 2 PRO HB3 H 1 2.313 0.05 . 2 . . . . 2 P HB3 . 6980 1 4 . 1 1 2 2 PRO HG3 H 1 1.973 0.05 . 2 . . . . 2 P HG3 . 6980 1 5 . 1 1 2 2 PRO HD2 H 1 3.572 0.05 . 2 . . . . 2 P HD2 . 6980 1 6 . 1 1 2 2 PRO C C 13 177.136 0.15 . 1 . . . . 2 P C . 6980 1 7 . 1 1 2 2 PRO CA C 13 63.271 0.15 . 1 . . . . 2 P CA . 6980 1 8 . 1 1 2 2 PRO CB C 13 32.344 0.15 . 1 . . . . 2 P CB . 6980 1 9 . 1 1 2 2 PRO CG C 13 27.048 0.15 . 1 . . . . 2 P CG . 6980 1 10 . 1 1 2 2 PRO CD C 13 48.194 0.15 . 1 . . . . 2 P CD . 6980 1 11 . 1 1 3 3 LEU H H 1 8.511 0.05 . 1 . . . . 3 L H . 6980 1 12 . 1 1 3 3 LEU HA H 1 4.287 0.05 . 1 . . . . 3 L HA . 6980 1 13 . 1 1 3 3 LEU HB3 H 1 1.615 0.05 . 2 . . . . 3 L HB3 . 6980 1 14 . 1 1 3 3 LEU HD21 H 1 0.915 0.05 . 2 . . . . 3 L QD2 . 6980 1 15 . 1 1 3 3 LEU HD22 H 1 0.915 0.05 . 2 . . . . 3 L QD2 . 6980 1 16 . 1 1 3 3 LEU HD23 H 1 0.915 0.05 . 2 . . . . 3 L QD2 . 6980 1 17 . 1 1 3 3 LEU C C 13 177.857 0.15 . 1 . . . . 3 L C . 6980 1 18 . 1 1 3 3 LEU CA C 13 55.697 0.15 . 1 . . . . 3 L CA . 6980 1 19 . 1 1 3 3 LEU CB C 13 42.088 0.15 . 1 . . . . 3 L CB . 6980 1 20 . 1 1 3 3 LEU CG C 13 23.467 0.15 . 1 . . . . 3 L CG . 6980 1 21 . 1 1 3 3 LEU N N 15 121.565 0.15 . 1 . . . . 3 L N . 6980 1 22 . 1 1 4 4 GLU H H 1 8.353 0.05 . 1 . . . . 4 E H . 6980 1 23 . 1 1 4 4 GLU HA H 1 4.258 0.05 . 1 . . . . 4 E HA . 6980 1 24 . 1 1 4 4 GLU HB3 H 1 2.026 0.05 . 2 . . . . 4 E HB3 . 6980 1 25 . 1 1 4 4 GLU HG3 H 1 2.253 0.05 . 2 . . . . 4 E HG3 . 6980 1 26 . 1 1 4 4 GLU C C 13 176.826 0.15 . 1 . . . . 4 E C . 6980 1 27 . 1 1 4 4 GLU CA C 13 57.159 0.15 . 1 . . . . 4 E CA . 6980 1 28 . 1 1 4 4 GLU CB C 13 30.032 0.15 . 1 . . . . 4 E CB . 6980 1 29 . 1 1 4 4 GLU CG C 13 36.424 0.15 . 1 . . . . 4 E CG . 6980 1 30 . 1 1 4 4 GLU N N 15 121.397 0.15 . 1 . . . . 4 E N . 6980 1 31 . 1 1 5 5 SER H H 1 8.265 0.05 . 1 . . . . 5 S H . 6980 1 32 . 1 1 5 5 SER HA H 1 4.392 0.05 . 1 . . . . 5 S HA . 6980 1 33 . 1 1 5 5 SER HB2 H 1 3.866 0.05 . 2 . . . . 5 S HB2 . 6980 1 34 . 1 1 5 5 SER C C 13 174.768 0.15 . 1 . . . . 5 S C . 6980 1 35 . 1 1 5 5 SER CA C 13 58.742 0.15 . 1 . . . . 5 S CA . 6980 1 36 . 1 1 5 5 SER CB C 13 63.592 0.15 . 1 . . . . 5 S CB . 6980 1 37 . 1 1 5 5 SER N N 15 116.061 0.15 . 1 . . . . 5 S N . 6980 1 38 . 1 1 6 6 GLN H H 1 8.357 0.05 . 1 . . . . 6 Q H . 6980 1 39 . 1 1 6 6 GLN HA H 1 4.395 0.05 . 1 . . . . 6 Q HA . 6980 1 40 . 1 1 6 6 GLN HB3 H 1 2.077 0.05 . 2 . . . . 6 Q HB3 . 6980 1 41 . 1 1 6 6 GLN C C 13 176.335 0.15 . 1 . . . . 6 Q C . 6980 1 42 . 1 1 6 6 GLN CA C 13 56.154 0.15 . 1 . . . . 6 Q CA . 6980 1 43 . 1 1 6 6 GLN CB C 13 29.467 0.15 . 1 . . . . 6 Q CB . 6980 1 44 . 1 1 6 6 GLN N N 15 121.968 0.15 . 1 . . . . 6 Q N . 6980 1 45 . 1 1 7 7 THR H H 1 8.137 0.05 . 1 . . . . 7 T H . 6980 1 46 . 1 1 7 7 THR HG21 H 1 1.196 0.05 . 1 . . . . 7 T QG2 . 6980 1 47 . 1 1 7 7 THR HG22 H 1 1.196 0.05 . 1 . . . . 7 T QG2 . 6980 1 48 . 1 1 7 7 THR HG23 H 1 1.196 0.05 . 1 . . . . 7 T QG2 . 6980 1 49 . 1 1 7 7 THR C C 13 174.695 0.15 . 1 . . . . 7 T C . 6980 1 50 . 1 1 7 7 THR CA C 13 62.269 0.15 . 1 . . . . 7 T CA . 6980 1 51 . 1 1 7 7 THR CB C 13 69.581 0.15 . 1 . . . . 7 T CB . 6980 1 52 . 1 1 7 7 THR CG2 C 13 21.680 0.15 . 1 . . . . 7 T CG2 . 6980 1 53 . 1 1 7 7 THR N N 15 114.993 0.15 . 1 . . . . 7 T N . 6980 1 54 . 1 1 8 8 ARG H H 1 8.282 0.05 . 1 . . . . 8 R H . 6980 1 55 . 1 1 8 8 ARG HA H 1 4.282 0.05 . 1 . . . . 8 R HA . 6980 1 56 . 1 1 8 8 ARG HB3 H 1 1.789 0.05 . 2 . . . . 8 R HB3 . 6980 1 57 . 1 1 8 8 ARG HG2 H 1 1.609 0.05 . 2 . . . . 8 R HG2 . 6980 1 58 . 1 1 8 8 ARG HD3 H 1 3.184 0.05 . 2 . . . . 8 R HD3 . 6980 1 59 . 1 1 8 8 ARG C C 13 176.002 0.15 . 1 . . . . 8 R C . 6980 1 60 . 1 1 8 8 ARG CA C 13 56.457 0.15 . 1 . . . . 8 R CA . 6980 1 61 . 1 1 8 8 ARG CB C 13 30.827 0.15 . 1 . . . . 8 R CB . 6980 1 62 . 1 1 8 8 ARG CG C 13 27.082 0.15 . 1 . . . . 8 R CG . 6980 1 63 . 1 1 8 8 ARG N N 15 123.136 0.15 . 1 . . . . 8 R N . 6980 1 64 . 1 1 9 9 ASP H H 1 8.329 0.05 . 1 . . . . 9 D H . 6980 1 65 . 1 1 9 9 ASP HA H 1 4.565 0.05 . 1 . . . . 9 D HA . 6980 1 66 . 1 1 9 9 ASP HB3 H 1 2.626 0.05 . 2 . . . . 9 D HB3 . 6980 1 67 . 1 1 9 9 ASP C C 13 176.481 0.15 . 1 . . . . 9 D C . 6980 1 68 . 1 1 9 9 ASP CA C 13 54.432 0.15 . 1 . . . . 9 D CA . 6980 1 69 . 1 1 9 9 ASP CB C 13 41.004 0.15 . 1 . . . . 9 D CB . 6980 1 70 . 1 1 9 9 ASP N N 15 121.071 0.15 . 1 . . . . 9 D N . 6980 1 71 . 1 1 10 10 LEU H H 1 8.211 0.05 . 1 . . . . 10 L H . 6980 1 72 . 1 1 10 10 LEU HA H 1 4.272 0.05 . 1 . . . . 10 L HA . 6980 1 73 . 1 1 10 10 LEU HB3 H 1 1.635 0.05 . 2 . . . . 10 L HB3 . 6980 1 74 . 1 1 10 10 LEU HG H 1 1.627 0.05 . 1 . . . . 10 L HG . 6980 1 75 . 1 1 10 10 LEU HD21 H 1 0.872 0.05 . 2 . . . . 10 L QD2 . 6980 1 76 . 1 1 10 10 LEU HD22 H 1 0.872 0.05 . 2 . . . . 10 L QD2 . 6980 1 77 . 1 1 10 10 LEU HD23 H 1 0.872 0.05 . 2 . . . . 10 L QD2 . 6980 1 78 . 1 1 10 10 LEU C C 13 177.851 0.15 . 1 . . . . 10 L C . 6980 1 79 . 1 1 10 10 LEU CA C 13 55.588 0.15 . 1 . . . . 10 L CA . 6980 1 80 . 1 1 10 10 LEU CB C 13 42.057 0.15 . 1 . . . . 10 L CB . 6980 1 81 . 1 1 10 10 LEU CG C 13 27.059 0.15 . 1 . . . . 10 L CG . 6980 1 82 . 1 1 10 10 LEU CD1 C 13 23.136 0.15 . 2 . . . . 10 L CD1 . 6980 1 83 . 1 1 10 10 LEU CD2 C 13 24.999 0.15 . 2 . . . . 10 L CD2 . 6980 1 84 . 1 1 10 10 LEU N N 15 122.733 0.15 . 1 . . . . 10 L N . 6980 1 85 . 1 1 11 11 GLN H H 1 8.371 0.05 . 1 . . . . 11 Q H . 6980 1 86 . 1 1 11 11 GLN HA H 1 4.256 0.05 . 1 . . . . 11 Q HA . 6980 1 87 . 1 1 11 11 GLN HB3 H 1 2.059 0.05 . 2 . . . . 11 Q HB3 . 6980 1 88 . 1 1 11 11 GLN HG3 H 1 2.343 0.05 . 2 . . . . 11 Q HG3 . 6980 1 89 . 1 1 11 11 GLN C C 13 176.779 0.15 . 1 . . . . 11 Q C . 6980 1 90 . 1 1 11 11 GLN CA C 13 56.161 0.15 . 1 . . . . 11 Q CA . 6980 1 91 . 1 1 11 11 GLN CB C 13 29.106 0.15 . 1 . . . . 11 Q CB . 6980 1 92 . 1 1 11 11 GLN CG C 13 33.888 0.15 . 1 . . . . 11 Q CG . 6980 1 93 . 1 1 11 11 GLN N N 15 119.854 0.15 . 1 . . . . 11 Q N . 6980 1 94 . 1 1 12 12 GLY H H 1 8.345 0.05 . 1 . . . . 12 G H . 6980 1 95 . 1 1 12 12 GLY HA2 H 1 3.936 0.05 . 2 . . . . 12 G HA2 . 6980 1 96 . 1 1 12 12 GLY C C 13 174.923 0.15 . 1 . . . . 12 G C . 6980 1 97 . 1 1 12 12 GLY CA C 13 45.641 0.15 . 1 . . . . 12 G CA . 6980 1 98 . 1 1 12 12 GLY N N 15 109.387 0.15 . 1 . . . . 12 G N . 6980 1 99 . 1 1 13 13 GLY H H 1 8.284 0.05 . 1 . . . . 13 G H . 6980 1 100 . 1 1 13 13 GLY HA2 H 1 3.955 0.05 . 2 . . . . 13 G HA2 . 6980 1 101 . 1 1 13 13 GLY C C 13 174.499 0.15 . 1 . . . . 13 G C . 6980 1 102 . 1 1 13 13 GLY CA C 13 45.506 0.15 . 1 . . . . 13 G CA . 6980 1 103 . 1 1 13 13 GLY N N 15 108.657 0.15 . 1 . . . . 13 G N . 6980 1 104 . 1 1 14 14 LYS H H 1 8.137 0.05 . 1 . . . . 14 K H . 6980 1 105 . 1 1 14 14 LYS HA H 1 4.253 0.05 . 1 . . . . 14 K HA . 6980 1 106 . 1 1 14 14 LYS HB2 H 1 1.754 0.05 . 2 . . . . 14 K HB2 . 6980 1 107 . 1 1 14 14 LYS HG3 H 1 1.445 0.05 . 2 . . . . 14 K HG3 . 6980 1 108 . 1 1 14 14 LYS HD2 H 1 1.680 0.05 . 2 . . . . 14 K HD2 . 6980 1 109 . 1 1 14 14 LYS C C 13 176.627 0.15 . 1 . . . . 14 K C . 6980 1 110 . 1 1 14 14 LYS CA C 13 56.570 0.15 . 1 . . . . 14 K CA . 6980 1 111 . 1 1 14 14 LYS CB C 13 32.988 0.15 . 1 . . . . 14 K CB . 6980 1 112 . 1 1 14 14 LYS CG C 13 24.862 0.15 . 1 . . . . 14 K CG . 6980 1 113 . 1 1 14 14 LYS CD C 13 29.107 0.15 . 1 . . . . 14 K CD . 6980 1 114 . 1 1 14 14 LYS CE C 13 42.135 0.15 . 1 . . . . 14 K CE . 6980 1 115 . 1 1 14 14 LYS N N 15 120.776 0.15 . 1 . . . . 14 K N . 6980 1 116 . 1 1 15 15 ALA H H 1 8.264 0.05 . 1 . . . . 15 A H . 6980 1 117 . 1 1 15 15 ALA HA H 1 4.241 0.05 . 1 . . . . 15 A HA . 6980 1 118 . 1 1 15 15 ALA HB1 H 1 1.313 0.05 . 1 . . . . 15 A QB . 6980 1 119 . 1 1 15 15 ALA HB2 H 1 1.313 0.05 . 1 . . . . 15 A QB . 6980 1 120 . 1 1 15 15 ALA HB3 H 1 1.313 0.05 . 1 . . . . 15 A QB . 6980 1 121 . 1 1 15 15 ALA C C 13 177.790 0.15 . 1 . . . . 15 A C . 6980 1 122 . 1 1 15 15 ALA CA C 13 52.876 0.15 . 1 . . . . 15 A CA . 6980 1 123 . 1 1 15 15 ALA CB C 13 18.958 0.15 . 1 . . . . 15 A CB . 6980 1 124 . 1 1 15 15 ALA N N 15 124.074 0.15 . 1 . . . . 15 A N . 6980 1 125 . 1 1 16 16 PHE H H 1 8.166 0.05 . 1 . . . . 16 F H . 6980 1 126 . 1 1 16 16 PHE HA H 1 4.500 0.05 . 1 . . . . 16 F HA . 6980 1 127 . 1 1 16 16 PHE HB3 H 1 3.102 0.05 . 2 . . . . 16 F HB3 . 6980 1 128 . 1 1 16 16 PHE C C 13 176.689 0.15 . 1 . . . . 16 F C . 6980 1 129 . 1 1 16 16 PHE CA C 13 58.668 0.15 . 1 . . . . 16 F CA . 6980 1 130 . 1 1 16 16 PHE CB C 13 39.552 0.15 . 1 . . . . 16 F CB . 6980 1 131 . 1 1 16 16 PHE N N 15 119.524 0.15 . 1 . . . . 16 F N . 6980 1 132 . 1 1 17 17 GLY H H 1 8.309 0.05 . 1 . . . . 17 G H . 6980 1 133 . 1 1 17 17 GLY HA2 H 1 3.871 0.05 . 2 . . . . 17 G HA2 . 6980 1 134 . 1 1 17 17 GLY C C 13 174.826 0.15 . 1 . . . . 17 G C . 6980 1 135 . 1 1 17 17 GLY CA C 13 45.856 0.15 . 1 . . . . 17 G CA . 6980 1 136 . 1 1 17 17 GLY N N 15 109.156 0.15 . 1 . . . . 17 G N . 6980 1 137 . 1 1 18 18 LEU H H 1 7.980 0.05 . 1 . . . . 18 L H . 6980 1 138 . 1 1 18 18 LEU HA H 1 4.251 0.05 . 1 . . . . 18 L HA . 6980 1 139 . 1 1 18 18 LEU HB2 H 1 1.638 0.05 . 2 . . . . 18 L HB2 . 6980 1 140 . 1 1 18 18 LEU HD21 H 1 0.898 0.05 . 2 . . . . 18 L QD2 . 6980 1 141 . 1 1 18 18 LEU HD22 H 1 0.898 0.05 . 2 . . . . 18 L QD2 . 6980 1 142 . 1 1 18 18 LEU HD23 H 1 0.898 0.05 . 2 . . . . 18 L QD2 . 6980 1 143 . 1 1 18 18 LEU C C 13 178.166 0.15 . 1 . . . . 18 L C . 6980 1 144 . 1 1 18 18 LEU CA C 13 56.448 0.15 . 1 . . . . 18 L CA . 6980 1 145 . 1 1 18 18 LEU CB C 13 42.131 0.15 . 1 . . . . 18 L CB . 6980 1 146 . 1 1 18 18 LEU CG C 13 27.031 0.15 . 1 . . . . 18 L CG . 6980 1 147 . 1 1 18 18 LEU CD1 C 13 23.565 0.15 . 2 . . . . 18 L CD1 . 6980 1 148 . 1 1 18 18 LEU CD2 C 13 24.793 0.15 . 2 . . . . 18 L CD2 . 6980 1 149 . 1 1 18 18 LEU N N 15 122.078 0.15 . 1 . . . . 18 L N . 6980 1 150 . 1 1 19 19 LEU H H 1 8.067 0.05 . 1 . . . . 19 L H . 6980 1 151 . 1 1 19 19 LEU HB3 H 1 1.634 0.05 . 2 . . . . 19 L HB3 . 6980 1 152 . 1 1 19 19 LEU HD11 H 1 0.908 0.05 . 2 . . . . 19 L QD1 . 6980 1 153 . 1 1 19 19 LEU HD12 H 1 0.908 0.05 . 2 . . . . 19 L QD1 . 6980 1 154 . 1 1 19 19 LEU HD13 H 1 0.908 0.05 . 2 . . . . 19 L QD1 . 6980 1 155 . 1 1 19 19 LEU HD21 H 1 0.889 0.05 . 2 . . . . 19 L QD2 . 6980 1 156 . 1 1 19 19 LEU HD22 H 1 0.889 0.05 . 2 . . . . 19 L QD2 . 6980 1 157 . 1 1 19 19 LEU HD23 H 1 0.889 0.05 . 2 . . . . 19 L QD2 . 6980 1 158 . 1 1 19 19 LEU C C 13 178.757 0.15 . 1 . . . . 19 L C . 6980 1 159 . 1 1 19 19 LEU CA C 13 57.061 0.15 . 1 . . . . 19 L CA . 6980 1 160 . 1 1 19 19 LEU CB C 13 41.875 0.15 . 1 . . . . 19 L CB . 6980 1 161 . 1 1 19 19 LEU CG C 13 27.185 0.15 . 1 . . . . 19 L CG . 6980 1 162 . 1 1 19 19 LEU CD1 C 13 24.609 0.15 . 2 . . . . 19 L CD1 . 6980 1 163 . 1 1 19 19 LEU CD2 C 13 23.811 0.15 . 2 . . . . 19 L CD2 . 6980 1 164 . 1 1 19 19 LEU N N 15 121.229 0.15 . 1 . . . . 19 L N . 6980 1 165 . 1 1 20 20 LYS H H 1 8.161 0.05 . 1 . . . . 20 K H . 6980 1 166 . 1 1 20 20 LYS HA H 1 4.048 0.05 . 1 . . . . 20 K HA . 6980 1 167 . 1 1 20 20 LYS HB2 H 1 1.760 0.05 . 2 . . . . 20 K HB2 . 6980 1 168 . 1 1 20 20 LYS HD2 H 1 1.530 0.05 . 2 . . . . 20 K HD2 . 6980 1 169 . 1 1 20 20 LYS HE2 H 1 2.992 0.05 . 2 . . . . 20 K HE2 . 6980 1 170 . 1 1 20 20 LYS C C 13 178.139 0.15 . 1 . . . . 20 K C . 6980 1 171 . 1 1 20 20 LYS CA C 13 58.916 0.15 . 1 . . . . 20 K CA . 6980 1 172 . 1 1 20 20 LYS CB C 13 32.406 0.15 . 1 . . . . 20 K CB . 6980 1 173 . 1 1 20 20 LYS CG C 13 25.114 0.15 . 1 . . . . 20 K CG . 6980 1 174 . 1 1 20 20 LYS CD C 13 29.257 0.15 . 1 . . . . 20 K CD . 6980 1 175 . 1 1 20 20 LYS CE C 13 42.287 0.15 . 1 . . . . 20 K CE . 6980 1 176 . 1 1 20 20 LYS N N 15 121.210 0.15 . 1 . . . . 20 K N . 6980 1 177 . 1 1 21 21 ALA H H 1 8.099 0.05 . 1 . . . . 21 A H . 6980 1 178 . 1 1 21 21 ALA HA H 1 4.236 0.05 . 1 . . . . 21 A HA . 6980 1 179 . 1 1 21 21 ALA HB1 H 1 1.469 0.05 . 1 . . . . 21 A QB . 6980 1 180 . 1 1 21 21 ALA HB2 H 1 1.469 0.05 . 1 . . . . 21 A QB . 6980 1 181 . 1 1 21 21 ALA HB3 H 1 1.469 0.05 . 1 . . . . 21 A QB . 6980 1 182 . 1 1 21 21 ALA C C 13 180.352 0.15 . 1 . . . . 21 A C . 6980 1 183 . 1 1 21 21 ALA CA C 13 54.803 0.15 . 1 . . . . 21 A CA . 6980 1 184 . 1 1 21 21 ALA CB C 13 18.327 0.15 . 1 . . . . 21 A CB . 6980 1 185 . 1 1 21 21 ALA N N 15 121.195 0.15 . 1 . . . . 21 A N . 6980 1 186 . 1 1 22 22 GLN H H 1 7.964 0.05 . 1 . . . . 22 Q H . 6980 1 187 . 1 1 22 22 GLN HA H 1 4.153 0.05 . 1 . . . . 22 Q HA . 6980 1 188 . 1 1 22 22 GLN HB2 H 1 2.243 0.05 . 2 . . . . 22 Q HB2 . 6980 1 189 . 1 1 22 22 GLN HB3 H 1 2.111 0.05 . 2 . . . . 22 Q HB3 . 6980 1 190 . 1 1 22 22 GLN HG2 H 1 2.518 0.05 . 2 . . . . 22 Q HG2 . 6980 1 191 . 1 1 22 22 GLN HG3 H 1 2.402 0.05 . 2 . . . . 22 Q HG3 . 6980 1 192 . 1 1 22 22 GLN HE21 H 1 6.781 0.05 . 2 . . . . 22 Q HE21 . 6980 1 193 . 1 1 22 22 GLN HE22 H 1 7.534 0.05 . 2 . . . . 22 Q HE22 . 6980 1 194 . 1 1 22 22 GLN C C 13 178.859 0.15 . 1 . . . . 22 Q C . 6980 1 195 . 1 1 22 22 GLN CA C 13 58.456 0.15 . 1 . . . . 22 Q CA . 6980 1 196 . 1 1 22 22 GLN CB C 13 28.734 0.15 . 1 . . . . 22 Q CB . 6980 1 197 . 1 1 22 22 GLN CG C 13 34.403 0.15 . 1 . . . . 22 Q CG . 6980 1 198 . 1 1 22 22 GLN N N 15 117.827 0.15 . 1 . . . . 22 Q N . 6980 1 199 . 1 1 22 22 GLN NE2 N 15 111.483 0.15 . 1 . . . . 22 Q NE2 . 6980 1 200 . 1 1 23 23 GLN H H 1 8.218 0.05 . 1 . . . . 23 Q H . 6980 1 201 . 1 1 23 23 GLN HA H 1 4.066 0.05 . 1 . . . . 23 Q HA . 6980 1 202 . 1 1 23 23 GLN HB2 H 1 2.252 0.05 . 2 . . . . 23 Q HB2 . 6980 1 203 . 1 1 23 23 GLN HB3 H 1 2.001 0.05 . 2 . . . . 23 Q HB3 . 6980 1 204 . 1 1 23 23 GLN HG2 H 1 2.397 0.05 . 2 . . . . 23 Q HG2 . 6980 1 205 . 1 1 23 23 GLN HG3 H 1 2.375 0.05 . 2 . . . . 23 Q HG3 . 6980 1 206 . 1 1 23 23 GLN HE21 H 1 7.131 0.05 . 2 . . . . 23 Q HE21 . 6980 1 207 . 1 1 23 23 GLN HE22 H 1 6.779 0.05 . 2 . . . . 23 Q HE22 . 6980 1 208 . 1 1 23 23 GLN C C 13 178.470 0.15 . 1 . . . . 23 Q C . 6980 1 209 . 1 1 23 23 GLN CA C 13 58.492 0.15 . 1 . . . . 23 Q CA . 6980 1 210 . 