data_6104 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6104 _Entry.Title ; Unexpected structure of the Ca2+-regulatory region from soybean calcium-dependent protein kinase-alpha ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-02-19 _Entry.Accession_date 2004-02-19 _Entry.Last_release_date 2005-03-01 _Entry.Original_release_date 2005-03-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 A. Weljie . M. . 6104 2 H. Vogel . J. . 6104 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6104 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 157 6104 '1H chemical shifts' 891 6104 '13C chemical shifts' 531 6104 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-03-01 2004-02-19 original author . 6104 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6103 'N-TERMINAL REGION' 6104 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6104 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15155727 _Citation.Full_citation . _Citation.Title 'Unexpected structure of the Ca2+-regulatory region from soybean calcium-dependent protein kinase-alpha' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 279 _Citation.Journal_issue 34 _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 35494 _Citation.Page_last 35502 _Citation.Year 2004 _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 A. Weljie . M. . 6104 1 2 H. Vogel . J. . 6104 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID EF-hand 6104 1 helix-loop-helix 6104 1 calcium-binding 6104 1 'calmodulin superfamily' 6104 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SK5 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SK5 _Assembly.Entry_ID 6104 _Assembly.ID 1 _Assembly.Name 'Calcium-dependent protein kinase SK5 (E.C.2.7.1.-)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number E.C.2.7.1.- _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6104 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Calcium-dependent protein kinase SK5' 1 $SK5 A . . . . . . . . 6104 1 2 'CALCIUM (II) ION 1' 2 $CA . . . . . . . . . 6104 1 3 'CALCIUM (II) ION 2' 2 $CA . . . . . . . . . 6104 1 4 'CALCIUM (II) ION 3' 2 $CA . . . . . . . . . 6104 1 5 'CALCIUM (II) ION 4' 2 $CA . . . . . . . . . 6104 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1S6I . . . . . . 6104 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Calcium-dependent protein kinase SK5 (E.C.2.7.1.-)' system 6104 1 'Calcium-dependent protein kinase SK5 (E.C.2.7.1.-)' abbreviation 6104 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SK5 _Entity.Sf_category entity _Entity.Sf_framecode SK5 _Entity.Entry_ID 6104 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Calcium-dependent protein kinase SK5' _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 ; AERLSEEEIGGLKELFKMID TDNSGTITFDELKDGLKRVG SELMESEIKDLMDAADIDKS GTIDYGEFIAATVHLNKLER EENLVSAFSYFDKDGSGYIT LDEIQQACKDFGLDDIHIDD MIKEIDQDNDGQIDYGEFAA MMRKRKGNGGIGRRTMRKTL NLRDALGLVDNGSNQVIEGY FKHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers 188 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 1S6I . "Ca2+-Regulatory Region (Cld) From Soybean Calcium-Dependent Protein Kinase-Alpha (Cdpk) In The Presence Of Ca2+ And The Junctio" . . . . . 100.00 188 100.00 100.00 1.21e-130 . . . . 6104 1 2 no GB AAB00806 . "calmcium/calmodulin-dependent protein kinase [Glycine max]" . . . . . 96.81 508 98.90 98.90 4.02e-119 . . . . 6104 1 3 no GB AAP03012 . "seed calcium dependent protein kinase a [Glycine max]" . . . . . 96.81 507 98.35 98.90 6.71e-119 . . . . 6104 1 4 no GB KHN16906 . "Calcium-dependent protein kinase SK5 [Glycine soja]" . . . . . 96.81 508 98.90 98.90 3.49e-119 . . . . 6104 1 5 no GB KHN17436 . "Calcium-dependent protein kinase SK5 [Glycine soja]" . . . . . 96.81 507 98.35 98.90 4.26e-119 . . . . 6104 1 6 no REF NP_001238517 . "calcium-dependent protein kinase SK5 [Glycine max]" . . . . . 96.81 508 98.90 98.90 4.02e-119 . . . . 6104 1 7 no REF NP_001241962 . "calcium-dependent protein kinase SK5-like [Glycine max]" . . . . . 96.81 507 98.35 98.90 6.71e-119 . . . . 6104 1 8 no REF XP_006584637 . "PREDICTED: calcium-dependent protein kinase SK5 isoform X1 [Glycine max]" . . . . . 96.81 537 98.90 98.90 6.54e-119 . . . . 6104 1 9 no SP P28583 . "RecName: Full=Calcium-dependent protein kinase SK5; Short=CDPK [Glycine max]" . . . . . 96.81 508 98.90 98.90 4.02e-119 . . . . 6104 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Calcium-dependent protein kinase SK5' common 6104 1 'Calcium-dependent protein kinase SK5' abbreviation 6104 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 -6 ALA . 6104 1 2 -5 GLU . 6104 1 3 -4 ARG . 6104 1 4 -3 LEU . 6104 1 5 -2 SER . 6104 1 6 -1 GLU . 6104 1 7 0 GLU . 6104 1 8 1 GLU . 6104 1 9 2 ILE . 6104 1 10 3 GLY . 6104 1 11 4 GLY . 6104 1 12 5 LEU . 6104 1 13 6 LYS . 6104 1 14 7 GLU . 6104 1 15 8 LEU . 6104 1 16 9 PHE . 6104 1 17 10 LYS . 6104 1 18 11 MET . 6104 1 19 12 ILE . 6104 1 20 13 ASP . 6104 1 21 14 THR . 6104 1 22 15 ASP . 6104 1 23 16 ASN . 6104 1 24 17 SER . 6104 1 25 18 GLY . 6104 1 26 19 THR . 6104 1 27 20 ILE . 6104 1 28 21 THR . 6104 1 29 22 PHE . 6104 1 30 23 ASP . 6104 1 31 24 GLU . 6104 1 32 25 LEU . 6104 1 33 26 LYS . 6104 1 34 27 ASP . 6104 1 35 28 GLY . 6104 1 36 29 LEU . 6104 1 37 30 LYS . 6104 1 38 31 ARG . 6104 1 39 32 VAL . 6104 1 40 33 GLY . 6104 1 41 34 SER . 6104 1 42 35 GLU . 6104 1 43 36 LEU . 6104 1 44 37 MET . 6104 1 45 38 GLU . 6104 1 46 39 SER . 6104 1 47 40 GLU . 6104 1 48 41 ILE . 6104 1 49 42 LYS . 6104 1 50 43 ASP . 6104 1 51 44 LEU . 6104 1 52 45 MET . 6104 1 53 46 ASP . 6104 1 54 47 ALA . 6104 1 55 48 ALA . 6104 1 56 49 ASP . 6104 1 57 50 ILE . 6104 1 58 51 ASP . 6104 1 59 52 LYS . 6104 1 60 53 SER . 6104 1 61 54 GLY . 6104 1 62 55 THR . 6104 1 63 56 ILE . 6104 1 64 57 ASP . 6104 1 65 58 TYR . 6104 1 66 59 GLY . 6104 1 67 60 GLU . 6104 1 68 61 PHE . 6104 1 69 62 ILE . 6104 1 70 63 ALA . 6104 1 71 64 ALA . 6104 1 72 65 THR . 6104 1 73 66 VAL . 6104 1 74 67 HIS . 6104 1 75 68 LEU . 6104 1 76 69 ASN . 6104 1 77 70 LYS . 6104 1 78 71 LEU . 6104 1 79 72 GLU . 6104 1 80 73 ARG . 6104 1 81 74 GLU . 6104 1 82 75 GLU . 6104 1 83 76 ASN . 6104 1 84 77 LEU . 6104 1 85 78 VAL . 6104 1 86 79 SER . 6104 1 87 80 ALA . 6104 1 88 81 PHE . 6104 1 89 82 SER . 6104 1 90 83 TYR . 6104 1 91 84 PHE . 6104 1 92 85 ASP . 6104 1 93 86 LYS . 6104 1 94 87 ASP . 6104 1 95 88 GLY . 6104 1 96 89 SER . 6104 1 97 90 GLY . 6104 1 98 91 TYR . 6104 1 99 92 ILE . 6104 1 100 93 THR . 6104 1 101 94 LEU . 6104 1 102 95 ASP . 6104 1 103 96 GLU . 6104 1 104 97 ILE . 6104 1 105 98 GLN . 6104 1 106 99 GLN . 6104 1 107 100 ALA . 6104 1 108 101 CYS . 6104 1 109 102 LYS . 6104 1 110 103 ASP . 6104 1 111 104 PHE . 6104 1 112 105 GLY . 6104 1 113 106 LEU . 6104 1 114 107 ASP . 6104 1 115 108 ASP . 6104 1 116 109 ILE . 6104 1 117 110 HIS . 6104 1 118 111 ILE . 6104 1 119 112 ASP . 6104 1 120 113 ASP . 6104 1 121 114 MET . 6104 1 122 115 ILE . 6104 1 123 116 LYS . 6104 1 124 117 GLU . 6104 1 125 118 ILE . 6104 1 126 119 ASP . 6104 1 127 120 GLN . 6104 1 128 121 ASP . 6104 1 129 122 ASN . 6104 1 130 123 ASP . 6104 1 131 124 GLY . 6104 1 132 125 GLN . 6104 1 133 126 ILE . 6104 1 134 127 ASP . 6104 1 135 128 TYR . 6104 1 136 129 GLY . 6104 1 137 130 GLU . 6104 1 138 131 PHE . 6104 1 139 132 ALA . 6104 1 140 133 ALA . 6104 1 141 134 MET . 6104 1 142 135 MET . 6104 1 143 136 ARG . 6104 1 144 137 LYS . 6104 1 145 138 ARG . 6104 1 146 139 LYS . 6104 1 147 140 GLY . 6104 1 148 141 ASN . 6104 1 149 142 GLY . 6104 1 150 143 GLY . 6104 1 151 144 ILE . 6104 1 152 145 GLY . 6104 1 153 146 ARG . 6104 1 154 147 ARG . 6104 1 155 148 THR . 6104 1 156 149 MET . 6104 1 157 150 ARG . 6104 1 158 151 LYS . 6104 1 159 152 THR . 6104 1 160 153 LEU . 6104 1 161 154 ASN . 6104 1 162 155 LEU . 6104 1 163 156 ARG . 6104 1 164 157 ASP . 6104 1 165 158 ALA . 6104 1 166 159 LEU . 6104 1 167 160 GLY . 6104 1 168 161 LEU . 6104 1 169 162 VAL . 6104 1 170 163 ASP . 6104 1 171 164 ASN . 6104 1 172 165 GLY . 6104 1 173 166 SER . 6104 1 174 167 ASN . 6104 1 175 168 GLN . 6104 1 176 169 VAL . 6104 1 177 170 ILE . 6104 1 178 171 GLU . 6104 1 179 172 GLY . 6104 1 180 173 TYR . 6104 1 181 174 PHE . 6104 1 182 175 LYS . 6104 1 183 176 HIS . 6104 1 184 177 HIS . 6104 1 185 178 HIS . 6104 1 186 179 HIS . 6104 1 187 180 HIS . 6104 1 188 181 HIS . 6104 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 . ALA 1 1 6104 1 . GLU 2 2 6104 1 . ARG 3 3 6104 1 . LEU 4 4 6104 1 . SER 5 5 6104 1 . GLU 6 6 6104 1 . GLU 7 7 6104 1 . GLU 8 8 6104 1 . ILE 9 9 6104 1 . GLY 10 10 6104 1 . GLY 11 11 6104 1 . LEU 12 12 6104 1 . LYS 13 13 6104 1 . GLU 14 14 6104 1 . LEU 15 15 6104 1 . PHE 16 16 6104 1 . LYS 17 17 6104 1 . MET 18 18 6104 1 . ILE 19 19 6104 1 . ASP 20 20 6104 1 . THR 21 21 6104 1 . ASP 22 22 6104 1 . ASN 23 23 6104 1 . SER 24 24 6104 1 . GLY 25 25 6104 1 . THR 26 26 6104 1 . ILE 27 27 6104 1 . THR 28 28 6104 1 . PHE 29 29 6104 1 . ASP 30 30 6104 1 . GLU 31 31 6104 1 . LEU 32 32 6104 1 . LYS 33 33 6104 1 . ASP 34 34 6104 1 . GLY 35 35 6104 1 . LEU 36 36 6104 1 . LYS 37 37 6104 1 . ARG 38 38 6104 1 . VAL 39 39 6104 1 . GLY 40 40 6104 1 . SER 41 41 6104 1 . GLU 42 42 6104 1 . LEU 43 43 6104 1 . MET 44 44 6104 1 . GLU 45 45 6104 1 . SER 46 46 6104 1 . GLU 47 47 6104 1 . ILE 48 48 6104 1 . LYS 49 49 6104 1 . ASP 50 50 6104 1 . LEU 51 51 6104 1 . MET 52 52 6104 1 . ASP 53 53 6104 1 . ALA 54 54 6104 1 . ALA 55 55 6104 1 . ASP 56 56 6104 1 . ILE 57 57 6104 1 . ASP 58 58 6104 1 . LYS 59 59 6104 1 . SER 60 60 6104 1 . GLY 61 61 6104 1 . THR 62 62 6104 1 . ILE 63 63 6104 1 . ASP 64 64 6104 1 . TYR 65 65 6104 1 . GLY 66 66 6104 1 . GLU 67 67 6104 1 . PHE 68 68 6104 1 . ILE 69 69 6104 1 . ALA 70 70 6104 1 . ALA 71 71 6104 1 . THR 72 72 6104 1 . VAL 73 73 6104 1 . HIS 74 74 6104 1 . LEU 75 75 6104 1 . ASN 76 76 6104 1 . LYS 77 77 6104 1 . LEU 78 78 6104 1 . GLU 79 79 6104 1 . ARG 80 80 6104 1 . GLU 81 81 6104 1 . GLU 82 82 6104 1 . ASN 83 83 6104 1 . LEU 84 84 6104 1 . VAL 85 85 6104 1 . SER 86 86 6104 1 . ALA 87 87 6104 1 . PHE 88 88 6104 1 . SER 89 89 6104 1 . TYR 90 90 6104 1 . PHE 91 91 6104 1 . ASP 92 92 6104 1 . LYS 93 93 6104 1 . ASP 94 94 6104 1 . GLY 95 95 6104 1 . SER 96 96 6104 1 . GLY 97 97 6104 1 . TYR 98 98 6104 1 . ILE 99 99 6104 1 . THR 100 100 6104 1 . LEU 101 101 6104 1 . ASP 102 102 6104 1 . GLU 103 103 6104 1 . ILE 104 104 6104 1 . GLN 105 105 6104 1 . GLN 106 106 6104 1 . ALA 107 107 6104 1 . CYS 108 108 6104 1 . LYS 109 109 6104 1 . ASP 110 110 6104 1 . PHE 111 111 6104 1 . GLY 112 112 6104 1 . LEU 113 113 6104 1 . ASP 114 114 6104 1 . ASP 115 115 6104 1 . ILE 116 116 6104 1 . HIS 117 117 6104 1 . ILE 118 118 6104 1 . ASP 119 119 6104 1 . ASP 120 120 6104 1 . MET 121 121 6104 1 . ILE 122 122 6104 1 . LYS 123 123 6104 1 . GLU 124 124 6104 1 . ILE 125 125 6104 1 . ASP 126 126 6104 1 . GLN 127 127 6104 1 . ASP 128 128 6104 1 . ASN 129 129 6104 1 . ASP 130 130 6104 1 . GLY 131 131 6104 1 . GLN 132 132 6104 1 . ILE 133 133 6104 1 . ASP 134 134 6104 1 . TYR 135 135 6104 1 . GLY 136 136 6104 1 . GLU 137 137 6104 1 . PHE 138 138 6104 1 . ALA 139 139 6104 1 . ALA 140 140 6104 1 . MET 141 141 6104 1 . MET 142 142 6104 1 . ARG 143 143 6104 1 . LYS 144 144 6104 1 . ARG 145 145 6104 1 . LYS 146 146 6104 1 . GLY 147 147 6104 1 . ASN 148 148 6104 1 . GLY 149 149 6104 1 . GLY 150 150 6104 1 . ILE 151 151 6104 1 . GLY 152 152 6104 1 . ARG 153 153 6104 1 . ARG 154 154 6104 1 . THR 155 155 6104 1 . MET 156 156 6104 1 . ARG 157 157 6104 1 . LYS 158 158 6104 1 . THR 159 159 6104 1 . LEU 160 160 6104 1 . ASN 161 161 6104 1 . LEU 162 162 6104 1 . ARG 163 163 6104 1 . ASP 164 164 6104 1 . ALA 165 165 6104 1 . LEU 166 166 6104 1 . GLY 167 167 6104 1 . LEU 168 168 6104 1 . VAL 169 169 6104 1 . ASP 170 170 6104 1 . ASN 171 171 6104 1 . GLY 172 172 6104 1 . SER 173 173 6104 1 . ASN 174 174 6104 1 . GLN 175 175 6104 1 . VAL 176 176 6104 1 . ILE 177 177 6104 1 . GLU 178 178 6104 1 . GLY 179 179 6104 1 . TYR 180 180 6104 1 . PHE 181 181 6104 1 . LYS 182 182 6104 1 . HIS 183 183 6104 1 . HIS 184 184 6104 1 . HIS 185 185 6104 1 . HIS 186 186 6104 1 . HIS 187 187 6104 1 . HIS 188 188 6104 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 6104 _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 . 6104 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 6104 _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 $SK5 . 3847 organism . 'Glycine max' soybean . . Eukaryota Viridiplantae Glycine max . . . . . . . . . . . . . . . . . . . . . 6104 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 6104 _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 $SK5 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . PT7-7 . . . . . . 6104 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 6104 _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 Jun 20 11:33:06 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 [Ca+2] SMILES ACDLabs 10.04 6104 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 6104 CA [Ca++] SMILES CACTVS 3.341 6104 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6104 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 6104 CA InChI=1S/Ca/q+2 InChI InChI 1.03 6104 CA BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 6104 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 6104 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6104 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 . 6104 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6104 _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 'Calcium-dependent protein kinase SK5' '[U-15N; U-13C]' . . 1 $SK5 . . 0.8 . . mM . . . . 6104 1 2 'unlabelled JD peptide' 'natural abundance' . . . . . . 0.9 . . mM . . . . 6104 1 3 H2-Imidazole 'natural abundance' . . . . . . 50 . . mM . . . . 6104 1 4 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 6104 1 5 CaCl2 'natural abundance' . . . . . . 10 . . mM . . . . 6104 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 6104 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 6104 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6104 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Calcium-dependent protein kinase SK5' '[U-15N; U-13C]' . . 1 $SK5 . . 0.5 . . mM . . . . 6104 2 2 'unlabelled JD peptide' 'natural abundance' . . . . . . 0.6 . . mM . . . . 