1 1 23 23 GLN CB C 13 28.128 0.15 . 1 . . . . 23 Q CB . 6980 1 211 . 1 1 23 23 GLN CG C 13 33.701 0.15 . 1 . . . . 23 Q CG . 6980 1 212 . 1 1 23 23 GLN N N 15 119.534 0.15 . 1 . . . . 23 Q N . 6980 1 213 . 1 1 23 23 GLN NE2 N 15 110.242 0.15 . 1 . . . . 23 Q NE2 . 6980 1 214 . 1 1 24 24 GLU H H 1 8.383 0.05 . 1 . . . . 24 E H . 6980 1 215 . 1 1 24 24 GLU HA H 1 3.727 0.05 . 1 . . . . 24 E HA . 6980 1 216 . 1 1 24 24 GLU HB3 H 1 2.073 0.05 . 2 . . . . 24 E HB3 . 6980 1 217 . 1 1 24 24 GLU HG3 H 1 2.315 0.05 . 2 . . . . 24 E HG3 . 6980 1 218 . 1 1 24 24 GLU C C 13 177.644 0.15 . 1 . . . . 24 E C . 6980 1 219 . 1 1 24 24 GLU CA C 13 60.532 0.15 . 1 . . . . 24 E CA . 6980 1 220 . 1 1 24 24 GLU CB C 13 29.417 0.15 . 1 . . . . 24 E CB . 6980 1 221 . 1 1 24 24 GLU CG C 13 37.089 0.15 . 1 . . . . 24 E CG . 6980 1 222 . 1 1 24 24 GLU N N 15 119.575 0.15 . 1 . . . . 24 E N . 6980 1 223 . 1 1 25 25 GLU H H 1 7.873 0.05 . 1 . . . . 25 E H . 6980 1 224 . 1 1 25 25 GLU HA H 1 4.116 0.05 . 1 . . . . 25 E HA . 6980 1 225 . 1 1 25 25 GLU HB3 H 1 2.127 0.05 . 2 . . . . 25 E HB3 . 6980 1 226 . 1 1 25 25 GLU HG2 H 1 2.457 0.05 . 2 . . . . 25 E HG2 . 6980 1 227 . 1 1 25 25 GLU HG3 H 1 2.356 0.05 . 2 . . . . 25 E HG3 . 6980 1 228 . 1 1 25 25 GLU C C 13 179.287 0.15 . 1 . . . . 25 E C . 6980 1 229 . 1 1 25 25 GLU CA C 13 59.472 0.15 . 1 . . . . 25 E CA . 6980 1 230 . 1 1 25 25 GLU CB C 13 29.603 0.15 . 1 . . . . 25 E CB . 6980 1 231 . 1 1 25 25 GLU CG C 13 36.499 0.15 . 1 . . . . 25 E CG . 6980 1 232 . 1 1 25 25 GLU N N 15 117.954 0.15 . 1 . . . . 25 E N . 6980 1 233 . 1 1 26 26 ARG H H 1 7.541 0.05 . 1 . . . . 26 R H . 6980 1 234 . 1 1 26 26 ARG HA H 1 4.182 0.05 . 1 . . . . 26 R HA . 6980 1 235 . 1 1 26 26 ARG HB3 H 1 2.007 0.05 . 2 . . . . 26 R HB3 . 6980 1 236 . 1 1 26 26 ARG HG2 H 1 1.713 0.05 . 2 . . . . 26 R HG2 . 6980 1 237 . 1 1 26 26 ARG HG3 H 1 1.784 0.05 . 2 . . . . 26 R HG3 . 6980 1 238 . 1 1 26 26 ARG HD2 H 1 3.310 0.05 . 2 . . . . 26 R HD2 . 6980 1 239 . 1 1 26 26 ARG C C 13 179.131 0.15 . 1 . . . . 26 R C . 6980 1 240 . 1 1 26 26 ARG CA C 13 58.879 0.15 . 1 . . . . 26 R CA . 6980 1 241 . 1 1 26 26 ARG CB C 13 29.985 0.15 . 1 . . . . 26 R CB . 6980 1 242 . 1 1 26 26 ARG CG C 13 27.310 0.15 . 1 . . . . 26 R CG . 6980 1 243 . 1 1 26 26 ARG CD C 13 43.375 0.15 . 1 . . . . 26 R CD . 6980 1 244 . 1 1 26 26 ARG N N 15 118.958 0.15 . 1 . . . . 26 R N . 6980 1 245 . 1 1 27 27 LEU H H 1 7.747 0.05 . 1 . . . . 27 L H . 6980 1 246 . 1 1 27 27 LEU HA H 1 3.891 0.05 . 1 . . . . 27 L HA . 6980 1 247 . 1 1 27 27 LEU HB2 H 1 1.701 0.05 . 2 . . . . 27 L HB2 . 6980 1 248 . 1 1 27 27 LEU HB3 H 1 0.831 0.05 . 2 . . . . 27 L HB3 . 6980 1 249 . 1 1 27 27 LEU HG H 1 1.757 0.05 . 1 . . . . 27 L HG . 6980 1 250 . 1 1 27 27 LEU HD11 H 1 0.611 0.05 . 2 . . . . 27 L QD1 . 6980 1 251 . 1 1 27 27 LEU HD12 H 1 0.611 0.05 . 2 . . . . 27 L QD1 . 6980 1 252 . 1 1 27 27 LEU HD13 H 1 0.611 0.05 . 2 . . . . 27 L QD1 . 6980 1 253 . 1 1 27 27 LEU HD21 H 1 0.164 0.05 . 2 . . . . 27 L QD2 . 6980 1 254 . 1 1 27 27 LEU HD22 H 1 0.164 0.05 . 2 . . . . 27 L QD2 . 6980 1 255 . 1 1 27 27 LEU HD23 H 1 0.164 0.05 . 2 . . . . 27 L QD2 . 6980 1 256 . 1 1 27 27 LEU C C 13 179.152 0.15 . 1 . . . . 27 L C . 6980 1 257 . 1 1 27 27 LEU CA C 13 58.169 0.15 . 1 . . . . 27 L CA . 6980 1 258 . 1 1 27 27 LEU CB C 13 39.210 0.15 . 1 . . . . 27 L CB . 6980 1 259 . 1 1 27 27 LEU CG C 13 25.796 0.15 . 1 . . . . 27 L CG . 6980 1 260 . 1 1 27 27 LEU CD1 C 13 26.592 0.15 . 2 . . . . 27 L CD1 . 6980 1 261 . 1 1 27 27 LEU CD2 C 13 21.642 0.15 . 2 . . . . 27 L CD2 . 6980 1 262 . 1 1 27 27 LEU N N 15 118.801 0.15 . 1 . . . . 27 L N . 6980 1 263 . 1 1 28 28 ASP H H 1 8.434 0.05 . 1 . . . . 28 D H . 6980 1 264 . 1 1 28 28 ASP HA H 1 4.413 0.05 . 1 . . . . 28 D HA . 6980 1 265 . 1 1 28 28 ASP HB2 H 1 2.647 0.05 . 2 . . . . 28 D HB2 . 6980 1 266 . 1 1 28 28 ASP HB3 H 1 2.910 0.05 . 2 . . . . 28 D HB3 . 6980 1 267 . 1 1 28 28 ASP C C 13 179.473 0.15 . 1 . . . . 28 D C . 6980 1 268 . 1 1 28 28 ASP CA C 13 57.947 0.15 . 1 . . . . 28 D CA . 6980 1 269 . 1 1 28 28 ASP CB C 13 40.114 0.15 . 1 . . . . 28 D CB . 6980 1 270 . 1 1 28 28 ASP N N 15 119.759 0.15 . 1 . . . . 28 D N . 6980 1 271 . 1 1 29 29 GLU H H 1 7.864 0.05 . 1 . . . . 29 E H . 6980 1 272 . 1 1 29 29 GLU HA H 1 4.109 0.05 . 1 . . . . 29 E HA . 6980 1 273 . 1 1 29 29 GLU HB3 H 1 2.246 0.05 . 2 . . . . 29 E HB3 . 6980 1 274 . 1 1 29 29 GLU HG2 H 1 2.472 0.05 . 2 . . . . 29 E HG2 . 6980 1 275 . 1 1 29 29 GLU HG3 H 1 2.339 0.05 . 2 . . . . 29 E HG3 . 6980 1 276 . 1 1 29 29 GLU C C 13 179.520 0.15 . 1 . . . . 29 E C . 6980 1 277 . 1 1 29 29 GLU CA C 13 59.457 0.15 . 1 . . . . 29 E CA . 6980 1 278 . 1 1 29 29 GLU CB C 13 29.491 0.15 . 1 . . . . 29 E CB . 6980 1 279 . 1 1 29 29 GLU CG C 13 36.352 0.15 . 1 . . . . 29 E CG . 6980 1 280 . 1 1 29 29 GLU N N 15 120.829 0.15 . 1 . . . . 29 E N . 6980 1 281 . 1 1 30 30 ILE H H 1 7.878 0.05 . 1 . . . . 30 I H . 6980 1 282 . 1 1 30 30 ILE HA H 1 3.976 0.05 . 1 . . . . 30 I HA . 6980 1 283 . 1 1 30 30 ILE HB H 1 2.249 0.05 . 1 . . . . 30 I HB . 6980 1 284 . 1 1 30 30 ILE HG12 H 1 1.933 0.05 . 2 . . . . 30 I HG12 . 6980 1 285 . 1 1 30 30 ILE HG21 H 1 1.063 0.05 . 1 . . . . 30 I QG2 . 6980 1 286 . 1 1 30 30 ILE HG22 H 1 1.063 0.05 . 1 . . . . 30 I QG2 . 6980 1 287 . 1 1 30 30 ILE HG23 H 1 1.063 0.05 . 1 . . . . 30 I QG2 . 6980 1 288 . 1 1 30 30 ILE HD11 H 1 1.049 0.05 . 1 . . . . 30 I QD1 . 6980 1 289 . 1 1 30 30 ILE HD12 H 1 1.049 0.05 . 1 . . . . 30 I QD1 . 6980 1 290 . 1 1 30 30 ILE HD13 H 1 1.049 0.05 . 1 . . . . 30 I QD1 . 6980 1 291 . 1 1 30 30 ILE C C 13 178.610 0.15 . 1 . . . . 30 I C . 6980 1 292 . 1 1 30 30 ILE CA C 13 64.678 0.15 . 1 . . . . 30 I CA . 6980 1 293 . 1 1 30 30 ILE CB C 13 37.317 0.15 . 1 . . . . 30 I CB . 6980 1 294 . 1 1 30 30 ILE CG1 C 13 29.161 0.15 . 1 . . . . 30 I CG1 . 6980 1 295 . 1 1 30 30 ILE CG2 C 13 19.301 0.15 . 1 . . . . 30 I CG2 . 6980 1 296 . 1 1 30 30 ILE CD1 C 13 13.347 0.15 . 1 . . . . 30 I CD1 . 6980 1 297 . 1 1 30 30 ILE N N 15 121.880 0.15 . 1 . . . . 30 I N . 6980 1 298 . 1 1 31 31 ASN H H 1 8.928 0.05 . 1 . . . . 31 N H . 6980 1 299 . 1 1 31 31 ASN HA H 1 4.535 0.05 . 1 . . . . 31 N HA . 6980 1 300 . 1 1 31 31 ASN HB2 H 1 3.360 0.05 . 2 . . . . 31 N HB2 . 6980 1 301 . 1 1 31 31 ASN HB3 H 1 2.701 0.05 . 2 . . . . 31 N HB3 . 6980 1 302 . 1 1 31 31 ASN HD21 H 1 8.513 0.05 . 2 . . . . 31 N HD21 . 6980 1 303 . 1 1 31 31 ASN C C 13 177.814 0.15 . 1 . . . . 31 N C . 6980 1 304 . 1 1 31 31 ASN CA C 13 55.928 0.15 . 1 . . . . 31 N CA . 6980 1 305 . 1 1 31 31 ASN CB C 13 36.902 0.15 . 1 . . . . 31 N CB . 6980 1 306 . 1 1 31 31 ASN N N 15 121.134 0.15 . 1 . . . . 31 N N . 6980 1 307 . 1 1 31 31 ASN ND2 N 15 105.370 0.15 . 1 . . . . 31 N ND2 . 6980 1 308 . 1 1 32 32 LYS H H 1 7.888 0.05 . 1 . . . . 32 K H . 6980 1 309 . 1 1 32 32 LYS HA H 1 3.990 0.05 . 1 . . . . 32 K HA . 6980 1 310 . 1 1 32 32 LYS HB2 H 1 2.019 0.05 . 2 . . . . 32 K HB2 . 6980 1 311 . 1 1 32 32 LYS HG2 H 1 1.491 0.05 . 2 . . . . 32 K HG2 . 6980 1 312 . 1 1 32 32 LYS HG3 H 1 1.667 0.05 . 2 . . . . 32 K HG3 . 6980 1 313 . 1 1 32 32 LYS HE2 H 1 2.974 0.05 . 2 . . . . 32 K HE2 . 6980 1 314 . 1 1 32 32 LYS C C 13 178.629 0.15 . 1 . . . . 32 K C . 6980 1 315 . 1 1 32 32 LYS CA C 13 59.792 0.15 . 1 . . . . 32 K CA . 6980 1 316 . 1 1 32 32 LYS CB C 13 32.124 0.15 . 1 . . . . 32 K CB . 6980 1 317 . 1 1 32 32 LYS CG C 13 25.544 0.15 . 1 . . . . 32 K CG . 6980 1 318 . 1 1 32 32 LYS CD C 13 29.232 0.15 . 1 . . . . 32 K CD . 6980 1 319 . 1 1 32 32 LYS CE C 13 42.314 0.15 . 1 . . . . 32 K CE . 6980 1 320 . 1 1 32 32 LYS N N 15 118.484 0.15 . 1 . . . . 32 K N . 6980 1 321 . 1 1 33 33 GLN H H 1 7.737 0.05 . 1 . . . . 33 Q H . 6980 1 322 . 1 1 33 33 GLN HA H 1 4.161 0.05 . 1 . . . . 33 Q HA . 6980 1 323 . 1 1 33 33 GLN HB2 H 1 2.274 0.05 . 2 . . . . 33 Q HB2 . 6980 1 324 . 1 1 33 33 GLN HB3 H 1 2.572 0.05 . 2 . . . . 33 Q HB3 . 6980 1 325 . 1 1 33 33 GLN HG2 H 1 2.688 0.05 . 2 . . . . 33 Q HG2 . 6980 1 326 . 1 1 33 33 GLN HG3 H 1 2.430 0.05 . 2 . . . . 33 Q HG3 . 6980 1 327 . 1 1 33 33 GLN HE21 H 1 7.468 0.05 . 2 . . . . 33 Q HE21 . 6980 1 328 . 1 1 33 33 GLN HE22 H 1 6.729 0.05 . 2 . . . . 33 Q HE22 . 6980 1 329 . 1 1 33 33 GLN C C 13 179.786 0.15 . 1 . . . . 33 Q C . 6980 1 330 . 1 1 33 33 GLN CA C 13 58.843 0.15 . 1 . . . . 33 Q CA . 6980 1 331 . 1 1 33 33 GLN CB C 13 28.085 0.15 . 1 . . . . 33 Q CB . 6980 1 332 . 1 1 33 33 GLN CG C 13 33.941 0.15 . 1 . . . . 33 Q CG . 6980 1 333 . 1 1 33 33 GLN N N 15 118.413 0.15 . 1 . . . . 33 Q N . 6980 1 334 . 1 1 33 33 GLN NE2 N 15 110.685 0.15 . 1 . . . . 33 Q NE2 . 6980 1 335 . 1 1 34 34 PHE H H 1 8.382 0.05 . 1 . . . . 34 F H . 6980 1 336 . 1 1 34 34 PHE HA H 1 4.130 0.05 . 1 . . . . 34 F HA . 6980 1 337 . 1 1 34 34 PHE HB2 H 1 2.544 0.05 . 2 . . . . 34 F HB2 . 6980 1 338 . 1 1 34 34 PHE HB3 H 1 3.317 0.05 . 2 . . . . 34 F HB3 . 6980 1 339 . 1 1 34 34 PHE HD1 H 1 7.049 0.05 . 4 . . . . 34 F QD . 6980 1 340 . 1 1 34 34 PHE HD2 H 1 7.049 0.05 . 4 . . . . 34 F QD . 6980 1 341 . 1 1 34 34 PHE C C 13 177.700 0.15 . 1 . . . . 34 F C . 6980 1 342 . 1 1 34 34 PHE CA C 13 62.382 0.15 . 1 . . . . 34 F CA . 6980 1 343 . 1 1 34 34 PHE CB C 13 39.915 0.15 . 1 . . . . 34 F CB . 6980 1 344 . 1 1 34 34 PHE N N 15 120.821 0.15 . 1 . . . . 34 F N . 6980 1 345 . 1 1 35 35 LEU H H 1 8.138 0.05 . 1 . . . . 35 L H . 6980 1 346 . 1 1 35 35 LEU HA H 1 4.026 0.05 . 1 . . . . 35 L HA . 6980 1 347 . 1 1 35 35 LEU HB2 H 1 1.594 0.05 . 2 . . . . 35 L HB2 . 6980 1 348 . 1 1 35 35 LEU HB3 H 1 1.844 0.05 . 2 . . . . 35 L HB3 . 6980 1 349 . 1 1 35 35 LEU HD21 H 1 0.842 0.05 . 2 . . . . 35 L QD2 . 6980 1 350 . 1 1 35 35 LEU HD22 H 1 0.842 0.05 . 2 . . . . 35 L QD2 . 6980 1 351 . 1 1 35 35 LEU HD23 H 1 0.842 0.05 . 2 . . . . 35 L QD2 . 6980 1 352 . 1 1 35 35 LEU C C 13 177.627 0.15 . 1 . . . . 35 L C . 6980 1 353 . 1 1 35 35 LEU CA C 13 57.529 0.15 . 1 . . . . 35 L CA . 6980 1 354 . 1 1 35 35 LEU CB C 13 41.934 0.15 . 1 . . . . 35 L CB . 6980 1 355 . 1 1 35 35 LEU CG C 13 26.460 0.15 . 1 . . . . 35 L CG . 6980 1 356 . 1 1 35 35 LEU CD1 C 13 25.078 0.15 . 2 . . . . 35 L CD1 . 6980 1 357 . 1 1 35 35 LEU CD2 C 13 24.553 0.15 . 2 . . . . 35 L CD2 . 6980 1 358 . 1 1 35 35 LEU N N 15 117.877 0.15 . 1 . . . . 35 L N . 6980 1 359 . 1 1 36 36 ASP H H 1 7.173 0.05 . 1 . . . . 36 D H . 6980 1 360 . 1 1 36 36 ASP HA H 1 4.792 0.05 . 1 . . . . 36 D HA . 6980 1 361 . 1 1 36 36 ASP HB2 H 1 2.534 0.05 . 2 . . . . 36 D HB2 . 6980 1 362 . 1 1 36 36 ASP HB3 H 1 2.827 0.05 . 2 . . . . 36 D HB3 . 6980 1 363 . 1 1 36 36 ASP C C 13 175.896 0.15 . 1 . . . . 36 D C . 6980 1 364 . 1 1 36 36 ASP CA C 13 53.672 0.15 . 1 . . . . 36 D CA . 6980 1 365 . 1 1 36 36 ASP CB C 13 41.909 0.15 . 1 . . . . 36 D CB . 6980 1 366 . 1 1 36 36 ASP N N 15 115.016 0.15 . 1 . . . . 36 D N . 6980 1 367 . 1 1 37 37 ASP H H 1 7.481 0.05 . 1 . . . . 37 D H . 6980 1 368 . 1 1 37 37 ASP HA H 1 4.839 0.05 . 1 . . . . 37 D HA . 6980 1 369 . 1 1 37 37 ASP HB2 H 1 3.406 0.05 . 2 . . . . 37 D HB2 . 6980 1 370 . 1 1 37 37 ASP HB3 H 1 2.650 0.05 . 2 . . . . 37 D HB3 . 6980 1 371 . 1 1 37 37 ASP CA C 13 51.644 0.15 . 1 . . . . 37 D CA . 6980 1 372 . 1 1 37 37 ASP CB C 13 42.487 0.15 . 1 . . . . 37 D CB . 6980 1 373 . 1 1 37 37 ASP N N 15 124.220 0.15 . 1 . . . . 37 D N . 6980 1 374 . 1 1 38 38 PRO HA H 1 4.551 0.05 . 1 . . . . 38 P HA . 6980 1 375 . 1 1 38 38 PRO HB2 H 1 2.339 0.05 . 2 . . . . 38 P HB2 . 6980 1 376 . 1 1 38 38 PRO HB3 H 1 1.962 0.05 . 2 . . . . 38 P HB3 . 6980 1 377 . 1 1 38 38 PRO HD2 H 1 3.936 0.05 . 2 . . . . 38 P HD2 . 6980 1 378 . 1 1 38 38 PRO HD3 H 1 4.125 0.05 . 2 . . . . 38 P HD3 . 6980 1 379 . 1 1 38 38 PRO C C 13 178.364 0.15 . 1 . . . . 38 P C . 6980 1 380 . 1 1 38 38 PRO CA C 13 64.157 0.15 . 1 . . . . 38 P CA . 6980 1 381 . 1 1 38 38 PRO CB C 13 32.214 0.15 . 1 . . . . 38 P CB . 6980 1 382 . 1 1 38 38 PRO CG C 13 27.158 0.15 . 1 . . . . 38 P CG . 6980 1 383 . 1 1 38 38 PRO CD C 13 51.454 0.15 . 1 . . . . 38 P CD . 6980 1 384 . 1 1 39 39 LYS H H 1 8.683 0.05 . 1 . . . . 39 K H . 6980 1 385 . 1 1 39 39 LYS HA H 1 3.850 0.05 . 1 . . . . 39 K HA . 6980 1 386 . 1 1 39 39 LYS HB2 H 1 0.974 0.05 . 2 . . . . 39 K HB2 . 6980 1 387 . 1 1 39 39 LYS HB3 H 1 1.192 0.05 . 2 . . . . 39 K HB3 . 6980 1 388 . 1 1 39 39 LYS HG2 H 1 0.913 0.05 . 2 . . . . 39 K HG2 . 6980 1 389 . 1 1 39 39 LYS HG3 H 1 1.099 0.05 . 2 . . . . 39 K HG3 . 6980 1 390 . 1 1 39 39 LYS HD2 H 1 1.483 0.05 . 2 . . . . 39 K HD2 . 6980 1 391 . 1 1 39 39 LYS HE2 H 1 2.873 0.05 . 2 . . . . 39 K HE2 . 6980 1 392 . 1 1 39 39 LYS HE3 H 1 2.885 0.05 . 2 . . . . 39 K HE3 . 6980 1 393 . 1 1 39 39 LYS C C 13 177.547 0.15 . 1 . . . . 39 K C . 6980 1 394 . 1 1 39 39 LYS CA C 13 58.785 0.15 . 1 . . . . 39 K CA . 6980 1 395 . 1 1 39 39 LYS CB C 13 31.932 0.15 . 1 . . . . 39 K CB . 6980 1 396 . 1 1 39 39 LYS CG C 13 24.857 0.15 . 1 . . . . 39 K CG . 6980 1 397 . 1 1 39 39 LYS CD C 13 28.946 0.15 . 1 . . . . 39 K CD . 6980 1 398 . 1 1 39 39 LYS CE C 13 41.749 0.15 . 1 . . . . 39 K CE . 6980 1 399 . 1 1 39 39 LYS N N 15 119.257 0.15 . 1 . . . . 39 K N . 6980 1 400 . 1 1 40 40 TYR H H 1 7.664 0.05 . 1 . . . . 40 Y H . 6980 1 401 . 1 1 40 40 TYR HA H 1 4.966 0.05 . 1 . . . . 40 Y HA . 6980 1 402 . 1 1 40 40 TYR HB2 H 1 2.917 0.05 . 2 . . . . 40 Y HB2 . 6980 1 403 . 1 1 40 40 TYR HB3 H 1 3.556 0.05 . 2 . . . . 40 Y HB3 . 6980 1 404 . 1 1 40 40 TYR HD1 H 1 7.191 0.05 . 4 . . . . 40 Y QD . 6980 1 405 . 1 1 40 40 TYR HD2 H 1 7.191 0.05 . 4 . . . . 40 Y QD . 6980 1 406 . 1 1 40 40 TYR HE1 H 1 6.630 0.05 . 4 . . . . 40 Y QE . 6980 1 407 . 1 1 40 40 TYR HE2 H 1 6.630 0.05 . 4 . . . . 40 Y QE . 6980 1 408 . 1 1 40 40 TYR C C 13 177.372 0.15 . 1 . . . . 40 Y C . 6980 1 409 . 1 1 40 40 TYR CA C 13 57.498 0.15 . 1 . . . . 40 Y CA . 6980 1 410 . 1 1 40 40 TYR CB C 13 40.382 0.15 . 1 . . . . 40 Y CB . 6980 1 411 . 1 1 40 40 TYR N N 15 115.114 0.15 . 1 . . . . 40 Y N . 6980 1 412 . 1 1 41 41 SER H H 1 8.063 0.05 . 1 . . . . 41 S H . 6980 1 413 . 1 1 41 41 SER HB2 H 1 3.868 0.05 . 2 . . . . 41 S HB2 . 6980 1 414 . 1 1 41 41 SER C C 13 175.135 0.15 . 1 . . . . 41 S C . 6980 1 415 . 1 1 41 41 SER CA C 13 61.013 0.15 . 1 . . . . 41 S CA . 6980 1 416 . 1 1 41 41 SER CB C 13 63.494 0.15 . 1 . . . . 41 S CB . 6980 1 417 . 1 1 41 41 SER N N 15 113.629 0.15 . 1 . . . . 41 S N . 6980 1 418 . 1 1 42 42 SER H H 1 8.245 0.05 . 1 . . . . 42 S H . 6980 1 419 . 1 1 42 42 SER HA H 1 4.433 0.05 . 1 . . . . 42 S HA . 6980 1 420 . 1 1 42 42 SER HB2 H 1 4.023 0.05 . 2 . . . . 42 S HB2 . 6980 1 421 . 1 1 42 42 SER HB3 H 1 3.931 0.05 . 2 . . . . 42 S HB3 . 6980 1 422 . 1 1 42 42 SER C C 13 174.148 0.15 . 1 . . . . 42 S C . 6980 1 423 . 1 1 42 42 SER CA C 13 59.377 0.15 . 1 . . . . 42 S CA . 6980 1 424 . 1 1 42 42 SER CB C 13 63.144 0.15 . 1 . . . . 42 S CB . 6980 1 425 . 1 1 42 42 SER N N 15 116.127 0.15 . 1 . . . . 42 S N . 6980 1 426 . 1 1 43 43 ASP H H 1 7.643 0.05 . 1 . . . . 43 D H . 6980 1 427 . 1 1 43 43 ASP HA H 1 4.669 0.05 . 1 . . . . 43 D HA . 6980 1 428 . 1 1 43 43 ASP HB2 H 1 3.062 0.05 . 2 . . . . 43 D HB2 . 6980 1 429 . 1 1 43 43 ASP HB3 H 1 2.775 0.05 . 2 . . . . 43 D HB3 . 6980 1 430 . 1 1 43 43 ASP C C 13 177.100 0.15 . 1 . . . . 43 D C . 6980 1 431 . 1 1 43 43 ASP CA C 13 53.714 0.15 . 1 . . . . 43 D CA . 6980 1 432 . 1 1 43 43 ASP CB C 13 41.113 0.15 . 1 . . . . 43 D CB . 6980 1 433 . 1 1 43 43 ASP N N 15 121.688 0.15 . 1 . . . . 43 D N . 6980 1 434 . 1 1 44 44 GLU H H 1 9.130 0.05 . 1 . . . . 44 E H . 6980 1 435 . 1 1 44 44 GLU HA H 1 4.134 0.05 . 1 . . . . 44 E HA . 6980 1 436 . 1 1 44 44 GLU HB2 H 1 2.130 0.05 . 2 . . . . 44 E HB2 . 6980 1 437 . 1 1 44 44 GLU HB3 H 1 2.059 0.05 . 2 . . . . 44 E HB3 . 6980 1 438 . 1 1 44 44 GLU HG2 H 1 2.336 0.05 . 2 . . . . 44 E HG2 . 6980 1 439 . 1 1 44 44 GLU C C 13 176.612 0.15 . 1 . . . . 44 E C . 6980 1 440 . 1 1 44 44 GLU CA C 13 58.338 0.15 . 1 . . . . 44 E CA . 6980 1 441 . 1 1 44 44 GLU CB C 13 29.654 0.15 . 1 . . . . 44 E CB . 6980 1 442 . 1 1 44 44 GLU CG C 13 36.250 0.15 . 1 . . . . 44 E CG . 6980 1 443 . 1 1 44 44 GLU N N 15 128.109 0.15 . 1 . . . . 44 E N . 6980 1 444 . 1 1 45 45 ASP H H 1 8.508 0.05 . 1 . . . . 45 D H . 6980 1 445 . 1 1 45 45 ASP HA H 1 4.953 0.05 . 1 . . . . 45 D HA . 6980 1 446 . 1 1 45 45 ASP HB2 H 1 2.525 0.05 . 2 . . . . 45 D HB2 . 6980 1 447 . 1 1 45 45 ASP HB3 H 1 2.881 0.05 . 2 . . . . 45 D HB3 . 6980 1 448 . 1 1 45 45 ASP C C 13 175.863 0.15 . 1 . . . . 45 D C . 6980 1 449 . 1 1 45 45 ASP CA C 13 53.501 0.15 . 1 . . . . 45 D CA . 6980 1 450 . 1 1 45 45 ASP CB C 13 41.523 0.15 . 1 . . . . 45 D CB . 6980 1 451 . 1 1 45 45 ASP N N 15 117.764 0.15 . 1 . . . . 45 D N . 6980 1 452 . 1 1 46 46 LEU H H 1 7.592 0.05 . 1 . . . . 46 L H . 6980 1 453 . 1 1 46 46 LEU HA H 1 4.011 0.05 . 1 . . . . 46 L HA . 6980 1 454 . 1 1 46 46 LEU HB2 H 1 1.772 0.05 . 2 . . . . 46 L HB2 . 6980 1 455 . 1 1 46 46 LEU HB3 H 1 2.034 0.05 . 2 . . . . 46 L HB3 . 6980 1 456 . 1 1 46 46 LEU HD11 H 1 1.074 0.05 . 2 . . . . 46 L QD1 . 6980 1 457 . 1 1 46 46 LEU HD12 H 1 1.074 0.05 . 2 . . . . 46 L QD1 . 6980 1 458 . 1 1 46 46 LEU HD13 H 1 1.074 0.05 . 2 . . . . 46 L QD1 . 6980 1 459 . 1 1 46 46 LEU HD21 H 1 1.007 0.05 . 2 . . . . 46 L QD2 . 6980 1 460 . 1 1 46 46 LEU HD22 H 1 1.007 0.05 . 2 . . . . 46 L QD2 . 6980 1 461 . 1 1 46 46 LEU HD23 H 1 1.007 0.05 . 2 . . . . 46 L QD2 . 6980 1 462 . 1 1 46 46 LEU CA C 13 59.424 0.15 . 1 . . . . 46 L CA . 6980 1 463 . 1 1 46 46 LEU CB C 13 39.819 0.15 . 1 . . . . 46 L CB . 6980 1 464 . 1 1 46 46 LEU CD1 C 13 27.464 0.15 . 2 . . . . 46 L CD1 . 6980 1 465 . 1 1 46 46 LEU CD2 C 13 24.128 0.15 . 2 . . . . 46 L CD2 . 6980 1 466 . 1 1 46 46 LEU N N 15 121.180 0.15 . 1 . . . . 46 L N . 6980 1 467 . 1 1 47 47 PRO HA H 1 4.101 0.05 . 1 . . . . 47 P HA . 6980 1 468 . 1 1 47 47 PRO HB2 H 1 2.015 0.05 . 2 . . . . 47 P HB2 . 6980 1 469 . 1 1 47 47 PRO HB3 H 1 2.361 0.05 . 2 . . . . 47 P HB3 . 6980 1 470 . 1 1 47 47 PRO HG2 H 1 2.210 0.05 . 2 . . . . 47 P HG2 . 6980 1 471 . 1 1 47 47 PRO HD2 H 1 3.725 0.05 . 2 . . . . 47 P HD2 . 6980 1 472 . 1 1 47 47 PRO C C 13 179.597 0.15 . 1 . . . . 47 P C . 6980 1 473 . 1 1 47 47 PRO CA C 13 67.456 0.15 . 1 . . . . 47 P CA . 6980 1 474 . 1 1 47 47 PRO CB C 13 30.463 0.15 . 1 . . . . 47 P CB . 6980 1 475 . 1 1 47 47 PRO CG C 13 28.704 0.15 . 1 . . . . 47 P CG . 6980 1 476 . 1 1 48 48 SER H H 1 7.541 0.05 . 1 . . . . 48 S H . 6980 1 477 . 1 1 48 48 SER HA H 1 4.186 0.05 . 1 . . . . 48 S HA . 6980 1 478 . 1 1 48 48 SER HB3 H 1 3.859 0.05 . 2 . . . . 48 S HB3 . 6980 1 479 . 1 1 48 48 SER C C 13 177.861 0.15 . 1 . . . . 48 S C . 6980 1 480 . 1 1 48 48 SER CA C 13 61.083 0.15 . 1 . . . . 48 S CA . 6980 1 481 . 1 1 48 48 SER CB C 13 62.511 0.15 . 1 . . . . 48 S CB . 6980 1 482 . 1 1 48 48 SER N N 15 111.719 0.15 . 1 . . . . 48 S N . 6980 1 483 . 1 1 49 49 LYS H H 1 7.974 0.05 . 1 . . . . 49 K H . 6980 1 484 . 1 1 49 49 LYS HA H 1 3.608 0.05 . 1 . . . . 49 K HA . 6980 1 485 . 1 1 49 49 LYS HB2 H 1 1.328 0.05 . 2 . . . . 49 K HB2 . 6980 1 486 . 1 1 49 49 LYS HG2 H 1 1.129 0.05 . 2 . . . . 49 K HG2 . 6980 1 487 . 1 1 49 49 LYS HG3 H 1 1.477 0.05 . 2 . . . . 49 K HG3 . 6980 1 488 . 1 1 49 49 LYS HD2 H 1 1.754 0.05 . 2 . . . . 49 K HD2 . 6980 1 489 . 1 1 49 49 LYS C C 13 178.638 0.15 . 1 . . . . 49 K C . 6980 1 490 . 1 1 49 49 LYS CA C 13 59.518 0.15 . 1 . . . . 49 K CA . 6980 1 491 . 1 1 49 49 LYS CB C 13 32.516 0.15 . 1 . . . . 49 K CB . 6980 1 492 . 1 1 49 49 LYS CG C 13 25.993 0.15 . 1 . . . . 49 K CG . 6980 1 493 . 1 1 49 49 LYS CD C 13 29.779 0.15 . 1 . . . . 49 K CD . 6980 1 494 . 1 1 49 49 LYS CE C 13 42.090 0.15 . 1 . . . . 49 K CE . 6980 1 495 . 1 1 49 49 LYS N N 15 123.951 0.15 . 1 . . . . 49 K N . 6980 1 496 . 1 1 50 50 LEU H H 1 8.518 0.05 . 1 . . . . 50 L H . 6980 1 497 . 1 1 50 50 LEU HA H 1 3.872 0.05 . 1 . . . . 50 L HA . 6980 1 498 . 1 1 50 50 LEU HB2 H 1 1.284 0.05 . 2 . . . . 50 L HB2 . 6980 1 499 . 1 1 50 50 LEU HB3 H 1 1.847 0.05 . 2 . . . . 50 L HB3 . 6980 1 500 . 1 1 50 50 LEU HG H 1 0.832 0.05 . 1 . . . . 50 L HG . 6980 1 501 . 1 1 50 50 LEU HD11 H 1 0.734 0.05 . 2 . . . . 50 L QD1 . 6980 1 502 . 1 1 50 50 LEU HD12 H 1 0.734 0.05 . 2 . . . . 50 L QD1 . 6980 1 503 . 1 1 50 50 LEU HD13 H 1 0.734 0.05 . 2 . . . . 50 L QD1 . 6980 1 504 . 1 1 50 50 LEU C C 13 179.377 0.15 . 1 . . . . 50 L C . 6980 1 505 . 1 1 50 50 LEU CA C 13 58.129 0.15 . 1 . . . . 50 L CA . 6980 1 506 . 1 1 50 50 LEU CB C 13 40.198 0.15 . 1 . . . . 50 L CB . 6980 1 507 . 1 1 50 50 LEU CG C 13 27.832 0.15 . 1 . . . . 50 L CG . 6980 1 508 . 1 1 50 50 LEU CD1 C 13 23.355 0.15 . 2 . . . . 50 L CD1 . 6980 1 509 . 1 1 50 50 LEU N N 15 116.861 0.15 . 1 . . . . 50 L N . 6980 1 510 . 1 1 51 51 GLU H H 1 7.522 0.05 . 1 . . . . 51 E H . 6980 1 511 . 1 1 51 51 GLU HA H 1 3.943 0.05 . 1 . . . . 51 E HA . 6980 1 512 . 1 1 51 51 GLU HB3 H 1 2.068 0.05 . 2 . . . . 51 E HB3 . 6980 1 513 . 1 1 51 51 GLU HG2 H 1 2.531 0.05 . 2 . . . . 51 E HG2 . 6980 1 514 . 1 1 51 51 GLU HG3 H 1 2.346 0.05 . 2 . . . . 51 E HG3 . 6980 1 515 . 1 1 51 51 GLU C C 13 179.028 0.15 . 1 . . . . 51 E C . 6980 1 516 . 1 1 51 51 GLU CA C 13 59.592 0.15 . 1 . . . . 51 E CA . 6980 1 517 . 1 1 51 51 GLU CB C 13 29.193 0.15 . 1 . . . . 51 E CB . 6980 1 518 . 1 1 51 51 GLU CG C 13 35.548 0.15 . 1 . . . . 51 E CG . 6980 1 519 . 1 1 51 51 GLU N N 15 119.165 0.15 . 1 . . . . 51 E N . 6980 1 520 . 1 1 52 52 GLY H H 1 7.598 0.05 . 1 . . . . 52 G H . 6980 1 521 . 1 1 52 52 GLY HA2 H 1 3.826 0.05 . 2 . . . . 52 G HA2 . 6980 1 522 . 1 1 52 52 GLY C C 13 177.520 0.15 . 1 . . . . 52 G C . 6980 1 523 . 1 1 52 52 GLY CA C 13 46.922 0.15 . 1 . . . . 52 G CA . 6980 1 524 . 1 1 52 52 GLY N N 15 105.654 0.15 . 1 . . . . 52 G N . 6980 1 525 . 1 1 53 53 PHE H H 1 8.523 0.05 . 1 . . . . 53 F H . 6980 1 526 . 1 1 53 53 PHE HA H 1 4.931 0.05 . 1 . . . . 53 F HA . 6980 1 527 . 1 1 53 53 PHE HB2 H 1 3.347 0.05 . 2 . . . . 53 F HB2 . 6980 1 528 . 1 1 53 53 PHE HB3 H 1 3.194 0.05 . 2 . . . . 53 F HB3 . 6980 1 529 . 1 1 53 53 PHE HD1 H 1 6.973 0.05 . 4 . . . . 53 F QD . 6980 1 530 . 1 1 53 53 PHE HD2 H 1 6.973 0.05 . 4 . . . . 53 F QD . 6980 1 531 . 1 1 53 53 PHE HE1 H 1 6.570 0.05 . 4 . . . . 53 F QE . 6980 1 532 . 1 1 53 53 PHE HE2 H 1 6.570 0.05 . 4 . . . . 53 F QE . 6980 1 533 . 1 1 53 53 PHE C C 13 177.755 0.15 . 1 . . . . 53 F C . 6980 1 534 . 1 1 53 53 PHE CA C 13 58.361 0.15 . 1 . . . . 53 F CA . 6980 1 535 . 1 1 53 53 PHE CB C 13 37.331 0.15 . 1 . . . . 53 F CB . 6980 1 536 . 1 1 53 53 PHE N N 15 122.382 0.15 . 1 . . . . 53 F N . 6980 1 537 . 1 1 54 54 LYS H H 1 8.484 0.05 . 1 . . . . 54 K H . 6980 1 538 . 1 1 54 54 LYS HA H 1 4.091 0.05 . 1 . . . . 54 K HA . 6980 1 539 . 1 1 54 54 LYS HB2 H 1 2.089 0.05 . 2 . . . . 54 K HB2 . 6980 1 540 . 1 1 54 54 LYS HG2 H 1 1.142 0.05 . 2 . . . . 54 K HG2 . 6980 1 541 . 1 1 54 54 LYS HD2 H 1 1.664 0.05 . 2 . . . . 54 K HD2 . 6980 1 542 . 1 1 54 54 LYS C C 13 177.599 0.15 . 1 . . . . 54 K C . 6980 1 543 . 1 1 54 54 LYS CA C 13 60.362 0.15 . 1 . . . . 54 K CA . 6980 1 544 . 1 1 54 54 LYS CB C 13 32.214 0.15 . 1 . . . . 54 K CB . 6980 1 545 . 1 1 54 54 LYS CG C 13 25.381 0.15 . 1 . . . . 54 K CG . 6980 1 546 . 1 1 54 54 LYS CD C 13 29.470 0.15 . 1 . . . . 54 K CD . 6980 1 547 . 1 1 54 54 LYS CE C 13 41.861 0.15 . 1 . . . . 54 K CE . 6980 1 548 . 1 1 54 54 LYS N N 15 124.295 0.15 . 1 . . . . 54 K N . 6980 1 549 . 1 1 55 55 GLU H H 1 7.643 0.05 . 1 . . . . 55 E H . 6980 1 550 . 1 1 55 55 GLU HA H 1 3.938 0.05 . 1 . . . . 55 E HA . 6980 1 551 . 1 1 55 55 GLU HB3 H 1 2.204 0.05 . 2 . . . . 55 E HB3 . 6980 1 552 . 1 1 55 55 GLU HG3 H 1 2.532 0.05 . 2 . . . . 55 E HG3 . 6980 1 553 . 1 1 55 55 GLU C C 13 179.397 0.15 . 1 . . . . 55 E C . 6980 1 554 . 1 1 55 55 GLU CA C 13 59.518 0.15 . 1 . . . . 55 E CA . 6980 1 555 . 1 1 55 55 GLU CB C 13 29.455 0.15 . 1 . . . . 55 E CB . 6980 1 556 . 1 1 55 55 GLU CG C 13 36.348 0.15 . 1 . . . . 55 E CG . 6980 1 557 . 1 1 55 55 GLU N N 15 117.130 0.15 . 1 . . . . 55 E N . 6980 1 558 . 1 1 56 56 LYS H H 1 8.018 0.05 . 1 . . . . 56 K H . 6980 1 559 . 1 1 56 56 LYS HA H 1 4.246 0.05 . 1 . . . . 56 K HA . 6980 1 560 . 1 1 56 56 LYS HB2 H 1 2.361 0.05 . 2 . . . . 56 K HB2 . 6980 1 561 . 1 1 56 56 LYS HB3 H 1 2.312 0.05 . 2 . . . . 56 K HB3 . 6980 1 562 . 1 1 56 56 LYS HG2 H 1 1.791 0.05 . 2 . . . . 56 K HG2 . 6980 1 563 . 1 1 56 56 LYS HG3 H 1 1.894 0.05 . 2 . . . . 56 K HG3 . 6980 1 564 . 1 1 56 56 LYS HE2 H 1 3.032 0.05 . 2 . . . . 56 K HE2 . 6980 1 565 . 1 1 56 56 LYS C C 13 178.984 0.15 . 1 . . . . 56 K C . 6980 1 566 . 1 1 56 56 LYS CA C 13 58.088 0.15 . 1 . . . . 56 K CA . 6980 1 567 . 1 1 56 56 LYS CB C 13 31.701 0.15 . 1 . . . . 56 K CB . 6980 1 568 . 1 1 56 56 LYS CG C 13 24.620 0.15 . 1 . . . . 56 K CG . 6980 1 569 . 1 1 56 56 LYS CD C 13 27.892 0.15 . 1 . . . . 56 K CD . 6980 1 570 . 1 1 56 56 LYS CE C 13 41.379 0.15 . 1 . . . . 56 K CE . 6980 1 571 . 1 1 56 56 LYS N N 15 117.807 0.15 . 1 . . . . 56 K N . 6980 1 572 . 1 1 57 57 TYR H H 1 8.740 0.05 . 1 . . . . 57 Y H . 6980 1 573 . 1 1 57 57 TYR HA H 1 3.615 0.05 . 1 . . . . 57 Y HA . 6980 1 574 . 1 1 57 57 TYR HB3 H 1 2.893 0.05 . 2 . . . . 57 Y HB3 . 6980 1 575 . 1 1 57 57 TYR HD1 H 1 6.539 0.05 . 4 . . . . 57 Y QD . 6980 1 576 . 1 1 57 57 TYR HD2 H 1 6.539 0.05 . 4 . . . . 57 Y QD . 6980 1 577 . 1 1 57 57 TYR HE1 H 1 6.411 0.05 . 4 . . . . 57 Y QE . 6980 1 578 . 1 1 57 57 TYR HE2 H 1 6.411 0.05 . 4 . . . . 57 Y QE . 6980 1 579 . 1 1 57 57 TYR HH H 1 8.946 0.05 . 1 . . . . 57 Y HH . 6980 1 580 . 1 1 57 57 TYR C C 13 176.710 0.15 . 1 . . . . 57 Y C . 6980 1 581 . 1 1 57 57 TYR CA C 13 62.237 0.15 . 1 . . . . 57 Y CA . 6980 1 582 . 1 1 57 57 TYR CB C 13 39.393 0.15 . 1 . . . . 57 Y CB . 6980 1 583 . 1 1 57 57 TYR N N 15 121.830 0.15 . 1 . . . . 57 Y N . 6980 1 584 . 1 1 58 58 MET H H 1 7.814 0.05 . 1 . . . . 58 M H . 6980 1 585 . 1 1 58 58 MET HA H 1 4.172 0.05 . 1 . . . . 58 M HA . 6980 1 586 . 1 1 58 58 MET HB2 H 1 2.255 0.05 . 2 . . . . 58 M HB2 . 6980 1 587 . 1 1 58 58 MET HB3 H 1 2.300 0.05 . 2 . . . . 58 M HB3 . 6980 1 588 . 1 1 58 58 MET HG2 H 1 2.872 0.05 . 2 . . . . 58 M HG2 . 6980 1 589 . 1 1 58 58 MET HG3 H 1 2.292 0.05 . 2 . . . . 58 M HG3 . 6980 1 590 . 1 1 58 58 MET HE1 H 1 2.057 0.05 . 1 . . . . 58 M QE . 6980 1 591 . 1 1 58 58 MET HE2 H 1 2.057 0.05 . 1 . . . . 58 M QE . 6980 1 592 . 1 1 58 58 MET HE3 H 1 2.057 0.05 . 1 . . . . 58 M QE . 6980 1 593 . 1 1 58 58 MET C C 13 177.062 0.15 . 1 . . . . 58 M C . 6980 1 594 . 1 1 58 58 MET CA C 13 57.046 0.15 . 1 . . . . 58 M CA . 6980 1 595 . 1 1 58 58 MET CB C 13 32.412 0.15 . 1 . . . . 58 M CB . 6980 1 596 . 1 1 58 58 MET CG C 13 33.052 0.15 . 1 . . . . 58 M CG . 6980 1 597 . 1 1 58 58 MET CE C 13 16.271 0.15 . 1 . . . . 58 M CE . 6980 1 598 . 1 1 58 58 MET N N 15 110.404 0.15 . 1 . . . . 58 M N . 6980 1 599 . 1 1 59 59 GLU H H 1 7.599 0.05 . 1 . . . . 59 E H . 6980 1 600 . 1 1 59 59 GLU HA H 1 4.050 0.05 . 1 . . . . 59 E HA . 6980 1 601 . 1 1 59 59 GLU HB3 H 1 1.903 0.05 . 2 . . . . 59 E HB3 . 6980 1 602 . 1 1 59 59 GLU HG2 H 1 2.764 0.05 . 2 . . . . 59 E HG2 . 6980 1 603 . 1 1 59 59 GLU HG3 H 1 2.175 0.05 . 2 . . . . 59 E HG3 . 6980 1 604 . 1 1 59 59 GLU C C 13 178.343 0.15 . 1 . . . . 59 E C . 6980 1 605 . 1 1 59 59 GLU CA C 13 58.008 0.15 . 1 . . . . 59 E CA . 6980 1 606 . 1 1 59 59 GLU CB C 13 30.238 0.15 . 1 . . . . 59 E CB . 6980 1 607 . 1 1 59 59 GLU CG C 13 36.960 0.15 . 1 . . . . 59 E CG . 6980 1 608 . 1 1 59 59 GLU N N 15 118.144 0.15 . 1 . . . . 59 E N . 6980 1 609 . 1 1 60 60 PHE H H 1 7.662 0.05 . 1 . . . . 60 F H . 6980 1 610 . 1 1 60 60 PHE HA H 1 4.179 0.05 . 1 . . . . 60 F HA . 6980 1 611 . 1 1 60 60 PHE HB2 H 1 2.797 0.05 . 2 . . . . 60 F HB2 . 6980 1 612 . 1 1 60 60 PHE HB3 H 1 2.488 0.05 . 2 . . . . 60 F HB3 . 6980 1 613 . 1 1 60 60 PHE HD1 H 1 7.362 0.05 . 4 . . . . 60 F QD . 6980 1 614 . 1 1 60 60 PHE HD2 H 1 7.362 0.05 . 4 . . . . 60 F QD . 6980 1 615 . 1 1 60 60 PHE HE1 H 1 7.033 0.05 . 4 . . . . 