6104 2 3 H2-Imidazole 'natural abundance' . . . . . . 50 . . mM . . . . 6104 2 4 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 6104 2 5 CaCl2 'natural abundance' . . . . . . 10 . . mM . . . . 6104 2 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 6104 2 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 6104 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6104 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Calcium-dependent protein kinase SK5' '[U-15N; U-13C]' . . 1 $SK5 . . 0.4 . . mM . . . . 6104 3 2 'unlabelled JD peptide' 'natural abundance' . . . . . . 0.5 . . mM . . . . 6104 3 3 H2-Imidazole 'natural abundance' . . . . . . 50 . . mM . . . . 6104 3 4 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 6104 3 5 CaCl2 'natural abundance' . . . . . . 10 . . mM . . . . 6104 3 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 6104 3 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 6104 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6104 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.3 . pH 6104 1 temperature 313 . K 6104 1 'ionic strength' 260 . mM 6104 1 pressure 1 . atm 6104 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 6104 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.3 . pH 6104 2 temperature 313 . K 6104 2 'ionic strength' 210 . mM 6104 2 pressure 1 . atm 6104 2 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6104 _Software.ID 1 _Software.Name XWINNMR _Software.Version 2.6 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6104 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6104 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details 'Delaglio and Bax' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6104 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6104 _Software.ID 3 _Software.Name NMRView _Software.Version 5.04 _Software.Details Johnson loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6104 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6104 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution, refinement' 6104 4 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 6104 _Software.ID 5 _Software.Name ARIA _Software.Version 1.2 _Software.Details Nilges loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'iterative matrix relaxation' 6104 5 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 6104 _Software.ID 6 _Software.Name VNMR _Software.Version unknown _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6104 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6104 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6104 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AVANCE . 500 . . . 6104 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6104 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6104 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6104 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6104 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 . . 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6104 1 N 15 DSS . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 6104 1 C 13 DSS . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 6104 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6104 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . 6104 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 8 8 GLU N N 15 120.669 . . 1 . . . A 1 . . . 6104 1 2 . 1 1 8 8 GLU H H 1 8.035 . . 1 . . . A 1 . . . 6104 1 3 . 1 1 8 8 GLU CA C 13 57.450 . . 1 . . . A 1 . . . 6104 1 4 . 1 1 8 8 GLU HA H 1 4.202 . . 1 . . . A 1 . . . 6104 1 5 . 1 1 8 8 GLU CB C 13 30.173 . . 1 . . . A 1 . . . 6104 1 6 . 1 1 8 8 GLU HB3 H 1 2.216 . . 2 . . . A 1 . . . 6104 1 7 . 1 1 8 8 GLU HB2 H 1 2.052 . . 2 . . . A 1 . . . 6104 1 8 . 1 1 8 8 GLU CG C 13 36.346 . . 1 . . . A 1 . . . 6104 1 9 . 1 1 8 8 GLU HG3 H 1 2.302 . . 2 . . . A 1 . . . 6104 1 10 . 1 1 8 8 GLU C C 13 178.485 . . 1 . . . A 1 . . . 6104 1 11 . 1 1 9 9 ILE N N 15 120.124 . . 1 . . . A 2 . . . 6104 1 12 . 1 1 9 9 ILE H H 1 8.165 . . 1 . . . A 2 . . . 6104 1 13 . 1 1 9 9 ILE CA C 13 63.453 . . 1 . . . A 2 . . . 6104 1 14 . 1 1 9 9 ILE HA H 1 3.984 . . 1 . . . A 2 . . . 6104 1 15 . 1 1 9 9 ILE CB C 13 38.290 . . 1 . . . A 2 . . . 6104 1 16 . 1 1 9 9 ILE HB H 1 1.967 . . 1 . . . A 2 . . . 6104 1 17 . 1 1 9 9 ILE CG1 C 13 28.500 . . 1 . . . A 2 . . . 6104 1 18 . 1 1 9 9 ILE HG13 H 1 1.606 . . 1 . . . A 2 . . . 6104 1 19 . 1 1 9 9 ILE HG12 H 1 1.186 . . 1 . . . A 2 . . . 6104 1 20 . 1 1 9 9 ILE CD1 C 13 13.586 . . 1 . . . A 2 . . . 6104 1 21 . 1 1 9 9 ILE HD11 H 1 0.852 . . 1 . . . A 2 . . . 6104 1 22 . 1 1 9 9 ILE HD12 H 1 0.852 . . 1 . . . A 2 . . . 6104 1 23 . 1 1 9 9 ILE HD13 H 1 0.852 . . 1 . . . A 2 . . . 6104 1 24 . 1 1 9 9 ILE CG2 C 13 17.778 . . 1 . . . A 2 . . . 6104 1 25 . 1 1 9 9 ILE HG21 H 1 0.981 . . 1 . . . A 2 . . . 6104 1 26 . 1 1 9 9 ILE HG22 H 1 0.981 . . 1 . . . A 2 . . . 6104 1 27 . 1 1 9 9 ILE HG23 H 1 0.981 . . 1 . . . A 2 . . . 6104 1 28 . 1 1 10 10 GLY N N 15 109.097 . . 1 . . . A 3 . . . 6104 1 29 . 1 1 10 10 GLY H H 1 8.299 . . 1 . . . A 3 . . . 6104 1 30 . 1 1 10 10 GLY CA C 13 47.078 . . 1 . . . A 3 . . . 6104 1 31 . 1 1 10 10 GLY HA3 H 1 4.032 . . 2 . . . A 3 . . . 6104 1 32 . 1 1 10 10 GLY HA2 H 1 3.947 . . 2 . . . A 3 . . . 6104 1 33 . 1 1 11 11 GLY N N 15 109.115 . . 1 . . . A 4 . . . 6104 1 34 . 1 1 11 11 GLY H H 1 8.191 . . 1 . . . A 4 . . . 6104 1 35 . 1 1 11 11 GLY CA C 13 45.444 . . 1 . . . A 4 . . . 6104 1 36 . 1 1 11 11 GLY HA3 H 1 4.084 . . 1 . . . A 4 . . . 6104 1 37 . 1 1 11 11 GLY HA2 H 1 4.084 . . 1 . . . A 4 . . . 6104 1 38 . 1 1 12 12 LEU N N 15 122.287 . . 1 . . . A 5 . . . 6104 1 39 . 1 1 12 12 LEU H H 1 8.172 . . 1 . . . A 5 . . . 6104 1 40 . 1 1 12 12 LEU CA C 13 57.882 . . 1 . . . A 5 . . . 6104 1 41 . 1 1 12 12 LEU HA H 1 4.367 . . 1 . . . A 5 . . . 6104 1 42 . 1 1 12 12 LEU CB C 13 42.300 . . 1 . . . A 5 . . . 6104 1 43 . 1 1 12 12 LEU HB3 H 1 1.660 . . 2 . . . A 5 . . . 6104 1 44 . 1 1 12 12 LEU HB2 H 1 2.107 . . 2 . . . A 5 . . . 6104 1 45 . 1 1 12 12 LEU CG C 13 25.700 . . 1 . . . A 5 . . . 6104 1 46 . 1 1 12 12 LEU HG H 1 1.657 . . 1 . . . A 5 . . . 6104 1 47 . 1 1 12 12 LEU CD1 C 13 26.170 . . 1 . . . A 5 . . . 6104 1 48 . 1 1 12 12 LEU HD11 H 1 0.934 . . 2 . . . A 5 . . . 6104 1 49 . 1 1 12 12 LEU HD12 H 1 0.934 . . 2 . . . A 5 . . . 6104 1 50 . 1 1 12 12 LEU HD13 H 1 0.934 . . 2 . . . A 5 . . . 6104 1 51 . 1 1 12 12 LEU HD21 H 1 1.030 . . 2 . . . A 5 . . . 6104 1 52 . 1 1 12 12 LEU HD22 H 1 1.030 . . 2 . . . A 5 . . . 6104 1 53 . 1 1 12 12 LEU HD23 H 1 1.030 . . 2 . . . A 5 . . . 6104 1 54 . 1 1 12 12 LEU C C 13 176.835 . . 1 . . . A 5 . . . 6104 1 55 . 1 1 13 13 LYS N N 15 120.237 . . 1 . . . A 6 . . . 6104 1 56 . 1 1 13 13 LYS H H 1 8.375 . . 1 . . . A 6 . . . 6104 1 57 . 1 1 13 13 LYS CA C 13 59.712 . . 1 . . . A 6 . . . 6104 1 58 . 1 1 13 13 LYS HA H 1 4.128 . . 1 . . . A 6 . . . 6104 1 59 . 1 1 13 13 LYS CB C 13 32.000 . . 1 . . . A 6 . . . 6104 1 60 . 1 1 13 13 LYS HB3 H 1 1.932 . . 2 . . . A 6 . . . 6104 1 61 . 1 1 13 13 LYS CG C 13 25.498 . . 1 . . . A 6 . . . 6104 1 62 . 1 1 13 13 LYS HG3 H 1 1.384 . . 2 . . . A 6 . . . 6104 1 63 . 1 1 13 13 LYS HD2 H 1 1.565 . . 2 . . . A 6 . . . 6104 1 64 . 1 1 13 13 LYS C C 13 178.422 . . 1 . . . A 6 . . . 6104 1 65 . 1 1 14 14 GLU N N 15 118.079 . . 1 . . . A 7 . . . 6104 1 66 . 1 1 14 14 GLU H H 1 7.889 . . 1 . . . A 7 . . . 6104 1 67 . 1 1 14 14 GLU CA C 13 59.032 . . 1 . . . A 7 . . . 6104 1 68 . 1 1 14 14 GLU HA H 1 4.080 . . 1 . . . A 7 . . . 6104 1 69 . 1 1 14 14 GLU CB C 13 29.216 . . 1 . . . A 7 . . . 6104 1 70 . 1 1 14 14 GLU HB3 H 1 2.136 . . 2 . . . A 7 . . . 6104 1 71 . 1 1 14 14 GLU CG C 13 36.660 . . 1 . . . A 7 . . . 6104 1 72 . 1 1 14 14 GLU HG3 H 1 2.387 . . 2 . . . A 7 . . . 6104 1 73 . 1 1 14 14 GLU C C 13 179.179 . . 1 . . . A 7 . . . 6104 1 74 . 1 1 15 15 LEU N N 15 121.532 . . 1 . . . A 8 . . . 6104 1 75 . 1 1 15 15 LEU H H 1 7.939 . . 1 . . . A 8 . . . 6104 1 76 . 1 1 15 15 LEU CA C 13 57.870 . . 1 . . . A 8 . . . 6104 1 77 . 1 1 15 15 LEU HA H 1 4.220 . . 1 . . . A 8 . . . 6104 1 78 . 1 1 15 15 LEU CB C 13 42.030 . . 1 . . . A 8 . . . 6104 1 79 . 1 1 15 15 LEU HB3 H 1 2.114 . . 2 . . . A 8 . . . 6104 1 80 . 1 1 15 15 LEU HB2 H 1 1.861 . . 2 . . . A 8 . . . 6104 1 81 . 1 1 15 15 LEU CG C 13 27.568 . . 1 . . . A 8 . . . 6104 1 82 . 1 1 15 15 LEU HG H 1 1.777 . . 1 . . . A 8 . . . 6104 1 83 . 1 1 15 15 LEU CD1 C 13 23.838 . . 1 . . . A 8 . . . 6104 1 84 . 1 1 15 15 LEU HD11 H 1 1.024 . . 2 . . . A 8 . . . 6104 1 85 . 1 1 15 15 LEU HD12 H 1 1.024 . . 2 . . . A 8 . . . 6104 1 86 . 1 1 15 15 LEU HD13 H 1 1.024 . . 2 . . . A 8 . . . 6104 1 87 . 1 1 15 15 LEU CD2 C 13 25.706 . . 1 . . . A 8 . . . 6104 1 88 . 1 1 15 15 LEU HD21 H 1 1.040 . . 2 . . . A 8 . . . 6104 1 89 . 1 1 15 15 LEU HD22 H 1 1.040 . . 2 . . . A 8 . . . 6104 1 90 . 1 1 15 15 LEU HD23 H 1 1.040 . . 2 . . . A 8 . . . 6104 1 91 . 1 1 15 15 LEU C C 13 177.815 . . 1 . . . A 8 . . . 6104 1 92 . 1 1 16 16 PHE N N 15 118.942 . . 1 . . . A 9 . . . 6104 1 93 . 1 1 16 16 PHE H H 1 8.421 . . 1 . . . A 9 . . . 6104 1 94 . 1 1 16 16 PHE CA C 13 62.056 . . 1 . . . A 9 . . . 6104 1 95 . 1 1 16 16 PHE HA H 1 3.110 . . 1 . . . A 9 . . . 6104 1 96 . 1 1 16 16 PHE CB C 13 39.220 . . 1 . . . A 9 . . . 6104 1 97 . 1 1 16 16 PHE HB3 H 1 2.769 . . 2 . . . A 9 . . . 6104 1 98 . 1 1 16 16 PHE HB2 H 1 3.220 . . 2 . . . A 9 . . . 6104 1 99 . 1 1 16 16 PHE HD1 H 1 6.520 . . 3 . . . A 9 . . . 6104 1 100 . 1 1 16 16 PHE HE1 H 1 7.000 . . 3 . . . A 9 . . . 6104 1 101 . 1 1 16 16 PHE HZ H 1 6.785 . . 1 . . . A 9 . . . 6104 1 102 . 1 1 16 16 PHE HE2 H 1 7.097 . . 3 . . . A 9 . . . 6104 1 103 . 1 1 16 16 PHE C C 13 176.961 . . 1 . . . A 9 . . . 6104 1 104 . 1 1 17 17 LYS N N 15 115.705 . . 1 . . . A 10 . . . 6104 1 105 . 1 1 17 17 LYS H H 1 7.856 . . 1 . . . A 10 . . . 6104 1 106 . 1 1 17 17 LYS CA C 13 58.830 . . 1 . . . A 10 . . . 6104 1 107 . 1 1 17 17 LYS HA H 1 3.963 . . 1 . . . A 10 . . . 6104 1 108 . 1 1 17 17 LYS CB C 13 32.481 . . 1 . . . A 10 . . . 6104 1 109 . 1 1 17 17 LYS HB3 H 1 1.915 . . 2 . . . A 10 . . . 6104 1 110 . 1 1 17 17 LYS CG C 13 25.468 . . 1 . . . A 10 . . . 6104 1 111 . 1 1 17 17 LYS HG3 H 1 1.575 . . 2 . . . A 10 . . . 6104 1 112 . 1 1 17 17 LYS HG2 H 1 1.747 . . 2 . . . A 10 . . . 6104 1 113 . 1 1 17 17 LYS CD C 13 29.203 . . 1 . . . A 10 . . . 6104 1 114 . 1 1 17 17 LYS HD2 H 1 1.750 . . 2 . . . A 10 . . . 6104 1 115 . 1 1 17 17 LYS CE C 13 42.097 . . 1 . . . A 10 . . . 6104 1 116 . 1 1 17 17 LYS HE2 H 1 2.973 . . 2 . . . A 10 . . . 6104 1 117 . 1 1 17 17 LYS C C 13 178.268 . . 1 . . . A 10 . . . 6104 1 118 . 1 1 18 18 MET N N 15 116.568 . . 1 . . . A 11 . . . 6104 1 119 . 1 1 18 18 MET H H 1 7.727 . . 1 . . . A 11 . . . 6104 1 120 . 1 1 18 18 MET CA C 13 57.919 . . 1 . . . A 11 . . . 6104 1 121 . 1 1 18 18 MET HA H 1 3.966 . . 1 . . . A 11 . . . 6104 1 122 . 1 1 18 18 MET CB C 13 33.024 . . 1 . . . A 11 . . . 6104 1 123 . 1 1 18 18 MET HB3 H 1 2.268 . . 2 . . . A 11 . . . 6104 1 124 . 1 1 18 18 MET HB2 H 1 2.149 . . 2 . . . A 11 . . . 6104 1 125 . 1 1 18 18 MET CG C 13 31.811 . . 1 . . . A 11 . . . 6104 1 126 . 1 1 18 18 MET HG3 H 1 2.520 . . 2 . . . A 11 . . . 6104 1 127 . 1 1 18 18 MET HG2 H 1 2.705 . . 2 . . . A 11 . . . 6104 1 128 . 1 1 18 18 MET CE C 13 17.548 . . 1 . . . A 11 . . . 6104 1 129 . 1 1 18 18 MET HE1 H 1 2.034 . . 1 . . . A 11 . . . 6104 1 130 . 1 1 18 18 MET HE2 H 1 2.034 . . 1 . . . A 11 . . . 6104 1 131 . 1 1 18 18 MET HE3 H 1 2.034 . . 1 . . . A 11 . . . 6104 1 132 . 1 1 18 18 MET C C 13 177.511 . . 1 . . . A 11 . . . 6104 1 133 . 1 1 19 19 ILE N N 15 117.432 . . 1 . . . A 12 . . . 6104 1 134 . 1 1 19 19 ILE H H 1 7.494 . . 1 . . . A 12 . . . 6104 1 135 . 1 1 19 19 ILE CA C 13 63.002 . . 1 . . . A 12 . . . 6104 1 136 . 1 1 19 19 ILE HA H 1 3.766 . . 1 . . . A 12 . . . 6104 1 137 . 1 1 19 19 ILE CB C 13 38.289 . . 1 . . . A 12 . . . 6104 1 138 . 1 1 19 19 ILE HB H 1 1.477 . . 1 . . . A 12 . . . 6104 1 139 . 1 1 19 19 ILE CG1 C 13 28.686 . . 1 . . . A 12 . . . 6104 1 140 . 1 1 19 19 ILE HG13 H 1 1.892 . . 2 . . . A 12 . . . 6104 1 141 . 1 1 19 19 ILE HG12 H 1 0.731 . . 1 . . . A 12 . . . 6104 1 142 . 1 1 19 19 ILE CD1 C 13 13.348 . . 1 . . . A 12 . . . 6104 1 143 . 1 1 19 19 ILE HD11 H 1 0.722 . . 1 . . . A 12 . . . 6104 1 144 . 1 1 19 19 ILE HD12 H 1 0.722 . . 1 . . . A 12 . . . 6104 1 145 . 1 1 19 19 ILE HD13 H 1 0.722 . . 1 . . . A 12 . . . 6104 1 146 . 1 1 19 19 ILE CG2 C 13 19.410 . . 1 . . . A 12 . . . 6104 1 147 . 1 1 19 19 ILE HG21 H 1 0.790 . . 1 . . . A 12 . . . 6104 1 148 . 1 1 19 19 ILE HG22 H 1 0.790 . . 1 . . . A 12 . . . 6104 1 149 . 1 1 19 19 ILE HG23 H 1 0.790 . . 1 . . . A 12 . . . 6104 1 150 . 1 1 19 19 ILE C C 13 177.052 . . 1 . . . A 12 . . . 6104 1 151 . 1 1 20 20 ASP N N 15 120.453 . . 1 . . . A 13 . . . 6104 1 152 . 1 1 20 20 ASP H H 1 7.865 . . 1 . . . A 13 . . . 6104 1 153 . 1 1 20 20 ASP CA C 13 52.758 . . 1 . . . A 13 . . . 6104 1 154 . 1 1 20 20 ASP HA H 1 4.477 . . 1 . . . A 13 . . . 6104 1 155 . 1 1 20 20 ASP CB C 13 38.916 . . 1 . . . A 13 . . . 6104 1 156 . 1 1 20 20 ASP HB3 H 1 2.533 . . 2 . . . A 13 . . . 6104 1 157 . 1 1 20 20 ASP HB2 H 1 1.487 . . 2 . . . A 13 . . . 6104 1 158 . 1 1 20 20 ASP C C 13 178.089 . . 1 . . . A 13 . . . 6104 1 159 . 1 1 21 21 THR N N 15 116.590 . . 1 . . . A 14 . . . 6104 1 160 . 1 1 21 21 THR H H 1 8.070 . . 1 . . . A 14 . . . 6104 1 161 . 1 1 21 21 THR CA C 13 64.541 . . 1 . . . A 14 . . . 6104 1 162 . 1 1 21 21 THR HA H 1 3.985 . . 1 . . . A 14 . . . 6104 1 163 . 1 1 21 21 THR CB C 13 68.702 . . 1 . . . A 14 . . . 6104 1 164 . 1 1 21 21 THR HB H 1 4.307 . . 1 . . . A 14 . . . 6104 1 165 . 1 1 21 21 THR CG2 C 13 23.376 . . 1 . . . A 14 . . . 6104 1 166 . 1 1 21 21 THR HG21 H 1 1.284 . . 1 . . . A 14 . . . 6104 1 167 . 1 1 21 21 THR HG22 H 1 1.284 . . 1 . . . A 14 . . . 6104 1 168 . 1 1 21 21 THR HG23 H 1 1.284 . . 1 . . . A 14 . . . 6104 1 169 . 1 1 21 21 THR C C 13 176.004 . . 1 . . . A 14 . . . 6104 1 170 . 1 1 22 22 ASP N N 15 117.432 . . 1 . . . A 15 . . . 6104 1 171 . 1 1 22 22 ASP H H 1 7.764 . . 1 . . . A 15 . . . 6104 1 172 . 1 1 22 22 ASP CA C 13 52.628 . . 1 . . . A 15 . . . 6104 1 173 . 1 1 22 22 ASP HA H 1 4.704 . . 1 . . . A 15 . . . 6104 1 174 . 1 1 22 22 ASP CB C 13 39.378 . . 1 . . . A 15 . . . 6104 1 175 . 1 1 22 22 ASP HB3 H 1 3.086 . . 2 . . . A 15 . . . 6104 1 176 . 1 1 22 22 ASP HB2 H 1 2.676 . . 2 . . . A 15 . . . 6104 1 177 . 1 1 22 22 ASP C C 13 176.991 . . 1 . . . A 15 . . . 6104 1 178 . 1 1 23 23 ASN N N 15 115.692 . . 1 . . . A 16 . . . 6104 1 179 . 1 1 23 23 ASN H H 1 8.155 . . 1 . . . A 16 . . . 6104 1 180 . 1 1 23 23 ASN CA C 13 54.553 . . 1 . . . A 16 . . . 6104 1 181 . 1 1 23 23 ASN HA H 1 4.348 . . 1 . . . A 16 . . . 6104 1 182 . 1 1 23 23 ASN CB C 13 37.662 . . 1 . . . A 16 . . . 6104 1 183 . 1 1 23 23 ASN HB3 H 1 3.080 . . 2 . . . A 16 . . . 6104 1 184 . 1 1 23 23 ASN HB2 H 1 2.728 . . 2 . . . A 16 . . . 6104 1 185 . 1 1 23 23 ASN ND2 N 15 112.220 . . 1 . . . A 16 . . . 6104 1 186 . 1 1 23 23 ASN HD21 H 1 6.692 . . 2 . . . A 16 . . . 6104 1 187 . 1 1 23 23 ASN HD22 H 1 7.436 . . 2 . . . A 16 . . . 6104 1 188 . 1 1 23 23 ASN C C 13 175.105 . . 1 . . . A 16 . . . 6104 1 189 . 1 1 24 24 SER N N 15 114.626 . . 1 . . . A 17 . . . 6104 1 190 . 1 1 24 24 SER H H 1 8.626 . . 1 . . . A 17 . . . 6104 1 191 . 1 1 24 24 SER CA C 13 59.947 . . 1 . . . A 17 . . . 6104 1 192 . 1 1 24 24 SER HA H 1 4.293 . . 1 . . . A 17 . . . 6104 1 193 . 1 1 24 24 SER CB C 13 64.944 . . 1 . . . A 17 . . . 6104 1 194 . 1 1 24 24 SER HB3 H 1 3.954 . . 2 . . . A 17 . . . 6104 1 195 . 1 1 24 24 SER HB2 H 1 4.239 . . 2 . . . A 17 . . . 6104 1 196 . 1 1 24 24 SER C C 13 176.758 . . 1 . . . A 17 . . . 6104 1 197 . 1 1 25 25 GLY N N 15 116.831 . . 1 . . . A 18 . . . 6104 1 198 . 1 1 25 25 GLY H H 1 11.038 . . 1 . . . A 18 . . . 6104 1 199 . 1 1 25 25 GLY CA C 13 45.572 . . 1 . . . A 18 . . . 6104 1 200 . 1 1 25 25 GLY HA3 H 1 4.427 . . 2 . . . A 18 . . . 6104 1 201 . 1 1 25 25 GLY HA2 H 1 3.701 . . 2 . . . A 18 . . . 6104 1 202 . 1 1 25 25 GLY C C 13 173.162 . . 1 . . . A 18 . . . 6104 1 203 . 1 1 26 26 THR N N 15 107.646 . . 1 . . . A 19 . . . 6104 1 204 . 1 1 26 26 THR H H 1 7.747 . . 1 . . . A 19 . . . 6104 1 205 . 1 1 26 26 THR CA C 13 58.126 . . 1 . . . A 19 . . . 6104 1 206 . 1 1 26 26 THR HA H 1 4.958 . . 1 . . . A 19 . . . 6104 1 207 . 1 1 26 26 THR CB C 13 72.918 . . 1 . . . A 19 . . . 6104 1 208 . 1 1 26 26 THR HB H 1 3.837 . . 1 . . . A 19 . . . 6104 1 209 . 1 1 26 26 THR CG2 C 13 23.608 . . 1 . . . A 19 . . . 6104 1 210 . 1 1 26 26 THR HG21 H 1 1.179 . . 1 . . . A 19 . . . 6104 1 211 . 1 1 26 26 THR HG22 H 1 1.179 . . 1 . . . A 19 . . . 6104 1 212 . 1 1 26 26 THR HG23 H 1 1.179 . . 1 . . . A 19 . . . 6104 1 213 . 1 1 26 26 THR C C 13 172.954 . . 1 . . . A 19 . . . 6104 1 214 . 1 1 27 27 ILE N N 15 128.130 . . 1 . . . A 20 . . . 6104 1 215 . 1 1 27 27 ILE H H 1 9.721 . . 1 . . . A 20 . . . 6104 1 216 . 1 1 27 27 ILE CA C 13 59.788 . . 1 . . . A 20 . . . 6104 1 217 . 1 1 27 27 ILE HA H 1 4.998 . . 1 . . . A 20 . . . 6104 1 218 . 1 1 27 27 ILE CB C 13 40.400 . . 1 . . . A 20 . . . 6104 1 219 . 1 1 27 27 ILE HB H 1 1.762 . . 1 . . . A 20 . . . 6104 1 220 . 1 1 27 27 ILE CG1 C 13 27.648 . . 1 . . . A 20 . . . 6104 1 221 . 1 1 27 27 ILE HG13 H 1 0.359 . . 1 . . . A 20 . . . 6104 1 222 . 1 1 27 27 ILE HG12 H 1 0.949 . . 2 . . . A 20 . . . 6104 1 223 . 1 1 27 27 ILE CD1 C 13 14.748 . . 1 . . . A 20 . . . 6104 1 224 . 1 1 27 27 ILE HD11 H 1 0.110 . . 1 . . . A 20 . . . 6104 1 225 . 1 1 27 27 ILE HD12 H 1 0.110 . . 1 . . . A 20 . . . 6104 1 226 . 1 1 27 27 ILE HD13 H 1 0.110 . . 1 . . . A 20 . . . 6104 1 227 . 1 1 27 27 ILE CG2 C 13 18.948 . . 1 . . . A 20 . . . 6104 1 228 . 1 1 27 27 ILE HG21 H 1 0.855 . . 1 . . . A 20 . . . 6104 1 229 . 1 1 27 27 ILE HG22 H 1 0.855 . . 1 . . . A 20 . . . 6104 1 230 . 1 1 27 27 ILE HG23 H 1 0.855 . . 1 . . . A 20 . . . 6104 1 231 . 1 1 27 27 ILE C C 13 176.627 . . 1 . . . A 20 . . . 6104 1 232 . 1 1 28 28 THR N N 15 118.942 . . 1 . . . A 21 . . . 6104 1 233 . 1 1 28 28 THR H H 1 8.736 . . 1 . . . A 21 . . . 6104 1 234 . 1 1 28 28 THR CA C 13 60.140 . . 1 . . . A 21 . . . 6104 1 235 . 1 1 28 28 THR HA H 1 4.856 . . 1 . . . A 21 . . . 6104 1 236 . 1 1 28 28 THR CB C 13 71.237 . . 1 . . . A 21 . . . 6104 1 237 . 1 1 28 28 THR HB H 1 4.676 . . 1 . . . A 21 . . . 6104 1 238 . 1 1 28 28 THR CG2 C 13 22.676 . . 1 . . . A 21 . . . 6104 1 239 . 1 1 28 28 THR HG21 H 1 1.282 . . 1 . . . A 21 . . . 6104 1 240 . 1 1 28 28 THR HG22 H 1 1.282 . . 1 . . . A 21 . . . 6104 1 241 . 1 1 28 28 THR HG23 H 1 1.282 . . 1 . . . A 21 . . . 6104 1 242 . 1 1 28 28 THR C C 13 174.904 . . 1 . . . A 21 . . . 6104 1 243 . 1 1 29 29 PHE N N 15 121.748 . . 1 . . . A 22 . . . 6104 1 244 . 1 1 29 29 PHE H H 1 9.410 . . 1 . . . A 22 . . . 6104 1 245 . 1 1 29 29 PHE CA C 13 61.711 . . 1 . . . A 22 . . . 6104 1 246 . 1 1 29 29 PHE HA H 1 4.389 . . 1 . . . A 22 . . . 6104 1 247 . 1 1 29 29 PHE CB C 13 38.948 . . 1 . . . A 22 . . . 6104 1 248 . 1 1 29 29 PHE HB3 H 1 3.375 . . 2 . . . A 22 . . . 6104 1 249 . 1 1 29 29 PHE HB2 H 1 3.059 . . 2 . . . A 22 . . . 6104 1 250 . 1 1 29 29 PHE HD1 H 1 7.314 . . 3 . . . A 22 . . . 6104 1 251 . 1 1 29 29 PHE HE1 H 1 7.255 . . 3 . . . A 22 . . . 6104 1 252 . 1 1 29 29 PHE HZ H 1 7.234 . . 1 . . . A 22 . . . 6104 1 253 . 1 1 29 29 PHE HE2 H 1 7.385 . . 3 . . . A 22 . . . 6104 1 254 . 1 1 29 29 PHE C C 13 176.797 . . 1 . . . A 22 . . . 6104 1 255 . 1 1 30 30 ASP N N 15 116.101 . . 1 . . . A 23 . . . 6104 1 256 . 1 1 30 30 ASP H H 1 8.381 . . 1 . . . A 23 . . . 6104 1 257 . 1 1 30 30 ASP CA C 13 57.870 . . 1 . . . A 23 . . . 6104 1 258 . 1 1 30 30 ASP HA H 1 4.094 . . 1 . . . A 23 . . . 6104 1 259 . 1 1 30 30 ASP CB C 13 40.519 . . 1 . . . A 23 . . . 6104 1 260 . 1 1 30 30 ASP HB3 H 1 2.647 . . 2 . . . A 23 . . . 6104 1 261 . 1 1 30 30 ASP HB2 H 1 2.497 . . 2 . . . A 23 . . . 6104 1 262 . 1 1 30 30 ASP C C 13 178.832 . . 1 . . . A 23 . . . 6104 1 263 . 1 1 31 31 GLU N N 15 117.863 . . 1 . . . A 24 . . . 6104 1 264 . 1 1 31 31 GLU H H 1 7.517 . . 1 . . . A 24 . . . 6104 1 265 . 1 1 31 31 GLU CA C 13 58.560 . . 1 . . . A 24 . . . 6104 1 266 . 1 1 31 31 GLU HA H 1 4.083 . . 1 . . . A 24 . . . 6104 1 267 . 1 1 31 31 GLU CB C 13 29.836 . . 1 . . . A 24 . . . 6104 1 268 . 1 1 31 31 GLU HB3 H 1 2.353 . . 2 . . . A 24 . . . 6104 1 269 . 1 1 31 31 GLU HB2 H 1 2.142 . . 2 . . . A 24 . . . 6104 1 270 . 1 1 31 31 GLU CG C 13 36.890 . . 1 . . . A 24 . . . 6104 1 271 . 1 1 31 31 GLU HG3 H 1 2.386 . . 2 . . . A 24 . . . 6104 1 272 . 1 1 31 31 GLU HG2 H 1 2.476 . . 2 . . . A 24 . . . 6104 1 273 . 1 1 31 31 GLU C C 13 180.417 . . 1 . . . A 24 . . . 6104 1 274 . 1 1 32 32 LEU N N 15 123.274 . . 1 . . . A 25 . . . 6104 1 275 . 1 1 32 32 LEU H H 1 8.618 . . 1 . . . A 25 . . . 6104 1 276 . 1 1 32 32 LEU CA C 13 58.038 . . 1 . . . A 25 . . . 6104 1 277 . 1 1 32 32 LEU HA H 1 3.861 . . 1 . . . A 25 . . . 6104 1 278 . 1 1 32 32 LEU CB C 13 41.819 . . 1 . . . A 25 . . . 6104 1 279 . 1 1 32 32 LEU HB3 H 1 1.936 . . 2 . . . A 25 . . . 6104 1 280 . 1 1 32 32 LEU HB2 H 1 1.415 . . 2 . . . A 25 . . . 6104 1 281 . 1 1 32 32 LEU CG C 13 26.868 . . 1 . . . A 25 . . . 6104 1 282 . 1 1 32 32 LEU HG H 1 1.504 . . 1 . . . A 25 . . . 6104 1 283 . 1 1 32 32 LEU CD1 C 13 22.908 . . 1 . . . A 25 . . . 6104 1 284 . 1 1 32 32 LEU HD11 H 1 0.887 . . 2 . . . A 25 . . . 6104 1 285 . 1 1 32 32 LEU HD12 H 1 0.887 . . 2 . . . A 25 . . . 6104 1 286 . 1 1 32 32 LEU HD13 H 1 0.887 . . 2 . . . A 25 . . . 6104 1 287 . 1 1 32 32 LEU CD2 C 13 26.868 . . 1 . . . A 25 . . . 6104 1 288 . 1 1 32 32 LEU HD21 H 1 0.901 . . 2 . . . A 25 . . . 6104 1 289 . 1 1 32 32 LEU HD22 H 1 0.901 . . 2 . . . A 25 . . . 6104 1 290 . 1 1 32 32 LEU HD23 H 1 0.901 . . 2 . . . A 25 . . . 6104 1 291 . 1 1 32 32 LEU C C 13 177.730 . . 1 . . . A 25 . . . 6104 1 292 . 1 1 33 33 LYS N N 15 117.720 . . 1 . . . A 26 . . . 6104 1 293 . 1 1 33 33 LYS H H 1 8.392 . . 1 . . . A 26 . . . 6104 1 294 . 1 1 33 33 LYS CA C 13 59.962 . . 1 . . . A 26 . . . 6104 1 295 . 1 1 33 33 LYS HA H 1 3.780 . . 1 . . . A 26 . . . 6104 1 296 . 1 1 33 33 LYS CB C 13 31.990 . . 1 . . . A 26 . . . 6104 1 297 . 1 1 33 33 LYS HB3 H 1 1.553 . . 2 . . . A 26 . . . 6104 1 298 . 1 1 33 33 LYS HB2 H 1 1.397 . . 2 . . . A 26 . . . 6104 1 299 . 1 1 33 33 LYS CG C 13 24.768 . . 1 . . . A 26 . . . 6104 1 300 . 1 1 33 33 LYS HG3 H 1 1.220 . . 2 . . . A 26 . . . 6104 1 301 . 1 1 33 33 LYS CD C 13 29.662 . . 1 . . . A 26 . . . 6104 1 302 . 1 1 33 33 LYS HD3 H 1 1.549 . . 2 . . . A 26 . . . 6104 1 303 . 1 1 33 33 LYS HD2 H 1 1.478 . . 2 . . . A 26 . . . 6104 1 304 . 1 1 33 33 LYS CE C 13 41.550 . . 1 . . . A 26 . . . 6104 1 305 . 1 1 33 33 LYS HE3 H 1 2.827 . . 2 . . . A 26 . . . 6104 1 306 . 1 1 33 33 LYS HE2 H 1 2.647 . . 2 . . . A 26 . . . 6104 1 307 . 1 1 33 33 LYS C C 13 178.875 . . 1 . . . A 26 . . . 6104 1 308 . 1 1 34 34 ASP N N 15 118.726 . . 1 . . . A 27 . . . 6104 1 309 . 1 1 34 34 ASP H H 1 7.856 . . 1 . . . A 27 . . . 6104 1 310 . 1 1 34 34 ASP CA C 13 57.164 . . 1 . . . A 27 . . . 6104 1 311 . 1 1 34 34 ASP HA H 1 4.423 . . 1 . . . A 27 . . . 6104 1 312 . 1 1 34 34 ASP CB C 13 41.100 . . 1 . . . A 27 . . . 6104 1 313 . 1 1 34 34 ASP HB3 H 1 2.667 . . 2 . . . A 27 . . . 6104 1 314 . 1 1 34 34 ASP HB2 H 1 2.571 . . 2 . . . A 27 . . . 6104 1 315 . 1 1 34 34 ASP C C 13 179.167 . . 1 . . . A 27 . . . 6104 1 316 . 1 1 35 35 GLY N N 15 108.333 . . 1 . . . A 28 . . . 6104 1 317 . 1 1 35 35 GLY H H 1 8.714 . . 1 . . . A 28 . . . 6104 1 318 . 1 1 35 35 GLY CA C 13 47.371 . . 1 . . . A 28 . . . 6104 1 319 . 1 1 35 35 GLY HA3 H 1 3.889 . . 2 . . . A 28 . . . 6104 1 320 . 1 1 35 35 GLY HA2 H 1 3.645 . . 2 . . . A 28 . . . 6104 1 321 . 1 1 35 35 GLY C C 13 175.105 . . 1 . . . A 28 . . . 6104 1 322 . 1 1 36 36 LEU N N 15 120.091 . . 1 . . . A 29 . . . 6104 1 323 . 1 1 36 36 LEU H H 1 8.398 . . 1 . . . A 29 . . . 6104 1 324 . 1 1 36 36 LEU CA C 13 57.520 . . 1 . . . A 29 . . . 6104 1 325 . 1 1 36 36 LEU HA H 1 4.198 . . 1 . . . A 29 . . . 6104 1 326 . 1 1 36 36 LEU CB C 13 39.922 . . 1 . . . A 29 . . . 6104 1 327 . 1 1 36 36 LEU HB3 H 1 1.855 . . 2 . . . A 29 . . . 6104 1 328 . 1 1 36 36 LEU HB2 H 1 1.475 . . 2 . . . A 29 . . . 6104 1 329 . 1 1 36 36 LEU CG C 13 27.570 . . 1 . . . A 29 . . . 6104 1 330 . 1 1 36 36 LEU HG H 1 1.867 . . 1 . . . A 29 . . . 6104 1 331 . 1 1 36 36 LEU CD1 C 13 26.410 . . 2 . . . A 29 . . . 6104 1 332 . 1 1 36 36 LEU HD11 H 1 0.781 . . 2 . . . A 29 . . . 6104 1 333 . 1 1 36 36 LEU HD12 H 1 0.781 . . 2 . . . A 29 . . . 6104 1 334 . 1 1 36 36 LEU HD13 H 1 0.781 . . 2 . . . A 29 . . . 6104 1 335 . 1 1 36 36 LEU CD2 C 13 22.210 . . 2 . . . A 29 . . . 6104 1 336 . 1 1 36 36 LEU HD21 H 1 0.794 . . 2 . . . A 29 . . . 6104 1 337 . 1 1 36 36 LEU HD22 H 1 0.794 . . 2 . . . A 29 . . . 6104 1 338 . 1 1 36 36 LEU HD23 H 1 0.794 . . 2 . . . A 29 . . . 6104 1 339 . 1 1 37 37 LYS N N 15 119.041 . . 1 . . . A 30 . . . 6104 1 340 . 1 1 37 37 LYS H H 1 7.497 . . 1 . . . A 30 . . . 6104 1 341 . 1 1 37 37 LYS CA C 13 59.516 . . 1 . . . A 30 . . . 6104 1 342 . 1 1 37 37 LYS HA H 1 4.154 . . 1 . . . A 30 . . . 6104 1 343 . 1 1 37 37 LYS CB C 13 31.822 . . 1 . . . A 30 . . . 6104 1 344 . 1 1 37 37 LYS HB3 H 1 2.022 . . 2 . . . A 30 . . . 6104 1 345 . 1 1 37 37 LYS HB2 H 1 2.000 . . 2 . . . A 30 . . . 6104 1 346 . 1 1 37 37 LYS CG C 13 25.008 . . 1 . . . A 30 . . . 6104 1 347 . 1 1 37 37 LYS HG3 H 1 1.478 . . 2 . . . A 30 . . . 6104 1 348 . 1 1 37 37 LYS HG2 H 1 1.542 . . 2 . . . A 30 . . . 6104 1 349 . 1 1 37 37 LYS CD C 13 28.900 . . 1 . . . A 30 . . . 6104 1 350 . 1 1 37 37 LYS HD2 H 1 1.748 . . 2 . . . A 30 . . . 6104 1 351 . 1 1 37 37 LYS HE2 H 1 3.007 . . 2 . . . A 30 . . . 6104 1 352 . 1 1 38 38 ARG N N 15 119.701 . . 1 . . . A 31 . . . 6104 1 353 . 1 1 38 38 ARG H H 1 7.865 . . 1 . . . A 31 . . . 6104 1 354 . 1 1 38 38 ARG CA C 13 59.032 . . 1 . . . A 31 . . . 6104 1 355 . 1 1 38 38 ARG HA H 1 4.117 . . 1 . . . A 31 . . . 6104 1 356 . 1 1 38 38 ARG CB C 13 30.387 . . 1 . . . A 31 . . . 6104 1 357 . 1 1 38 38 ARG HB3 H 1 2.053 . . 2 . . . A 31 . . . 6104 1 358 . 1 1 38 38 ARG HB2 H 1 1.996 . . 2 . . . A 31 . . . 6104 1 359 . 1 1 38 38 ARG CG C 13 28.300 . . 1 . . . A 31 . . . 6104 1 360 . 1 1 38 38 ARG HG3 H 1 1.645 . . 2 . . . A 31 . . . 6104 1 361 . 1 1 38 38 ARG HG2 H 1 1.849 . . 2 . . . A 31 . . . 6104 1 362 . 1 1 38 38 ARG CD C 13 43.765 . . 1 . . . A 31 . . . 6104 1 363 . 1 1 38 38 ARG HD2 H 1 3.243 . . 2 . . . A 31 . . . 6104 1 364 . 1 1 39 39 VAL N N 15 110.310 . . 1 . . . A 32 . . . 6104 1 365 . 1 1 39 39 VAL H H 1 7.514 . . 1 . . . A 32 . . . 6104 1 366 . 1 1 39 39 VAL CA C 13 61.375 . . 1 . . . A 32 . . . 6104 1 367 . 1 1 39 39 VAL HA H 1 4.429 . . 1 . . . A 32 . . . 6104 1 368 . 1 1 39 39 VAL CB C 13 31.464 . . 1 . . . A 32 . . . 6104 1 369 . 1 1 39 39 VAL HB H 1 2.498 . . 1 . . . A 32 . . . 6104 1 370 . 1 1 39 39 VAL CG2 C 13 19.640 . . 2 . . . A 32 . . . 6104 1 371 . 1 1 39 39 VAL HG21 H 1 1.022 . . 2 . . . A 32 . . . 6104 1 372 . 1 1 39 39 VAL HG22 H 1 1.022 . . 2 . . . A 32 . . . 6104 1 373 . 1 1 39 39 VAL HG23 H 1 1.022 . . 2 . . . A 32 . . . 6104 1 374 . 1 1 39 39 VAL CG1 C 13 21.270 . . 2 . . . A 32 . . . 6104 1 375 . 1 1 39 39 VAL HG11 H 1 0.833 . . 2 . . . A 32 . . . 6104 1 376 . 1 1 39 39 VAL HG12 H 1 0.833 . . 2 . . . A 32 . . . 6104 1 377 . 1 1 39 39 VAL HG13 H 1 0.833 . . 2 . . . A 32 . . . 6104 1 378 . 1 1 39 39 VAL C C 13 176.458 . . 1 . . . A 32 . . . 6104 1 379 . 1 1 40 40 GLY N N 15 108.321 . . 1 . . . A 33 . . . 6104 1 380 . 1 1 40 40 GLY H H 1 7.694 . . 1 . . . A 33 . . . 6104 1 381 . 1 1 40 40 GLY CA C 13 45.982 . . 1 . . . A 33 . . . 6104 1 382 . 1 1 40 40 GLY HA3 H 1 4.191 . . 2 . . . A 33 . . . 6104 1 383 . 1 1 40 40 GLY HA2 H 1 3.848 . . 2 . . . A 33 . . . 6104 1 384 . 1 1 40 40 GLY C C 13 175.014 . . 1 . . . A 33 . . . 6104 1 385 . 1 1 41 41 SER N N 15 114.250 . . 1 . . . A 34 . . . 6104 1 386 . 1 1 41 41 SER H H 1 7.952 . . 1 . . . A 34 . . . 6104 1 387 . 1 1 41 41 SER CA C 13 58.573 . . 1 . . . A 34 . . . 6104 1 388 . 1 1 41 41 SER HA H 1 4.354 . . 1 . . . A 34 . . . 6104 1 389 . 1 1 41 41 SER CB C 13 64.308 . . 1 . . . A 34 . . . 6104 1 390 . 1 1 41 41 SER HB3 H 1 3.741 . . 2 . . . A 34 . . . 6104 1 391 . 1 1 41 41 SER HB2 H 1 3.573 . . 2 . . . A 34 . . . 6104 1 392 . 1 1 41 41 SER C C 13 176.025 . . 1 . . . A 34 . . . 6104 1 393 . 1 1 42 42 GLU N N 15 126.587 . . 1 . . . A 35 . . . 6104 1 394 . 1 1 42 42 GLU H H 1 8.967 . . 1 . . . A 35 . . . 6104 1 395 . 1 1 42 42 GLU CA C 13 56.214 . . 1 . . . A 35 . . . 6104 1 396 . 1 1 42 42 GLU HA H 1 4.382 . . 