60 F QE . 6980 1 616 . 1 1 60 60 PHE HE2 H 1 7.033 0.05 . 4 . . . . 60 F QE . 6980 1 617 . 1 1 60 60 PHE C C 13 175.322 0.15 . 1 . . . . 60 F C . 6980 1 618 . 1 1 60 60 PHE CA C 13 57.697 0.15 . 1 . . . . 60 F CA . 6980 1 619 . 1 1 60 60 PHE CB C 13 39.865 0.15 . 1 . . . . 60 F CB . 6980 1 620 . 1 1 60 60 PHE N N 15 118.369 0.15 . 1 . . . . 60 F N . 6980 1 621 . 1 1 61 61 ASP H H 1 8.422 0.05 . 1 . . . . 61 D H . 6980 1 622 . 1 1 61 61 ASP HA H 1 4.541 0.05 . 1 . . . . 61 D HA . 6980 1 623 . 1 1 61 61 ASP HB2 H 1 2.662 0.05 . 2 . . . . 61 D HB2 . 6980 1 624 . 1 1 61 61 ASP HB3 H 1 2.494 0.05 . 2 . . . . 61 D HB3 . 6980 1 625 . 1 1 61 61 ASP C C 13 176.336 0.15 . 1 . . . . 61 D C . 6980 1 626 . 1 1 61 61 ASP CA C 13 54.350 0.15 . 1 . . . . 61 D CA . 6980 1 627 . 1 1 61 61 ASP CB C 13 40.553 0.15 . 1 . . . . 61 D CB . 6980 1 628 . 1 1 61 61 ASP N N 15 118.398 0.15 . 1 . . . . 61 D N . 6980 1 629 . 1 1 62 62 LEU H H 1 8.622 0.05 . 1 . . . . 62 L H . 6980 1 630 . 1 1 62 62 LEU HA H 1 4.431 0.05 . 1 . . . . 62 L HA . 6980 1 631 . 1 1 62 62 LEU HB2 H 1 1.104 0.05 . 2 . . . . 62 L HB2 . 6980 1 632 . 1 1 62 62 LEU HB3 H 1 1.706 0.05 . 2 . . . . 62 L HB3 . 6980 1 633 . 1 1 62 62 LEU HG H 1 1.576 0.05 . 1 . . . . 62 L HG . 6980 1 634 . 1 1 62 62 LEU HD11 H 1 0.741 0.05 . 2 . . . . 62 L QD1 . 6980 1 635 . 1 1 62 62 LEU HD12 H 1 0.741 0.05 . 2 . . . . 62 L QD1 . 6980 1 636 . 1 1 62 62 LEU HD13 H 1 0.741 0.05 . 2 . . . . 62 L QD1 . 6980 1 637 . 1 1 62 62 LEU HD21 H 1 0.177 0.05 . 2 . . . . 62 L QD2 . 6980 1 638 . 1 1 62 62 LEU HD22 H 1 0.177 0.05 . 2 . . . . 62 L QD2 . 6980 1 639 . 1 1 62 62 LEU HD23 H 1 0.177 0.05 . 2 . . . . 62 L QD2 . 6980 1 640 . 1 1 62 62 LEU C C 13 177.437 0.15 . 1 . . . . 62 L C . 6980 1 641 . 1 1 62 62 LEU CA C 13 53.972 0.15 . 1 . . . . 62 L CA . 6980 1 642 . 1 1 62 62 LEU CB C 13 43.563 0.15 . 1 . . . . 62 L CB . 6980 1 643 . 1 1 62 62 LEU CG C 13 27.244 0.15 . 1 . . . . 62 L CG . 6980 1 644 . 1 1 62 62 LEU CD1 C 13 24.876 0.15 . 2 . . . . 62 L CD1 . 6980 1 645 . 1 1 62 62 LEU CD2 C 13 23.454 0.15 . 2 . . . . 62 L CD2 . 6980 1 646 . 1 1 62 62 LEU N N 15 126.599 0.15 . 1 . . . . 62 L N . 6980 1 647 . 1 1 63 63 ASN H H 1 8.635 0.05 . 1 . . . . 63 N H . 6980 1 648 . 1 1 63 63 ASN HA H 1 4.762 0.05 . 1 . . . . 63 N HA . 6980 1 649 . 1 1 63 63 ASN HB2 H 1 2.957 0.05 . 2 . . . . 63 N HB2 . 6980 1 650 . 1 1 63 63 ASN HB3 H 1 3.470 0.05 . 2 . . . . 63 N HB3 . 6980 1 651 . 1 1 63 63 ASN HD21 H 1 7.929 0.05 . 2 . . . . 63 N HD21 . 6980 1 652 . 1 1 63 63 ASN HD22 H 1 8.180 0.05 . 2 . . . . 63 N HD22 . 6980 1 653 . 1 1 63 63 ASN C C 13 177.859 0.15 . 1 . . . . 63 N C . 6980 1 654 . 1 1 63 63 ASN CA C 13 50.738 0.15 . 1 . . . . 63 N CA . 6980 1 655 . 1 1 63 63 ASN CB C 13 37.950 0.15 . 1 . . . . 63 N CB . 6980 1 656 . 1 1 63 63 ASN N N 15 120.301 0.15 . 1 . . . . 63 N N . 6980 1 657 . 1 1 63 63 ASN ND2 N 15 111.628 0.15 . 1 . . . . 63 N ND2 . 6980 1 658 . 1 1 64 64 GLY H H 1 8.668 0.05 . 1 . . . . 64 G H . 6980 1 659 . 1 1 64 64 GLY HA2 H 1 3.828 0.05 . 2 . . . . 64 G HA2 . 6980 1 660 . 1 1 64 64 GLY HA3 H 1 3.954 0.05 . 2 . . . . 64 G HA3 . 6980 1 661 . 1 1 64 64 GLY C C 13 174.664 0.15 . 1 . . . . 64 G C . 6980 1 662 . 1 1 64 64 GLY CA C 13 47.081 0.15 . 1 . . . . 64 G CA . 6980 1 663 . 1 1 64 64 GLY N N 15 106.132 0.15 . 1 . . . . 64 G N . 6980 1 664 . 1 1 65 65 ASN H H 1 7.627 0.05 . 1 . . . . 65 N H . 6980 1 665 . 1 1 65 65 ASN HA H 1 4.881 0.05 . 1 . . . . 65 N HA . 6980 1 666 . 1 1 65 65 ASN HB2 H 1 2.567 0.05 . 2 . . . . 65 N HB2 . 6980 1 667 . 1 1 65 65 ASN HB3 H 1 2.885 0.05 . 2 . . . . 65 N HB3 . 6980 1 668 . 1 1 65 65 ASN HD21 H 1 6.874 0.05 . 2 . . . . 65 N HD21 . 6980 1 669 . 1 1 65 65 ASN HD22 H 1 8.078 0.05 . 2 . . . . 65 N HD22 . 6980 1 670 . 1 1 65 65 ASN C C 13 175.175 0.15 . 1 . . . . 65 N C . 6980 1 671 . 1 1 65 65 ASN CA C 13 52.659 0.15 . 1 . . . . 65 N CA . 6980 1 672 . 1 1 65 65 ASN CB C 13 39.852 0.15 . 1 . . . . 65 N CB . 6980 1 673 . 1 1 65 65 ASN N N 15 116.181 0.15 . 1 . . . . 65 N N . 6980 1 674 . 1 1 65 65 ASN ND2 N 15 114.925 0.15 . 1 . . . . 65 N ND2 . 6980 1 675 . 1 1 66 66 GLY H H 1 8.290 0.05 . 1 . . . . 66 G H . 6980 1 676 . 1 1 66 66 GLY HA2 H 1 3.533 0.05 . 2 . . . . 66 G HA2 . 6980 1 677 . 1 1 66 66 GLY HA3 H 1 4.233 0.05 . 2 . . . . 66 G HA3 . 6980 1 678 . 1 1 66 66 GLY C C 13 173.876 0.15 . 1 . . . . 66 G C . 6980 1 679 . 1 1 66 66 GLY CA C 13 45.564 0.15 . 1 . . . . 66 G CA . 6980 1 680 . 1 1 66 66 GLY N N 15 107.690 0.15 . 1 . . . . 66 G N . 6980 1 681 . 1 1 67 67 ASP H H 1 7.785 0.05 . 1 . . . . 67 D H . 6980 1 682 . 1 1 67 67 ASP HA H 1 4.970 0.05 . 1 . . . . 67 D HA . 6980 1 683 . 1 1 67 67 ASP HB2 H 1 2.459 0.05 . 2 . . . . 67 D HB2 . 6980 1 684 . 1 1 67 67 ASP C C 13 174.553 0.15 . 1 . . . . 67 D C . 6980 1 685 . 1 1 67 67 ASP CA C 13 53.659 0.15 . 1 . . . . 67 D CA . 6980 1 686 . 1 1 67 67 ASP CB C 13 42.579 0.15 . 1 . . . . 67 D CB . 6980 1 687 . 1 1 67 67 ASP N N 15 122.044 0.15 . 1 . . . . 67 D N . 6980 1 688 . 1 1 68 68 ILE H H 1 8.335 0.05 . 1 . . . . 68 I H . 6980 1 689 . 1 1 68 68 ILE HA H 1 3.756 0.05 . 1 . . . . 68 I HA . 6980 1 690 . 1 1 68 68 ILE HB H 1 0.062 0.05 . 1 . . . . 68 I HB . 6980 1 691 . 1 1 68 68 ILE HG12 H 1 0.232 0.05 . 2 . . . . 68 I HG12 . 6980 1 692 . 1 1 68 68 ILE HG13 H 1 0.430 0.05 . 2 . . . . 68 I HG13 . 6980 1 693 . 1 1 68 68 ILE HG21 H 1 0.365 0.05 . 1 . . . . 68 I QG2 . 6980 1 694 . 1 1 68 68 ILE HG22 H 1 0.365 0.05 . 1 . . . . 68 I QG2 . 6980 1 695 . 1 1 68 68 ILE HG23 H 1 0.365 0.05 . 1 . . . . 68 I QG2 . 6980 1 696 . 1 1 68 68 ILE HD11 H 1 -0.739 0.05 . 1 . . . . 68 I QD1 . 6980 1 697 . 1 1 68 68 ILE HD12 H 1 -0.739 0.05 . 1 . . . . 68 I QD1 . 6980 1 698 . 1 1 68 68 ILE HD13 H 1 -0.739 0.05 . 1 . . . . 68 I QD1 . 6980 1 699 . 1 1 68 68 ILE C C 13 174.368 0.15 . 1 . . . . 68 I C . 6980 1 700 . 1 1 68 68 ILE CA C 13 61.135 0.15 . 1 . . . . 68 I CA . 6980 1 701 . 1 1 68 68 ILE CB C 13 37.393 0.15 . 1 . . . . 68 I CB . 6980 1 702 . 1 1 68 68 ILE CG1 C 13 28.047 0.15 . 1 . . . . 68 I CG1 . 6980 1 703 . 1 1 68 68 ILE CG2 C 13 17.613 0.15 . 1 . . . . 68 I CG2 . 6980 1 704 . 1 1 68 68 ILE CD1 C 13 12.906 0.15 . 1 . . . . 68 I CD1 . 6980 1 705 . 1 1 68 68 ILE N N 15 121.402 0.15 . 1 . . . . 68 I N . 6980 1 706 . 1 1 69 69 ASP H H 1 7.797 0.05 . 1 . . . . 69 D H . 6980 1 707 . 1 1 69 69 ASP HA H 1 5.148 0.05 . 1 . . . . 69 D HA . 6980 1 708 . 1 1 69 69 ASP HB2 H 1 3.359 0.05 . 2 . . . . 69 D HB2 . 6980 1 709 . 1 1 69 69 ASP HB3 H 1 2.468 0.05 . 2 . . . . 69 D HB3 . 6980 1 710 . 1 1 69 69 ASP C C 13 176.372 0.15 . 1 . . . . 69 D C . 6980 1 711 . 1 1 69 69 ASP CA C 13 50.859 0.15 . 1 . . . . 69 D CA . 6980 1 712 . 1 1 69 69 ASP CB C 13 43.353 0.15 . 1 . . . . 69 D CB . 6980 1 713 . 1 1 69 69 ASP N N 15 124.669 0.15 . 1 . . . . 69 D N . 6980 1 714 . 1 1 70 70 ILE H H 1 7.938 0.05 . 1 . . . . 70 I H . 6980 1 715 . 1 1 70 70 ILE HA H 1 3.726 0.05 . 1 . . . . 70 I HA . 6980 1 716 . 1 1 70 70 ILE HB H 1 1.833 0.05 . 1 . . . . 70 I HB . 6980 1 717 . 1 1 70 70 ILE HG12 H 1 1.104 0.05 . 2 . . . . 70 I HG12 . 6980 1 718 . 1 1 70 70 ILE HG13 H 1 1.758 0.05 . 2 . . . . 70 I HG13 . 6980 1 719 . 1 1 70 70 ILE HG21 H 1 0.979 0.05 . 1 . . . . 70 I QG2 . 6980 1 720 . 1 1 70 70 ILE HG22 H 1 0.979 0.05 . 1 . . . . 70 I QG2 . 6980 1 721 . 1 1 70 70 ILE HG23 H 1 0.979 0.05 . 1 . . . . 70 I QG2 . 6980 1 722 . 1 1 70 70 ILE HD11 H 1 0.795 0.05 . 1 . . . . 70 I QD1 . 6980 1 723 . 1 1 70 70 ILE HD12 H 1 0.795 0.05 . 1 . . . . 70 I QD1 . 6980 1 724 . 1 1 70 70 ILE HD13 H 1 0.795 0.05 . 1 . . . . 70 I QD1 . 6980 1 725 . 1 1 70 70 ILE C C 13 176.663 0.15 . 1 . . . . 70 I C . 6980 1 726 . 1 1 70 70 ILE CA C 13 65.703 0.15 . 1 . . . . 70 I CA . 6980 1 727 . 1 1 70 70 ILE CB C 13 38.313 0.15 . 1 . . . . 70 I CB . 6980 1 728 . 1 1 70 70 ILE CG1 C 13 30.270 0.15 . 1 . . . . 70 I CG1 . 6980 1 729 . 1 1 70 70 ILE CG2 C 13 16.915 0.15 . 1 . . . . 70 I CG2 . 6980 1 730 . 1 1 70 70 ILE CD1 C 13 14.165 0.15 . 1 . . . . 70 I CD1 . 6980 1 731 . 1 1 70 70 ILE N N 15 117.369 0.15 . 1 . . . . 70 I N . 6980 1 732 . 1 1 71 71 MET H H 1 7.711 0.05 . 1 . . . . 71 M H . 6980 1 733 . 1 1 71 71 MET HA H 1 4.379 0.05 . 1 . . . . 71 M HA . 6980 1 734 . 1 1 71 71 MET HB2 H 1 2.208 0.05 . 2 . . . . 71 M HB2 . 6980 1 735 . 1 1 71 71 MET HB3 H 1 2.074 0.05 . 2 . . . . 71 M HB3 . 6980 1 736 . 1 1 71 71 MET HG2 H 1 2.756 0.05 . 2 . . . . 71 M HG2 . 6980 1 737 . 1 1 71 71 MET HG3 H 1 2.643 0.05 . 2 . . . . 71 M HG3 . 6980 1 738 . 1 1 71 71 MET HE1 H 1 2.123 0.05 . 1 . . . . 71 M QE . 6980 1 739 . 1 1 71 71 MET HE2 H 1 2.123 0.05 . 1 . . . . 71 M QE . 6980 1 740 . 1 1 71 71 MET HE3 H 1 2.123 0.05 . 1 . . . . 71 M QE . 6980 1 741 . 1 1 71 71 MET C C 13 178.559 0.15 . 1 . . . . 71 M C . 6980 1 742 . 1 1 71 71 MET CA C 13 57.345 0.15 . 1 . . . . 71 M CA . 6980 1 743 . 1 1 71 71 MET CB C 13 30.914 0.15 . 1 . . . . 71 M CB . 6980 1 744 . 1 1 71 71 MET CG C 13 32.746 0.15 . 1 . . . . 71 M CG . 6980 1 745 . 1 1 71 71 MET CE C 13 17.078 0.15 . 1 . . . . 71 M CE . 6980 1 746 . 1 1 71 71 MET N N 15 119.093 0.15 . 1 . . . . 71 M N . 6980 1 747 . 1 1 72 72 SER H H 1 8.422 0.05 . 1 . . . . 72 S H . 6980 1 748 . 1 1 72 72 SER HA H 1 4.281 0.05 . 1 . . . . 72 S HA . 6980 1 749 . 1 1 72 72 SER HB2 H 1 4.131 0.05 . 2 . . . . 72 S HB2 . 6980 1 750 . 1 1 72 72 SER C C 13 178.974 0.15 . 1 . . . . 72 S C . 6980 1 751 . 1 1 72 72 SER CA C 13 60.796 0.15 . 1 . . . . 72 S CA . 6980 1 752 . 1 1 72 72 SER CB C 13 62.718 0.15 . 1 . . . . 72 S CB . 6980 1 753 . 1 1 72 72 SER N N 15 117.182 0.15 . 1 . . . . 72 S N . 6980 1 754 . 1 1 73 73 LEU H H 1 8.508 0.05 . 1 . . . . 73 L H . 6980 1 755 . 1 1 73 73 LEU HA H 1 4.294 0.05 . 1 . . . . 73 L HA . 6980 1 756 . 1 1 73 73 LEU HB2 H 1 2.082 0.05 . 2 . . . . 73 L HB2 . 6980 1 757 . 1 1 73 73 LEU HB3 H 1 1.506 0.05 . 2 . . . . 73 L HB3 . 6980 1 758 . 1 1 73 73 LEU HG H 1 1.031 0.05 . 1 . . . . 73 L HG . 6980 1 759 . 1 1 73 73 LEU HD11 H 1 1.172 0.05 . 2 . . . . 73 L QD1 . 6980 1 760 . 1 1 73 73 LEU HD12 H 1 1.172 0.05 . 2 . . . . 73 L QD1 . 6980 1 761 . 1 1 73 73 LEU HD13 H 1 1.172 0.05 . 2 . . . . 73 L QD1 . 6980 1 762 . 1 1 73 73 LEU C C 13 177.532 0.15 . 1 . . . . 73 L C . 6980 1 763 . 1 1 73 73 LEU CA C 13 58.052 0.15 . 1 . . . . 73 L CA . 6980 1 764 . 1 1 73 73 LEU CB C 13 42.012 0.15 . 1 . . . . 73 L CB . 6980 1 765 . 1 1 73 73 LEU CG C 13 27.701 0.15 . 1 . . . . 73 L CG . 6980 1 766 . 1 1 73 73 LEU CD1 C 13 24.621 0.15 . 2 . . . . 73 L CD1 . 6980 1 767 . 1 1 73 73 LEU N N 15 120.936 0.15 . 1 . . . . 73 L N . 6980 1 768 . 1 1 74 74 LYS H H 1 8.698 0.05 . 1 . . . . 74 K H . 6980 1 769 . 1 1 74 74 LYS HA H 1 3.867 0.05 . 1 . . . . 74 K HA . 6980 1 770 . 1 1 74 74 LYS HB2 H 1 2.024 0.05 . 2 . . . . 74 K HB2 . 6980 1 771 . 1 1 74 74 LYS HB3 H 1 2.183 0.05 . 2 . . . . 74 K HB3 . 6980 1 772 . 1 1 74 74 LYS HG2 H 1 1.309 0.05 . 2 . . . . 74 K HG2 . 6980 1 773 . 1 1 74 74 LYS HG3 H 1 1.523 0.05 . 2 . . . . 74 K HG3 . 6980 1 774 . 1 1 74 74 LYS HD2 H 1 1.689 0.05 . 2 . . . . 74 K HD2 . 6980 1 775 . 1 1 74 74 LYS HE2 H 1 3.067 0.05 . 2 . . . . 74 K HE2 . 6980 1 776 . 1 1 74 74 LYS C C 13 179.009 0.15 . 1 . . . . 74 K C . 6980 1 777 . 1 1 74 74 LYS CA C 13 59.940 0.15 . 1 . . . . 74 K CA . 6980 1 778 . 1 1 74 74 LYS CB C 13 33.282 0.15 . 1 . . . . 74 K CB . 6980 1 779 . 1 1 74 74 LYS CG C 13 25.049 0.15 . 1 . . . . 74 K CG . 6980 1 780 . 1 1 74 74 LYS CD C 13 30.131 0.15 . 1 . . . . 74 K CD . 6980 1 781 . 1 1 74 74 LYS CE C 13 42.222 0.15 . 1 . . . . 74 K CE . 6980 1 782 . 1 1 74 74 LYS N N 15 119.672 0.15 . 1 . . . . 74 K N . 6980 1 783 . 1 1 75 75 ARG H H 1 8.027 0.05 . 1 . . . . 75 R H . 6980 1 784 . 1 1 75 75 ARG HA H 1 4.121 0.05 . 1 . . . . 75 R HA . 6980 1 785 . 1 1 75 75 ARG HB2 H 1 1.968 0.05 . 2 . . . . 75 R HB2 . 6980 1 786 . 1 1 75 75 ARG HB3 H 1 2.022 0.05 . 2 . . . . 75 R HB3 . 6980 1 787 . 1 1 75 75 ARG HG2 H 1 1.680 0.05 . 2 . . . . 75 R HG2 . 6980 1 788 . 1 1 75 75 ARG HD2 H 1 3.287 0.05 . 2 . . . . 75 R HD2 . 6980 1 789 . 1 1 75 75 ARG C C 13 179.386 0.15 . 1 . . . . 75 R C . 6980 1 790 . 1 1 75 75 ARG CA C 13 59.355 0.15 . 1 . . . . 75 R CA . 6980 1 791 . 1 1 75 75 ARG CB C 13 30.417 0.15 . 1 . . . . 75 R CB . 6980 1 792 . 1 1 75 75 ARG CG C 13 28.154 0.15 . 1 . . . . 75 R CG . 6980 1 793 . 1 1 75 75 ARG CD C 13 43.583 0.15 . 1 . . . . 75 R CD . 6980 1 794 . 1 1 75 75 ARG N N 15 117.345 0.15 . 1 . . . . 75 R N . 6980 1 795 . 1 1 76 76 MET H H 1 8.020 0.05 . 1 . . . . 76 M H . 6980 1 796 . 1 1 76 76 MET HA H 1 4.149 0.05 . 1 . . . . 76 M HA . 6980 1 797 . 1 1 76 76 MET HB2 H 1 2.035 0.05 . 2 . . . . 76 M HB2 . 6980 1 798 . 1 1 76 76 MET HB3 H 1 2.137 0.05 . 2 . . . . 76 M HB3 . 6980 1 799 . 1 1 76 76 MET HE1 H 1 1.290 0.05 . 1 . . . . 76 M QE . 6980 1 800 . 1 1 76 76 MET HE2 H 1 1.290 0.05 . 1 . . . . 76 M QE . 6980 1 801 . 1 1 76 76 MET HE3 H 1 1.290 0.05 . 1 . . . . 76 M QE . 6980 1 802 . 1 1 76 76 MET C C 13 177.795 0.15 . 1 . . . . 76 M C . 6980 1 803 . 1 1 76 76 MET CA C 13 57.636 0.15 . 1 . . . . 76 M CA . 6980 1 804 . 1 1 76 76 MET CB C 13 32.023 0.15 . 1 . . . . 76 M CB . 6980 1 805 . 1 1 76 76 MET CG C 13 31.105 0.15 . 1 . . . . 76 M CG . 6980 1 806 . 1 1 76 76 MET CE C 13 16.663 0.15 . 1 . . . . 76 M CE . 6980 1 807 . 1 1 76 76 MET N N 15 120.282 0.15 . 1 . . . . 76 M N . 6980 1 808 . 1 1 77 77 LEU H H 1 8.540 0.05 . 1 . . . . 77 L H . 6980 1 809 . 1 1 77 77 LEU HA H 1 3.875 0.05 . 1 . . . . 77 L HA . 6980 1 810 . 1 1 77 77 LEU HB2 H 1 1.819 0.05 . 2 . . . . 77 L HB2 . 6980 1 811 . 1 1 77 77 LEU HB3 H 1 2.008 0.05 . 2 . . . . 77 L HB3 . 6980 1 812 . 1 1 77 77 LEU HD11 H 1 0.749 0.05 . 2 . . . . 77 L QD1 . 6980 1 813 . 1 1 77 77 LEU HD12 H 1 0.749 0.05 . 2 . . . . 77 L QD1 . 6980 1 814 . 1 1 77 77 LEU HD13 H 1 0.749 0.05 . 2 . . . . 77 L QD1 . 6980 1 815 . 1 1 77 77 LEU HD21 H 1 0.787 0.05 . 2 . . . . 77 L QD2 . 6980 1 816 . 1 1 77 77 LEU HD22 H 1 0.787 0.05 . 2 . . . . 77 L QD2 . 6980 1 817 . 1 1 77 77 LEU HD23 H 1 0.787 0.05 . 2 . . . . 77 L QD2 . 