1 . . . A 35 . . . 6104 1 397 . 1 1 42 42 GLU CB C 13 29.687 . . 1 . . . A 35 . . . 6104 1 398 . 1 1 42 42 GLU HB3 H 1 2.280 . . 2 . . . A 35 . . . 6104 1 399 . 1 1 42 42 GLU HB2 H 1 1.861 . . 2 . . . A 35 . . . 6104 1 400 . 1 1 42 42 GLU CG C 13 36.259 . . 1 . . . A 35 . . . 6104 1 401 . 1 1 42 42 GLU HG3 H 1 2.228 . . 2 . . . A 35 . . . 6104 1 402 . 1 1 42 42 GLU HG2 H 1 2.319 . . 2 . . . A 35 . . . 6104 1 403 . 1 1 42 42 GLU C C 13 176.474 . . 1 . . . A 35 . . . 6104 1 404 . 1 1 43 43 LEU N N 15 122.179 . . 1 . . . A 36 . . . 6104 1 405 . 1 1 43 43 LEU H H 1 7.830 . . 1 . . . A 36 . . . 6104 1 406 . 1 1 43 43 LEU CA C 13 55.597 . . 1 . . . A 36 . . . 6104 1 407 . 1 1 43 43 LEU HA H 1 4.306 . . 1 . . . A 36 . . . 6104 1 408 . 1 1 43 43 LEU CB C 13 42.852 . . 1 . . . A 36 . . . 6104 1 409 . 1 1 43 43 LEU HB3 H 1 1.529 . . 2 . . . A 36 . . . 6104 1 410 . 1 1 43 43 LEU HB2 H 1 1.400 . . 2 . . . A 36 . . . 6104 1 411 . 1 1 43 43 LEU CG C 13 27.568 . . 1 . . . A 36 . . . 6104 1 412 . 1 1 43 43 LEU HG H 1 1.644 . . 1 . . . A 36 . . . 6104 1 413 . 1 1 43 43 LEU CD1 C 13 23.608 . . 1 . . . A 36 . . . 6104 1 414 . 1 1 43 43 LEU HD11 H 1 0.768 . . 2 . . . A 36 . . . 6104 1 415 . 1 1 43 43 LEU HD12 H 1 0.768 . . 2 . . . A 36 . . . 6104 1 416 . 1 1 43 43 LEU HD13 H 1 0.768 . . 2 . . . A 36 . . . 6104 1 417 . 1 1 43 43 LEU CD2 C 13 25.940 . . 1 . . . A 36 . . . 6104 1 418 . 1 1 43 43 LEU HD21 H 1 0.771 . . 2 . . . A 36 . . . 6104 1 419 . 1 1 43 43 LEU HD22 H 1 0.771 . . 2 . . . A 36 . . . 6104 1 420 . 1 1 43 43 LEU HD23 H 1 0.771 . . 2 . . . A 36 . . . 6104 1 421 . 1 1 43 43 LEU C C 13 177.630 . . 1 . . . A 36 . . . 6104 1 422 . 1 1 44 44 MET N N 15 120.409 . . 1 . . . A 37 . . . 6104 1 423 . 1 1 44 44 MET H H 1 9.281 . . 1 . . . A 37 . . . 6104 1 424 . 1 1 44 44 MET CA C 13 54.990 . . 1 . . . A 37 . . . 6104 1 425 . 1 1 44 44 MET CB C 13 34.330 . . 1 . . . A 37 . . . 6104 1 426 . 1 1 44 44 MET HB3 H 1 2.089 . . 2 . . . A 37 . . . 6104 1 427 . 1 1 44 44 MET HB2 H 1 2.380 . . 2 . . . A 37 . . . 6104 1 428 . 1 1 44 44 MET CG C 13 32.466 . . 1 . . . A 37 . . . 6104 1 429 . 1 1 44 44 MET HG3 H 1 2.839 . . 2 . . . A 37 . . . 6104 1 430 . 1 1 44 44 MET HG2 H 1 2.699 . . 2 . . . A 37 . . . 6104 1 431 . 1 1 44 44 MET CE C 13 17.318 . . 1 . . . A 37 . . . 6104 1 432 . 1 1 44 44 MET HE1 H 1 2.157 . . 1 . . . A 37 . . . 6104 1 433 . 1 1 44 44 MET HE2 H 1 2.157 . . 1 . . . A 37 . . . 6104 1 434 . 1 1 44 44 MET HE3 H 1 2.157 . . 1 . . . A 37 . . . 6104 1 435 . 1 1 44 44 MET C C 13 178.055 . . 1 . . . A 37 . . . 6104 1 436 . 1 1 45 45 GLU CA C 13 61.830 . . 1 . . . A 38 . . . 6104 1 437 . 1 1 45 45 GLU HA H 1 3.880 . . 1 . . . A 38 . . . 6104 1 438 . 1 1 45 45 GLU CB C 13 29.400 . . 1 . . . A 38 . . . 6104 1 439 . 1 1 45 45 GLU HB3 H 1 2.160 . . 2 . . . A 38 . . . 6104 1 440 . 1 1 45 45 GLU HB2 H 1 2.240 . . 2 . . . A 38 . . . 6104 1 441 . 1 1 45 45 GLU CG C 13 37.360 . . 1 . . . A 38 . . . 6104 1 442 . 1 1 45 45 GLU HG3 H 1 2.367 . . 2 . . . A 38 . . . 6104 1 443 . 1 1 45 45 GLU HG2 H 1 2.411 . . 2 . . . A 38 . . . 6104 1 444 . 1 1 46 46 SER N N 15 112.507 . . 1 . . . A 39 . . . 6104 1 445 . 1 1 46 46 SER H H 1 8.681 . . 1 . . . A 39 . . . 6104 1 446 . 1 1 46 46 SER CA C 13 61.552 . . 1 . . . A 39 . . . 6104 1 447 . 1 1 46 46 SER HA H 1 4.132 . . 1 . . . A 39 . . . 6104 1 448 . 1 1 46 46 SER CB C 13 61.600 . . 1 . . . A 39 . . . 6104 1 449 . 1 1 46 46 SER HB3 H 1 3.921 . . 2 . . . A 39 . . . 6104 1 450 . 1 1 46 46 SER HB2 H 1 3.982 . . 2 . . . A 39 . . . 6104 1 451 . 1 1 47 47 GLU N N 15 121.748 . . 1 . . . A 40 . . . 6104 1 452 . 1 1 47 47 GLU H H 1 7.063 . . 1 . . . A 40 . . . 6104 1 453 . 1 1 47 47 GLU CA C 13 58.331 . . 1 . . . A 40 . . . 6104 1 454 . 1 1 47 47 GLU HA H 1 4.281 . . 1 . . . A 40 . . . 6104 1 455 . 1 1 47 47 GLU CB C 13 30.750 . . 1 . . . A 40 . . . 6104 1 456 . 1 1 47 47 GLU HB3 H 1 2.522 . . 2 . . . A 40 . . . 6104 1 457 . 1 1 47 47 GLU HB2 H 1 2.087 . . 2 . . . A 40 . . . 6104 1 458 . 1 1 47 47 GLU CG C 13 37.839 . . 1 . . . A 40 . . . 6104 1 459 . 1 1 47 47 GLU HG3 H 1 2.318 . . 2 . . . A 40 . . . 6104 1 460 . 1 1 47 47 GLU C C 13 179.626 . . 1 . . . A 40 . . . 6104 1 461 . 1 1 48 48 ILE N N 15 121.963 . . 1 . . . A 41 . . . 6104 1 462 . 1 1 48 48 ILE H H 1 8.155 . . 1 . . . A 41 . . . 6104 1 463 . 1 1 48 48 ILE CA C 13 65.311 . . 1 . . . A 41 . . . 6104 1 464 . 1 1 48 48 ILE HA H 1 3.597 . . 1 . . . A 41 . . . 6104 1 465 . 1 1 48 48 ILE CB C 13 37.443 . . 1 . . . A 41 . . . 6104 1 466 . 1 1 48 48 ILE HB H 1 2.035 . . 1 . . . A 41 . . . 6104 1 467 . 1 1 48 48 ILE CG1 C 13 29.669 . . 1 . . . A 41 . . . 6104 1 468 . 1 1 48 48 ILE HG13 H 1 1.816 . . 2 . . . A 41 . . . 6104 1 469 . 1 1 48 48 ILE HG12 H 1 0.732 . . 1 . . . A 41 . . . 6104 1 470 . 1 1 48 48 ILE CD1 C 13 14.048 . . 1 . . . A 41 . . . 6104 1 471 . 1 1 48 48 ILE HD11 H 1 0.787 . . 1 . . . A 41 . . . 6104 1 472 . 1 1 48 48 ILE HD12 H 1 0.787 . . 1 . . . A 41 . . . 6104 1 473 . 1 1 48 48 ILE HD13 H 1 0.787 . . 1 . . . A 41 . . . 6104 1 474 . 1 1 48 48 ILE CG2 C 13 18.480 . . 1 . . . A 41 . . . 6104 1 475 . 1 1 48 48 ILE HG21 H 1 0.775 . . 1 . . . A 41 . . . 6104 1 476 . 1 1 48 48 ILE HG22 H 1 0.775 . . 1 . . . A 41 . . . 6104 1 477 . 1 1 48 48 ILE HG23 H 1 0.775 . . 1 . . . A 41 . . . 6104 1 478 . 1 1 48 48 ILE C C 13 177.854 . . 1 . . . A 41 . . . 6104 1 479 . 1 1 49 49 LYS N N 15 121.316 . . 1 . . . A 42 . . . 6104 1 480 . 1 1 49 49 LYS H H 1 8.351 . . 1 . . . A 42 . . . 6104 1 481 . 1 1 49 49 LYS CA C 13 59.737 . . 1 . . . A 42 . . . 6104 1 482 . 1 1 49 49 LYS HA H 1 3.969 . . 1 . . . A 42 . . . 6104 1 483 . 1 1 49 49 LYS CB C 13 31.741 . . 1 . . . A 42 . . . 6104 1 484 . 1 1 49 49 LYS HB3 H 1 2.029 . . 2 . . . A 42 . . . 6104 1 485 . 1 1 49 49 LYS HB2 H 1 1.888 . . 2 . . . A 42 . . . 6104 1 486 . 1 1 49 49 LYS CG C 13 25.478 . . 1 . . . A 42 . . . 6104 1 487 . 1 1 49 49 LYS HG3 H 1 1.400 . . 2 . . . A 42 . . . 6104 1 488 . 1 1 49 49 LYS HG2 H 1 1.334 . . 2 . . . A 42 . . . 6104 1 489 . 1 1 49 49 LYS CD C 13 28.580 . . 1 . . . A 42 . . . 6104 1 490 . 1 1 49 49 LYS HD3 H 1 1.544 . . 2 . . . A 42 . . . 6104 1 491 . 1 1 49 49 LYS HD2 H 1 1.342 . . 2 . . . A 42 . . . 6104 1 492 . 1 1 49 49 LYS CE C 13 42.225 . . 1 . . . A 42 . . . 6104 1 493 . 1 1 49 49 LYS HE2 H 1 2.793 . . 2 . . . A 42 . . . 6104 1 494 . 1 1 49 49 LYS C C 13 178.316 . . 1 . . . A 42 . . . 6104 1 495 . 1 1 50 50 ASP N N 15 118.726 . . 1 . . . A 43 . . . 6104 1 496 . 1 1 50 50 ASP H H 1 7.754 . . 1 . . . A 43 . . . 6104 1 497 . 1 1 50 50 ASP CA C 13 57.640 . . 1 . . . A 43 . . . 6104 1 498 . 1 1 50 50 ASP HA H 1 4.380 . . 1 . . . A 43 . . . 6104 1 499 . 1 1 50 50 ASP CB C 13 40.312 . . 1 . . . A 43 . . . 6104 1 500 . 1 1 50 50 ASP HB3 H 1 2.802 . . 2 . . . A 43 . . . 6104 1 501 . 1 1 50 50 ASP HB2 H 1 2.677 . . 2 . . . A 43 . . . 6104 1 502 . 1 1 50 50 ASP C C 13 178.985 . . 1 . . . A 43 . . . 6104 1 503 . 1 1 51 51 LEU N N 15 122.611 . . 1 . . . A 44 . . . 6104 1 504 . 1 1 51 51 LEU H H 1 7.779 . . 1 . . . A 44 . . . 6104 1 505 . 1 1 51 51 LEU CA C 13 58.040 . . 1 . . . A 44 . . . 6104 1 506 . 1 1 51 51 LEU HA H 1 4.048 . . 1 . . . A 44 . . . 6104 1 507 . 1 1 51 51 LEU CB C 13 41.981 . . 1 . . . A 44 . . . 6104 1 508 . 1 1 51 51 LEU HB3 H 1 1.856 . . 2 . . . A 44 . . . 6104 1 509 . 1 1 51 51 LEU HB2 H 1 1.755 . . 2 . . . A 44 . . . 6104 1 510 . 1 1 51 51 LEU CG C 13 27.340 . . 1 . . . A 44 . . . 6104 1 511 . 1 1 51 51 LEU HG H 1 1.608 . . 1 . . . A 44 . . . 6104 1 512 . 1 1 51 51 LEU CD1 C 13 24.778 . . 1 . . . A 44 . . . 6104 1 513 . 1 1 51 51 LEU HD11 H 1 0.841 . . 2 . . . A 44 . . . 6104 1 514 . 1 1 51 51 LEU HD12 H 1 0.841 . . 2 . . . A 44 . . . 6104 1 515 . 1 1 51 51 LEU HD13 H 1 0.841 . . 2 . . . A 44 . . . 6104 1 516 . 1 1 51 51 LEU CD2 C 13 25.478 . . 2 . . . A 44 . . . 6104 1 517 . 1 1 51 51 LEU HD21 H 1 0.807 . . 2 . . . A 44 . . . 6104 1 518 . 1 1 51 51 LEU HD22 H 1 0.807 . . 2 . . . A 44 . . . 6104 1 519 . 1 1 51 51 LEU HD23 H 1 0.807 . . 2 . . . A 44 . . . 6104 1 520 . 1 1 51 51 LEU C C 13 178.288 . . 1 . . . A 44 . . . 6104 1 521 . 1 1 52 52 MET N N 15 119.103 . . 1 . . . A 45 . . . 6104 1 522 . 1 1 52 52 MET H H 1 8.399 . . 1 . . . A 45 . . . 6104 1 523 . 1 1 52 52 MET CA C 13 58.954 . . 1 . . . A 45 . . . 6104 1 524 . 1 1 52 52 MET HA H 1 3.984 . . 1 . . . A 45 . . . 6104 1 525 . 1 1 52 52 MET CB C 13 31.767 . . 1 . . . A 45 . . . 6104 1 526 . 1 1 52 52 MET HB3 H 1 2.465 . . 2 . . . A 45 . . . 6104 1 527 . 1 1 52 52 MET HB2 H 1 1.980 . . 2 . . . A 45 . . . 6104 1 528 . 1 1 52 52 MET CG C 13 32.626 . . 1 . . . A 45 . . . 6104 1 529 . 1 1 52 52 MET HG3 H 1 2.538 . . 2 . . . A 45 . . . 6104 1 530 . 1 1 52 52 MET HG2 H 1 2.793 . . 2 . . . A 45 . . . 6104 1 531 . 1 1 52 52 MET CE C 13 18.478 . . 1 . . . A 45 . . . 6104 1 532 . 1 1 52 52 MET HE1 H 1 2.033 . . 1 . . . A 45 . . . 6104 1 533 . 1 1 52 52 MET HE2 H 1 2.033 . . 1 . . . A 45 . . . 6104 1 534 . 1 1 52 52 MET HE3 H 1 2.033 . . 1 . . . A 45 . . . 6104 1 535 . 1 1 52 52 MET C C 13 177.455 . . 1 . . . A 45 . . . 6104 1 536 . 1 1 53 53 ASP N N 15 116.753 . . 1 . . . A 46 . . . 6104 1 537 . 1 1 53 53 ASP H H 1 8.341 . . 1 . . . A 46 . . . 6104 1 538 . 1 1 53 53 ASP CA C 13 57.014 . . 1 . . . A 46 . . . 6104 1 539 . 1 1 53 53 ASP HA H 1 4.343 . . 1 . . . A 46 . . . 6104 1 540 . 1 1 53 53 ASP CB C 13 40.563 . . 1 . . . A 46 . . . 6104 1 541 . 1 1 53 53 ASP HB3 H 1 2.637 . . 2 . . . A 46 . . . 6104 1 542 . 1 1 53 53 ASP HB2 H 1 2.739 . . 2 . . . A 46 . . . 6104 1 543 . 1 1 53 53 ASP C C 13 178.651 . . 1 . . . A 46 . . . 6104 1 544 . 1 1 54 54 ALA N N 15 119.517 . . 1 . . . A 47 . . . 6104 1 545 . 1 1 54 54 ALA H H 1 7.777 . . 1 . . . A 47 . . . 6104 1 546 . 1 1 54 54 ALA CA C 13 54.083 . . 1 . . . A 47 . . . 6104 1 547 . 1 1 54 54 ALA HA H 1 4.068 . . 1 . . . A 47 . . . 6104 1 548 . 1 1 54 54 ALA CB C 13 18.713 . . 1 . . . A 47 . . . 6104 1 549 . 1 1 54 54 ALA HB1 H 1 1.336 . . 1 . . . A 47 . . . 6104 1 550 . 1 1 54 54 ALA HB2 H 1 1.336 . . 1 . . . A 47 . . . 6104 1 551 . 1 1 54 54 ALA HB3 H 1 1.336 . . 1 . . . A 47 . . . 6104 1 552 . 1 1 54 54 ALA C C 13 179.347 . . 1 . . . A 47 . . . 6104 1 553 . 1 1 55 55 ALA N N 15 117.261 . . 1 . . . A 48 . . . 6104 1 554 . 1 1 55 55 ALA H H 1 8.085 . . 1 . . . A 48 . . . 6104 1 555 . 1 1 55 55 ALA CA C 13 52.724 . . 1 . . . A 48 . . . 6104 1 556 . 1 1 55 55 ALA HA H 1 4.382 . . 1 . . . A 48 . . . 6104 1 557 . 1 1 55 55 ALA CB C 13 20.112 . . 1 . . . A 48 . . . 6104 1 558 . 1 1 55 55 ALA HB1 H 1 1.352 . . 1 . . . A 48 . . . 6104 1 559 . 1 1 55 55 ALA HB2 H 1 1.352 . . 1 . . . A 48 . . . 6104 1 560 . 1 1 55 55 ALA HB3 H 1 1.352 . . 1 . . . A 48 . . . 6104 1 561 . 1 1 55 55 ALA C C 13 178.957 . . 1 . . . A 48 . . . 6104 1 562 . 1 1 56 56 ASP N N 15 117.159 . . 1 . . . A 49 . . . 6104 1 563 . 1 1 56 56 ASP H H 1 8.076 . . 1 . . . A 49 . . . 6104 1 564 . 1 1 56 56 ASP CA C 13 52.674 . . 1 . . . A 49 . . . 6104 1 565 . 1 1 56 56 ASP HA H 1 4.739 . . 1 . . . A 49 . . . 6104 1 566 . 1 1 56 56 ASP CB C 13 38.900 . . 1 . . . A 49 . . . 6104 1 567 . 1 1 56 56 ASP HB3 H 1 3.000 . . 2 . . . A 49 . . . 6104 1 568 . 1 1 56 56 ASP HB2 H 1 2.399 . . 2 . . . A 49 . . . 6104 1 569 . 1 1 57 57 ILE N N 15 125.584 . . 1 . . . A 50 . . . 6104 1 570 . 1 1 57 57 ILE H H 1 8.039 . . 1 . . . A 50 . . . 6104 1 571 . 1 1 57 57 ILE CA C 13 63.710 . . 1 . . . A 50 . . . 6104 1 572 . 1 1 57 57 ILE HA H 1 3.903 . . 1 . . . A 50 . . . 6104 1 573 . 1 1 57 57 ILE CB C 13 38.146 . . 1 . . . A 50 . . . 6104 1 574 . 1 1 57 57 ILE HB H 1 2.036 . . 1 . . . A 50 . . . 6104 1 575 . 1 1 57 57 ILE CG1 C 13 28.038 . . 1 . . . A 50 . . . 6104 1 576 . 1 1 57 57 ILE HG13 H 1 1.426 . . 1 . . . A 50 . . . 6104 1 577 . 1 1 57 57 ILE HG12 H 1 1.654 . . 1 . . . A 50 . . . 6104 1 578 . 1 1 57 57 ILE CD1 C 13 12.878 . . 1 . . . A 50 . . . 6104 1 579 . 1 1 57 57 ILE HD11 H 1 0.955 . . 1 . . . A 50 . . . 6104 1 580 . 1 1 57 57 ILE HD12 H 1 0.955 . . 1 . . . A 50 . . . 6104 1 581 . 1 1 57 57 ILE HD13 H 1 0.955 . . 1 . . . A 50 . . . 6104 1 582 . 1 1 57 57 ILE CG2 C 13 18.248 . . 1 . . . A 50 . . . 6104 1 583 . 1 1 57 57 ILE HG21 H 1 1.035 . . 1 . . . A 50 . . . 6104 1 584 . 1 1 57 57 ILE HG22 H 1 1.035 . . 1 . . . A 50 . . . 6104 1 585 . 1 1 57 57 ILE HG23 H 1 1.035 . . 1 . . . A 50 . . . 6104 1 586 . 1 1 57 57 ILE C C 13 177.555 . . 1 . . . A 50 . . . 6104 1 587 . 1 1 58 58 ASP N N 15 116.280 . . 1 . . . A 51 . . . 6104 1 588 . 1 1 58 58 ASP H H 1 7.964 . . 1 . . . A 51 . . . 6104 1 589 . 1 1 58 58 ASP CA C 13 52.419 . . 1 . . . A 51 . . . 6104 1 590 . 1 1 58 58 ASP HA H 1 4.637 . . 1 . . . A 51 . . . 6104 1 591 . 1 1 58 58 ASP CB C 13 39.698 . . 1 . . . A 51 . . . 6104 1 592 . 1 1 58 58 ASP HB3 H 1 3.119 . . 2 . . . A 51 . . . 6104 1 593 . 1 1 58 58 ASP HB2 H 1 2.676 . . 2 . . . A 51 . . . 6104 1 594 . 1 1 58 58 ASP C C 13 175.996 . . 1 . . . A 51 . . . 6104 1 595 . 1 1 59 59 LYS N N 15 115.355 . . 1 . . . A 52 . . . 6104 1 596 . 1 1 59 59 LYS H H 1 7.863 . . 1 . . . A 52 . . . 6104 1 597 . 1 1 59 59 LYS CA C 13 57.084 . . 1 . . . A 52 . . . 6104 1 598 . 1 1 59 59 LYS HA H 1 3.909 . . 1 . . . A 52 . . . 6104 1 599 . 1 1 59 59 LYS CB C 13 28.644 . . 1 . . . A 52 . . . 6104 1 600 . 1 1 59 59 LYS HB3 H 1 1.962 . . 2 . . . A 52 . . . 6104 1 601 . 1 1 59 59 LYS CG C 13 25.010 . . 1 . . . A 52 . . . 6104 1 602 . 1 1 59 59 LYS HG3 H 1 1.358 . . 2 . . . A 52 . . . 6104 1 603 . 1 1 59 59 LYS HG2 H 1 1.449 . . 2 . . . A 52 . . . 6104 1 604 . 1 1 59 59 LYS CD C 13 28.424 . . 1 . . . A 52 . . . 6104 1 605 . 1 1 59 59 LYS HD3 H 1 1.682 . . 2 . . . A 52 . . . 6104 1 606 . 1 1 59 59 LYS HD2 H 1 1.759 . . 2 . . . A 52 . . . 6104 1 607 . 1 1 59 59 LYS CE C 13 42.408 . . 1 . . . A 52 . . . 6104 1 608 . 1 1 59 59 LYS HE2 H 1 3.059 . . 2 . . . A 52 . . . 6104 1 609 . 1 1 59 59 LYS C C 13 176.414 . . 1 . . . A 52 . . . 6104 1 610 . 1 1 60 60 SER N N 15 114.846 . . 1 . . . A 53 . . . 6104 1 611 . 1 1 60 60 SER H H 1 8.809 . . 1 . . . A 53 . . . 6104 1 612 . 1 1 60 60 SER CA C 13 59.662 . . 1 . . . A 53 . . . 6104 1 613 . 1 1 60 60 SER HA H 1 4.303 . . 1 . . . A 53 . . . 6104 1 614 . 1 1 60 60 SER CB C 13 65.289 . . 1 . . . A 53 . . . 6104 1 615 . 1 1 60 60 SER HB3 H 1 3.999 . . 2 . . . A 53 . . . 6104 1 616 . 1 1 60 60 SER HB2 H 1 4.262 . . 2 . . . A 53 . . . 6104 1 617 . 1 1 60 60 SER C C 13 176.742 . . 1 . . . A 53 . . . 6104 1 618 . 1 1 61 61 GLY N N 15 116.308 . . 1 . . . A 54 . . . 6104 1 619 . 1 1 61 61 GLY H H 1 10.775 . . 1 . . . A 54 . . . 6104 1 620 . 1 1 61 61 GLY CA C 13 45.450 . . 1 . . . A 54 . . . 6104 1 621 . 1 1 61 61 GLY HA3 H 1 4.306 . . 2 . . . A 54 . . . 6104 1 622 . 1 1 61 61 GLY HA2 H 1 3.549 . . 2 . . . A 54 . . . 6104 1 623 . 1 1 61 61 GLY C C 13 172.826 . . 1 . . . A 54 . . . 6104 1 624 . 1 1 62 62 THR N N 15 106.210 . . 1 . . . A 55 . . . 6104 1 625 . 1 1 62 62 THR H H 1 7.604 . . 1 . . . A 55 . . . 6104 1 626 . 1 1 62 62 THR CA C 13 58.106 . . 1 . . . A 55 . . . 6104 1 627 . 1 1 62 62 THR HA H 1 4.828 . . 1 . . . A 55 . . . 6104 1 628 . 1 1 62 62 THR CB C 13 73.482 . . 1 . . . A 55 . . . 6104 1 629 . 1 1 62 62 THR HB H 1 3.789 . . 1 . . . A 55 . . . 6104 1 630 . 1 1 62 62 THR CG2 C 13 23.374 . . 1 . . . A 55 . . . 6104 1 631 . 1 1 62 62 THR HG21 H 1 1.082 . . 1 . . . A 55 . . . 6104 1 632 . 1 1 62 62 THR HG22 H 1 1.082 . . 1 . . . A 55 . . . 6104 1 633 . 1 1 62 62 THR HG23 H 1 1.082 . . 1 . . . A 55 . . . 6104 1 634 . 1 1 62 62 THR C C 13 173.352 . . 1 . . . A 55 . . . 6104 1 635 . 1 1 63 63 ILE N N 15 126.279 . . 1 . . . A 56 . . . 6104 1 636 . 1 1 63 63 ILE H H 1 9.690 . . 1 . . . A 56 . . . 6104 1 637 . 1 1 63 63 ILE CA C 13 58.910 . . 1 . . . A 56 . . . 6104 1 638 . 1 1 63 63 ILE HA H 1 5.211 . . 1 . . . A 56 . . . 6104 1 639 . 1 1 63 63 ILE CB C 13 39.450 . . 1 . . . A 56 . . . 6104 1 640 . 1 1 63 63 ILE HB H 1 2.037 . . 1 . . . A 56 . . . 6104 1 641 . 1 1 63 63 ILE CG1 C 13 27.826 . . 1 . . . A 56 . . . 6104 1 642 . 1 1 63 63 ILE HG13 H 1 1.600 . . 2 . . . A 56 . . . 6104 1 643 . 1 1 63 63 ILE HG12 H 1 1.076 . . 1 . . . A 56 . . . 6104 1 644 . 1 1 63 63 ILE CD1 C 13 13.819 . . 1 . . . A 56 . . . 6104 1 645 . 1 1 63 63 ILE HD11 H 1 0.924 . . 1 . . . A 56 . . . 6104 1 646 . 1 1 63 63 ILE HD12 H 1 0.924 . . 1 . . . A 56 . . . 6104 1 647 . 1 1 63 63 ILE HD13 H 1 0.924 . . 1 . . . A 56 . . . 6104 1 648 . 1 1 63 63 ILE CG2 C 13 18.708 . . 1 . . . A 56 . . . 6104 1 649 . 1 1 63 63 ILE HG21 H 1 1.263 . . 1 . . . A 56 . . . 6104 1 650 . 1 1 63 63 ILE HG22 H 1 1.263 . . 1 . . . A 56 . . . 6104 1 651 . 1 1 63 63 ILE HG23 H 1 1.263 . . 1 . . . A 56 . . . 6104 1 652 . 1 1 63 63 ILE C C 13 176.157 . . 1 . . . A 56 . . . 6104 1 653 . 1 1 64 64 ASP N N 15 129.038 . . 1 . . . A 57 . . . 6104 1 654 . 1 1 64 64 ASP H H 1 9.099 . . 1 . . . A 57 . . . 6104 1 655 . 1 1 64 64 ASP CA C 13 52.504 . . 1 . . . A 57 . . . 6104 1 656 . 1 1 64 64 ASP HA H 1 5.296 . . 1 . . . A 57 . . . 6104 1 657 . 1 1 64 64 ASP CB C 13 41.866 . . 1 . . . A 57 . . . 6104 1 658 . 1 1 64 64 ASP HB3 H 1 3.345 . . 2 . . . A 57 . . . 6104 1 659 . 1 1 64 64 ASP HB2 H 1 2.645 . . 2 . . . A 57 . . . 6104 1 660 . 1 1 64 64 ASP C C 13 175.777 . . 1 . . . A 57 . . . 6104 1 661 . 1 1 65 65 TYR N N 15 119.158 . . 1 . . . A 58 . . . 6104 1 662 . 1 1 65 65 TYR H H 1 8.728 . . 1 . . . A 58 . . . 6104 1 663 . 1 1 65 65 TYR CA C 13 62.311 . . 1 . . . A 58 . . . 6104 1 664 . 1 1 65 65 TYR HA H 1 3.629 . . 1 . . . A 58 . . . 6104 1 665 . 1 1 65 65 TYR CB C 13 37.948 . . 1 . . . A 58 . . . 6104 1 666 . 1 1 65 65 TYR HB3 H 1 2.555 . . 2 . . . A 58 . . . 6104 1 667 . 1 1 65 65 TYR HB2 H 1 2.289 . . 2 . . . A 58 . . . 6104 1 668 . 1 1 65 65 TYR HD1 H 1 6.347 . . 3 . . . A 58 . . . 6104 1 669 . 1 1 65 65 TYR HE1 H 1 6.567 . . 3 . . . A 58 . . . 6104 1 670 . 1 1 65 65 TYR C C 13 176.917 . . 1 . . . A 58 . . . 6104 1 671 . 1 1 66 66 GLY N N 15 105.406 . . 1 . . . A 59 . . . 6104 1 672 . 1 1 66 66 GLY H H 1 8.270 . . 1 . . . A 59 . . . 6104 1 673 . 1 1 66 66 GLY CA C 13 47.147 . . 1 . . . A 59 . . . 6104 1 674 . 1 1 66 66 GLY HA3 H 1 3.904 . . 2 . . . A 59 . . . 6104 1 675 . 1 1 66 66 GLY HA2 H 1 3.593 . . 2 . . . A 59 . . . 6104 1 676 . 1 1 66 66 GLY C C 13 178.079 . . 1 . . . A 59 . . . 6104 1 677 . 1 1 67 67 GLU N N 15 122.503 . . 1 . . . A 60 . . . 6104 1 678 . 1 1 67 67 GLU H H 1 8.426 . . 1 . . . A 60 . . . 6104 1 679 . 1 1 67 67 GLU CA C 13 58.058 . . 1 . . . A 60 . . . 6104 1 680 . 1 1 67 67 GLU HA H 1 4.194 . . 1 . . . A 60 . . . 6104 1 681 . 1 1 67 67 GLU CB C 13 30.642 . . 1 . . . A 60 . . . 6104 1 682 . 1 1 67 67 GLU HB3 H 1 2.535 . . 2 . . . A 60 . . . 6104 1 683 . 1 1 67 67 GLU HB2 H 1 2.272 . . 2 . . . A 60 . . . 6104 1 684 . 1 1 67 67 GLU CG C 13 37.360 . . 1 . . . A 60 . . . 6104 1 685 . 1 1 67 67 GLU HG3 H 1 2.407 . . 2 . . . A 60 . . . 6104 1 686 . 1 1 67 67 GLU HG2 H 1 2.962 . . 2 . . . A 60 . . . 6104 1 687 . 1 1 67 67 GLU C C 13 179.694 . . 1 . . . A 60 . . . 6104 1 688 . 1 1 68 68 PHE N N 15 122.179 . . 1 . . . A 61 . . . 6104 1 689 . 1 1 68 68 PHE H H 1 8.847 . . 1 . . . A 61 . . . 6104 1 690 . 1 1 68 68 PHE CA C 13 61.627 . . 1 . . . A 61 . . . 6104 1 691 . 1 1 68 68 PHE HA H 1 3.960 . . 1 . . . A 61 . . . 6104 1 692 . 1 1 68 68 PHE CB C 13 40.093 . . 1 . . . A 61 . . . 6104 1 693 . 1 1 68 68 PHE HB3 H 1 3.397 . . 2 . . . A 61 . . . 6104 1 694 . 1 1 68 68 PHE HB2 H 1 3.277 . . 2 . . . A 61 . . . 6104 1 695 . 1 1 68 68 PHE HD1 H 1 7.037 . . 3 . . . A 61 . . . 6104 1 696 . 1 1 68 68 PHE HE1 H 1 6.967 . . 3 . . . A 61 . . . 6104 1 697 . 1 1 68 68 PHE HZ H 1 7.206 . . 1 . . . A 61 . . . 6104 1 698 . 1 1 68 68 PHE C C 13 177.414 . . 1 . . . A 61 . . . 6104 1 699 . 1 1 69 69 ILE N N 15 116.137 . . 1 . . . A 62 . . . 6104 1 700 . 1 1 69 69 ILE H H 1 8.134 . . 1 . . . A 62 . . . 6104 1 701 . 1 1 69 69 ILE CA C 13 63.395 . . 1 . . . A 62 . . . 6104 1 702 . 1 1 69 69 ILE HA H 1 3.613 . . 1 . . . A 62 . . . 6104 1 703 . 1 1 69 69 ILE CB C 13 36.914 . . 1 . . . A 62 . . . 6104 1 704 . 1 1 69 69 ILE HB H 1 1.824 . . 1 . . . A 62 . . . 6104 1 705 . 1 1 69 69 ILE CG1 C 13 27.105 . . 1 . . . A 62 . . . 6104 1 706 . 1 1 69 69 ILE HG13 H 1 1.174 . . 1 . . . A 62 . . . 6104 1 707 . 1 1 69 69 ILE HG12 H 1 1.097 . . 2 . . . A 62 . . . 6104 1 708 . 1 1 69 69 ILE CD1 C 13 12.180 . . 1 . . . A 62 . . . 6104 1 709 . 1 1 69 69 ILE HD11 H 1 0.656 . . 1 . . . A 62 . . . 6104 1 710 . 1 1 69 69 ILE HD12 H 1 0.656 . . 1 . . . A 62 . . . 6104 1 711 . 1 1 69 69 ILE HD13 H 1 0.656 . . 1 . . . A 62 . . . 6104 1 712 . 1 1 69 69 ILE CG2 C 13 17.560 . . 1 . . . A 62 . . . 6104 1 713 . 1 1 69 69 ILE HG21 H 1 0.735 . . 1 . . . A 62 . . . 6104 1 714 . 1 1 69 69 ILE HG22 H 1 0.735 . . 1 . . . A 62 . . . 6104 1 715 . 1 1 69 69 ILE HG23 H 1 0.735 . . 1 . . . A 62 . . . 6104 1 716 . 1 1 69 69 ILE C C 13 178.635 . . 1 . . . A 62 . . . 6104 1 717 . 1 1 70 70 ALA N N 15 121.616 . . 1 . . . A 63 . . . 6104 1 718 . 1 1 70 70 ALA H H 1 7.395 . . 1 . . . A 63 . . . 6104 1 719 . 1 1 70 70 ALA CA C 13 54.160 . . 1 . . . A 63 . . . 6104 1 720 . 1 1 70 70 ALA HA H 1 4.189 . . 1 . . . A 63 . . . 6104 1 721 . 1 1 70 70 ALA CB C 13 18.718 . . 1 . . . A 63 . . . 6104 1 722 . 1 1 70 70 ALA HB1 H 1 1.534 . . 1 . . . A 63 . . . 6104 1 723 . 1 1 70 70 ALA HB2 H 1 1.534 . . 1 . . . A 63 . . . 6104 1 724 . 1 1 70 70 ALA HB3 H 1 1.534 . . 1 . . . A 63 . . . 6104 1 725 . 1 1 70 70 ALA C C 13 179.090 . . 1 . . . A 63 . . . 6104 1 726 . 1 1 71 71 ALA N N 15 118.880 . . 1 . . . A 64 . . . 6104 1 727 . 1 1 71 71 ALA H H 1 7.646 . . 1 . . . A 64 . . . 6104 1 728 . 1 1 71 71 ALA CA C 13 52.745 . . 1 . . . A 64 . . . 6104 1 729 . 1 1 71 71 ALA HA H 1 4.378 . . 1 . . . A 64 . . . 6104 1 730 . 1 1 71 71 ALA CB C 13 19.178 . . 1 . . . A 64 . . . 6104 1 731 . 1 1 71 71 ALA HB1 H 1 1.422 . . 1 . . . A 64 . . . 6104 1 732 . 1 1 71 71 ALA HB2 H 1 1.422 . . 1 . . . A 64 . . . 6104 1 733 . 1 1 71 71 ALA HB3 H 1 1.422 . . 1 . . . A 64 . . . 6104 1 734 . 1 1 71 71 ALA C C 13 178.329 . . 1 . . . A 64 . . . 6104 1 735 . 1 1 72 72 THR N N 15 109.879 . . 1 . . . A 65 . . . 6104 1 736 . 1 1 72 72 THR H H 1 7.607 . . 1 . . . A 65 . . . 6104 1 737 . 1 1 72 72 THR CA C 13 64.837 . . 1 . . . A 65 . . . 6104 1 738 . 1 1 72 72 THR HA H 1 3.835 . . 1 . . . A 65 . . . 6104 1 739 . 1 1 72 72 THR HB H 1 4.064 . . 1 . . . A 65 . . . 6104 1 740 . 1 1 72 72 THR CG2 C 13 21.268 . . 1 . . . A 65 . . . 6104 1 741 . 1 1 72 72 THR HG21 H 1 0.807 . . 1 . . . A 65 . . . 6104 1 742 . 1 1 72 72 THR HG22 H 1 0.807 . . 1 . . . A 65 . . . 6104 1 743 . 1 1 72 72 THR HG23 H 1 0.807 . . 1 . . . A 65 . . . 6104 1 744 . 1 1 72 72 THR C C 13 176.018 . . 1 . . . A 65 . . . 6104 1 745 . 1 1 73 73 VAL N N 15 119.450 . . 1 . . . A 66 . . . 6104 1 746 . 1 1 73 73 VAL H H 1 7.397 . . 1 . . . A 66 . . . 6104 1 747 . 1 1 73 73 VAL CA C 13 64.160 . . 1 . . . A 66 . . . 6104 1 748 . 1 1 73 73 VAL HA H 1 3.845 . . 1 . . . A 66 . . . 6104 1 749 . 1 1 73 73 VAL CB C 13 31.530 . . 1 . . . A 66 . . . 6104 1 750 . 1 1 73 73 VAL HB H 1 1.950 . . 1 . . . A 66 . . . 6104 1 751 . 1 1 73 73 VAL CG2 C 13 20.570 . . 2 . . . A 66 . . . 6104 1 752 . 1 1 73 73 VAL HG21 H 1 0.711 . . 2 . . . A 66 . . . 6104 1 753 . 1 1 73 73 VAL HG22 H 1 0.711 . . 2 . . . A 66 . . . 6104 1 754 . 1 1 73 73 VAL HG23 H 1 0.711 . . 2 . . . A 66 . . . 6104 1 755 . 1 1 73 73 VAL CG1 C 13 21.510 . . 2 . . . A 66 . . . 6104 1 756 . 1 1 73 73 VAL HG11 H 1 0.830 . . 2 . . . A 66 . . . 6104 1 757 . 1 1 73 73 VAL HG12 H 1 0.830 . . 2 . . . A 66 . . . 6104 1 758 . 1 1 73 73 VAL HG13 H 1 0.830 . . 2 . . . A 66 . . . 6104 1 759 . 1 1 73 73 VAL C C 13 176.352 . . 1 . . . A 66 . . . 6104 1 760 . 1 1 74 74 HIS N N 15 118.214 . . 1 . . . A 67 . . . 6104 1 761 . 1 1 74 74 HIS H H 1 7.745 . . 1 . . . A 67 . . . 6104 1 762 . 1 1 74 74 HIS CA C 13 57.406 . . 1 . . . A 67 . . . 6104 1 763 . 1 1 74 74 HIS HA H 1 4.511 . . 1 . . . A 67 . . . 6104 1 764 . 1 1 74 74 HIS CB C 13 30.900 . . 1 . . . A 67 . . . 6104 1 765 . 1 1 74 74 HIS HB3 H 1 3.156 . . 2 . . . A 67 . . . 6104 1 766 . 1 1 74 74 HIS HB2 H 1 3.001 . . 2 . . . A 67 . . . 6104 1 767 . 1 1 74 74 HIS HD2 H 1 6.936 . . 1 . . . A 67 . . . 6104 1 768 . 1 1 75 75 LEU N N 15 119.633 . . 1 . . . A 68 . . . 6104 1 769 . 1 1 75 75 LEU H H 1 7.595 . . 1 . . . A 68 . . . 6104 1 770 . 1 1 75 75 LEU CA C 13 55.271 . . 1 . . . A 68 . . . 6104 1 771 . 1 1 75 75 LEU HA H 1 4.265 . . 1 . . . A 68 . . . 6104 1 772 . 1 1 75 75 LEU CB C 13 41.999 . . 1 . . . A 68 . . . 6104 1 773 . 1 1 75 75 LEU HB3 H 1 1.545 . . 2 . . . A 68 . . . 6104 1 774 . 1 1 75 75 LEU HB2 H 1 1.597 . . 2 . . . A 68 . . . 6104 1 775 . 1 1 75 75 LEU CG C 13 27.570 . . 1 . . . A 68 . . . 6104 1 776 . 1 1 75 75 LEU HG H 1 1.637 . . 1 . . . A 68 . . . 6104 1 777 . 1 1 75 75 LEU CD2 C 13 23.370 . . 1 . . . A 68 . . . 6104 1 778 . 1 1 75 75 LEU HD21 H 1 0.770 . . 2 . . . A 68 . . . 6104 1 779 . 1 1 75 75 LEU HD22 H 1 0.770 . . 2 . . . A 68 . . . 6104 1 780 . 1 1 75 75 LEU HD23 H 1 0.770 . . 2 . . . A 68 . . . 6104 1 781 . 1 1 76 76 ASN N N 15 118.056 . . 1 . . . A 69 . . . 6104 1 782 . 1 1 76 76 ASN H H 1 7.950 . . 1 . . . A 69 . . . 6104 1 783 . 1 1 76 76 ASN CA C 13 53.414 . . 1 . . . A 69 . . . 6104 1 784 . 1 1 76 76 ASN HA H 1 4.719 . . 1 . . . A 69 . . . 6104 1 785 . 1 1 76 76 ASN CB C 13 39.058 . . 1 . . . A 69 . . . 6104 1 786 . 1 1 76 76 ASN HB3 H 1 2.840 . . 2 . . . A 69 . . . 6104 1 787 . 1 1 76 76 ASN HB2 H 1 2.683 . . 2 . . . A 69 . . . 6104 1 788 . 1 1 77 77 LYS N N 15 125.825 . . 1 . . . A 70 . . . 6104 1 789 . 1 1 77 77 LYS H H 1 7.720 . . 1 . . . A 70 . . . 6104 1 790 . 1 1 77 77 LYS CA C 13 57.872 . . 1 . . . A 70 . . . 6104 1 791 . 1 1 77 77 LYS HA H 1 3.997 . . 1 . . . A 70 . . . 6104 1 792 . 1 1 77 77 LYS CB C 13 33.938 . . 1 . . . A 70 . . . 6104 1 793 . 1 1 77 77 LYS HB3 H 1 1.905 . . 2 . . . A 70 . . . 6104 1 794 . 1 1 77 77 LYS HG3 H 1 1.459 . . 2 . . . A 70 . . . 6104 1 795 . 1 1 77 77 LYS HD2 H 1 1.694 . . 2 . . . A 70 . . . 6104 1 796 . 1 1 77 77 LYS HE2 H 1 3.011 . . 2 . . . A 70 . . . 6104 1 797 . 1 1 78 78 LEU N N 15 120.894 . . 1 . . . A 71 . . . 6104 1 798 . 1 1 78 78 LEU H H 1 7.915 . . 1 . . . A 71 . . . 6104 1 799 . 1 1 78 78 LEU CA C 13 54.609 . . 1 . . . A 71 . . . 6104 1 800 . 1 1 78 78 LEU HA H 1 4.036 . . 1 . . . A 71 . . . 6104 1 801 . 1 1 78 78 LEU CB C 13 43.887 . . 1 . . . A 71 . . . 6104 1 802 . 1 1 78 78 LEU HB3 H 1 1.652 . . 2 . . . A 71 . . . 6104 1 803 . 1 1 78 78 LEU CD1 C 13 24.100 . . 1 . . . A 71 . . . 6104 1 804 . 1 1 78 78 LEU HD11 H 1 0.891 . . 2 . . . A 71 . . . 6104 1 805 . 1 1 78 78 LEU HD12 H 1 0.891 . . 2 . . . A 71 . . . 6104 1 806 . 1 1 78 78 LEU HD13 H 1 0.891 . . 2 . . . A 71 . . . 6104 1 807 . 1 1 79 79 GLU N N 15 120.579 . . 1 . . . A 72 . . . 6104 1 808 . 1 1 79 79 GLU H H 1 8.107 . . 1 . . . A 72 . . . 6104 1 809 . 1 1 79 79 GLU CA C 13 56.551 . . 1 . . . A 72 . . . 6104 1 810 . 1 1 79 79 GLU HA H 1 4.297 . . 1 . . . A 72 . . . 6104 1 811 . 1 1 79 79 GLU CB C 13 30.331 . . 1 . . . A 72 . . . 6104 1 812 . 1 1 79 79 GLU HB3 H 1 2.047 . . 2 . . . A 72 . . . 6104 1 813 . 1 1 79 79 GLU HG3 H 1 2.260 . . 2 . . . A 72 . . . 6104 1 814 . 1 1 80 80 ARG N N 15 121.636 . . 1 . . . A 73 . . . 6104 1 815 . 1 1 80 80 ARG H H 1 8.205 . . 1 . . . A 73 . . . 6104 1 816 . 1 1 80 80 ARG CA C 13 56.047 . . 1 . . . A 73 . . . 6104 1 817 . 1 1 80 80 ARG HA H 1 4.377 . . 1 . . . A 73 . . . 6104 1 818 . 1 1 80 80 ARG CB C 13 31.317 . . 1 . . . A 73 . . . 6104 1 819 . 1 1 80 80 ARG HB3 H 1 1.821 . . 2 . . . A 73 . . . 6104 1 820 . 1 1 80 80 ARG HG2 H 1 1.624 . . 2 . . . A 73 . . . 6104 1 821 . 1 1 80 80 ARG HD2 H 1 3.208 . . 2 . . . A 73 . . . 6104 1 822 . 1 1 81 81 GLU N N 15 122.944 . . 1 . . . A 74 . . . 6104 1 823 . 1 1 81 81 GLU H H 1 8.436 . . 1 . . . A 74 . . . 6104 1 824 . 1 1 81 81 GLU CA C 13 56.689 . . 1 . . . A 74 . . . 6104 1 825 . 1 1 81 81 GLU CB C 13 30.488 . . 1 . . . A 74 . . . 6104 1 826 . 1 1 84 84 LEU HA H 1 3.937 . . 1 . . . A 77 . . . 6104 1 827 . 1 1 84 84 LEU HB3 H 1 1.935 . . 2 . . . A 77 . . . 6104 1 828 . 1 1 84 84 LEU HB2 H 1 2.076 . . 2 . . . A 77 . . . 6104 1 829 . 1 1 84 84 LEU HG H 1 1.935 . . 1 . . . A 77 . . . 6104 1 830 . 1 1 84 84 LEU HD11 H 1 0.917 . . 2 . . . A 77 . . . 6104 1 831 . 1 1 84 84 LEU HD12 H 1 0.917 . . 2 . . . A 77 . . . 6104 1 832 . 1 1 84 84 LEU HD13 H 1 0.917 . . 2 . . . A 77 . . . 6104 1 833 . 1 1 85 85 VAL N N 15 120.012 . . 1 . . . A 78 . . . 6104 1 834 . 1 1 85 85 VAL H H 1 8.082 . . 1 . . . A 78 . . . 6104 1 835 . 1 1 85 85 VAL CA C 13 66.492 . . 1 . . . A 78 . . . 6104 1 836 . 1 1 85 85 VAL HA H 1 3.874 . . 1 . . . A 78 . . . 6104 1 837 . 1 1 85 85 VAL CB C 13 31.760 . . 1 . . . A 78 . . . 6104 1 838 . 1 1 85 85 VAL HB H 1 2.196 . . 1 . . . A 78 . . . 6104 1 839 . 1 1 85 85 VAL CG2 C 13 23.148 . . 