6980 1 818 . 1 1 77 77 LEU C C 13 179.746 0.15 . 1 . . . . 77 L C . 6980 1 819 . 1 1 77 77 LEU CA C 13 58.455 0.15 . 1 . . . . 77 L CA . 6980 1 820 . 1 1 77 77 LEU CB C 13 38.646 0.15 . 1 . . . . 77 L CB . 6980 1 821 . 1 1 77 77 LEU CD1 C 13 23.028 0.15 . 2 . . . . 77 L CD1 . 6980 1 822 . 1 1 77 77 LEU CD2 C 13 26.099 0.15 . 2 . . . . 77 L CD2 . 6980 1 823 . 1 1 77 77 LEU N N 15 118.098 0.15 . 1 . . . . 77 L N . 6980 1 824 . 1 1 78 78 GLU H H 1 8.227 0.05 . 1 . . . . 78 E H . 6980 1 825 . 1 1 78 78 GLU HA H 1 3.837 0.05 . 1 . . . . 78 E HA . 6980 1 826 . 1 1 78 78 GLU HB2 H 1 2.020 0.05 . 2 . . . . 78 E HB2 . 6980 1 827 . 1 1 78 78 GLU HB3 H 1 2.233 0.05 . 2 . . . . 78 E HB3 . 6980 1 828 . 1 1 78 78 GLU HG2 H 1 2.527 0.05 . 2 . . . . 78 E HG2 . 6980 1 829 . 1 1 78 78 GLU HG3 H 1 2.246 0.05 . 2 . . . . 78 E HG3 . 6980 1 830 . 1 1 78 78 GLU C C 13 180.679 0.15 . 1 . . . . 78 E C . 6980 1 831 . 1 1 78 78 GLU CA C 13 59.923 0.15 . 1 . . . . 78 E CA . 6980 1 832 . 1 1 78 78 GLU CB C 13 29.247 0.15 . 1 . . . . 78 E CB . 6980 1 833 . 1 1 78 78 GLU CG C 13 37.005 0.15 . 1 . . . . 78 E CG . 6980 1 834 . 1 1 78 78 GLU N N 15 119.000 0.15 . 1 . . . . 78 E N . 6980 1 835 . 1 1 79 79 LYS H H 1 7.873 0.05 . 1 . . . . 79 K H . 6980 1 836 . 1 1 79 79 LYS HA H 1 4.031 0.05 . 1 . . . . 79 K HA . 6980 1 837 . 1 1 79 79 LYS HB2 H 1 2.033 0.05 . 2 . . . . 79 K HB2 . 6980 1 838 . 1 1 79 79 LYS HG2 H 1 1.411 0.05 . 2 . . . . 79 K HG2 . 6980 1 839 . 1 1 79 79 LYS C C 13 178.668 0.15 . 1 . . . . 79 K C . 6980 1 840 . 1 1 79 79 LYS CA C 13 59.696 0.15 . 1 . . . . 79 K CA . 6980 1 841 . 1 1 79 79 LYS CB C 13 31.867 0.15 . 1 . . . . 79 K CB . 6980 1 842 . 1 1 79 79 LYS CG C 13 25.157 0.15 . 1 . . . . 79 K CG . 6980 1 843 . 1 1 79 79 LYS CD C 13 29.614 0.15 . 1 . . . . 79 K CD . 6980 1 844 . 1 1 79 79 LYS CE C 13 41.966 0.15 . 1 . . . . 79 K CE . 6980 1 845 . 1 1 79 79 LYS N N 15 122.768 0.15 . 1 . . . . 79 K N . 6980 1 846 . 1 1 80 80 LEU H H 1 7.756 0.05 . 1 . . . . 80 L H . 6980 1 847 . 1 1 80 80 LEU HA H 1 4.226 0.05 . 1 . . . . 80 L HA . 6980 1 848 . 1 1 80 80 LEU HB3 H 1 1.670 0.05 . 2 . . . . 80 L HB3 . 6980 1 849 . 1 1 80 80 LEU HG H 1 1.842 0.05 . 1 . . . . 80 L HG . 6980 1 850 . 1 1 80 80 LEU HD11 H 1 0.788 0.05 . 2 . . . . 80 L QD1 . 6980 1 851 . 1 1 80 80 LEU HD12 H 1 0.788 0.05 . 2 . . . . 80 L QD1 . 6980 1 852 . 1 1 80 80 LEU HD13 H 1 0.788 0.05 . 2 . . . . 80 L QD1 . 6980 1 853 . 1 1 80 80 LEU HD21 H 1 0.746 0.05 . 2 . . . . 80 L QD2 . 6980 1 854 . 1 1 80 80 LEU HD22 H 1 0.746 0.05 . 2 . . . . 80 L QD2 . 6980 1 855 . 1 1 80 80 LEU HD23 H 1 0.746 0.05 . 2 . . . . 80 L QD2 . 6980 1 856 . 1 1 80 80 LEU C C 13 176.910 0.15 . 1 . . . . 80 L C . 6980 1 857 . 1 1 80 80 LEU CA C 13 55.094 0.15 . 1 . . . . 80 L CA . 6980 1 858 . 1 1 80 80 LEU CB C 13 42.432 0.15 . 1 . . . . 80 L CB . 6980 1 859 . 1 1 80 80 LEU CG C 13 26.265 0.15 . 1 . . . . 80 L CG . 6980 1 860 . 1 1 80 80 LEU CD1 C 13 22.144 0.15 . 2 . . . . 80 L CD1 . 6980 1 861 . 1 1 80 80 LEU CD2 C 13 25.335 0.15 . 2 . . . . 80 L CD2 . 6980 1 862 . 1 1 80 80 LEU N N 15 117.170 0.15 . 1 . . . . 80 L N . 6980 1 863 . 1 1 81 81 GLY H H 1 7.765 0.05 . 1 . . . . 81 G H . 6980 1 864 . 1 1 81 81 GLY HA2 H 1 3.804 0.05 . 2 . . . . 81 G HA2 . 6980 1 865 . 1 1 81 81 GLY HA3 H 1 4.130 0.05 . 2 . . . . 81 G HA3 . 6980 1 866 . 1 1 81 81 GLY C C 13 174.300 0.15 . 1 . . . . 81 G C . 6980 1 867 . 1 1 81 81 GLY CA C 13 45.698 0.15 . 1 . . . . 81 G CA . 6980 1 868 . 1 1 81 81 GLY N N 15 107.236 0.15 . 1 . . . . 81 G N . 6980 1 869 . 1 1 82 82 VAL H H 1 8.143 0.05 . 1 . . . . 82 V H . 6980 1 870 . 1 1 82 82 VAL HA H 1 4.468 0.05 . 1 . . . . 82 V HA . 6980 1 871 . 1 1 82 82 VAL HB H 1 2.034 0.05 . 1 . . . . 82 V HB . 6980 1 872 . 1 1 82 82 VAL HG11 H 1 0.838 0.05 . 2 . . . . 82 V QG1 . 6980 1 873 . 1 1 82 82 VAL HG12 H 1 0.838 0.05 . 2 . . . . 82 V QG1 . 6980 1 874 . 1 1 82 82 VAL HG13 H 1 0.838 0.05 . 2 . . . . 82 V QG1 . 6980 1 875 . 1 1 82 82 VAL HG21 H 1 0.824 0.05 . 2 . . . . 82 V QG2 . 6980 1 876 . 1 1 82 82 VAL HG22 H 1 0.824 0.05 . 2 . . . . 82 V QG2 . 6980 1 877 . 1 1 82 82 VAL HG23 H 1 0.824 0.05 . 2 . . . . 82 V QG2 . 6980 1 878 . 1 1 82 82 VAL CA C 13 58.711 0.15 . 1 . . . . 82 V CA . 6980 1 879 . 1 1 82 82 VAL CB C 13 32.386 0.15 . 1 . . . . 82 V CB . 6980 1 880 . 1 1 82 82 VAL CG1 C 13 22.158 0.15 . 2 . . . . 82 V CG1 . 6980 1 881 . 1 1 82 82 VAL CG2 C 13 20.025 0.15 . 2 . . . . 82 V CG2 . 6980 1 882 . 1 1 82 82 VAL N N 15 118.928 0.15 . 1 . . . . 82 V N . 6980 1 883 . 1 1 83 83 PRO HA H 1 4.405 0.05 . 1 . . . . 83 P HA . 6980 1 884 . 1 1 83 83 PRO HB2 H 1 1.904 0.05 . 2 . . . . 83 P HB2 . 6980 1 885 . 1 1 83 83 PRO HD2 H 1 3.491 0.05 . 2 . . . . 83 P HD2 . 6980 1 886 . 1 1 83 83 PRO HD3 H 1 3.605 0.05 . 2 . . . . 83 P HD3 . 6980 1 887 . 1 1 83 83 PRO C C 13 177.542 0.15 . 1 . . . . 83 P C . 6980 1 888 . 1 1 83 83 PRO CA C 13 62.812 0.15 . 1 . . . . 83 P CA . 6980 1 889 . 1 1 83 83 PRO CB C 13 32.370 0.15 . 1 . . . . 83 P CB . 6980 1 890 . 1 1 83 83 PRO CG C 13 27.391 0.15 . 1 . . . . 83 P CG . 6980 1 891 . 1 1 83 83 PRO CD C 13 50.455 0.15 . 1 . . . . 83 P CD . 6980 1 892 . 1 1 84 84 LYS H H 1 7.988 0.05 . 1 . . . . 84 K H . 6980 1 893 . 1 1 84 84 LYS HA H 1 4.891 0.05 . 1 . . . . 84 K HA . 6980 1 894 . 1 1 84 84 LYS HB2 H 1 1.834 0.05 . 2 . . . . 84 K HB2 . 6980 1 895 . 1 1 84 84 LYS HB3 H 1 1.593 0.05 . 2 . . . . 84 K HB3 . 6980 1 896 . 1 1 84 84 LYS HG2 H 1 1.168 0.05 . 2 . . . . 84 K HG2 . 6980 1 897 . 1 1 84 84 LYS HD2 H 1 1.528 0.05 . 2 . . . . 84 K HD2 . 6980 1 898 . 1 1 84 84 LYS HE2 H 1 2.638 0.05 . 2 . . . . 84 K HE2 . 6980 1 899 . 1 1 84 84 LYS C C 13 176.350 0.15 . 1 . . . . 84 K C . 6980 1 900 . 1 1 84 84 LYS CA C 13 53.176 0.15 . 1 . . . . 84 K CA . 6980 1 901 . 1 1 84 84 LYS CB C 13 36.968 0.15 . 1 . . . . 84 K CB . 6980 1 902 . 1 1 84 84 LYS CG C 13 24.773 0.15 . 1 . . . . 84 K CG . 6980 1 903 . 1 1 84 84 LYS CE C 13 42.391 0.15 . 1 . . . . 84 K CE . 6980 1 904 . 1 1 84 84 LYS N N 15 120.935 0.15 . 1 . . . . 84 K N . 6980 1 905 . 1 1 85 85 THR H H 1 8.944 0.05 . 1 . . . . 85 T H . 6980 1 906 . 1 1 85 85 THR HA H 1 4.420 0.05 . 1 . . . . 85 T HA . 6980 1 907 . 1 1 85 85 THR HB H 1 4.755 0.05 . 1 . . . . 85 T HB . 6980 1 908 . 1 1 85 85 THR HG21 H 1 1.339 0.05 . 1 . . . . 85 T QG2 . 6980 1 909 . 1 1 85 85 THR HG22 H 1 1.339 0.05 . 1 . . . . 85 T QG2 . 6980 1 910 . 1 1 85 85 THR HG23 H 1 1.339 0.05 . 1 . . . . 85 T QG2 . 6980 1 911 . 1 1 85 85 THR C C 13 175.081 0.15 . 1 . . . . 85 T C . 6980 1 912 . 1 1 85 85 THR CA C 13 61.013 0.15 . 1 . . . . 85 T CA . 6980 1 913 . 1 1 85 85 THR CB C 13 71.072 0.15 . 1 . . . . 85 T CB . 6980 1 914 . 1 1 85 85 THR CG2 C 13 21.799 0.15 . 1 . . . . 85 T CG2 . 6980 1 915 . 1 1 85 85 THR N N 15 112.289 0.15 . 1 . . . . 85 T N . 6980 1 916 . 1 1 86 86 HIS H H 1 8.959 0.05 . 1 . . . . 86 H H . 6980 1 917 . 1 1 86 86 HIS HA H 1 4.164 0.05 . 1 . . . . 86 H HA . 6980 1 918 . 1 1 86 86 HIS HB2 H 1 3.172 0.05 . 2 . . . . 86 H HB2 . 6980 1 919 . 1 1 86 86 HIS HD2 H 1 6.918 0.05 . 1 . . . . 86 H HD2 . 6980 1 920 . 1 1 86 86 HIS C C 13 177.258 0.15 . 1 . . . . 86 H C . 6980 1 921 . 1 1 86 86 HIS CA C 13 61.312 0.15 . 1 . . . . 86 H CA . 6980 1 922 . 1 1 86 86 HIS CB C 13 30.821 0.15 . 1 . . . . 86 H CB . 6980 1 923 . 1 1 86 86 HIS N N 15 120.817 0.15 . 1 . . . . 86 H N . 6980 1 924 . 1 1 87 87 LEU H H 1 8.155 0.05 . 1 . . . . 87 L H . 6980 1 925 . 1 1 87 87 LEU HA H 1 3.981 0.05 . 1 . . . . 87 L HA . 6980 1 926 . 1 1 87 87 LEU HB2 H 1 1.709 0.05 . 2 . . . . 87 L HB2 . 6980 1 927 . 1 1 87 87 LEU HB3 H 1 1.532 0.05 . 2 . . . . 87 L HB3 . 6980 1 928 . 1 1 87 87 LEU HD11 H 1 1.006 0.05 . 2 . . . . 87 L QD1 . 6980 1 929 . 1 1 87 87 LEU HD12 H 1 1.006 0.05 . 2 . . . . 87 L QD1 . 6980 1 930 . 1 1 87 87 LEU HD13 H 1 1.006 0.05 . 2 . . . . 87 L QD1 . 6980 1 931 . 1 1 87 87 LEU HD21 H 1 0.954 0.05 . 2 . . . . 87 L QD2 . 6980 1 932 . 1 1 87 87 LEU HD22 H 1 0.954 0.05 . 2 . . . . 87 L QD2 . 6980 1 933 . 1 1 87 87 LEU HD23 H 1 0.954 0.05 . 2 . . . . 87 L QD2 . 6980 1 934 . 1 1 87 87 LEU C C 13 180.121 0.15 . 1 . . . . 87 L C . 6980 1 935 . 1 1 87 87 LEU CA C 13 58.240 0.15 . 1 . . . . 87 L CA . 6980 1 936 . 1 1 87 87 LEU CB C 13 41.908 0.15 . 1 . . . . 87 L CB . 6980 1 937 . 1 1 87 87 LEU CD1 C 13 24.061 0.15 . 2 . . . . 87 L CD1 . 6980 1 938 . 1 1 87 87 LEU CD2 C 13 23.812 0.15 . 2 . . . . 87 L CD2 . 6980 1 939 . 1 1 87 87 LEU N N 15 116.901 0.15 . 1 . . . . 87 L N . 6980 1 940 . 1 1 88 88 GLU H H 1 7.586 0.05 . 1 . . . . 88 E H . 6980 1 941 . 1 1 88 88 GLU HA H 1 3.922 0.05 . 1 . . . . 88 E HA . 6980 1 942 . 1 1 88 88 GLU HB2 H 1 1.838 0.05 . 2 . . . . 88 E HB2 . 6980 1 943 . 1 1 88 88 GLU HB3 H 1 2.376 0.05 . 2 . . . . 88 E HB3 . 6980 1 944 . 1 1 88 88 GLU HG2 H 1 2.387 0.05 . 2 . . . . 88 E HG2 . 6980 1 945 . 1 1 88 88 GLU HG3 H 1 2.205 0.05 . 2 . . . . 88 E HG3 . 6980 1 946 . 1 1 88 88 GLU C C 13 179.692 0.15 . 1 . . . . 88 E C . 6980 1 947 . 1 1 88 88 GLU CA C 13 59.289 0.15 . 1 . . . . 88 E CA . 6980 1 948 . 1 1 88 88 GLU CB C 13 30.748 0.15 . 1 . . . . 88 E CB . 6980 1 949 . 1 1 88 88 GLU CG C 13 37.435 0.15 . 1 . . . . 88 E CG . 6980 1 950 . 1 1 88 88 GLU N N 15 119.067 0.15 . 1 . . . . 88 E N . 6980 1 951 . 1 1 89 89 LEU H H 1 8.687 0.05 . 1 . . . . 89 L H . 6980 1 952 . 1 1 89 89 LEU HA H 1 3.878 0.05 . 1 . . . . 89 L HA . 6980 1 953 . 1 1 89 89 LEU HB2 H 1 1.287 0.05 . 2 . . . . 89 L HB2 . 6980 1 954 . 1 1 89 89 LEU HB3 H 1 2.136 0.05 . 2 . . . . 89 L HB3 . 6980 1 955 . 1 1 89 89 LEU HD11 H 1 0.798 0.05 . 2 . . . . 89 L QD1 . 6980 1 956 . 1 1 89 89 LEU HD12 H 1 0.798 0.05 . 2 . . . . 89 L QD1 . 6980 1 957 . 1 1 89 89 LEU HD13 H 1 0.798 0.05 . 2 . . . . 89 L QD1 . 6980 1 958 . 1 1 89 89 LEU HD21 H 1 0.836 0.05 . 2 . . . . 89 L QD2 . 6980 1 959 . 1 1 89 89 LEU HD22 H 1 0.836 0.05 . 2 . . . . 89 L QD2 . 6980 1 960 . 1 1 89 89 LEU HD23 H 1 0.836 0.05 . 2 . . . . 89 L QD2 . 6980 1 961 . 1 1 89 89 LEU C C 13 178.496 0.15 . 1 . . . . 89 L C . 6980 1 962 . 1 1 89 89 LEU CA C 13 58.416 0.15 . 1 . . . . 89 L CA . 6980 1 963 . 1 1 89 89 LEU CB C 13 41.939 0.15 . 1 . . . . 89 L CB . 6980 1 964 . 1 1 89 89 LEU CD1 C 13 24.153 0.15 . 2 . . . . 89 L CD1 . 6980 1 965 . 1 1 89 89 LEU CD2 C 13 25.985 0.15 . 2 . . . . 89 L CD2 . 6980 1 966 . 1 1 89 89 LEU N N 15 120.907 0.15 . 1 . . . . 89 L N . 6980 1 967 . 1 1 90 90 LYS H H 1 8.075 0.05 . 1 . . . . 90 K H . 6980 1 968 . 1 1 90 90 LYS HA H 1 3.860 0.05 . 1 . . . . 90 K HA . 6980 1 969 . 1 1 90 90 LYS HB2 H 1 1.845 0.05 . 2 . . . . 90 K HB2 . 6980 1 970 . 1 1 90 90 LYS HG2 H 1 1.319 0.05 . 2 . . . . 90 K HG2 . 6980 1 971 . 1 1 90 90 LYS HG3 H 1 1.077 0.05 . 2 . . . . 90 K HG3 . 6980 1 972 . 1 1 90 90 LYS HD2 H 1 1.587 0.05 . 2 . . . . 90 K HD2 . 6980 1 973 . 1 1 90 90 LYS HE2 H 1 2.939 0.05 . 2 . . . . 90 K HE2 . 6980 1 974 . 1 1 90 90 LYS C C 13 179.965 0.15 . 1 . . . . 90 K C . 6980 1 975 . 1 1 90 90 LYS CA C 13 59.938 0.15 . 1 . . . . 90 K CA . 6980 1 976 . 1 1 90 90 LYS CB C 13 31.999 0.15 . 1 . . . . 90 K CB . 6980 1 977 . 1 1 90 90 LYS CG C 13 25.295 0.15 . 1 . . . . 90 K CG . 6980 1 978 . 1 1 90 90 LYS CD C 13 29.348 0.15 . 1 . . . . 90 K CD . 6980 1 979 . 1 1 90 90 LYS N N 15 118.162 0.15 . 1 . . . . 90 K N . 6980 1 980 . 1 1 91 91 LYS H H 1 7.622 0.05 . 1 . . . . 91 K H . 6980 1 981 . 1 1 91 91 LYS HA H 1 4.061 0.05 . 1 . . . . 91 K HA . 6980 1 982 . 1 1 91 91 LYS HB3 H 1 1.931 0.05 . 2 . . . . 91 K HB3 . 6980 1 983 . 1 1 91 91 LYS HG2 H 1 1.392 0.05 . 2 . . . . 91 K HG2 . 6980 1 984 . 1 1 91 91 LYS HG3 H 1 1.567 0.05 . 2 . . . . 91 K HG3 . 6980 1 985 . 1 1 91 91 LYS HE2 H 1 2.933 0.05 . 2 . . . . 91 K HE2 . 6980 1 986 . 1 1 91 91 LYS C C 13 179.332 0.15 . 1 . . . . 91 K C . 6980 1 987 . 1 1 91 91 LYS CA C 13 59.212 0.15 . 1 . . . . 91 K CA . 6980 1 988 . 1 1 91 91 LYS CB C 13 32.137 0.15 . 1 . . . . 91 K CB . 6980 1 989 . 1 1 91 91 LYS CG C 13 25.081 0.15 . 1 . . . . 91 K CG . 6980 1 990 . 1 1 91 91 LYS CD C 13 29.285 0.15 . 1 . . . . 91 K CD . 6980 1 991 . 1 1 91 91 LYS CE C 13 42.014 0.15 . 1 . . . . 91 K CE . 6980 1 992 . 1 1 91 91 LYS N N 15 120.697 0.15 . 1 . . . . 91 K N . 6980 1 993 . 1 1 92 92 LEU H H 1 8.074 0.05 . 1 . . . . 92 L H . 6980 1 994 . 1 1 92 92 LEU HA H 1 4.110 0.05 . 1 . . . . 92 L HA . 6980 1 995 . 1 1 92 92 LEU HB2 H 1 1.445 0.05 . 2 . . . . 92 L HB2 . 6980 1 996 . 1 1 92 92 LEU HB3 H 1 1.716 0.05 . 2 . . . . 92 L HB3 . 6980 1 997 . 1 1 92 92 LEU HD11 H 1 0.840 0.05 . 2 . . . . 92 L QD1 . 6980 1 998 . 1 1 92 92 LEU HD12 H 1 0.840 0.05 . 2 . . . . 92 L QD1 . 6980 1 999 . 1 1 92 92 LEU HD13 H 1 0.840 0.05 . 2 . . . . 92 L QD1 . 6980 1 1000 . 1 1 92 92 LEU HD21 H 1 0.819 0.05 . 2 . . . . 92 L QD2 . 6980 1 1001 . 1 1 92 92 LEU HD22 H 1 0.819 0.05 . 2 . . . . 92 L QD2 . 6980 1 1002 . 1 1 92 92 LEU HD23 H 1 0.819 0.05 . 2 . . . . 92 L QD2 . 6980 1 1003 . 1 1 92 92 LEU C C 13 179.916 0.15 . 1 . . . . 92 L C . 6980 1 1004 . 1 1 92 92 LEU CA C 13 58.462 0.15 . 1 . . . . 92 L CA . 6980 1 1005 . 1 1 92 92 LEU CB C 13 42.257 0.15 . 1 . . . . 92 L CB . 6980 1 1006 . 1 1 92 92 LEU CD1 C 13 24.749 0.15 . 2 . . . . 92 L CD1 . 6980 1 1007 . 1 1 92 92 LEU CD2 C 13 25.987 0.15 . 2 . . . . 92 L CD2 . 6980 1 1008 . 1 1 92 92 LEU N N 15 120.513 0.15 . 1 . . . . 92 L N . 6980 1 1009 . 1 1 93 93 ILE H H 1 8.185 0.05 . 1 . . . . 93 I H . 6980 1 1010 . 1 1 93 93 ILE HA H 1 3.506 0.05 . 1 . . . . 93 I HA . 6980 1 1011 . 1 1 93 93 ILE HB H 1 1.813 0.05 . 1 . . . . 93 I HB . 6980 1 1012 . 1 1 93 93 ILE HG12 H 1 0.957 0.05 . 2 . . . . 93 I HG12 . 6980 1 1013 . 1 1 93 93 ILE HG21 H 1 0.802 0.05 . 1 . . . . 93 I QG2 . 6980 1 1014 . 1 1 93 93 ILE HG22 H 1 0.802 0.05 . 1 . . . . 93 I QG2 . 6980 1 1015 . 1 1 93 93 ILE HG23 H 1 0.802 0.05 . 1 . . . . 93 I QG2 . 6980 1 1016 . 1 1 93 93 ILE HD11 H 1 0.723 0.05 . 1 . . . . 93 I QD1 . 6980 1 1017 . 1 1 93 93 ILE HD12 H 1 0.723 0.05 . 1 . . . . 93 I QD1 . 6980 1 1018 . 1 1 93 93 ILE HD13 H 1 0.723 0.05 . 1 . . . . 93 I QD1 . 6980 1 1019 . 1 1 93 93 ILE C C 13 178.320 0.15 . 1 . . . . 93 I C . 6980 1 1020 . 1 1 93 93 ILE CA C 13 65.709 0.15 . 1 . . . . 93 I CA . 6980 1 1021 . 1 1 93 93 ILE CB C 13 37.725 0.15 . 1 . . . . 93 I CB . 6980 1 1022 . 1 1 93 93 ILE CG1 C 13 30.612 0.15 . 1 . . . . 93 I CG1 . 6980 1 1023 . 1 1 93 93 ILE CG2 C 13 17.477 0.15 . 1 . . . . 93 I CG2 . 6980 1 1024 . 1 1 93 93 ILE CD1 C 13 12.839 0.15 . 1 . . . . 93 I CD1 . 6980 1 1025 . 1 1 93 93 ILE N N 15 118.247 0.15 . 1 . . . . 93 I N . 6980 1 1026 . 1 1 94 94 GLY H H 1 8.217 0.05 . 1 . . . . 94 G H . 6980 1 1027 . 1 1 94 94 GLY HA2 H 1 3.905 0.05 . 2 . . . . 94 G HA2 . 6980 1 1028 . 1 1 94 94 GLY C C 13 175.217 0.15 . 1 . . . . 94 G C . 6980 1 1029 . 1 1 94 94 GLY CA C 13 46.746 0.15 . 1 . . . . 94 G CA . 6980 1 1030 . 1 1 94 94 GLY N N 15 107.826 0.15 . 1 . . . . 94 G N . 6980 1 1031 . 1 1 95 95 GLU H H 1 7.314 0.05 . 1 . . . . 95 E H . 6980 1 1032 . 1 1 95 95 GLU HA H 1 4.163 0.05 . 1 . . . . 95 E HA . 6980 1 1033 . 1 1 95 95 GLU HB2 H 1 2.019 0.05 . 2 . . . . 95 E HB2 . 6980 1 1034 . 1 1 95 95 GLU HB3 H 1 2.184 0.05 . 2 . . . . 95 E HB3 . 6980 1 1035 . 1 1 95 95 GLU HG2 H 1 2.535 0.05 . 2 . . . . 95 E HG2 . 6980 1 1036 . 1 1 95 95 GLU HG3 H 1 2.216 0.05 . 2 . . . . 95 E HG3 . 6980 1 1037 . 1 1 95 95 GLU C C 13 177.036 0.15 . 1 . . . . 95 E C . 6980 1 1038 . 1 1 95 95 GLU CA C 13 58.013 0.15 . 1 . . . . 95 E CA . 6980 1 1039 . 1 1 95 95 GLU CB C 13 30.942 0.15 . 1 . . . . 95 E CB . 6980 1 1040 . 1 1 95 95 GLU CG C 13 36.989 0.15 . 1 . . . . 95 E CG . 6980 1 1041 . 1 1 95 95 GLU N N 15 117.066 0.15 . 1 . . . . 95 E N . 6980 1 1042 . 1 1 96 96 VAL H H 1 7.308 0.05 . 1 . . . . 96 V H . 6980 1 1043 . 1 1 96 96 VAL HA H 1 3.915 0.05 . 1 . . . . 96 V HA . 6980 1 1044 . 1 1 96 96 VAL HB H 1 1.674 0.05 . 1 . . . . 96 V HB . 6980 1 1045 . 1 1 96 96 VAL HG11 H 1 0.320 0.05 . 2 . . . . 96 V QG1 . 6980 1 1046 . 1 1 96 96 VAL HG12 H 1 0.320 0.05 . 2 . . . . 96 V QG1 . 6980 1 1047 . 1 1 96 96 VAL HG13 H 1 0.320 0.05 . 2 . . . . 96 V QG1 . 6980 1 1048 . 1 1 96 96 VAL HG21 H 1 0.580 0.05 . 2 . . . . 96 V QG2 . 6980 1 1049 . 1 1 96 96 VAL HG22 H 1 0.580 0.05 . 2 . . . . 96 V QG2 . 6980 1 1050 . 1 1 96 96 VAL HG23 H 1 0.580 0.05 . 2 . . . . 96 V QG2 . 6980 1 1051 . 1 1 96 96 VAL C C 13 175.951 0.15 . 1 . . . . 96 V C . 6980 1 1052 . 1 1 96 96 VAL CA C 13 62.530 0.15 . 1 . . . . 96 V CA . 6980 1 1053 . 1 1 96 96 VAL CB C 13 33.885 0.15 . 1 . . . . 96 V CB . 6980 1 1054 . 1 1 96 96 VAL CG1 C 13 21.155 0.15 . 1 . . . . 96 V CG1 . 6980 1 1055 . 1 1 96 96 VAL CG2 C 13 21.155 0.15 . 1 . . . . 96 V CG2 . 6980 1 1056 . 1 1 96 96 VAL N N 15 114.932 0.15 . 1 . . . . 96 V N . 6980 1 1057 . 1 1 97 97 SER H H 1 8.124 0.05 . 1 . . . . 97 S H . 6980 1 1058 . 1 1 97 97 SER HA H 1 4.557 0.05 . 1 . . . . 97 S HA . 6980 1 1059 . 1 1 97 97 SER HB2 H 1 3.855 0.05 . 2 . . . . 97 S HB2 . 6980 1 1060 . 1 1 97 97 SER HB3 H 1 4.099 0.05 . 2 . . . . 97 S HB3 . 6980 1 1061 . 1 1 97 97 SER C C 13 175.961 0.15 . 1 . . . . 97 S C . 6980 1 1062 . 1 1 97 97 SER CA C 13 58.463 0.15 . 1 . . . . 97 S CA . 6980 1 1063 . 1 1 97 97 SER CB C 13 65.137 0.15 . 1 . . . . 97 S CB . 6980 1 1064 . 1 1 97 97 SER N N 15 113.389 0.15 . 1 . . . . 97 S N . 6980 1 1065 . 1 1 98 98 SER H H 1 8.481 0.05 . 1 . . . . 98 S H . 6980 1 1066 . 1 1 98 98 SER HA H 1 4.579 0.05 . 1 . . . . 98 S HA . 6980 1 1067 . 1 1 98 98 SER HB2 H 1 4.105 0.05 . 2 . . . . 98 S HB2 . 6980 1 1068 . 1 1 98 98 SER HB3 H 1 3.970 0.05 . 2 . . . . 98 S HB3 . 6980 1 1069 . 1 1 98 98 SER C C 13 175.203 0.15 . 1 . . . . 98 S C . 6980 1 1070 . 1 1 98 98 SER CA C 13 58.537 0.15 . 1 . . . . 98 S CA . 6980 1 1071 . 1 1 98 98 SER CB C 13 63.376 0.15 . 1 . . . . 98 S CB . 6980 1 1072 . 1 1 98 98 SER N N 15 120.221 0.15 . 1 . . . . 98 S N . 6980 1 1073 . 1 1 99 99 GLY H H 1 8.487 0.05 . 1 . . . . 99 G H . 6980 1 1074 . 1 1 99 99 GLY HA2 H 1 3.884 0.05 . 2 . . . . 99 G HA2 . 6980 1 1075 . 1 1 99 99 GLY HA3 H 1 4.383 0.05 . 2 . . . . 99 G HA3 . 6980 1 1076 . 1 1 99 99 GLY C C 13 174.334 0.15 . 1 . . . . 99 G C . 6980 1 1077 . 1 1 99 99 GLY CA C 13 45.055 0.15 . 1 . . . . 99 G CA . 6980 1 1078 . 1 1 99 99 GLY N N 15 112.290 0.15 . 1 . . . . 99 G N . 6980 1 1079 . 1 1 100 100 SER H H 1 8.591 0.05 . 1 . . . . 100 S H . 6980 1 1080 . 1 1 100 100 SER HA H 1 4.486 0.05 . 1 . . . . 100 S HA . 6980 1 1081 . 1 1 100 100 SER HB2 H 1 3.952 0.05 . 2 . . . . 100 S HB2 . 6980 1 1082 . 1 1 100 100 SER HB3 H 1 4.051 0.05 . 2 . . . . 100 S HB3 . 6980 1 1083 . 1 1 100 100 SER C C 13 175.315 0.15 . 1 . . . . 100 S C . 6980 1 1084 . 1 1 100 100 SER CA C 13 58.584 0.15 . 1 . . . . 100 S CA . 6980 1 1085 . 1 1 100 100 SER CB C 13 63.716 0.15 . 1 . . . . 100 S CB . 6980 1 1086 . 1 1 100 100 SER N N 15 117.551 0.15 . 1 . . . . 100 S N . 6980 1 1087 . 1 1 101 101 GLY H H 1 8.266 0.05 . 1 . . . . 101 G H . 6980 1 1088 . 1 1 101 101 GLY HA2 H 1 3.999 0.05 . 2 . . . . 101 G HA2 . 6980 1 1089 . 1 1 101 101 GLY HA3 H 1 4.131 0.05 . 2 . . . . 101 G HA3 . 6980 1 1090 . 1 1 101 101 GLY C C 13 173.703 0.15 . 1 . . . . 101 G C . 6980 1 1091 . 1 1 101 101 GLY CA C 13 45.564 0.15 . 1 . . . . 101 G CA . 6980 1 1092 . 1 1 101 101 GLY N N 15 109.496 0.15 . 1 . . . . 101 G N . 6980 1 1093 . 1 1 102 102 GLU H H 1 8.414 0.05 . 1 . . . . 102 E H . 6980 1 1094 . 1 1 102 102 GLU HA H 1 4.399 0.05 . 1 . . . . 102 E HA . 6980 1 1095 . 1 1 102 102 GLU HB2 H 1 2.251 0.05 . 2 . . . . 102 E HB2 . 6980 1 1096 . 1 1 102 102 GLU HB3 H 1 1.983 0.05 . 2 . . . . 102 E HB3 . 6980 1 1097 . 1 1 102 102 GLU HG2 H 1 2.200 0.05 . 2 . . . . 102 E HG2 . 6980 1 1098 . 1 1 102 102 GLU HG3 H 1 2.306 0.05 . 2 . . . . 102 E HG3 . 6980 1 1099 . 1 1 102 102 GLU C C 13 175.409 0.15 . 1 . . . . 102 E C . 6980 1 1100 . 1 1 102 102 GLU CA C 13 56.799 0.15 . 1 . . . . 102 E CA . 6980 1 1101 . 1 1 102 102 GLU CB C 13 30.520 0.15 . 1 . . . . 102 E CB . 6980 1 1102 . 1 1 102 102 GLU CG C 13 36.908 0.15 . 1 . . . . 102 E CG . 6980 1 1103 . 1 1 102 102 GLU N N 15 117.786 0.15 . 1 . . . . 102 E N . 6980 1 1104 . 1 1 103 103 THR H H 1 7.490 0.05 . 1 . . . . 103 T H . 6980 1 1105 . 1 1 103 103 THR HA H 1 5.337 0.05 . 1 . . . . 103 T HA . 6980 1 1106 . 1 1 103 103 THR HB H 1 3.929 0.05 . 1 . . . . 103 T HB . 6980 1 1107 . 1 1 103 103 THR HG21 H 1 1.071 0.05 . 1 . . . . 103 T QG2 . 6980 1 1108 . 1 1 103 103 THR HG22 H 1 1.071 0.05 . 1 . . . . 103 T QG2 . 6980 1 1109 . 1 1 103 103 THR HG23 H 1 1.071 0.05 . 1 . . . . 103 T QG2 . 6980 1 1110 . 1 1 103 103 THR C C 13 173.710 0.15 . 1 . . . . 103 T C . 6980 1 1111 . 1 1 103 103 THR CA C 13 59.293 0.15 . 1 . . . . 103 T CA . 6980 1 1112 . 1 1 103 103 THR CB C 13 72.966 0.15 . 1 . . . . 103 T CB . 6980 1 1113 . 1 1 103 103 THR CG2 C 13 21.740 0.15 . 1 . . . . 103 T CG2 . 6980 1 1114 . 1 1 103 103 THR N N 15 107.768 0.15 . 1 . . . . 103 T N . 6980 1 1115 . 1 1 104 104 PHE H H 1 8.648 0.05 . 1 . . . . 104 F H . 6980 1 1116 . 1 1 104 104 PHE HA H 1 5.200 0.05 . 1 . . . . 104 F HA . 6980 1 1117 . 1 1 104 104 PHE HB2 H 1 2.824 0.05 . 2 . . . . 104 F HB2 . 6980 1 1118 . 1 1 104 104 PHE HB3 H 1 3.481 0.05 . 2 . . . . 104 F HB3 . 6980 1 1119 . 1 1 104 104 PHE HD1 H 1 7.308 0.05 . 4 . . . . 104 F QD . 6980 1 1120 . 1 1 104 104 PHE HD2 H 1 7.308 0.05 . 4 . . . . 104 F QD . 6980 1 1121 . 1 1 104 104 PHE HE1 H 1 6.923 0.05 . 4 . . . . 104 F QE . 6980 1 1122 . 1 1 104 104 PHE HE2 H 1 6.923 0.05 . 4 . . . . 104 F QE . 6980 1 1123 . 1 1 104 104 PHE C C 13 171.723 0.15 . 1 . . . . 104 F C . 6980 1 1124 . 1 1 104 104 PHE CA C 13 56.608 0.15 . 1 . . . . 104 F CA . 6980 1 1125 . 1 1 104 104 PHE CB C 13 41.884 0.15 . 1 . . . . 104 F CB . 6980 1 1126 . 1 1 104 104 PHE N N 15 114.956 0.15 . 1 . . . . 104 F N . 6980 1 1127 . 1 1 105 105 SER H H 1 8.580 0.05 . 1 . . . . 105 S H . 6980 1 1128 . 1 1 105 105 SER HA H 1 5.267 0.05 . 1 . . . . 105 S HA . 6980 1 1129 . 1 1 105 105 SER HB2 H 1 3.828 0.05 . 2 . . . . 105 S HB2 . 6980 1 1130 . 1 1 105 105 SER HB3 H 1 4.202 0.05 . 2 . . . . 105 S HB3 . 6980 1 1131 . 1 1 105 105 SER C C 13 175.656 0.15 . 1 . . . . 105 S C . 6980 1 1132 . 1 1 105 105 SER CA C 13 56.409 0.15 . 1 . . . . 105 S CA . 6980 1 1133 . 1 1 105 105 SER CB C 13 68.029 0.15 . 1 . . . . 105 S CB . 6980 1 1134 . 1 1 105 105 SER N N 15 116.246 0.15 . 1 . . . . 105 S N . 6980 1 1135 . 1 1 106 106 TYR H H 1 9.132 0.05 . 1 . . . . 106 Y H . 6980 1 1136 . 1 1 106 106 TYR HA H 1 4.238 0.05 . 1 . . . . 106 Y HA . 6980 1 1137 . 1 1 106 106 TYR HB2 H 1 2.339 0.05 . 2 . . . . 106 Y HB2 . 6980 1 1138 . 1 1 106 106 TYR HB3 H 1 2.552 0.05 . 2 . . . . 106 Y HB3 . 6980 1 1139 . 1 1 106 106 TYR HD1 H 1 6.160 0.05 . 4 . . . . 106 Y QD . 6980 1 1140 . 1 1 106 106 TYR HD2 H 1 6.160 0.05 . 4 . . . . 106 Y QD . 6980 1 1141 . 1 1 106 106 TYR HE1 H 1 6.555 0.05 . 4 . . . . 106 Y QE . 6980 1 1142 . 1 1 106 106 TYR HE2 H 1 6.555 0.05 . 4 . . . . 106 Y QE . 6980 1 1143 . 1 1 106 106 TYR HH H 1 9.618 0.05 . 1 . . . . 106 Y HH . 6980 1 1144 . 1 1 106 106 TYR CA C 13 61.923 0.15 . 1 . . . . 106 Y CA . 6980 1 1145 . 1 1 106 106 TYR CB C 13 36.008 0.15 . 1 . . . . 106 Y CB . 6980 1 1146 . 1 1 106 106 TYR N N 15 121.074 0.15 . 1 . . . . 106 Y N . 6980 1 1147 . 1 1 107 107 PRO HA H 1 3.852 0.05 . 1 . . . . 107 P HA . 6980 1 1148 . 1 1 107 107 PRO HB2 H 1 1.957 0.05 . 2 . . . . 107 P HB2 . 6980 1 1149 . 1 1 107 107 PRO HB3 H 1 2.496 0.05 . 2 . . . . 107 P HB3 . 6980 1 1150 . 1 1 107 107 PRO HG2 H 1 2.253 0.05 . 2 . . . . 107 P HG2 . 6980 1 1151 . 1 1 107 107 PRO HD2 H 1 4.084 0.05 . 2 . . . . 107 P HD2 . 6980 1 1152 . 1 1 107 107 PRO HD3 H 1 3.844 0.05 . 2 . . . . 107 P HD3 . 6980 1 1153 . 1 1 107 107 PRO C C 13 178.191 0.15 . 1 . . . . 107 P C . 6980 1 1154 . 1 1 107 107 PRO CA C 13 66.681 0.15 . 1 . . . . 107 P CA . 6980 1 1155 . 1 1 107 107 PRO CB C 13 30.833 0.15 . 1 . . . . 107 P CB . 6980 1 1156 . 1 1 107 107 PRO CG C 13 29.018 0.15 . 1 . . . . 107 P CG . 6980 1 1157 . 1 1 107 107 PRO CD C 13 49.177 0.15 . 1 . . . . 107 P CD . 6980 1 1158 . 1 1 108 108 ASP H H 1 7.348 0.05 . 1 . . . . 108 D H . 6980 1 1159 . 1 1 108 108 ASP HA H 1 4.324 0.05 . 1 . . . . 108 D HA . 6980 1 1160 . 1 1 108 108 ASP HB2 H 1 2.994 0.05 . 2 . . . . 108 D HB2 . 6980 1 1161 . 1 1 108 108 ASP HB3 H 1 3.421 0.05 . 2 . . . . 108 D HB3 . 6980 1 1162 . 1 1 108 108 ASP C C 13 179.004 0.15 . 1 . . . . 108 D C . 6980 1 1163 . 1 1 108 108 ASP CA C 13 57.524 0.15 . 1 . . . . 108 D CA . 6980 1 1164 . 1 1 108 108 ASP CB C 13 40.739 0.15 . 1 . . . . 108 D CB . 6980 1 1165 . 1 1 108 108 ASP N N 15 116.026 0.15 . 1 . . . . 108 D N . 6980 1 1166 . 1 1 109 109 PHE H H 1 8.750 0.05 . 1 . . . . 109 F H . 6980 1 1167 . 1 1 109 109 PHE HA H 1 3.822 0.05 . 1 . . . . 109 F HA . 6980 1 1168 . 1 1 109 109 PHE HB2 H 1 3.282 0.05 . 2 . . . . 109 F HB2 . 6980 1 1169 . 1 1 109 109 PHE HB3 H 1 3.556 0.05 . 2 . . . . 109 F HB3 . 6980 1 1170 . 1 1 109 109 PHE HE1 H 1 7.020 0.05 . 4 . . . . 109 F QE . 6980 1 1171 . 1 1 109 109 PHE HE2 H 1 7.020 0.05 . 4 . . . . 109 F QE . 6980 1 1172 . 1 1 109 109 PHE C C 13 176.621 0.15 . 1 . . . . 109 F C . 6980 1 1173 . 1 1 109 109 PHE CA C 13 61.472 0.15 . 1 . . . . 109 F CA . 6980 1 1174 . 1 1 109 109 PHE CB C 13 39.822 0.15 . 1 . . . . 109 F CB . 6980 1 1175 . 1 1 109 109 PHE N N 15 124.180 0.15 . 1 . . . . 109 F N . 6980 1 1176 . 1 1 110 110 LEU H H 1 8.570 0.05 . 1 . . . . 110 L H . 6980 1 1177 . 1 1 110 110 LEU HA H 1 3.098 0.05 . 1 . . . . 110 L HA . 6980 1 1178 . 1 1 110 110 LEU HB2 H 1 0.083 0.05 . 2 . . . . 110 L HB2 . 6980 1 1179 . 1 1 110 110 LEU HB3 H 1 1.042 0.05 . 2 . . . . 110 L HB3 . 6980 1 1180 . 1 1 110 110 LEU HD11 H 1 -0.399 0.05 . 2 . . . . 110 L QD1 . 6980 1 1181 . 1 1 110 110 LEU HD12 H 1 -0.399 0.05 . 2 . . . . 110 L QD1 . 6980 1 1182 . 1 1 110 110 LEU HD13 H 1 -0.399 0.05 . 2 . . . . 110 L QD1 . 6980 1 1183 . 1 1 110 110 LEU HD21 H 1 0.428 0.05 . 2 . . . . 110 L QD2 . 6980 1 1184 . 1 1 110 110 LEU HD22 H 1 0.428 0.05 . 2 . . . . 110 L QD2 . 6980 1 1185 . 1 1 110 110 LEU HD23 H 1 0.428 0.05 . 2 . . . . 110 L QD2 . 6980 1 1186 . 1 1 110 110 LEU C C 13 178.761 0.15 . 1 . . . . 110 L C . 6980 1 1187 . 1 1 110 110 LEU CA C 13 57.463 0.15 . 1 . . . . 110 L CA . 6980 1 1188 . 1 1 110 110 LEU CB C 13 42.336 0.15 . 1 . . . . 110 L CB . 6980 1 1189 . 1 1 110 110 LEU CD1 C 13 24.975 0.15 . 2 . . . . 110 L CD1 . 6980 1 1190 . 1 1 110 110 LEU CD2 C 13 23.031 0.15 . 2 . . . . 110 L CD2 . 6980 1 1191 . 1 1 110 110 LEU N N 15 119.228 0.15 . 1 . . . . 110 L N . 6980 1 1192 . 1 1 111 111 ARG H H 1 8.252 0.05 . 1 . . . . 111 R H . 6980 1 1193 . 1 1 111 111 ARG HA H 1 3.794 0.05 . 1 . . . . 111 R HA . 6980 1 1194 . 1 1 111 111 ARG HB2 H 1 1.805 0.05 . 2 . . . . 111 R HB2 . 6980 1 1195 . 1 1 111 111 ARG HD2 H 1 3.246 0.05 . 2 . . . . 111 R HD2 . 6980 1 1196 . 1 1 111 111 ARG HD3 H 1 3.401 0.05 . 2 . . . . 111 R HD3 . 6980 1 1197 . 1 1 111 111 ARG C C 13 179.676 0.15 . 1 . . . . 111 R C . 6980 1 1198 . 1 1 111 111 ARG CA C 13 60.716 0.15 . 1 . . . . 111 R CA . 6980 1 1199 . 1 1 111 111 ARG CB C 13 30.231 0.15 . 1 . . . . 111 R CB . 6980 1 1200 . 1 1 111 111 ARG CD C 13 43.456 0.15 . 1 . . . . 111 R CD . 6980 1 1201 . 1 1 111 111 ARG N N 15 117.089 0.15 . 1 . . . . 111 R N . 6980 1 1202 . 1 1 112 112 MET H H 1 7.560 0.05 . 1 . . . . 112 M H . 6980 1 1203 . 1 1 112 112 MET HA H 1 4.007 0.05 . 1 . . . . 112 M HA . 6980 1 1204 . 1 1 112 112 MET HB2 H 1 2.035 0.05 . 2 . . . . 112 M HB2 . 6980 1 1205 . 1 1 112 112 MET HB3 H 1 1.411 0.05 . 2 . . . . 112 M HB3 . 6980 1 1206 . 1 1 112 112 MET HG2 H 1 1.478 0.05 . 2 . . . . 112 M HG2 . 6980 1 1207 . 1 1 112 112 MET HE1 H 1 1.641 0.05 . 1 . . . . 112 M QE . 6980 1 1208 . 1 1 112 112 MET HE2 H 1 1.641 0.05 . 1 . . . . 112 M QE . 6980 1 1209 . 1 1 112 112 MET HE3 H 1 1.641 0.05 . 1 . . . . 112 M QE . 6980 1 1210 . 1 1 112 112 MET C C 13 178.444 0.15 . 1 . . . . 112 M C . 6980 1 1211 . 1 1 112 112 MET CA C 13 58.120 0.15 . 1 . . . . 112 M CA . 6980 1 1212 . 1 1 112 112 MET CB C 13 31.941 0.15 . 1 . . . . 112 M CB . 6980 1 1213 . 1 1 112 112 MET CG C 13 31.140 0.15 . 