2 . . . A 78 . . . 6104 1 840 . 1 1 85 85 VAL HG21 H 1 0.999 . . 2 . . . A 78 . . . 6104 1 841 . 1 1 85 85 VAL HG22 H 1 0.999 . . 2 . . . A 78 . . . 6104 1 842 . 1 1 85 85 VAL HG23 H 1 0.999 . . 2 . . . A 78 . . . 6104 1 843 . 1 1 86 86 SER N N 15 119.450 . . 1 . . . A 79 . . . 6104 1 844 . 1 1 86 86 SER H H 1 8.322 . . 1 . . . A 79 . . . 6104 1 845 . 1 1 86 86 SER HA H 1 4.303 . . 1 . . . A 79 . . . 6104 1 846 . 1 1 86 86 SER HB3 H 1 3.950 . . 2 . . . A 79 . . . 6104 1 847 . 1 1 87 87 ALA N N 15 124.455 . . 1 . . . A 80 . . . 6104 1 848 . 1 1 87 87 ALA H H 1 8.061 . . 1 . . . A 80 . . . 6104 1 849 . 1 1 87 87 ALA CA C 13 55.304 . . 1 . . . A 80 . . . 6104 1 850 . 1 1 87 87 ALA HA H 1 4.288 . . 1 . . . A 80 . . . 6104 1 851 . 1 1 87 87 ALA CB C 13 18.524 . . 1 . . . A 80 . . . 6104 1 852 . 1 1 87 87 ALA HB1 H 1 1.840 . . 1 . . . A 80 . . . 6104 1 853 . 1 1 87 87 ALA HB2 H 1 1.840 . . 1 . . . A 80 . . . 6104 1 854 . 1 1 87 87 ALA HB3 H 1 1.840 . . 1 . . . A 80 . . . 6104 1 855 . 1 1 87 87 ALA C C 13 178.678 . . 1 . . . A 80 . . . 6104 1 856 . 1 1 88 88 PHE N N 15 119.148 . . 1 . . . A 81 . . . 6104 1 857 . 1 1 88 88 PHE H H 1 8.636 . . 1 . . . A 81 . . . 6104 1 858 . 1 1 88 88 PHE CA C 13 61.968 . . 1 . . . A 81 . . . 6104 1 859 . 1 1 88 88 PHE HA H 1 3.243 . . 1 . . . A 81 . . . 6104 1 860 . 1 1 88 88 PHE CB C 13 39.685 . . 1 . . . A 81 . . . 6104 1 861 . 1 1 88 88 PHE HB3 H 1 2.957 . . 2 . . . A 81 . . . 6104 1 862 . 1 1 88 88 PHE HB2 H 1 3.243 . . 2 . . . A 81 . . . 6104 1 863 . 1 1 88 88 PHE HD1 H 1 6.727 . . 3 . . . A 81 . . . 6104 1 864 . 1 1 88 88 PHE HE1 H 1 7.084 . . 3 . . . A 81 . . . 6104 1 865 . 1 1 88 88 PHE HE2 H 1 6.997 . . 3 . . . A 81 . . . 6104 1 866 . 1 1 88 88 PHE C C 13 177.854 . . 1 . . . A 81 . . . 6104 1 867 . 1 1 89 89 SER N N 15 113.338 . . 1 . . . A 82 . . . 6104 1 868 . 1 1 89 89 SER H H 1 8.495 . . 1 . . . A 82 . . . 6104 1 869 . 1 1 89 89 SER CA C 13 61.362 . . 1 . . . A 82 . . . 6104 1 870 . 1 1 89 89 SER HA H 1 4.053 . . 1 . . . A 82 . . . 6104 1 871 . 1 1 89 89 SER CB C 13 62.998 . . 1 . . . A 82 . . . 6104 1 872 . 1 1 89 89 SER HB3 H 1 4.059 . . 2 . . . A 82 . . . 6104 1 873 . 1 1 89 89 SER HB2 H 1 4.027 . . 2 . . . A 82 . . . 6104 1 874 . 1 1 89 89 SER C C 13 174.945 . . 1 . . . A 82 . . . 6104 1 875 . 1 1 90 90 TYR N N 15 120.453 . . 1 . . . A 83 . . . 6104 1 876 . 1 1 90 90 TYR H H 1 7.511 . . 1 . . . A 83 . . . 6104 1 877 . 1 1 90 90 TYR CA C 13 60.495 . . 1 . . . A 83 . . . 6104 1 878 . 1 1 90 90 TYR HA H 1 3.993 . . 1 . . . A 83 . . . 6104 1 879 . 1 1 90 90 TYR CB C 13 38.066 . . 1 . . . A 83 . . . 6104 1 880 . 1 1 90 90 TYR HB3 H 1 3.075 . . 2 . . . A 83 . . . 6104 1 881 . 1 1 90 90 TYR HB2 H 1 2.993 . . 2 . . . A 83 . . . 6104 1 882 . 1 1 90 90 TYR HD1 H 1 6.506 . . 3 . . . A 83 . . . 6104 1 883 . 1 1 90 90 TYR HE1 H 1 6.050 . . 3 . . . A 83 . . . 6104 1 884 . 1 1 90 90 TYR HD2 H 1 6.435 . . 3 . . . A 83 . . . 6104 1 885 . 1 1 90 90 TYR C C 13 176.449 . . 1 . . . A 83 . . . 6104 1 886 . 1 1 91 91 PHE N N 15 113.116 . . 1 . . . A 84 . . . 6104 1 887 . 1 1 91 91 PHE H H 1 7.065 . . 1 . . . A 84 . . . 6104 1 888 . 1 1 91 91 PHE CA C 13 59.962 . . 1 . . . A 84 . . . 6104 1 889 . 1 1 91 91 PHE HA H 1 3.933 . . 1 . . . A 84 . . . 6104 1 890 . 1 1 91 91 PHE CB C 13 41.490 . . 1 . . . A 84 . . . 6104 1 891 . 1 1 91 91 PHE HB3 H 1 2.626 . . 2 . . . A 84 . . . 6104 1 892 . 1 1 91 91 PHE HB2 H 1 2.595 . . 2 . . . A 84 . . . 6104 1 893 . 1 1 91 91 PHE HD1 H 1 7.257 . . 3 . . . A 84 . . . 6104 1 894 . 1 1 91 91 PHE HE1 H 1 6.588 . . 3 . . . A 84 . . . 6104 1 895 . 1 1 91 91 PHE C C 13 177.675 . . 1 . . . A 84 . . . 6104 1 896 . 1 1 92 92 ASP N N 15 118.197 . . 1 . . . A 85 . . . 6104 1 897 . 1 1 92 92 ASP H H 1 7.905 . . 1 . . . A 85 . . . 6104 1 898 . 1 1 92 92 ASP CA C 13 52.859 . . 1 . . . A 85 . . . 6104 1 899 . 1 1 92 92 ASP HA H 1 4.670 . . 1 . . . A 85 . . . 6104 1 900 . 1 1 92 92 ASP CB C 13 38.720 . . 1 . . . A 85 . . . 6104 1 901 . 1 1 92 92 ASP HB3 H 1 1.403 . . 2 . . . A 85 . . . 6104 1 902 . 1 1 92 92 ASP HB2 H 1 2.370 . . 2 . . . A 85 . . . 6104 1 903 . 1 1 93 93 LYS N N 15 125.525 . . 1 . . . A 86 . . . 6104 1 904 . 1 1 93 93 LYS H H 1 7.972 . . 1 . . . A 86 . . . 6104 1 905 . 1 1 93 93 LYS CA C 13 58.346 . . 1 . . . A 86 . . . 6104 1 906 . 1 1 93 93 LYS HA H 1 3.943 . . 1 . . . A 86 . . . 6104 1 907 . 1 1 93 93 LYS CB C 13 33.080 . . 1 . . . A 86 . . . 6104 1 908 . 1 1 93 93 LYS HB3 H 1 1.821 . . 2 . . . A 86 . . . 6104 1 909 . 1 1 93 93 LYS CG C 13 24.768 . . 1 . . . A 86 . . . 6104 1 910 . 1 1 93 93 LYS HG3 H 1 1.412 . . 2 . . . A 86 . . . 6104 1 911 . 1 1 93 93 LYS HG2 H 1 1.468 . . 2 . . . A 86 . . . 6104 1 912 . 1 1 93 93 LYS CD C 13 28.730 . . 1 . . . A 86 . . . 6104 1 913 . 1 1 93 93 LYS HD2 H 1 1.646 . . 2 . . . A 86 . . . 6104 1 914 . 1 1 93 93 LYS CE C 13 42.400 . . 1 . . . A 86 . . . 6104 1 915 . 1 1 93 93 LYS HE2 H 1 2.920 . . 2 . . . A 86 . . . 6104 1 916 . 1 1 93 93 LYS C C 13 177.873 . . 1 . . . A 86 . . . 6104 1 917 . 1 1 94 94 ASP N N 15 113.959 . . 1 . . . A 87 . . . 6104 1 918 . 1 1 94 94 ASP H H 1 7.990 . . 1 . . . A 87 . . . 6104 1 919 . 1 1 94 94 ASP CA C 13 52.762 . . 1 . . . A 87 . . . 6104 1 920 . 1 1 94 94 ASP HA H 1 4.642 . . 1 . . . A 87 . . . 6104 1 921 . 1 1 94 94 ASP CB C 13 39.789 . . 1 . . . A 87 . . . 6104 1 922 . 1 1 94 94 ASP HB3 H 1 2.744 . . 2 . . . A 87 . . . 6104 1 923 . 1 1 94 94 ASP HB2 H 1 3.121 . . 2 . . . A 87 . . . 6104 1 924 . 1 1 94 94 ASP C C 13 177.873 . . 1 . . . A 87 . . . 6104 1 925 . 1 1 95 95 GLY N N 15 109.232 . . 1 . . . A 88 . . . 6104 1 926 . 1 1 95 95 GLY H H 1 7.925 . . 1 . . . A 88 . . . 6104 1 927 . 1 1 95 95 GLY CA C 13 47.145 . . 1 . . . A 88 . . . 6104 1 928 . 1 1 95 95 GLY HA3 H 1 3.796 . . 2 . . . A 88 . . . 6104 1 929 . 1 1 95 95 GLY HA2 H 1 3.850 . . 2 . . . A 88 . . . 6104 1 930 . 1 1 95 95 GLY C C 13 175.409 . . 1 . . . A 88 . . . 6104 1 931 . 1 1 96 96 SER N N 15 116.166 . . 1 . . . A 89 . . . 6104 1 932 . 1 1 96 96 SER H H 1 8.554 . . 1 . . . A 89 . . . 6104 1 933 . 1 1 96 96 SER CA C 13 59.137 . . 1 . . . A 89 . . . 6104 1 934 . 1 1 96 96 SER HA H 1 4.269 . . 1 . . . A 89 . . . 6104 1 935 . 1 1 96 96 SER CB C 13 65.184 . . 1 . . . A 89 . . . 6104 1 936 . 1 1 96 96 SER HB3 H 1 4.049 . . 2 . . . A 89 . . . 6104 1 937 . 1 1 96 96 SER HB2 H 1 4.291 . . 2 . . . A 89 . . . 6104 1 938 . 1 1 96 96 SER C C 13 175.409 . . 1 . . . A 89 . . . 6104 1 939 . 1 1 97 97 GLY N N 15 114.444 . . 1 . . . A 90 . . . 6104 1 940 . 1 1 97 97 GLY H H 1 10.610 . . 1 . . . A 90 . . . 6104 1 941 . 1 1 97 97 GLY CA C 13 44.844 . . 1 . . . A 90 . . . 6104 1 942 . 1 1 97 97 GLY HA3 H 1 4.222 . . 2 . . . A 90 . . . 6104 1 943 . 1 1 97 97 GLY HA2 H 1 3.477 . . 2 . . . A 90 . . . 6104 1 944 . 1 1 97 97 GLY C C 13 172.066 . . 1 . . . A 90 . . . 6104 1 945 . 1 1 98 98 TYR N N 15 113.547 . . 1 . . . A 91 . . . 6104 1 946 . 1 1 98 98 TYR H H 1 7.626 . . 1 . . . A 91 . . . 6104 1 947 . 1 1 98 98 TYR CA C 13 56.007 . . 1 . . . A 91 . . . 6104 1 948 . 1 1 98 98 TYR HA H 1 5.182 . . 1 . . . A 91 . . . 6104 1 949 . 1 1 98 98 TYR CB C 13 42.062 . . 1 . . . A 91 . . . 6104 1 950 . 1 1 98 98 TYR HB3 H 1 2.588 . . 2 . . . A 91 . . . 6104 1 951 . 1 1 98 98 TYR HD1 H 1 6.943 . . 3 . . . A 91 . . . 6104 1 952 . 1 1 98 98 TYR HE1 H 1 6.056 . . 3 . . . A 91 . . . 6104 1 953 . 1 1 98 98 TYR HE2 H 1 6.156 . . 3 . . . A 91 . . . 6104 1 954 . 1 1 98 98 TYR C C 13 175.193 . . 1 . . . A 91 . . . 6104 1 955 . 1 1 99 99 ILE N N 15 128.653 . . 1 . . . A 92 . . . 6104 1 956 . 1 1 99 99 ILE H H 1 10.151 . . 1 . . . A 92 . . . 6104 1 957 . 1 1 99 99 ILE CA C 13 60.204 . . 1 . . . A 92 . . . 6104 1 958 . 1 1 99 99 ILE HA H 1 4.862 . . 1 . . . A 92 . . . 6104 1 959 . 1 1 99 99 ILE CB C 13 39.610 . . 1 . . . A 92 . . . 6104 1 960 . 1 1 99 99 ILE HB H 1 1.711 . . 1 . . . A 92 . . . 6104 1 961 . 1 1 99 99 ILE CG1 C 13 27.338 . . 1 . . . A 92 . . . 6104 1 962 . 1 1 99 99 ILE HG13 H 1 1.126 . . 1 . . . A 92 . . . 6104 1 963 . 1 1 99 99 ILE HG12 H 1 0.179 . . 1 . . . A 92 . . . 6104 1 964 . 1 1 99 99 ILE CD1 C 13 16.148 . . 1 . . . A 92 . . . 6104 1 965 . 1 1 99 99 ILE HD11 H 1 0.179 . . 1 . . . A 92 . . . 6104 1 966 . 1 1 99 99 ILE HD12 H 1 0.179 . . 1 . . . A 92 . . . 6104 1 967 . 1 1 99 99 ILE HD13 H 1 0.179 . . 1 . . . A 92 . . . 6104 1 968 . 1 1 99 99 ILE CG2 C 13 18.938 . . 1 . . . A 92 . . . 6104 1 969 . 1 1 99 99 ILE HG21 H 1 0.786 . . 1 . . . A 92 . . . 6104 1 970 . 1 1 99 99 ILE HG22 H 1 0.786 . . 1 . . . A 92 . . . 6104 1 971 . 1 1 99 99 ILE HG23 H 1 0.786 . . 1 . . . A 92 . . . 6104 1 972 . 1 1 99 99 ILE C C 13 176.281 . . 1 . . . A 92 . . . 6104 1 973 . 1 1 100 100 THR N N 15 117.647 . . 1 . . . A 93 . . . 6104 1 974 . 1 1 100 100 THR H H 1 8.634 . . 1 . . . A 93 . . . 6104 1 975 . 1 1 100 100 THR CA C 13 59.271 . . 1 . . . A 93 . . . 6104 1 976 . 1 1 100 100 THR HA H 1 4.864 . . 1 . . . A 93 . . . 6104 1 977 . 1 1 100 100 THR CB C 13 71.851 . . 1 . . . A 93 . . . 6104 1 978 . 1 1 100 100 THR HB H 1 4.726 . . 1 . . . A 93 . . . 6104 1 979 . 1 1 100 100 THR CG2 C 13 23.142 . . 1 . . . A 93 . . . 6104 1 980 . 1 1 100 100 THR HG21 H 1 1.285 . . 1 . . . A 93 . . . 6104 1 981 . 1 1 100 100 THR HG22 H 1 1.285 . . 1 . . . A 93 . . . 6104 1 982 . 1 1 100 100 THR HG23 H 1 1.285 . . 1 . . . A 93 . . . 6104 1 983 . 1 1 100 100 THR C C 13 176.420 . . 1 . . . A 93 . . . 6104 1 984 . 1 1 101 101 LEU N N 15 122.179 . . 1 . . . A 94 . . . 6104 1 985 . 1 1 101 101 LEU H H 1 9.072 . . 1 . . . A 94 . . . 6104 1 986 . 1 1 101 101 LEU CA C 13 59.486 . . 1 . . . A 94 . . . 6104 1 987 . 1 1 101 101 LEU HA H 1 3.875 . . 1 . . . A 94 . . . 6104 1 988 . 1 1 101 101 LEU CB C 13 41.861 . . 1 . . . A 94 . . . 6104 1 989 . 1 1 101 101 LEU HB3 H 1 1.757 . . 2 . . . A 94 . . . 6104 1 990 . 1 1 101 101 LEU CG C 13 27.568 . . 1 . . . A 94 . . . 6104 1 991 . 1 1 101 101 LEU HG H 1 1.620 . . 1 . . . A 94 . . . 6104 1 992 . 1 1 101 101 LEU CD1 C 13 25.007 . . 1 . . . A 94 . . . 6104 1 993 . 1 1 101 101 LEU HD11 H 1 0.901 . . 2 . . . A 94 . . . 6104 1 994 . 1 1 101 101 LEU HD12 H 1 0.901 . . 2 . . . A 94 . . . 6104 1 995 . 1 1 101 101 LEU HD13 H 1 0.901 . . 2 . . . A 94 . . . 6104 1 996 . 1 1 101 101 LEU CD2 C 13 24.308 . . 1 . . . A 94 . . . 6104 1 997 . 1 1 101 101 LEU HD21 H 1 0.887 . . 2 . . . A 94 . . . 6104 1 998 . 1 1 101 101 LEU HD22 H 1 0.887 . . 2 . . . A 94 . . . 6104 1 999 . 1 1 101 101 LEU HD23 H 1 0.887 . . 2 . . . A 94 . . . 6104 1 1000 . 1 1 101 101 LEU C C 13 178.517 . . 1 . . . A 94 . . . 6104 1 1001 . 1 1 102 102 ASP N N 15 115.705 . . 1 . . . A 95 . . . 6104 1 1002 . 1 1 102 102 ASP H H 1 8.566 . . 1 . . . A 95 . . . 6104 1 1003 . 1 1 102 102 ASP CA C 13 56.940 . . 1 . . . A 95 . . . 6104 1 1004 . 1 1 102 102 ASP HA H 1 4.425 . . 1 . . . A 95 . . . 6104 1 1005 . 1 1 102 102 ASP CB C 13 40.400 . . 1 . . . A 95 . . . 6104 1 1006 . 1 1 102 102 ASP HB3 H 1 2.684 . . 2 . . . A 95 . . . 6104 1 1007 . 1 1 102 102 ASP HB2 H 1 2.584 . . 2 . . . A 95 . . . 6104 1 1008 . 1 1 102 102 ASP C C 13 178.773 . . 1 . . . A 95 . . . 6104 1 1009 . 1 1 103 103 GLU N N 15 119.590 . . 1 . . . A 96 . . . 6104 1 1010 . 1 1 103 103 GLU H H 1 7.533 . . 1 . . . A 96 . . . 6104 1 1011 . 1 1 103 103 GLU CA C 13 59.269 . . 1 . . . A 96 . . . 6104 1 1012 . 1 1 103 103 GLU HA H 1 4.041 . . 1 . . . A 96 . . . 6104 1 1013 . 1 1 103 103 GLU CB C 13 29.194 . . 1 . . . A 96 . . . 6104 1 1014 . 1 1 103 103 GLU HB3 H 1 2.577 . . 2 . . . A 96 . . . 6104 1 1015 . 1 1 103 103 GLU HB2 H 1 2.510 . . 2 . . . A 96 . . . 6104 1 1016 . 1 1 103 103 GLU CG C 13 38.435 . . 1 . . . A 96 . . . 6104 1 1017 . 1 1 103 103 GLU HG3 H 1 2.549 . . 2 . . . A 96 . . . 6104 1 1018 . 1 1 103 103 GLU HG2 H 1 2.315 . . 2 . . . A 96 . . . 6104 1 1019 . 1 1 103 103 GLU C C 13 180.512 . . 1 . . . A 96 . . . 6104 1 1020 . 1 1 104 104 ILE N N 15 121.235 . . 1 . . . A 97 . . . 6104 1 1021 . 1 1 104 104 ILE H H 1 7.966 . . 1 . . . A 97 . . . 6104 1 1022 . 1 1 104 104 ILE CA C 13 65.562 . . 1 . . . A 97 . . . 6104 1 1023 . 1 1 104 104 ILE HA H 1 3.801 . . 1 . . . A 97 . . . 6104 1 1024 . 1 1 104 104 ILE CB C 13 37.756 . . 1 . . . A 97 . . . 6104 1 1025 . 1 1 104 104 ILE HB H 1 1.971 . . 1 . . . A 97 . . . 6104 1 1026 . 1 1 104 104 ILE CG1 C 13 29.203 . . 1 . . . A 97 . . . 6104 1 1027 . 1 1 104 104 ILE HG13 H 1 1.715 . . 1 . . . A 97 . . . 6104 1 1028 . 1 1 104 104 ILE HG12 H 1 0.674 . . 1 . . . A 97 . . . 6104 1 1029 . 1 1 104 104 ILE CD1 C 13 12.880 . . 1 . . . A 97 . . . 6104 1 1030 . 1 1 104 104 ILE HD11 H 1 0.594 . . 1 . . . A 97 . . . 6104 1 1031 . 1 1 104 104 ILE HD12 H 1 0.594 . . 1 . . . A 97 . . . 6104 1 1032 . 1 1 104 104 ILE HD13 H 1 0.594 . . 1 . . . A 97 . . . 6104 1 1033 . 1 1 104 104 ILE CG2 C 13 18.248 . . 1 . . . A 97 . . . 6104 1 1034 . 1 1 104 104 ILE HG21 H 1 0.828 . . 1 . . . A 97 . . . 6104 1 1035 . 1 1 104 104 ILE HG22 H 1 0.828 . . 1 . . . A 97 . . . 6104 1 1036 . 1 1 104 104 ILE HG23 H 1 0.828 . . 1 . . . A 97 . . . 6104 1 1037 . 1 1 104 104 ILE C C 13 177.326 . . 1 . . . A 97 . . . 6104 1 1038 . 1 1 105 105 GLN N N 15 118.761 . . 1 . . . A 98 . . . 6104 1 1039 . 1 1 105 105 GLN H H 1 8.426 . . 1 . . . A 98 . . . 6104 1 1040 . 1 1 105 105 GLN CA C 13 59.264 . . 1 . . . A 98 . . . 6104 1 1041 . 1 1 105 105 GLN HA H 1 3.921 . . 1 . . . A 98 . . . 6104 1 1042 . 1 1 105 105 GLN CB C 13 28.777 . . 1 . . . A 98 . . . 6104 1 1043 . 1 1 105 105 GLN HB3 H 1 2.123 . . 2 . . . A 98 . . . 6104 1 1044 . 1 1 105 105 GLN HB2 H 1 2.227 . . 2 . . . A 98 . . . 6104 1 1045 . 1 1 105 105 GLN CG C 13 34.098 . . 1 . . . A 98 . . . 6104 1 1046 . 1 1 105 105 GLN HG3 H 1 2.527 . . 2 . . . A 98 . . . 6104 1 1047 . 1 1 105 105 GLN HG2 H 1 2.293 . . 2 . . . A 98 . . . 6104 1 1048 . 1 1 105 105 GLN NE2 N 15 111.070 . . 1 . . . A 98 . . . 6104 1 1049 . 1 1 105 105 GLN HE21 H 1 6.774 . . 2 . . . A 98 . . . 6104 1 1050 . 1 1 105 105 GLN HE22 H 1 7.487 . . 2 . . . A 98 . . . 6104 1 1051 . 1 1 105 105 GLN C C 13 178.700 . . 1 . . . A 98 . . . 6104 1 1052 . 1 1 106 106 GLN N N 15 114.924 . . 1 . . . A 99 . . . 6104 1 1053 . 1 1 106 106 GLN H H 1 7.988 . . 1 . . . A 99 . . . 6104 1 1054 . 1 1 106 106 GLN CA C 13 58.323 . . 1 . . . A 99 . . . 6104 1 1055 . 1 1 106 106 GLN HA H 1 4.087 . . 1 . . . A 99 . . . 6104 1 1056 . 1 1 106 106 GLN CB C 13 28.944 . . 1 . . . A 99 . . . 6104 1 1057 . 1 1 106 106 GLN HB3 H 1 2.123 . . 