1 . . . . 112 M CG . 6980 1 1214 . 1 1 112 112 MET CE C 13 16.604 0.15 . 1 . . . . 112 M CE . 6980 1 1215 . 1 1 112 112 MET N N 15 118.013 0.15 . 1 . . . . 112 M N . 6980 1 1216 . 1 1 113 113 MET H H 1 8.147 0.05 . 1 . . . . 113 M H . 6980 1 1217 . 1 1 113 113 MET HA H 1 3.786 0.05 . 1 . . . . 113 M HA . 6980 1 1218 . 1 1 113 113 MET HB2 H 1 0.691 0.05 . 2 . . . . 113 M HB2 . 6980 1 1219 . 1 1 113 113 MET HG2 H 1 0.702 0.05 . 2 . . . . 113 M HG2 . 6980 1 1220 . 1 1 113 113 MET HG3 H 1 1.437 0.05 . 2 . . . . 113 M HG3 . 6980 1 1221 . 1 1 113 113 MET HE1 H 1 1.713 0.05 . 1 . . . . 113 M QE . 6980 1 1222 . 1 1 113 113 MET HE2 H 1 1.713 0.05 . 1 . . . . 113 M QE . 6980 1 1223 . 1 1 113 113 MET HE3 H 1 1.713 0.05 . 1 . . . . 113 M QE . 6980 1 1224 . 1 1 113 113 MET C C 13 178.525 0.15 . 1 . . . . 113 M C . 6980 1 1225 . 1 1 113 113 MET CA C 13 56.397 0.15 . 1 . . . . 113 M CA . 6980 1 1226 . 1 1 113 113 MET CB C 13 29.938 0.15 . 1 . . . . 113 M CB . 6980 1 1227 . 1 1 113 113 MET CG C 13 31.533 0.15 . 1 . . . . 113 M CG . 6980 1 1228 . 1 1 113 113 MET CE C 13 17.171 0.15 . 1 . . . . 113 M CE . 6980 1 1229 . 1 1 113 113 MET N N 15 118.191 0.15 . 1 . . . . 113 M N . 6980 1 1230 . 1 1 114 114 LEU H H 1 8.356 0.05 . 1 . . . . 114 L H . 6980 1 1231 . 1 1 114 114 LEU HA H 1 4.252 0.05 . 1 . . . . 114 L HA . 6980 1 1232 . 1 1 114 114 LEU HB3 H 1 1.546 0.05 . 2 . . . . 114 L HB3 . 6980 1 1233 . 1 1 114 114 LEU HG H 1 1.447 0.05 . 1 . . . . 114 L HG . 6980 1 1234 . 1 1 114 114 LEU HD11 H 1 0.885 0.05 . 2 . . . . 114 L QD1 . 6980 1 1235 . 1 1 114 114 LEU HD12 H 1 0.885 0.05 . 2 . . . . 114 L QD1 . 6980 1 1236 . 1 1 114 114 LEU HD13 H 1 0.885 0.05 . 2 . . . . 114 L QD1 . 6980 1 1237 . 1 1 114 114 LEU HD21 H 1 0.278 0.05 . 2 . . . . 114 L QD2 . 6980 1 1238 . 1 1 114 114 LEU HD22 H 1 0.278 0.05 . 2 . . . . 114 L QD2 . 6980 1 1239 . 1 1 114 114 LEU HD23 H 1 0.278 0.05 . 2 . . . . 114 L QD2 . 6980 1 1240 . 1 1 114 114 LEU C C 13 178.310 0.15 . 1 . . . . 114 L C . 6980 1 1241 . 1 1 114 114 LEU CA C 13 55.312 0.15 . 1 . . . . 114 L CA . 6980 1 1242 . 1 1 114 114 LEU CB C 13 42.991 0.15 . 1 . . . . 114 L CB . 6980 1 1243 . 1 1 114 114 LEU CD1 C 13 23.269 0.15 . 2 . . . . 114 L CD1 . 6980 1 1244 . 1 1 114 114 LEU CD2 C 13 25.374 0.15 . 2 . . . . 114 L CD2 . 6980 1 1245 . 1 1 114 114 LEU N N 15 116.888 0.15 . 1 . . . . 114 L N . 6980 1 1246 . 1 1 115 115 GLY H H 1 7.234 0.05 . 1 . . . . 115 G H . 6980 1 1247 . 1 1 115 115 GLY HA2 H 1 4.272 0.05 . 2 . . . . 115 G HA2 . 6980 1 1248 . 1 1 115 115 GLY HA3 H 1 3.948 0.05 . 2 . . . . 115 G HA3 . 6980 1 1249 . 1 1 115 115 GLY C C 13 173.457 0.15 . 1 . . . . 115 G C . 6980 1 1250 . 1 1 115 115 GLY CA C 13 45.162 0.15 . 1 . . . . 115 G CA . 6980 1 1251 . 1 1 115 115 GLY N N 15 107.387 0.15 . 1 . . . . 115 G N . 6980 1 1252 . 1 1 116 116 LYS H H 1 8.324 0.05 . 1 . . . . 116 K H . 6980 1 1253 . 1 1 116 116 LYS HA H 1 4.306 0.05 . 1 . . . . 116 K HA . 6980 1 1254 . 1 1 116 116 LYS HB2 H 1 1.756 0.05 . 2 . . . . 116 K HB2 . 6980 1 1255 . 1 1 116 116 LYS HB3 H 1 1.927 0.05 . 2 . . . . 116 K HB3 . 6980 1 1256 . 1 1 116 116 LYS HG2 H 1 1.480 0.05 . 2 . . . . 116 K HG2 . 6980 1 1257 . 1 1 116 116 LYS HD2 H 1 1.679 0.05 . 2 . . . . 116 K HD2 . 6980 1 1258 . 1 1 116 116 LYS HE2 H 1 2.992 0.05 . 2 . . . . 116 K HE2 . 6980 1 1259 . 1 1 116 116 LYS C C 13 177.802 0.15 . 1 . . . . 116 K C . 6980 1 1260 . 1 1 116 116 LYS CA C 13 56.434 0.15 . 1 . . . . 116 K CA . 6980 1 1261 . 1 1 116 116 LYS CB C 13 32.902 0.15 . 1 . . . . 116 K CB . 6980 1 1262 . 1 1 116 116 LYS CG C 13 24.953 0.15 . 1 . . . . 116 K CG . 6980 1 1263 . 1 1 116 116 LYS CD C 13 28.854 0.15 . 1 . . . . 116 K CD . 6980 1 1264 . 1 1 116 116 LYS CE C 13 42.245 0.15 . 1 . . . . 116 K CE . 6980 1 1265 . 1 1 116 116 LYS N N 15 117.782 0.15 . 1 . . . . 116 K N . 6980 1 1266 . 1 1 117 117 ARG H H 1 7.916 0.05 . 1 . . . . 117 R H . 6980 1 1267 . 1 1 117 117 ARG HA H 1 4.252 0.05 . 1 . . . . 117 R HA . 6980 1 1268 . 1 1 117 117 ARG HB2 H 1 1.786 0.05 . 2 . . . . 117 R HB2 . 6980 1 1269 . 1 1 117 117 ARG HD2 H 1 3.169 0.05 . 2 . . . . 117 R HD2 . 6980 1 1270 . 1 1 117 117 ARG CA C 13 56.126 0.15 . 1 . . . . 117 R CA . 6980 1 1271 . 1 1 117 117 ARG CB C 13 30.843 0.15 . 1 . . . . 117 R CB . 6980 1 1272 . 1 1 117 117 ARG N N 15 120.094 0.15 . 1 . . . . 117 R N . 6980 1 1273 . 1 1 118 118 SER HA H 1 4.360 0.05 . 1 . . . . 118 S HA . 6980 1 1274 . 1 1 118 118 SER HB3 H 1 3.822 0.05 . 2 . . . . 118 S HB3 . 6980 1 1275 . 1 1 118 118 SER C C 13 173.773 0.15 . 1 . . . . 118 S C . 6980 1 1276 . 1 1 118 118 SER CA C 13 57.956 0.15 . 1 . . . . 118 S CA . 6980 1 1277 . 1 1 118 118 SER CB C 13 63.022 0.15 . 1 . . . . 118 S CB . 6980 1 1278 . 1 1 119 119 ALA H H 1 7.576 0.05 . 1 . . . . 119 A H . 6980 1 1279 . 1 1 119 119 ALA HA H 1 4.379 0.05 . 1 . . . . 119 A HA . 6980 1 1280 . 1 1 119 119 ALA HB1 H 1 1.288 0.05 . 1 . . . . 119 A QB . 6980 1 1281 . 1 1 119 119 ALA HB2 H 1 1.288 0.05 . 1 . . . . 119 A QB . 6980 1 1282 . 1 1 119 119 ALA HB3 H 1 1.288 0.05 . 1 . . . . 119 A QB . 6980 1 1283 . 1 1 119 119 ALA C C 13 177.674 0.15 . 1 . . . . 119 A C . 6980 1 1284 . 1 1 119 119 ALA CA C 13 51.963 0.15 . 1 . . . . 119 A CA . 6980 1 1285 . 1 1 119 119 ALA CB C 13 20.204 0.15 . 1 . . . . 119 A CB . 6980 1 1286 . 1 1 119 119 ALA N N 15 125.266 0.15 . 1 . . . . 119 A N . 6980 1 1287 . 1 1 120 120 ILE H H 1 9.558 0.05 . 1 . . . . 120 I H . 6980 1 1288 . 1 1 120 120 ILE HA H 1 3.686 0.05 . 1 . . . . 120 I HA . 6980 1 1289 . 1 1 120 120 ILE HB H 1 1.847 0.05 . 1 . . . . 120 I HB . 6980 1 1290 . 1 1 120 120 ILE HG12 H 1 1.338 0.05 . 2 . . . . 120 I HG12 . 6980 1 1291 . 1 1 120 120 ILE HG13 H 1 1.717 0.05 . 2 . . . . 120 I HG13 . 6980 1 1292 . 1 1 120 120 ILE HG21 H 1 0.856 0.05 . 1 . . . . 120 I QG2 . 6980 1 1293 . 1 1 120 120 ILE HG22 H 1 0.856 0.05 . 1 . . . . 120 I QG2 . 6980 1 1294 . 1 1 120 120 ILE HG23 H 1 0.856 0.05 . 1 . . . . 120 I QG2 . 6980 1 1295 . 1 1 120 120 ILE HD11 H 1 0.829 0.05 . 1 . . . . 120 I QD1 . 6980 1 1296 . 1 1 120 120 ILE HD12 H 1 0.829 0.05 . 1 . . . . 120 I QD1 . 6980 1 1297 . 1 1 120 120 ILE HD13 H 1 0.829 0.05 . 1 . . . . 120 I QD1 . 6980 1 1298 . 1 1 120 120 ILE C C 13 178.851 0.15 . 1 . . . . 120 I C . 6980 1 1299 . 1 1 120 120 ILE CA C 13 64.908 0.15 . 1 . . . . 120 I CA . 6980 1 1300 . 1 1 120 120 ILE CB C 13 36.846 0.15 . 1 . . . . 120 I CB . 6980 1 1301 . 1 1 120 120 ILE CG1 C 13 28.533 0.15 . 1 . . . . 120 I CG1 . 6980 1 1302 . 1 1 120 120 ILE CG2 C 13 17.681 0.15 . 1 . . . . 120 I CG2 . 6980 1 1303 . 1 1 120 120 ILE CD1 C 13 11.973 0.15 . 1 . . . . 120 I CD1 . 6980 1 1304 . 1 1 120 120 ILE N N 15 125.471 0.15 . 1 . . . . 120 I N . 6980 1 1305 . 1 1 121 121 LEU H H 1 9.089 0.05 . 1 . . . . 121 L H . 6980 1 1306 . 1 1 121 121 LEU HA H 1 4.014 0.05 . 1 . . . . 121 L HA . 6980 1 1307 . 1 1 121 121 LEU HB2 H 1 1.364 0.05 . 2 . . . . 121 L HB2 . 6980 1 1308 . 1 1 121 121 LEU HB3 H 1 1.518 0.05 . 2 . . . . 121 L HB3 . 6980 1 1309 . 1 1 121 121 LEU HD11 H 1 1.011 0.05 . 2 . . . . 121 L QD1 . 6980 1 1310 . 1 1 121 121 LEU HD12 H 1 1.011 0.05 . 2 . . . . 121 L QD1 . 6980 1 1311 . 1 1 121 121 LEU HD13 H 1 1.011 0.05 . 2 . . . . 121 L QD1 . 6980 1 1312 . 1 1 121 121 LEU HD21 H 1 0.813 0.05 . 2 . . . . 121 L QD2 . 6980 1 1313 . 1 1 121 121 LEU HD22 H 1 0.813 0.05 . 2 . . . . 121 L QD2 . 6980 1 1314 . 1 1 121 121 LEU HD23 H 1 0.813 0.05 . 2 . . . . 121 L QD2 . 6980 1 1315 . 1 1 121 121 LEU C C 13 177.234 0.15 . 1 . . . . 121 L C . 6980 1 1316 . 1 1 121 121 LEU CA C 13 57.649 0.15 . 1 . . . . 121 L CA . 6980 1 1317 . 1 1 121 121 LEU CB C 13 41.500 0.15 . 1 . . . . 121 L CB . 6980 1 1318 . 1 1 121 121 LEU CD1 C 13 24.037 0.15 . 2 . . . . 121 L CD1 . 6980 1 1319 . 1 1 121 121 LEU CD2 C 13 26.127 0.15 . 2 . . . . 121 L CD2 . 6980 1 1320 . 1 1 121 121 LEU N N 15 117.621 0.15 . 1 . . . . 121 L N . 6980 1 1321 . 1 1 122 122 LYS H H 1 6.557 0.05 . 1 . . . . 122 K H . 6980 1 1322 . 1 1 122 122 LYS HA H 1 3.664 0.05 . 1 . . . . 122 K HA . 6980 1 1323 . 1 1 122 122 LYS HB2 H 1 1.654 0.05 . 2 . . . . 122 K HB2 . 6980 1 1324 . 1 1 122 122 LYS HB3 H 1 2.036 0.05 . 2 . . . . 122 K HB3 . 6980 1 1325 . 1 1 122 122 LYS HG2 H 1 1.320 0.05 . 2 . . . . 122 K HG2 . 6980 1 1326 . 1 1 122 122 LYS HE2 H 1 3.010 0.05 . 2 . . . . 122 K HE2 . 6980 1 1327 . 1 1 122 122 LYS C C 13 177.137 0.15 . 1 . . . . 122 K C . 6980 1 1328 . 1 1 122 122 LYS CA C 13 60.121 0.15 . 1 . . . . 122 K CA . 6980 1 1329 . 1 1 122 122 LYS CB C 13 33.411 0.15 . 1 . . . . 122 K CB . 6980 1 1330 . 1 1 122 122 LYS CG C 13 25.361 0.15 . 1 . . . . 122 K CG . 6980 1 1331 . 1 1 122 122 LYS CD C 13 30.677 0.15 . 1 . . . . 122 K CD . 6980 1 1332 . 1 1 122 122 LYS N N 15 116.971 0.15 . 1 . . . . 122 K N . 6980 1 1333 . 1 1 123 123 MET H H 1 7.611 0.05 . 1 . . . . 123 M H . 6980 1 1334 . 1 1 123 123 MET HA H 1 4.154 0.05 . 1 . . . . 123 M HA . 6980 1 1335 . 1 1 123 123 MET HB2 H 1 2.235 0.05 . 2 . . . . 123 M HB2 . 6980 1 1336 . 1 1 123 123 MET HG2 H 1 2.673 0.05 . 2 . . . . 123 M HG2 . 6980 1 1337 . 1 1 123 123 MET HG3 H 1 2.549 0.05 . 2 . . . . 123 M HG3 . 6980 1 1338 . 1 1 123 123 MET C C 13 179.155 0.15 . 1 . . . . 123 M C . 6980 1 1339 . 1 1 123 123 MET CA C 13 58.333 0.15 . 1 . . . . 123 M CA . 6980 1 1340 . 1 1 123 123 MET CB C 13 31.833 0.15 . 1 . . . . 123 M CB . 6980 1 1341 . 1 1 123 123 MET CG C 13 32.037 0.15 . 1 . . . . 123 M CG . 6980 1 1342 . 1 1 123 123 MET N N 15 116.042 0.15 . 1 . . . . 123 M N . 6980 1 1343 . 1 1 124 124 ILE H H 1 7.971 0.05 . 1 . . . . 124 I H . 6980 1 1344 . 1 1 124 124 ILE HA H 1 3.713 0.05 . 1 . . . . 124 I HA . 6980 1 1345 . 1 1 124 124 ILE HB H 1 1.866 0.05 . 1 . . . . 124 I HB . 6980 1 1346 . 1 1 124 124 ILE HG12 H 1 1.093 0.05 . 2 . . . . 124 I HG12 . 6980 1 1347 . 1 1 124 124 ILE HG21 H 1 0.848 0.05 . 1 . . . . 124 I QG2 . 6980 1 1348 . 1 1 124 124 ILE HG22 H 1 0.848 0.05 . 1 . . . . 124 I QG2 . 6980 1 1349 . 1 1 124 124 ILE HG23 H 1 0.848 0.05 . 1 . . . . 124 I QG2 . 6980 1 1350 . 1 1 124 124 ILE HD11 H 1 0.806 0.05 . 1 . . . . 124 I QD1 . 6980 1 1351 . 1 1 124 124 ILE HD12 H 1 0.806 0.05 . 1 . . . . 124 I QD1 . 6980 1 1352 . 1 1 124 124 ILE HD13 H 1 0.806 0.05 . 1 . . . . 124 I QD1 . 6980 1 1353 . 1 1 124 124 ILE C C 13 177.857 0.15 . 1 . . . . 124 I C . 6980 1 1354 . 1 1 124 124 ILE CA C 13 65.089 0.15 . 1 . . . . 124 I CA . 6980 1 1355 . 1 1 124 124 ILE CB C 13 38.814 0.15 . 1 . . . . 124 I CB . 6980 1 1356 . 1 1 124 124 ILE CG1 C 13 28.619 0.15 . 1 . . . . 124 I CG1 . 6980 1 1357 . 1 1 124 124 ILE CG2 C 13 17.227 0.15 . 1 . . . . 124 I CG2 . 6980 1 1358 . 1 1 124 124 ILE CD1 C 13 14.489 0.15 . 1 . . . . 124 I CD1 . 6980 1 1359 . 1 1 124 124 ILE N N 15 119.079 0.15 . 1 . . . . 124 I N . 6980 1 1360 . 1 1 125 125 LEU H H 1 7.958 0.05 . 1 . . . . 125 L H . 6980 1 1361 . 1 1 125 125 LEU HA H 1 4.169 0.05 . 1 . . . . 125 L HA . 6980 1 1362 . 1 1 125 125 LEU HB2 H 1 1.515 0.05 . 2 . . . . 125 L HB2 . 6980 1 1363 . 1 1 125 125 LEU HB3 H 1 1.835 0.05 . 2 . . . . 125 L HB3 . 6980 1 1364 . 1 1 125 125 LEU HG H 1 1.873 0.05 . 1 . . . . 125 L HG . 6980 1 1365 . 1 1 125 125 LEU HD11 H 1 0.935 0.05 . 2 . . . . 125 L QD1 . 6980 1 1366 . 1 1 125 125 LEU HD12 H 1 0.935 0.05 . 2 . . . . 125 L QD1 . 6980 1 1367 . 1 1 125 125 LEU HD13 H 1 0.935 0.05 . 2 . . . . 125 L QD1 . 6980 1 1368 . 1 1 125 125 LEU HD21 H 1 1.111 0.05 . 2 . . . . 125 L QD2 . 6980 1 1369 . 1 1 125 125 LEU HD22 H 1 1.111 0.05 . 2 . . . . 125 L QD2 . 6980 1 1370 . 1 1 125 125 LEU HD23 H 1 1.111 0.05 . 2 . . . . 125 L QD2 . 6980 1 1371 . 1 1 125 125 LEU C C 13 178.445 0.15 . 1 . . . . 125 L C . 6980 1 1372 . 1 1 125 125 LEU CA C 13 56.773 0.15 . 1 . . . . 125 L CA . 6980 1 1373 . 1 1 125 125 LEU CB C 13 41.699 0.15 . 1 . . . . 125 L CB . 6980 1 1374 . 1 1 125 125 LEU CD1 C 13 22.028 0.15 . 2 . . . . 125 L CD1 . 6980 1 1375 . 1 1 125 125 LEU CD2 C 13 26.521 0.15 . 2 . . . . 125 L CD2 . 6980 1 1376 . 1 1 125 125 LEU N N 15 116.353 0.15 . 1 . . . . 125 L N . 6980 1 1377 . 1 1 126 126 MET H H 1 7.993 0.05 . 1 . . . . 126 M H . 6980 1 1378 . 1 1 126 126 MET HA H 1 4.434 0.05 . 1 . . . . 126 M HA . 6980 1 1379 . 1 1 126 126 MET HB3 H 1 2.063 0.05 . 2 . . . . 126 M HB3 . 6980 1 1380 . 1 1 126 126 MET HG2 H 1 2.666 0.05 . 2 . . . . 126 M HG2 . 6980 1 1381 . 1 1 126 126 MET HG3 H 1 2.526 0.05 . 2 . . . . 126 M HG3 . 6980 1 1382 . 1 1 126 126 MET HE1 H 1 1.712 0.05 . 1 . . . . 126 M QE . 6980 1 1383 . 1 1 126 126 MET HE2 H 1 1.712 0.05 . 1 . . . . 126 M QE . 6980 1 1384 . 1 1 126 126 MET HE3 H 1 1.712 0.05 . 1 . . . . 126 M QE . 6980 1 1385 . 1 1 126 126 MET C C 13 176.922 0.15 . 1 . . . . 126 M C . 6980 1 1386 . 1 1 126 126 MET CA C 13 56.419 0.15 . 1 . . . . 126 M CA . 6980 1 1387 . 1 1 126 126 MET CB C 13 32.070 0.15 . 1 . . . . 126 M CB . 6980 1 1388 . 1 1 126 126 MET CG C 13 32.183 0.15 . 1 . . . . 126 M CG . 6980 1 1389 . 1 1 126 126 MET CE C 13 17.188 0.15 . 1 . . . . 126 M CE . 6980 1 1390 . 1 1 126 126 MET N N 15 116.401 0.15 . 1 . . . . 126 M N . 6980 1 1391 . 1 1 127 127 TYR H H 1 7.794 0.05 . 1 . . . . 127 Y H . 6980 1 1392 . 1 1 127 127 TYR HA H 1 4.447 0.05 . 1 . . . . 127 Y HA . 6980 1 1393 . 1 1 127 127 TYR HB2 H 1 3.137 0.05 . 2 . . . . 127 Y HB2 . 6980 1 1394 . 1 1 127 127 TYR HD1 H 1 7.151 0.05 . 4 . . . . 127 Y QD . 6980 1 1395 . 1 1 127 127 TYR HD2 H 1 7.151 0.05 . 4 . . . . 127 Y QD . 6980 1 1396 . 1 1 127 127 TYR C C 13 176.574 0.15 . 1 . . . . 127 Y C . 6980 1 1397 . 1 1 127 127 TYR CA C 13 59.329 0.15 . 1 . . . . 127 Y CA . 6980 1 1398 . 1 1 127 127 TYR CB C 13 38.258 0.15 . 1 . . . . 127 Y CB . 6980 1 1399 . 1 1 127 127 TYR N N 15 120.043 0.15 . 1 . . . . 127 Y N . 6980 1 1400 . 1 1 128 128 GLU H H 1 8.139 0.05 . 1 . . . . 128 E H . 6980 1 1401 . 1 1 128 128 GLU HB2 H 1 1.939 0.05 . 2 . . . . 128 E HB2 . 6980 1 1402 . 1 1 128 128 GLU HB3 H 1 2.045 0.05 . 2 . . . . 128 E HB3 . 6980 1 1403 . 1 1 128 128 GLU HG2 H 1 2.232 0.05 . 2 . . . . 128 E HG2 . 6980 1 1404 . 1 1 128 128 GLU CA C 13 56.985 0.15 . 1 . . . . 128 E CA . 6980 1 1405 . 1 1 128 128 GLU CB C 13 30.020 0.15 . 1 . . . . 128 E CB . 6980 1 1406 . 1 1 128 128 GLU N N 15 121.704 0.15 . 1 . . . . 128 E N . 6980 1 1407 . 1 1 130 130 LYS H H 1 8.195 0.05 . 1 . . . . 130 K H . 6980 1 1408 . 1 1 130 130 LYS HA H 1 4.206 0.05 . 1 . . . . 130 K HA . 6980 1 1409 . 1 1 130 130 LYS HB3 H 1 1.790 0.05 . 2 . . . . 130 K HB3 . 6980 1 1410 . 1 1 130 130 LYS HG3 H 1 1.404 0.05 . 2 . . . . 130 K HG3 . 6980 1 1411 . 1 1 130 130 LYS C C 13 177.134 0.15 . 1 . . . . 130 K C . 6980 1 1412 . 1 1 130 130 LYS CA C 13 56.893 0.15 . 1 . . . . 130 K CA . 6980 1 1413 . 1 1 130 130 LYS CB C 13 32.630 0.15 . 1 . . . . 130 K CB . 6980 1 1414 . 1 1 130 130 LYS CG C 13 24.738 0.15 . 1 . . . . 130 K CG . 6980 1 1415 . 1 1 130 130 LYS CE C 13 42.084 0.15 . 1 . . . . 130 K CE . 6980 1 1416 . 1 1 130 130 LYS N N 15 121.709 0.15 . 1 . . . . 130 K N . 6980 1 1417 . 1 1 131 131 ALA H H 1 8.163 0.05 . 1 . . . . 131 A H . 6980 1 1418 . 1 1 131 131 ALA HA H 1 4.211 0.05 . 1 . . . . 131 A HA . 6980 1 1419 . 1 1 131 131 ALA HB1 H 1 1.367 0.05 . 1 . . . . 131 A QB . 6980 1 1420 . 1 1 131 131 ALA HB2 H 1 1.367 0.05 . 1 . . . . 131 A QB . 6980 1 1421 . 1 1 131 131 ALA HB3 H 1 1.367 0.05 . 1 . . . . 131 A QB . 6980 1 1422 . 1 1 131 131 ALA C C 13 178.335 0.15 . 1 . . . . 131 A C . 6980 1 1423 . 1 1 131 131 ALA CA C 13 53.174 0.15 . 1 . . . . 131 A CA . 6980 1 1424 . 1 1 131 131 ALA CB C 13 18.785 0.15 . 1 . . . . 131 A CB . 6980 1 1425 . 1 1 131 131 ALA N N 15 123.896 0.15 . 1 . . . . 131 A N . 6980 1 1426 . 1 1 132 132 ARG H H 1 8.079 0.05 . 1 . . . . 132 R H . 6980 1 1427 . 1 1 132 132 ARG HA H 1 4.248 0.05 . 1 . . . . 132 R HA . 6980 1 1428 . 1 1 132 132 ARG HB2 H 1 1.810 0.05 . 2 . . . . 132 R HB2 . 6980 1 1429 . 1 1 132 132 ARG HB3 H 1 1.779 0.05 . 2 . . . . 132 R HB3 . 6980 1 1430 . 1 1 132 132 ARG C C 13 176.737 0.15 . 1 . . . . 132 R C . 6980 1 1431 . 1 1 132 132 ARG CA C 13 56.527 0.15 . 1 . . . . 132 R CA . 6980 1 1432 . 1 1 132 132 ARG CB C 13 30.720 0.15 . 1 . . . . 132 R CB . 6980 1 1433 . 1 1 132 132 ARG CG C 13 27.032 0.15 . 1 . . . . 132 R CG . 6980 1 1434 . 1 1 132 132 ARG CD C 13 43.407 0.15 . 1 . . . . 132 R CD . 6980 1 1435 . 1 1 132 132 ARG N N 15 119.361 0.15 . 1 . . . . 132 R N . 6980 1 1436 . 1 1 133 133 GLU H H 1 8.203 0.05 . 1 . . . . 133 E H . 6980 1 1437 . 1 1 133 133 GLU HA H 1 4.210 0.05 . 1 . . . . 133 E HA . 6980 1 1438 . 1 1 133 133 GLU HB2 H 1 2.020 0.05 . 2 . . . . 133 E HB2 . 6980 1 1439 . 1 1 133 133 GLU HG2 H 1 2.256 0.05 . 2 . . . . 133 E HG2 . 6980 1 1440 . 1 1 133 133 GLU C C 13 177.320 0.15 . 1 . . . . 133 E C . 6980 1 1441 . 1 1 133 133 GLU CA C 13 57.077 0.15 . 1 . . . . 133 E CA . 6980 1 1442 . 1 1 133 133 GLU CB C 13 30.122 0.15 . 1 . . . . 133 E CB . 6980 1 1443 . 1 1 133 133 GLU CG C 13 36.296 0.15 . 1 . . . . 133 E CG . 6980 1 1444 . 1 1 133 133 GLU N N 15 121.476 0.15 . 1 . . . . 133 E N . 6980 1 1445 . 1 1 134 134 LYS H H 1 8.186 0.05 . 1 . . . . 134 K H . 6980 1 1446 . 1 1 134 134 LYS HA H 1 4.246 0.05 . 1 . . . . 134 K HA . 6980 1 1447 . 1 1 134 134 LYS HB2 H 1 1.763 0.05 . 2 . . . . 134 K HB2 . 6980 1 1448 . 1 1 134 134 LYS C C 13 176.637 0.15 . 1 . . . . 134 K C . 6980 1 1449 . 1 1 134 134 LYS CA C 13 56.626 0.15 . 1 . . . . 134 K CA . 6980 1 1450 . 1 1 134 134 LYS CB C 13 32.965 0.15 . 1 . . . . 134 K CB . 6980 1 1451 . 1 1 134 134 LYS N N 15 121.410 0.15 . 1 . . . . 134 K N . 6980 1 1452 . 1 1 135 135 GLU HG2 H 1 2.128 0.05 . 2 . . . . 135 E HG2 . 6980 1 1453 . 1 1 135 135 GLU H H 1 8.250 0.05 . 1 . . . . 135 E H . 6980 1 1454 . 1 1 135 135 GLU HA H 1 4.239 0.05 . 1 . . . . 135 E HA . 6980 1 1455 . 1 1 135 135 GLU HB2 H 1 1.930 0.05 . 2 . . . . 135 E HB2 . 6980 1 1456 . 1 1 135 135 GLU HB3 H 1 2.010 0.05 . 2 . . . . 135 E HB3 . 6980 1 1457 . 1 1 135 135 GLU HG3 H 1 2.247 0.05 . 2 . . . . 135 E HG3 . 6980 1 1458 . 1 1 135 135 GLU C C 13 176.232 0.15 . 1 . . . . 135 E C . 6980 1 1459 . 1 1 135 135 GLU CA C 13 56.261 0.15 . 1 . . . . 135 E CA . 6980 1 1460 . 1 1 135 135 GLU CB C 13 30.297 0.15 . 1 . . . . 135 E CB . 6980 1 1461 . 1 1 135 135 GLU CG C 13 36.218 0.15 . 1 . . . . 135 E CG . 6980 1 1462 . 1 1 135 135 GLU N N 15 121.347 0.15 . 1 . . . . 135 E N . 6980 1 1463 . 1 1 136 136 LYS H H 1 8.299 0.05 . 1 . . . . 136 K H . 6980 1 1464 . 1 1 136 136 LYS HA H 1 4.576 0.05 . 1 . . . . 136 K HA . 6980 1 1465 . 1 1 136 136 LYS HB2 H 1 1.725 0.05 . 2 . . . . 136 K HB2 . 6980 1 1466 . 1 1 136 136 LYS HB3 H 1 1.815 0.05 . 2 . . . . 136 K HB3 . 6980 1 1467 . 1 1 136 136 LYS HG2 H 1 1.479 0.05 . 2 . . . . 136 K HG2 . 6980 1 1468 . 1 1 136 136 LYS HE2 H 1 2.609 0.05 . 2 . . . . 136 K HE2 . 6980 1 1469 . 1 1 136 136 LYS HE3 H 1 2.701 0.05 . 2 . . . . 136 K HE3 . 6980 1 1470 . 1 1 136 136 LYS CA C 13 54.356 0.15 . 1 . . . . 136 K CA . 6980 1 1471 . 1 1 136 136 LYS CB C 13 32.096 0.15 . 1 . . . . 136 K CB . 6980 1 1472 . 1 1 136 136 LYS CE C 13 41.034 0.15 . 1 . . . . 136 K CE . 6980 1 1473 . 1 1 136 136 LYS N N 15 123.683 0.15 . 1 . . . . 136 K N . 6980 1 1474 . 1 1 137 137 PRO HA H 1 4.515 0.05 . 1 . . . . 137 P HA . 6980 1 1475 . 1 1 137 137 PRO HB2 H 1 2.312 0.05 . 2 . . . . 137 P HB2 . 6980 1 1476 . 1 1 137 137 PRO HB3 H 1 1.942 0.05 . 2 . . . . 137 P HB3 . 6980 1 1477 . 1 1 137 137 PRO HG3 H 1 2.017 0.05 . 2 . . . . 137 P HG3 . 6980 1 1478 . 1 1 137 137 PRO HD2 H 1 3.649 0.05 . 2 . . . . 137 P HD2 . 6980 1 1479 . 1 1 137 137 PRO HD3 H 1 3.817 0.05 . 2 . . . . 137 P HD3 . 6980 1 1480 . 1 1 137 137 PRO C C 13 177.265 0.15 . 1 . . . . 137 P C . 6980 1 1481 . 1 1 137 137 PRO CA C 13 63.211 0.15 . 1 . . . . 137 P CA . 6980 1 1482 . 1 1 137 137 PRO CB C 13 32.114 0.15 . 1 . . . . 137 P CB . 6980 1 1483 . 1 1 137 137 PRO CG C 13 27.364 0.15 . 1 . . . . 137 P CG . 6980 1 1484 . 1 1 137 137 PRO CD C 13 50.643 0.15 . 1 . . . . 137 P CD . 6980 1 1485 . 1 1 138 138 THR H H 1 8.314 0.05 . 1 . . . . 138 T H . 6980 1 1486 . 1 1 138 138 THR HB H 1 4.257 0.05 . 1 . . . . 138 T HB . 6980 1 1487 . 1 1 138 138 THR HG21 H 1 1.216 0.05 . 1 . . . . 138 T QG2 . 6980 1 1488 . 1 1 138 138 THR HG22 H 1 1.216 0.05 . 1 . . . . 138 T QG2 . 6980 1 1489 . 1 1 138 138 THR HG23 H 1 1.216 0.05 . 1 . . . . 138 T QG2 . 6980 1 1490 . 1 1 138 138 THR C C 13 174.857 0.15 . 1 . . . . 138 T C . 6980 1 1491 . 1 1 138 138 THR CA C 13 61.692 0.15 . 1 . . . . 138 T CA . 6980 1 1492 . 1 1 138 138 THR CB C 13 69.916 0.15 . 1 . . . . 138 T CB . 6980 1 1493 . 1 1 138 138 THR CG2 C 13 21.623 0.15 . 1 . . . . 138 T CG2 . 6980 1 1494 . 1 1 138 138 THR N N 15 114.270 0.15 . 1 . . . . 138 T N . 6980 1 1495 . 1 1 139 139 GLY H H 1 8.179 0.05 . 1 . . . . 139 G H . 6980 1 1496 . 1 1 139 139 GLY CA C 13 44.459 0.15 . 1 . . . . 139 G CA . 6980 1 1497 . 1 1 139 139 GLY N N 15 111.144 0.15 . 1 . . . . 139 G N . 6980 1 1498 . 1 1 141 141 PRO HA H 1 4.404 0.05 . 1 . . . . 141 P HA . 6980 1 1499 . 1 1 141 141 PRO HB2 H 1 2.275 0.05 . 2 . . . . 141 P HB2 . 6980 1 1500 . 1 1 141 141 PRO HB3 H 1 1.899 0.05 . 2 . . . . 141 P HB3 . 6980 1 1501 . 1 1 141 141 PRO HG3 H 1 2.018 0.05 . 2 . . . . 141 P HG3 . 6980 1 1502 . 1 1 141 141 PRO HD2 H 1 3.623 0.05 . 2 . . . . 141 P HD2 . 6980 1 1503 . 1 1 141 141 PRO C C 13 176.664 0.15 . 1 . . . . 141 P C . 6980 1 1504 . 1 1 141 141 PRO CA C 13 62.925 0.15 . 1 . . . . 141 P CA . 6980 1 1505 . 1 1 141 141 PRO CB C 13 32.016 0.15 . 1 . . . . 141 P CB . 6980 1 1506 . 1 1 141 141 PRO CG C 13 27.332 0.15 . 1 . . . . 141 P CG . 6980 1 1507 . 1 1 141 141 PRO CD C 13 50.453 0.15 . 1 . . . . 141 P CD . 6980 1 1508 . 1 1 142 142 ALA H H 1 8.364 0.05 . 1 . . . . 142 A H . 6980 1 1509 . 1 1 142 142 ALA HA H 1 4.247 0.05 . 1 . . . . 142 A HA . 6980 1 1510 . 1 1 142 142 ALA HB1 H 1 1.360 0.05 . 1 . . . . 142 A QB . 6980 1 1511 . 1 1 142 142 ALA HB2 H 1 1.360 0.05 . 1 . . . . 142 A QB . 6980 1 1512 . 1 1 142 142 ALA HB3 H 1 1.360 0.05 . 1 . . . . 142 A QB . 6980 1 1513 . 1 1 142 142 ALA C C 13 177.738 0.15 . 1 . . . . 142 A C . 6980 1 1514 . 1 1 142 142 ALA CA C 13 52.385 0.15 . 1 . . . . 142 A CA . 6980 1 1515 . 1 1 142 142 ALA CB C 13 19.235 0.15 . 1 . . . . 142 A CB . 6980 1 1516 . 1 1 142 142 ALA N N 15 124.389 0.15 . 1 . . . . 142 A N . 6980 1 1517 . 1 1 143 143 LYS H H 1 8.271 0.05 . 1 . . . . 143 K H . 6980 1 1518 . 1 1 143 143 LYS HA H 1 4.257 0.05 . 1 . . . . 143 K HA . 6980 1 1519 . 1 1 143 143 LYS HB2 H 1 1.715 0.05 . 2 . . . . 143 K HB2 . 6980 1 1520 . 1 1 143 143 LYS HG3 H 1 1.422 0.05 . 2 . . . . 143 K HG3 . 6980 1 1521 . 1 1 143 143 LYS C C 13 176.367 0.15 . 1 . . . . 143 K C . 6980 1 1522 . 1 1 143 143 LYS CA C 13 56.313 0.15 . 1 . . . . 143 K CA . 6980 1 1523 . 1 1 143 143 LYS CB C 13 33.161 0.15 . 1 . . . . 143 K CB . 6980 1 1524 . 1 1 143 143 LYS CG C 13 24.689 0.15 . 1 . . . . 143 K CG . 6980 1 1525 . 1 1 143 143 LYS CD C 13 29.149 0.15 . 1 . . . . 143 K CD . 6980 1 1526 . 1 1 143 143 LYS CE C 13 42.078 0.15 . 1 . . . . 143 K CE . 6980 1 1527 . 1 1 143 143 LYS N N 15 121.086 0.15 . 1 . . . . 143 K N . 6980 1 1528 . 1 1 144 144 LYS H H 1 8.308 0.05 . 1 . . . . 144 K H . 6980 1 1529 . 1 1 144 144 LYS HA H 1 4.268 0.05 . 1 . . . . 144 K HA . 6980 1 1530 . 1 1 144 144 LYS HB3 H 1 1.724 0.05 . 2 . . . . 144 K HB3 . 6980 1 1531 . 1 1 144 144 LYS HG2 H 1 1.436 0.05 . 2 . . . . 144 K HG2 . 6980 1 1532 . 1 1 144 144 LYS HE3 H 1 2.974 0.05 . 2 . . . . 144 K HE3 . 6980 1 1533 . 1 1 144 144 LYS C C 13 176.113 0.15 . 1 . . . . 144 K C . 6980 1 1534 . 1 1 144 144 LYS CA C 13 56.176 0.15 . 1 . . . . 144 K CA . 6980 1 1535 . 1 1 144 144 LYS CB C 13 33.287 0.15 . 1 . . . . 144 K CB . 6980 1 1536 . 1 1 144 144 LYS CG C 13 24.828 0.15 . 1 . . . . 144 K CG . 6980 1 1537 . 1 1 144 144 LYS CD C 13 29.030 0.15 . 1 . . . . 144 K CD . 6980 1 1538 . 1 1 144 144 LYS CE C 13 42.116 0.15 . 1 . . . . 144 K CE . 6980 1 1539 . 1 1 144 144 LYS N N 15 123.442 0.15 . 1 . . . . 144 K N . 6980 1 1540 . 1 1 145 145 ALA H H 1 8.396 0.05 . 1 . . . . 145 A H . 6980 1 1541 . 1 1 145 145 ALA HA H 1 4.321 0.05 . 1 . . . . 145 A HA . 6980 1 1542 . 1 1 145 145 ALA HB1 H 1 1.372 0.05 . 1 . . . . 145 A QB . 6980 1 1543 . 1 1 145 145 ALA HB2 H 1 1.372 0.05 . 1 . . . . 145 A QB . 6980 1 1544 . 1 1 145 145 ALA HB3 H 1 1.372 0.05 . 1 . . . . 145 A QB . 6980 1 1545 . 1 1 145 145 ALA C C 13 177.704 0.15 . 1 . . . . 145 A C . 6980 1 1546 . 1 1 145 145 ALA CA C 13 52.420 0.15 . 1 . . . . 145 A CA . 6980 1 1547 . 1 1 145 145 ALA CB C 13 19.181 0.15 . 1 . . . . 145 A CB . 6980 1 1548 . 1 1 145 145 ALA N N 15 126.137 0.15 . 1 . . . . 145 A N . 6980 1 1549 . 1 1 146 146 ILE H H 1 8.159 0.05 . 1 . . . . 146 I H . 6980 1 1550 . 1 1 146 146 ILE HA H 1 4.152 0.05 . 1 . . . . 146 I HA . 6980 1 1551 . 1 1 146 146 ILE HB H 1 1.865 0.05 . 1 . . . . 146 I HB . 6980 1 1552 . 1 1 146 146 ILE HG12 H 1 1.468 0.05 . 2 . . . . 146 I HG12 . 6980 1 1553 . 1 1 146 146 ILE HG13 H 1 1.194 0.05 . 2 . . . . 146 I HG13 . 6980 1 1554 . 1 1 146 146 ILE HG21 H 1 0.917 0.05 . 1 . . . . 146 I QG2 . 6980 1 1555 . 1 1 146 146 ILE HG22 H 1 0.917 0.05 . 1 . . . . 146 I QG2 . 6980 1 1556 . 1 1 146 146 ILE HG23 H 1 0.917 0.05 . 1 . . . . 146 I QG2 . 6980 1 1557 . 1 1 146 146 ILE HD11 H 1 0.876 0.05 . 1 . . . . 146 I QD1 . 6980 1 1558 . 1 1 146 146 ILE HD12 H 1 0.876 0.05 . 1 . . . . 146 I QD1 . 6980 1 1559 . 1 1 146 146 ILE HD13 H 1 0.876 0.05 . 1 . . . . 146 I QD1 . 6980 1 1560 . 1 1 146 146 ILE C C 13 176.298 0.15 . 1 . . . . 146 I C . 6980 1 1561 . 1 1 146 146 ILE CA C 13 61.331 0.15 . 1 . . . . 146 I CA . 6980 1 1562 . 1 1 146 146 ILE CB C 13 38.734 0.15 . 1 . . . . 146 I CB . 6980 1 1563 . 1 1 146 146 ILE CG1 C 13 27.126 0.15 . 1 . . . . 146 I CG1 . 6980 1 1564 . 1 1 146 146 ILE CG2 C 13 17.564 0.15 . 1 . . . . 146 I CG2 . 6980 1 1565 . 1 1 146 146 ILE CD1 C 13 13.041 0.15 . 1 . . . . 146 I CD1 . 6980 1 1566 . 1 1 146 146 ILE N N 15 120.141 0.15 . 1 . . . . 146 I N . 6980 1 1567 . 1 1 147 147 SER H H 1 8.263 0.05 . 1 . . . . 147 S H . 6980 1 1568 . 1 1 147 147 SER HA H 1 4.422 0.05 . 1 . . . . 147 S HA . 6980 1 1569 . 1 1 147 147 SER HB3 H 1 3.837 0.05 . 2 . . . . 147 S HB3 . 6980 1 1570 . 1 1 147 147 SER C C 13 174.227 0.15 . 1 . . . . 147 S C . 6980 1 1571 . 1 1 147 147 SER CA C 13 58.179 0.15 . 1 . . . . 147 S CA . 6980 1 1572 . 1 1 147 147 SER CB C 13 63.776 0.15 . 1 . . . . 147 S CB . 6980 1 1573 . 1 1 147 147 SER N N 15 118.926 0.15 . 1 . . . . 147 S N . 6980 1 1574 . 1 1 148 148 GLU H H 1 8.367 0.05 . 1 . . . . 148 E H . 6980 1 1575 . 1 1 148 148 GLU HA H 1 4.304 0.05 . 1 . . . . 148 E HA . 6980 1 1576 . 1 1 148 148 GLU HB2 H 1 1.908 0.05 . 2 . . . . 148 E HB2 . 6980 1 1577 . 1 1 148 148 GLU HB3 H 1 2.050 0.05 . 2 . . . . 148 E HB3 . 6980 1 1578 . 1 1 148 148 GLU HG3 H 1 2.239 0.05 . 2 . . . . 148 E HG3 . 6980 1 1579 . 1 1 148 148 GLU C C 13 175.936 0.15 . 1 . . . . 148 E C . 6980 1 1580 . 1 1 148 148 GLU CA C 13 56.332 0.15 . 1 . . . . 148 E CA . 6980 1 1581 . 1 1 148 148 GLU CB C 13 30.419 0.15 . 1 . . . . 148 E CB . 6980 1 1582 . 1 1 148 148 GLU CG C 13 36.360 0.15 . 1 . . . . 148 E CG . 6980 1 1583 . 1 1 148 148 GLU N N 15 122.952 0.15 . 1 . . . . 148 E N . 6980 1 1584 . 1 1 149 149 LEU H H 1 8.167 0.05 . 1 . . . . 149 L H . 6980 1 1585 . 1 1 149 149 LEU HA H 1 4.599 0.05 . 1 . . . . 149 L HA . 6980 1 1586 . 1 1 149 149 LEU HB2 H 1 1.606 0.05 . 2 . . . . 149 L HB2 . 6980 1 1587 . 1 1 149 149 LEU HD11 H 1 0.938 0.05 . 2 . . . . 149 L QD1 . 6980 1 1588 . 1 1 149 149 LEU HD12 H 1 0.938 0.05 . 2 . . . . 149 L QD1 . 6980 1 1589 . 1 1 149 149 LEU HD13 H 1 0.938 0.05 . 2 . . . . 149 L QD1 . 6980 1 1590 . 1 1 149 149 LEU HD21 H 1 0.908 0.05 . 2 . . . . 149 L QD2 . 6980 1 1591 . 1 1 149 149 LEU HD22 H 1 0.908 0.05 . 2 . . . . 149 L QD2 . 6980 1 1592 . 1 1 149 149 LEU HD23 H 1 0.908 0.05 . 2 . . . . 149 L QD2 . 6980 1 1593 . 1 1 149 149 LEU CA C 13 52.921 0.15 . 1 . . . . 149 L CA . 6980 1 1594 . 1 1 149 149 LEU CB C 13 41.557 0.15 . 1 . . . . 149 L CB . 6980 1 1595 . 1 1 149 149 LEU N N 15 124.763 0.15 . 1 . . . . 149 L N . 6980 1 stop_ save_