2 . . . A 99 . . . 6104 1 1058 . 1 1 106 106 GLN CG C 13 34.098 . . 1 . . . A 99 . . . 6104 1 1059 . 1 1 106 106 GLN HG3 H 1 2.540 . . 2 . . . A 99 . . . 6104 1 1060 . 1 1 106 106 GLN HG2 H 1 2.489 . . 2 . . . A 99 . . . 6104 1 1061 . 1 1 106 106 GLN HE21 H 1 7.832 . . 2 . . . A 99 . . . 6104 1 1062 . 1 1 106 106 GLN C C 13 178.380 . . 1 . . . A 99 . . . 6104 1 1063 . 1 1 107 107 ALA N N 15 120.008 . . 1 . . . A 100 . . . 6104 1 1064 . 1 1 107 107 ALA H H 1 7.910 . . 1 . . . A 100 . . . 6104 1 1065 . 1 1 107 107 ALA CA C 13 54.427 . . 1 . . . A 100 . . . 6104 1 1066 . 1 1 107 107 ALA HA H 1 4.238 . . 1 . . . A 100 . . . 6104 1 1067 . 1 1 107 107 ALA CB C 13 20.214 . . 1 . . . A 100 . . . 6104 1 1068 . 1 1 107 107 ALA HB1 H 1 1.418 . . 1 . . . A 100 . . . 6104 1 1069 . 1 1 107 107 ALA HB2 H 1 1.418 . . 1 . . . A 100 . . . 6104 1 1070 . 1 1 107 107 ALA HB3 H 1 1.418 . . 1 . . . A 100 . . . 6104 1 1071 . 1 1 108 108 CYS N N 15 111.948 . . 1 . . . A 101 . . . 6104 1 1072 . 1 1 108 108 CYS H H 1 8.134 . . 1 . . . A 101 . . . 6104 1 1073 . 1 1 108 108 CYS CA C 13 53.515 . . 1 . . . A 101 . . . 6104 1 1074 . 1 1 108 108 CYS HA H 1 5.326 . . 1 . . . A 101 . . . 6104 1 1075 . 1 1 108 108 CYS CB C 13 40.010 . . 1 . . . A 101 . . . 6104 1 1076 . 1 1 108 108 CYS HB3 H 1 3.408 . . 2 . . . A 101 . . . 6104 1 1077 . 1 1 108 108 CYS HB2 H 1 2.876 . . 2 . . . A 101 . . . 6104 1 1078 . 1 1 109 109 LYS N N 15 124.316 . . 1 . . . A 102 . . . 6104 1 1079 . 1 1 109 109 LYS H H 1 7.688 . . 1 . . . A 102 . . . 6104 1 1080 . 1 1 109 109 LYS CA C 13 59.795 . . 1 . . . A 102 . . . 6104 1 1081 . 1 1 109 109 LYS CB C 13 32.087 . . 1 . . . A 102 . . . 6104 1 1082 . 1 1 110 110 ASP N N 15 118.084 . . 1 . . . A 103 . . . 6104 1 1083 . 1 1 110 110 ASP H H 1 8.828 . . 1 . . . A 103 . . . 6104 1 1084 . 1 1 110 110 ASP CA C 13 55.833 . . 1 . . . A 103 . . . 6104 1 1085 . 1 1 110 110 ASP HA H 1 4.617 . . 1 . . . A 103 . . . 6104 1 1086 . 1 1 110 110 ASP CB C 13 39.787 . . 1 . . . A 103 . . . 6104 1 1087 . 1 1 110 110 ASP HB3 H 1 2.693 . . 2 . . . A 103 . . . 6104 1 1088 . 1 1 110 110 ASP HB2 H 1 2.498 . . 2 . . . A 103 . . . 6104 1 1089 . 1 1 111 111 PHE N N 15 118.501 . . 1 . . . A 104 . . . 6104 1 1090 . 1 1 111 111 PHE H H 1 7.964 . . 1 . . . A 104 . . . 6104 1 1091 . 1 1 111 111 PHE CA C 13 58.554 . . 1 . . . A 104 . . . 6104 1 1092 . 1 1 111 111 PHE HA H 1 4.470 . . 1 . . . A 104 . . . 6104 1 1093 . 1 1 111 111 PHE CB C 13 39.920 . . 1 . . . A 104 . . . 6104 1 1094 . 1 1 111 111 PHE HB3 H 1 3.131 . . 2 . . . A 104 . . . 6104 1 1095 . 1 1 111 111 PHE HB2 H 1 3.284 . . 2 . . . A 104 . . . 6104 1 1096 . 1 1 111 111 PHE HD1 H 1 7.285 . . 3 . . . A 104 . . . 6104 1 1097 . 1 1 111 111 PHE HE1 H 1 7.365 . . 3 . . . A 104 . . . 6104 1 1098 . 1 1 111 111 PHE HE2 H 1 7.186 . . 3 . . . A 104 . . . 6104 1 1099 . 1 1 112 112 GLY N N 15 107.647 . . 1 . . . A 105 . . . 6104 1 1100 . 1 1 112 112 GLY H H 1 8.048 . . 1 . . . A 105 . . . 6104 1 1101 . 1 1 112 112 GLY CA C 13 46.270 . . 1 . . . A 105 . . . 6104 1 1102 . 1 1 112 112 GLY HA3 H 1 3.942 . . 1 . . . A 105 . . . 6104 1 1103 . 1 1 112 112 GLY HA2 H 1 3.942 . . 1 . . . A 105 . . . 6104 1 1104 . 1 1 113 113 LEU N N 15 120.634 . . 1 . . . A 106 . . . 6104 1 1105 . 1 1 113 113 LEU H H 1 7.931 . . 1 . . . A 106 . . . 6104 1 1106 . 1 1 113 113 LEU CA C 13 54.689 . . 1 . . . A 106 . . . 6104 1 1107 . 1 1 113 113 LEU HA H 1 4.458 . . 1 . . . A 106 . . . 6104 1 1108 . 1 1 113 113 LEU CB C 13 42.498 . . 1 . . . A 106 . . . 6104 1 1109 . 1 1 113 113 LEU HB3 H 1 1.698 . . 2 . . . A 106 . . . 6104 1 1110 . 1 1 113 113 LEU HB2 H 1 1.525 . . 2 . . . A 106 . . . 6104 1 1111 . 1 1 113 113 LEU CD1 C 13 23.840 . . 1 . . . A 106 . . . 6104 1 1112 . 1 1 113 113 LEU HD11 H 1 0.824 . . 2 . . . A 106 . . . 6104 1 1113 . 1 1 113 113 LEU HD12 H 1 0.824 . . 2 . . . A 106 . . . 6104 1 1114 . 1 1 113 113 LEU HD13 H 1 0.824 . . 2 . . . A 106 . . . 6104 1 1115 . 1 1 113 113 LEU CD2 C 13 25.240 . . 1 . . . A 106 . . . 6104 1 1116 . 1 1 113 113 LEU HD21 H 1 0.724 . . 2 . . . A 106 . . . 6104 1 1117 . 1 1 113 113 LEU HD22 H 1 0.724 . . 2 . . . A 106 . . . 6104 1 1118 . 1 1 113 113 LEU HD23 H 1 0.724 . . 2 . . . A 106 . . . 6104 1 1119 . 1 1 114 114 ASP N N 15 121.998 . . 1 . . . A 107 . . . 6104 1 1120 . 1 1 114 114 ASP H H 1 8.648 . . 1 . . . A 107 . . . 6104 1 1121 . 1 1 114 114 ASP CA C 13 54.121 . . 1 . . . A 107 . . . 6104 1 1122 . 1 1 114 114 ASP HA H 1 4.709 . . 1 . . . A 107 . . . 6104 1 1123 . 1 1 114 114 ASP CB C 13 41.780 . . 1 . . . A 107 . . . 6104 1 1124 . 1 1 114 114 ASP HB3 H 1 2.731 . . 2 . . . A 107 . . . 6104 1 1125 . 1 1 115 115 ASP N N 15 120.219 . . 1 . . . A 108 . . . 6104 1 1126 . 1 1 115 115 ASP H H 1 8.414 . . 1 . . . A 108 . . . 6104 1 1127 . 1 1 115 115 ASP CA C 13 57.707 . . 1 . . . A 108 . . . 6104 1 1128 . 1 1 115 115 ASP HA H 1 4.324 . . 1 . . . A 108 . . . 6104 1 1129 . 1 1 115 115 ASP CB C 13 39.690 . . 1 . . . A 108 . . . 6104 1 1130 . 1 1 115 115 ASP HB3 H 1 2.679 . . 2 . . . A 108 . . . 6104 1 1131 . 1 1 115 115 ASP HB2 H 1 3.114 . . 2 . . . A 108 . . . 6104 1 1132 . 1 1 116 116 ILE N N 15 118.214 . . 1 . . . A 109 . . . 6104 1 1133 . 1 1 116 116 ILE H H 1 7.871 . . 1 . . . A 109 . . . 6104 1 1134 . 1 1 116 116 ILE CA C 13 62.292 . . 1 . . . A 109 . . . 6104 1 1135 . 1 1 116 116 ILE HA H 1 4.048 . . 1 . . . A 109 . . . 6104 1 1136 . 1 1 116 116 ILE CB C 13 38.104 . . 1 . . . A 109 . . . 6104 1 1137 . 1 1 116 116 ILE HB H 1 1.877 . . 1 . . . A 109 . . . 6104 1 1138 . 1 1 116 116 ILE CG1 C 13 27.800 . . 1 . . . A 109 . . . 6104 1 1139 . 1 1 116 116 ILE HG13 H 1 1.405 . . 1 . . . A 109 . . . 6104 1 1140 . 1 1 116 116 ILE HG12 H 1 1.171 . . 1 . . . A 109 . . . 6104 1 1141 . 1 1 116 116 ILE CD1 C 13 13.350 . . 1 . . . A 109 . . . 6104 1 1142 . 1 1 116 116 ILE HD11 H 1 0.853 . . 1 . . . A 109 . . . 6104 1 1143 . 1 1 116 116 ILE HD12 H 1 0.853 . . 1 . . . A 109 . . . 6104 1 1144 . 1 1 116 116 ILE HD13 H 1 0.853 . . 1 . . . A 109 . . . 6104 1 1145 . 1 1 116 116 ILE CG2 C 13 17.540 . . 1 . . . A 109 . . . 6104 1 1146 . 1 1 116 116 ILE HG21 H 1 0.805 . . 1 . . . A 109 . . . 6104 1 1147 . 1 1 116 116 ILE HG22 H 1 0.805 . . 1 . . . A 109 . . . 6104 1 1148 . 1 1 116 116 ILE HG23 H 1 0.805 . . 1 . . . A 109 . . . 6104 1 1149 . 1 1 117 117 HIS CA C 13 57.530 . . 1 . . . A 110 . . . 6104 1 1150 . 1 1 117 117 HIS HA H 1 4.643 . . 1 . . . A 110 . . . 6104 1 1151 . 1 1 117 117 HIS CB C 13 30.196 . . 1 . . . A 110 . . . 6104 1 1152 . 1 1 117 117 HIS HB3 H 1 3.092 . . 2 . . . A 110 . . . 6104 1 1153 . 1 1 117 117 HIS HB2 H 1 2.688 . . 2 . . . A 110 . . . 6104 1 1154 . 1 1 117 117 HIS HD2 H 1 6.263 . . 1 . . . A 110 . . . 6104 1 1155 . 1 1 118 118 ILE N N 15 120.902 . . 1 . . . A 111 . . . 6104 1 1156 . 1 1 118 118 ILE H H 1 8.167 . . 1 . . . A 111 . . . 6104 1 1157 . 1 1 118 118 ILE CA C 13 64.273 . . 1 . . . A 111 . . . 6104 1 1158 . 1 1 118 118 ILE HA H 1 3.848 . . 1 . . . A 111 . . . 6104 1 1159 . 1 1 118 118 ILE CB C 13 37.826 . . 1 . . . A 111 . . . 6104 1 1160 . 1 1 118 118 ILE HB H 1 1.921 . . 1 . . . A 111 . . . 6104 1 1161 . 1 1 118 118 ILE CG1 C 13 28.970 . . 1 . . . A 111 . . . 6104 1 1162 . 1 1 118 118 ILE HG13 H 1 1.069 . . 2 . . . A 111 . . . 6104 1 1163 . 1 1 118 118 ILE HG12 H 1 1.714 . . 1 . . . A 111 . . . 6104 1 1164 . 1 1 118 118 ILE CD1 C 13 13.580 . . 1 . . . A 111 . . . 6104 1 1165 . 1 1 118 118 ILE HD11 H 1 0.833 . . 1 . . . A 111 . . . 6104 1 1166 . 1 1 118 118 ILE HD12 H 1 0.833 . . 1 . . . A 111 . . . 6104 1 1167 . 1 1 118 118 ILE HD13 H 1 0.833 . . 1 . . . A 111 . . . 6104 1 1168 . 1 1 118 118 ILE CG2 C 13 18.710 . . 1 . . . A 111 . . . 6104 1 1169 . 1 1 118 118 ILE HG21 H 1 0.952 . . 1 . . . A 111 . . . 6104 1 1170 . 1 1 118 118 ILE HG22 H 1 0.952 . . 1 . . . A 111 . . . 6104 1 1171 . 1 1 118 118 ILE HG23 H 1 0.952 . . 1 . . . A 111 . . . 6104 1 1172 . 1 1 119 119 ASP N N 15 120.090 . . 1 . . . A 112 . . . 6104 1 1173 . 1 1 119 119 ASP H H 1 8.419 . . 1 . . . A 112 . . . 6104 1 1174 . 1 1 119 119 ASP CA C 13 57.587 . . 1 . . . A 112 . . . 6104 1 1175 . 1 1 119 119 ASP HA H 1 4.304 . . 1 . . . A 112 . . . 6104 1 1176 . 1 1 119 119 ASP CB C 13 40.800 . . 1 . . . A 112 . . . 6104 1 1177 . 1 1 119 119 ASP HB3 H 1 2.676 . . 2 . . . A 112 . . . 6104 1 1178 . 1 1 120 120 ASP N N 15 118.540 . . 1 . . . A 113 . . . 6104 1 1179 . 1 1 120 120 ASP H H 1 7.896 . . 1 . . . A 113 . . . 6104 1 1180 . 1 1 120 120 ASP CA C 13 57.600 . . 1 . . . A 113 . . . 6104 1 1181 . 1 1 120 120 ASP HA H 1 4.420 . . 1 . . . A 113 . . . 6104 1 1182 . 1 1 120 120 ASP CB C 13 40.835 . . 1 . . . A 113 . . . 6104 1 1183 . 1 1 120 120 ASP HB3 H 1 2.805 . . 2 . . . A 113 . . . 6104 1 1184 . 1 1 120 120 ASP HB2 H 1 2.676 . . 2 . . . A 113 . . . 6104 1 1185 . 1 1 121 121 MET N N 15 119.648 . . 1 . . . A 114 . . . 6104 1 1186 . 1 1 121 121 MET H H 1 7.905 . . 1 . . . A 114 . . . 6104 1 1187 . 1 1 121 121 MET CA C 13 59.037 . . 1 . . . A 114 . . . 6104 1 1188 . 1 1 121 121 MET HA H 1 4.073 . . 1 . . . A 114 . . . 6104 1 1189 . 1 1 121 121 MET CB C 13 32.970 . . 1 . . . A 114 . . . 6104 1 1190 . 1 1 121 121 MET HB3 H 1 2.221 . . 2 . . . A 114 . . . 6104 1 1191 . 1 1 121 121 MET HB2 H 1 2.088 . . 2 . . . A 114 . . . 6104 1 1192 . 1 1 121 121 MET CG C 13 31.559 . . 1 . . . A 114 . . . 6104 1 1193 . 1 1 121 121 MET HG3 H 1 2.444 . . 2 . . . A 114 . . . 6104 1 1194 . 1 1 121 121 MET HG2 H 1 2.645 . . 2 . . . A 114 . . . 6104 1 1195 . 1 1 121 121 MET CE C 13 17.548 . . 1 . . . A 114 . . . 6104 1 1196 . 1 1 121 121 MET HE1 H 1 1.945 . . 1 . . . A 114 . . . 6104 1 1197 . 1 1 121 121 MET HE2 H 1 1.945 . . 1 . . . A 114 . . . 6104 1 1198 . 1 1 121 121 MET HE3 H 1 1.945 . . 1 . . . A 114 . . . 6104 1 1199 . 1 1 121 121 MET C C 13 178.421 . . 1 . . . A 114 . . . 6104 1 1200 . 1 1 122 122 ILE N N 15 117.863 . . 1 . . . A 115 . . . 6104 1 1201 . 1 1 122 122 ILE H H 1 8.258 . . 1 . . . A 115 . . . 6104 1 1202 . 1 1 122 122 ILE CA C 13 64.839 . . 1 . . . A 115 . . . 6104 1 1203 . 1 1 122 122 ILE HA H 1 3.580 . . 1 . . . A 115 . . . 6104 1 1204 . 1 1 122 122 ILE CB C 13 37.434 . . 1 . . . A 115 . . . 6104 1 1205 . 1 1 122 122 ILE HB H 1 2.018 . . 1 . . . A 115 . . . 6104 1 1206 . 1 1 122 122 ILE CG1 C 13 29.200 . . 1 . . . A 115 . . . 6104 1 1207 . 1 1 122 122 ILE HG13 H 1 1.663 . . 1 . . . A 115 . . . 6104 1 1208 . 1 1 122 122 ILE HG12 H 1 1.063 . . 1 . . . A 115 . . . 6104 1 1209 . 1 1 122 122 ILE CD1 C 13 13.358 . . 1 . . . A 115 . . . 6104 1 1210 . 1 1 122 122 ILE HD11 H 1 0.773 . . 1 . . . A 115 . . . 6104 1 1211 . 1 1 122 122 ILE HD12 H 1 0.773 . . 1 . . . A 115 . . . 6104 1 1212 . 1 1 122 122 ILE HD13 H 1 0.773 . . 1 . . . A 115 . . . 6104 1 1213 . 1 1 122 122 ILE CG2 C 13 17.078 . . 1 . . . A 115 . . . 6104 1 1214 . 1 1 122 122 ILE HG21 H 1 0.832 . . 1 . . . A 115 . . . 6104 1 1215 . 1 1 122 122 ILE HG22 H 1 0.832 . . 1 . . . A 115 . . . 6104 1 1216 . 1 1 122 122 ILE HG23 H 1 0.832 . . 1 . . . A 115 . . . 6104 1 1217 . 1 1 122 122 ILE C C 13 177.311 . . 1 . . . A 115 . . . 6104 1 1218 . 1 1 123 123 LYS N N 15 118.169 . . 1 . . . A 116 . . . 6104 1 1219 . 1 1 123 123 LYS H H 1 7.736 . . 1 . . . A 116 . . . 6104 1 1220 . 1 1 123 123 LYS CA C 13 59.071 . . 1 . . . A 116 . . . 6104 1 1221 . 1 1 123 123 LYS HA H 1 4.117 . . 1 . . . A 116 . . . 6104 1 1222 . 1 1 123 123 LYS CB C 13 32.077 . . 1 . . . A 116 . . . 6104 1 1223 . 1 1 123 123 LYS HB3 H 1 1.937 . . 2 . . . A 116 . . . 6104 1 1224 . 1 1 123 123 LYS CG C 13 25.710 . . 1 . . . A 116 . . . 6104 1 1225 . 1 1 123 123 LYS HG3 H 1 1.520 . . 2 . . . A 116 . . . 6104 1 1226 . 1 1 123 123 LYS HG2 H 1 1.650 . . 2 . . . A 116 . . . 6104 1 1227 . 1 1 123 123 LYS CD C 13 29.285 . . 1 . . . A 116 . . . 6104 1 1228 . 1 1 123 123 LYS HD2 H 1 1.663 . . 2 . . . A 116 . . . 6104 1 1229 . 1 1 123 123 LYS CE C 13 42.476 . . 1 . . . A 116 . . . 6104 1 1230 . 1 1 123 123 LYS HE2 H 1 3.029 . . 2 . . . A 116 . . . 6104 1 1231 . 1 1 123 123 LYS C C 13 178.554 . . 1 . . . A 116 . . . 6104 1 1232 . 1 1 124 124 GLU N N 15 115.900 . . 1 . . . A 117 . . . 6104 1 1233 . 1 1 124 124 GLU H H 1 7.507 . . 1 . . . A 117 . . . 6104 1 1234 . 1 1 124 124 GLU CA C 13 57.873 . . 1 . . . A 117 . . . 6104 1 1235 . 1 1 124 124 GLU HA H 1 4.158 . . 1 . . . A 117 . . . 6104 1 1236 . 1 1 124 124 GLU CB C 13 30.169 . . 1 . . . A 117 . . . 6104 1 1237 . 1 1 124 124 GLU HB3 H 1 2.127 . . 2 . . . A 117 . . . 6104 1 1238 . 1 1 124 124 GLU CG C 13 35.805 . . 1 . . . A 117 . . . 6104 1 1239 . 1 1 124 124 GLU HG3 H 1 2.341 . . 2 . . . A 117 . . . 6104 1 1240 . 1 1 124 124 GLU HG2 H 1 2.287 . . 2 . . . A 117 . . . 6104 1 1241 . 1 1 124 124 GLU C C 13 177.648 . . 1 . . . A 117 . . . 6104 1 1242 . 1 1 125 125 ILE N N 15 114.842 . . 1 . . . A 118 . . . 6104 1 1243 . 1 1 125 125 ILE H H 1 7.529 . . 1 . . . A 118 . . . 6104 1 1244 . 1 1 125 125 ILE CA C 13 61.670 . . 1 . . . A 118 . . . 6104 1 1245 . 1 1 125 125 ILE HA H 1 4.106 . . 1 . . . A 118 . . . 6104 1 1246 . 1 1 125 125 ILE CB C 13 39.921 . . 1 . . . A 118 . . . 6104 1 1247 . 1 1 125 125 ILE HB H 1 1.837 . . 1 . . . A 118 . . . 6104 1 1248 . 1 1 125 125 ILE CG1 C 13 27.809 . . 1 . . . A 118 . . . 6104 1 1249 . 1 1 125 125 ILE HG13 H 1 1.156 . . 1 . . . A 118 . . . 6104 1 1250 . 1 1 125 125 ILE HG12 H 1 1.668 . . 1 . . . A 118 . . . 6104 1 1251 . 1 1 125 125 ILE CD1 C 13 14.288 . . 1 . . . A 118 . . . 6104 1 1252 . 1 1 125 125 ILE HD11 H 1 0.754 . . 1 . . . A 118 . . . 6104 1 1253 . 1 1 125 125 ILE HD12 H 1 0.754 . . 1 . . . A 118 . . . 6104 1 1254 . 1 1 125 125 ILE HD13 H 1 0.754 . . 1 . . . A 118 . . . 6104 1 1255 . 1 1 125 125 ILE CG2 C 13 19.418 . . 1 . . . A 118 . . . 6104 1 1256 . 1 1 125 125 ILE HG21 H 1 0.917 . . 1 . . . A 118 . . . 6104 1 1257 . 1 1 125 125 ILE HG22 H 1 0.917 . . 1 . . . A 118 . . . 6104 1 1258 . 1 1 125 125 ILE HG23 H 1 0.917 . . 1 . . . A 118 . . . 6104 1 1259 . 1 1 125 125 ILE C C 13 176.625 . . 1 . . . A 118 . . . 6104 1 1260 . 1 1 126 126 ASP N N 15 120.453 . . 1 . . . A 119 . . . 6104 1 1261 . 1 1 126 126 ASP H H 1 8.176 . . 1 . . . A 119 . . . 6104 1 1262 . 1 1 126 126 ASP CA C 13 54.422 . . 1 . . . A 119 . . . 6104 1 1263 . 1 1 126 126 ASP HA H 1 4.422 . . 1 . . . A 119 . . . 6104 1 1264 . 1 1 126 126 ASP CB C 13 40.569 . . 1 . . . A 119 . . . 6104 1 1265 . 1 1 126 126 ASP HB3 H 1 2.898 . . 2 . . . A 119 . . . 6104 1 1266 . 1 1 126 126 ASP HB2 H 1 2.497 . . 2 . . . A 119 . . . 6104 1 1267 . 1 1 126 126 ASP C C 13 176.563 . . 1 . . . A 119 . . . 6104 1 1268 . 1 1 127 127 GLN N N 15 126.064 . . 1 . . . A 120 . . . 6104 1 1269 . 1 1 127 127 GLN H H 1 8.629 . . 1 . . . A 120 . . . 6104 1 1270 . 1 1 127 127 GLN CA C 13 57.357 . . 1 . . . A 120 . . . 6104 1 1271 . 1 1 127 127 GLN HA H 1 4.334 . . 1 . . . A 120 . . . 6104 1 1272 . 1 1 127 127 GLN CB C 13 30.139 . . 1 . . . A 120 . . . 6104 1 1273 . 1 1 127 127 GLN HB3 H 1 2.294 . . 2 . . . A 120 . . . 6104 1 1274 . 1 1 127 127 GLN HB2 H 1 2.086 . . 2 . . . A 120 . . . 6104 1 1275 . 1 1 127 127 GLN CG C 13 34.097 . . 1 . . . A 120 . . . 6104 1 1276 . 1 1 127 127 GLN HG3 H 1 2.574 . . 2 . . . A 120 . . . 6104 1 1277 . 1 1 127 127 GLN HG2 H 1 2.494 . . 2 . . . A 120 . . . 6104 1 1278 . 1 1 127 127 GLN NE2 N 15 111.940 . . 1 . . . A 120 . . . 6104 1 1279 . 1 1 127 127 GLN HE21 H 1 7.497 . . 2 . . . A 120 . . . 6104 1 1280 . 1 1 127 127 GLN HE22 H 1 6.725 . . 2 . . . A 120 . . . 6104 1 1281 . 1 1 127 127 GLN C C 13 176.962 . . 1 . . . A 120 . . . 6104 1 1282 . 1 1 128 128 ASP N N 15 115.968 . . 1 . . . A 121 . . . 6104 1 1283 . 1 1 128 128 ASP H H 1 8.159 . . 1 . . . A 121 . . . 6104 1 1284 . 1 1 128 128 ASP CA C 13 52.997 . . 1 . . . A 121 . . . 6104 1 1285 . 1 1 128 128 ASP HA H 1 4.698 . . 1 . . . A 121 . . . 6104 1 1286 . 1 1 128 128 ASP CB C 13 39.732 . . 1 . . . A 121 . . . 6104 1 1287 . 1 1 128 128 ASP HB3 H 1 2.568 . . 2 . . . A 121 . . . 6104 1 1288 . 1 1 128 128 ASP HB2 H 1 3.083 . . 2 . . . A 121 . . . 6104 1 1289 . 1 1 128 128 ASP C C 13 176.479 . . 1 . . . A 121 . . . 6104 1 1290 . 1 1 129 129 ASN N N 15 114.410 . . 1 . . . A 122 . . . 6104 1 1291 . 1 1 129 129 ASN H H 1 7.733 . . 1 . . . A 122 . . . 6104 1 1292 . 1 1 129 129 ASN CA C 13 55.114 . . 1 . . . A 122 . . . 6104 1 1293 . 1 1 129 129 ASN HA H 1 4.418 . . 1 . . . A 122 . . . 6104 1 1294 . 1 1 129 129 ASN CB C 13 37.778 . . 1 . . . A 122 . . . 6104 1 1295 . 1 1 129 129 ASN HB3 H 1 3.079 . . 2 . . . A 122 . . . 6104 1 1296 . 1 1 129 129 ASN HB2 H 1 2.703 . . 2 . . . A 122 . . . 6104 1 1297 . 1 1 129 129 ASN ND2 N 15 112.520 . . 1 . . . A 122 . . . 6104 1 1298 . 1 1 129 129 ASN HD21 H 1 6.705 . . 2 . . . A 122 . . . 6104 1 1299 . 1 1 129 129 ASN HD22 H 1 7.456 . . 2 . . . A 122 . . . 6104 1 1300 . 1 1 129 129 ASN C C 13 174.673 . . 1 . . . A 122 . . . 6104 1 1301 . 1 1 130 130 ASP N N 15 117.898 . . 1 . . . A 123 . . . 6104 1 1302 . 1 1 130 130 ASP H H 1 8.451 . . 1 . . . A 123 . . . 6104 1 1303 . 1 1 130 130 ASP CA C 13 53.412 . . 1 . . . A 123 . . . 6104 1 1304 . 1 1 130 130 ASP HA H 1 4.650 . . 1 . . . A 123 . . . 6104 1 1305 . 1 1 130 130 ASP CB C 13 40.783 . . 1 . . . A 123 . . . 6104 1 1306 . 1 1 130 130 ASP HB3 H 1 2.919 . . 2 . . . A 123 . . . 6104 1 1307 . 1 1 130 130 ASP HB2 H 1 2.458 . . 2 . . . A 123 . . . 6104 1 1308 . 1 1 130 130 ASP C C 13 178.261 . . 1 . . . A 123 . . . 6104 1 1309 . 1 1 131 131 GLY N N 15 112.625 . . 1 . . . A 124 . . . 6104 1 1310 . 1 1 131 131 GLY H H 1 10.218 . . 1 . . . A 124 . . . 6104 1 1311 . 1 1 131 131 GLY CA C 13 45.970 . . 1 . . . A 124 . . . 6104 1 1312 . 1 1 131 131 GLY HA3 H 1 4.039 . . 2 . . . A 124 . . . 6104 1 1313 . 1 1 131 131 GLY HA2 H 1 3.457 . . 2 . . . A 124 . . . 6104 1 1314 . 1 1 131 131 GLY C C 13 172.738 . . 1 . . . A 124 . . . 6104 1 1315 . 1 1 132 132 GLN N N 15 115.294 . . 1 . . . A 125 . . . 6104 1 1316 . 1 1 132 132 GLN H H 1 8.012 . . 1 . . . A 125 . . . 6104 1 1317 . 1 1 132 132 GLN CA C 13 52.978 . . 1 . . . A 125 . . . 6104 1 1318 . 1 1 132 132 GLN HA H 1 4.857 . . 1 . . . A 125 . . . 6104 1 1319 . 1 1 132 132 GLN CB C 13 31.768 . . 1 . . . A 125 . . . 6104 1 1320 . 1 1 132 132 GLN HB3 H 1 1.879 . . 2 . . . A 125 . . . 6104 1 1321 . 1 1 132 132 GLN HB2 H 1 1.818 . . 2 . . . A 125 . . . 6104 1 1322 . 1 1 132 132 GLN CG C 13 32.930 . . 1 . . . A 125 . . . 6104 1 1323 . 1 1 132 132 GLN HG3 H 1 2.033 . . 2 . . . A 125 . . . 6104 1 1324 . 1 1 132 132 GLN HG2 H 1 1.913 . . 2 . . . A 125 . . . 6104 1 1325 . 1 1 132 132 GLN NE2 N 15 107.600 . . 1 . . . A 125 . . . 6104 1 1326 . 1 1 132 132 GLN HE21 H 1 6.316 . . 2 . . . A 125 . . . 6104 1 1327 . 1 1 132 132 GLN HE22 H 1 5.778 . . 2 . . . A 125 . . . 6104 1 1328 . 1 1 132 132 GLN C C 13 174.517 . . 1 . . . A 125 . . . 6104 1 1329 . 1 1 133 133 ILE N N 15 124.406 . . 1 . . . A 126 . . . 6104 1 1330 . 1 1 133 133 ILE H H 1 9.183 . . 1 . . . A 126 . . . 6104 1 1331 . 1 1 133 133 ILE CA C 13 59.447 . . 1 . . . A 126 . . . 6104 1 1332 . 1 1 133 133 ILE HA H 1 5.261 . . 1 . . . A 126 . . . 6104 1 1333 . 1 1 133 133 ILE CB C 13 39.677 . . 1 . . . A 126 . . . 6104 1 1334 . 1 1 133 133 ILE HB H 1 2.104 . . 1 . . . A 126 . . . 6104 1 1335 . 1 1 133 133 ILE CG1 C 13 27.108 . . 1 . . . A 126 . . . 6104 1 1336 . 1 1 133 133 ILE HG13 H 1 1.391 . . 2 . . . A 126 . . . 6104 1 1337 . 1 1 133 133 ILE HG12 H 1 1.014 . . 2 . . . A 126 . . . 6104 1 1338 . 1 1 133 133 ILE CD1 C 13 13.363 . . 1 . . . A 126 . . . 6104 1 1339 . 1 1 133 133 ILE HD11 H 1 0.746 . . 1 . . . A 126 . . . 6104 1 1340 . 1 1 133 133 ILE HD12 H 1 0.746 . . 1 . . . A 126 . . . 6104 1 1341 . 1 1 133 133 ILE HD13 H 1 0.746 . . 1 . . . A 126 . . . 6104 1 1342 . 1 1 133 133 ILE CG2 C 13 18.718 . . 1 . . . A 126 . . . 6104 1 1343 . 1 1 133 133 ILE HG21 H 1 1.210 . . 1 . . . A 126 . . . 6104 1 1344 . 1 1 133 133 ILE HG22 H 1 1.210 . . 1 . . . A 126 . . . 6104 1 1345 . 1 1 133 133 ILE HG23 H 1 1.210 . . 1 . . . A 126 . . . 6104 1 1346 . 1 1 133 133 ILE C C 13 175.923 . . 1 . . . A 126 . . . 6104 1 1347 . 1 1 134 134 ASP N N 15 129.128 . . 1 . . . A 127 . . . 6104 1 1348 . 1 1 134 134 ASP H H 1 9.430 . . 1 . . . A 127 . . . 6104 1 1349 . 1 1 134 134 ASP CA C 13 52.255 . . 1 . . . A 127 . . . 6104 1 1350 . 1 1 134 134 ASP HA H 1 5.259 . . 1 . . . A 127 . . . 6104 1 1351 . 1 1 134 134 ASP CB C 13 41.816 . . 1 . . . A 127 . . . 6104 1 1352 . 1 1 134 134 ASP HB3 H 1 3.177 . . 2 . . . A 127 . . . 6104 1 1353 . 1 1 134 134 ASP HB2 H 1 2.982 . . 2 . . . A 127 . . . 6104 1 1354 . 1 1 134 134 ASP C C 13 176.036 . . 1 . . . A 127 . . . 6104 1 1355 . 1 1 135 135 TYR N N 15 118.511 . . 1 . . . A 128 . . . 6104 1 1356 . 1 1 135 135 TYR H H 1 8.533 . . 1 . . . A 128 . . . 6104 1 1357 . 1 1 135 135 TYR CA C 13 62.378 . . 1 . . . A 128 . . . 6104 1 1358 . 1 1 135 135 TYR HA H 1 3.476 . . 1 . . . A 128 . . . 6104 1 1359 . 1 1 135 135 TYR CB C 13 37.984 . . 1 . . . A 128 . . . 6104 1 1360 . 1 1 135 135 TYR HB3 H 1 2.451 . . 2 . . . A 128 . . . 6104 1 1361 . 1 1 135 135 TYR HB2 H 1 2.097 . . 2 . . . A 128 . . . 6104 1 1362 . 1 1 135 135 TYR HD1 H 1 6.434 . . 3 . . . A 128 . . . 6104 1 1363 . 1 1 135 135 TYR C C 13 177.250 . . 1 . . . A 128 . . . 6104 1 1364 . 1 1 136 136 GLY N N 15 106.159 . . 1 . . . A 129 . . . 6104 1 1365 . 1 1 136 136 GLY H H 1 8.241 . . 1 . . . A 129 . . . 6104 1 1366 . 1 1 136 136 GLY CA C 13 46.906 . . 1 . . . A 129 . . . 6104 1 1367 . 1 1 136 136 GLY HA3 H 1 3.643 . . 2 . . . A 129 . . . 6104 1 1368 . 1 1 136 136 GLY HA2 H 1 3.955 . . 2 . . . A 129 . . . 6104 1 1369 . 1 1 136 136 GLY C C 13 178.121 . . 1 . . . A 129 . . . 6104 1 1370 . 1 1 137 137 GLU N N 15 123.874 . . 1 . . . A 130 . . . 6104 1 1371 . 1 1 137 137 GLU H H 1 8.629 . . 1 . . . A 130 . . . 6104 1 1372 . 1 1 137 137 GLU CA C 13 58.417 . . 1 . . . A 130 . . . 6104 1 1373 . 1 1 137 137 GLU HA H 1 4.091 . . 1 . . . A 130 . . . 6104 1 1374 . 1 1 137 137 GLU CB C 13 29.996 . . 1 . . . A 130 . . . 6104 1 1375 . 1 1 137 137 GLU HB3 H 1 2.616 . . 2 . . . A 130 . . . 6104 1 1376 . 1 1 137 137 GLU HB2 H 1 2.061 . . 2 . . . A 130 . . . 6104 1 1377 . 1 1 137 137 GLU CG C 13 37.130 . . 1 . . . A 130 . . . 6104 1 1378 . 1 1 137 137 GLU HG3 H 1 2.349 . . 2 . . . A 130 . . . 6104 1 1379 . 1 1 137 137 GLU HG2 H 1 2.924 . . 2 . . . A 130 . . . 6104 1 1380 . 1 1 137 137 GLU C C 13 179.452 . . 1 . . . A 130 . . . 6104 1 1381 . 1 1 138 138 PHE N N 15 122.611 . . 1 . . . A 131 . . . 6104 1 1382 . 1 1 138 138 PHE H H 1 8.775 . . 1 . . . A 131 . . . 6104 1 1383 . 1 1 138 138 PHE CA C 13 61.335 . . 1 . . . A 131 . . . 6104 1 1384 . 1 1 138 138 PHE HA H 1 3.928 . . 1 . . . A 131 . . . 6104 1 1385 . 1 1 138 138 PHE CB C 13 40.321 . . 1 . . . A 131 . . . 6104 1 1386 . 1 1 138 138 PHE HB3 H 1 3.338 . . 2 . . . A 131 . . . 6104 1 1387 . 1 1 138 138 PHE HB2 H 1 3.181 . . 2 . . . A 131 . . . 6104 1 1388 . 1 1 138 138 PHE HD1 H 1 6.966 . . 3 . . . A 131 . . . 6104 1 1389 . 1 1 138 138 PHE HE1 H 1 7.047 . . 3 . . . A 131 . . . 6104 1 1390 . 1 1 138 138 PHE C C 13 176.717 . . 1 . . . A 131 . . . 6104 1 1391 . 1 1 139 139 ALA N N 15 121.290 . . 1 . . . A 132 . . . 6104 1 1392 . 1 1 139 139 ALA H H 1 8.964 . . 1 . . . A 132 . . . 6104 1 1393 . 1 1 139 139 ALA CA C 13 55.206 . . 1 . . . A 132 . . . 6104 1 1394 . 1 1 139 139 ALA HA H 1 3.686 . . 1 . . . A 132 . . . 6104 1 1395 . 1 1 139 139 ALA CB C 13 17.778 . . 1 . . . A 132 . . . 6104 1 1396 . 1 1 139 139 ALA HB1 H 1 1.163 . . 1 . . . A 132 . . . 6104 1 1397 . 1 1 139 139 ALA HB2 H 1 1.163 . . 1 . . . A 132 . . . 6104 1 1398 . 1 1 139 139 ALA HB3 H 1 1.163 . . 1 . . . A 132 . . . 6104 1 1399 . 1 1 139 139 ALA C C 13 179.886 . . 1 . . . A 132 . . . 6104 1 1400 . 1 1 140 140 ALA N N 15 118.560 . . 1 . . . A 133 . . . 6104 1 1401 . 1 1 140 140 ALA H H 1 7.686 . . 1 . . . A 133 . . . 6104 1 1402 . 1 1 140 140 ALA CA C 13 54.889 . . 1 . . . A 133 . . . 6104 1 1403 . 1 1 140 140 ALA HA H 1 4.021 . . 1 . . . A 133 . . . 6104 1 1404 . 1 1 140 140 ALA CB C 13 18.155 . . 1 . . . A 133 . . . 6104 1 1405 . 1 1 140 140 ALA HB1 H 1 1.476 . . 1 . . . A 133 . . . 6104 1 1406 . 1 1 140 140 ALA HB2 H 1 1.476 . . 1 . . . A 133 . . . 6104 1 1407 . 1 1 140 140 ALA HB3 H 1 1.476 . . 1 . . . A 133 . . . 6104 1 1408 . 1 1 140 140 ALA C C 13 180.398 . . 1 . . . A 133 . . . 6104 1 1409 . 1 1 141 141 MET N N 15 117.863 . . 1 . . . A 134 . . . 6104 1 1410 . 1 1 141 141 MET H H 1 7.485 . . 1 . . . A 134 . . . 6104 1 1411 . 1 1 141 141 MET CA C 13 57.800 . . 1 . . . A 134 . . . 6104 1 1412 . 1 1 141 141 MET HA H 1 4.049 . . 1 . . . A 134 . . . 6104 1 1413 . 1 1 141 141 MET CB C 13 31.760 . . 1 . . . A 134 . . . 6104 1 1414 . 1 1 141 141 MET HB3 H 1 2.166 . . 2 . . . A 134 . . . 6104 1 1415 . 1 1 141 141 MET HB2 H 1 2.014 . . 2 . . . A 134 . . . 6104 1 1416 . 1 1 141 141 MET CG C 13 31.770 . . 1 . . . A 134 . . . 6104 1 1417 . 1 1 141 141 MET HG3 H 1 2.341 . . 2 . . . A 134 . . . 6104 1 1418 . 1 1 141 141 MET HG2 H 1 2.428 . . 2 . . . A 134 . . . 6104 1 1419 . 1 1 141 141 MET CE C 13 17.080 . . 1 . . . A 134 . . . 6104 1 1420 . 1 1 141 141 MET HE1 H 1 1.648 . . 1 . . . A 134 . . . 6104 1 1421 . 1 1 141 141 MET HE2 H 1 1.648 . . 1 . . . A 134 . . . 6104 1 1422 . 1 1 141 141 MET HE3 H 1 1.648 . . 1 . . . A 134 . . . 6104 1 1423 . 1 1 141 141 MET C C 13 177.932 . . 1 . . . A 134 . . . 6104 1 1424 . 1 1 142 142 MET CE C 13 17.100 . . 1 . . . A 135 . . . 6104 1 1425 . 1 1 142 142 MET HE1 H 1 1.841 . . 1 . . . A 135 . . . 6104 1 1426 . 1 1 142 142 MET HE2 H 1 1.841 . . 1 . . . A 135 . . . 6104 1 1427 . 1 1 142 142 MET HE3 H 1 1.841 . . 1 . . . A 135 . . . 6104 1 1428 . 1 1 143 143 ARG CA C 13 57.170 . . 1 . . . A 136 . . . 6104 1 1429 . 1 1 143 143 ARG HA H 1 4.232 . . 1 . . . A 136 . . . 6104 1 1430 . 1 1 143 143 ARG CB C 13 30.600 . . 1 . . . A 136 . . . 6104 1 1431 . 1 1 143 143 ARG HB3 H 1 1.822 . . 2 . . . A 136 . . . 6104 1 1432 . 1 1 143 143 ARG HB2 H 1 1.912 . . 2 . . . A 136 . . . 6104 1 1433 . 1 1 143 143 ARG CG C 13 27.100 . . 1 . . . A 136 . . . 6104 1 1434 . 1 1 143 143 ARG HG2 H 1 1.602 . . 2 . . . A 136 . . . 6104 1 1435 . 1 1 143 143 ARG HD2 H 1 3.187 . . 2 . . . A 136 . . . 6104 1 1436 . 1 1 144 144 LYS H H 1 7.724 . . 1 . . . A 137 . . . 6104 1 1437 . 1 1 144 144 LYS CA C 13 55.700 . . 1 . . . A 137 . . . 6104 1 1438 . 1 1 144 144 LYS HA H 1 4.200 . . 1 . . . A 137 . . . 6104 1 1439 . 1 1 144 144 LYS CB C 13 32.760 . . 1 . . . A 137 . . . 6104 1 1440 . 1 1 144 144 LYS HB3 H 1 1.880 . . 2 . . . A 137 . . . 6104 1 1441 . 1 1 144 144 LYS CG C 13 24.700 . . 1 . . . A 137 . . . 6104 1 1442 . 1 1 144 144 LYS HG3 H 1 1.463 . . 2 . . . A 137 . . . 6104 1 1443 . 1 1 144 144 LYS HE2 H 1 2.989 . . 2 . . . A 137 . . . 6104 1 1444 . 1 1 146 146 LYS N N 15 120.311 . . 1 . . . A 139 . . . 6104 1 1445 . 1 1 146 146 LYS H H 1 7.610 . . 1 . . . A 139 . . . 6104 1 1446 . 1 1 146 146 LYS CA C 13 57.250 . . 1 . . . A 139 . . . 6104 1 1447 . 1 1 146 146 LYS CB C 13 32.377 . . 1 . . . A 139 . . . 6104 1 1448 . 1 1 147 147 GLY N N 15 109.595 . . 1 . . . A 140 . . . 6104 1 1449 . 1 1 147 147 GLY H H 1 8.222 . . 1 . . . A 140 . . . 6104 1 1450 . 1 1 147 147 GLY CA C 13 45.387 . . 1 . . . A 140 . . . 6104 1 1451 . 1 1 147 147 GLY HA3 H 1 3.860 . . 2 . . . A 140 . . . 6104 1 1452 . 1 1 147 147 GLY HA2 H 1 4.038 . . 2 . . . A 140 . . . 6104 1 1453 . 1 1 148 148 ASN N N 15 124.090 . . 1 . . . A 141 . . . 6104 1 1454 . 1 1 148 148 ASN H H 1 7.838 . . 1 . . . A 141 . . . 6104 1 1455 . 1 1 148 148 ASN CA C 13 55.067 . . 1 . . . A 141 . . . 6104 1 1456 . 1 1 148 148 ASN HA H 1 4.565 . . 1 . . . A 141 . . . 6104 1 1457 . 1 1 148 148 ASN CB C 13 41.393 . . 1 . . . A 141 . . . 6104 1 1458 . 1 1 148 148 ASN HB3 H 1 2.696 . . 2 . . . A 141 . . . 6104 1 1459 . 1 1 148 148 ASN HB2 H 1 2.801 . . 2 . . . A 141 . . . 6104 1 1460 . 1 1 149 149 GLY N N 15 113.845 . . 1 . . . A 142 . . . 6104 1 1461 . 1 1 149 149 GLY H H 1 8.286 . . 1 . . . A 142 . . . 6104 1 1462 . 1 1 149 149 GLY CA C 13 45.547 . . 1 . . . A 142 . . . 6104 1 1463 . 1 1 149 149 GLY HA3 H 1 3.951 . . 2 . . . A 142 . . . 6104 1 1464 . 1 1 149 149 GLY C C 13 175.084 . . 1 . . . A 142 . . . 6104 1 1465 . 1 1 150 150 GLY N N 15 108.613 . . 1 . . . A 143 . . . 6104 1 1466 . 1 1 150 150 GLY H H 1 8.380 . . 1 . . . A 143 . . . 6104 1 1467 . 1 1 150 150 GLY CA C 13 45.638 . . 1 . . . A 143 . . . 6104 1 1468 . 1 1 150 150 GLY HA3 H 1 3.983 . . 2 . . . A 143 . . . 6104 1 1469 . 1 1 150 150 GLY C C 13 174.319 . . 1 . . . A 143 . . . 6104 1 1470 . 1 1 151 151 ILE N N 15 119.158 . . 1 . . . A 144 . . . 6104 1 1471 . 1 1 151 151 ILE H H 1 7.959 . . 1 . . . A 144 . . . 6104 1 1472 . 1 1 151 151 ILE CA C 13 61.362 . . 1 . . . A 144 . . . 6104 1 1473 . 1 1 151 151 ILE HA H 1 4.178 . . 1 . . . A 144 . . . 6104 1 1474 . 1 1 151 151 ILE CB C 13 38.560 . . 1 . . . A 144 . . . 6104 1 1475 . 1 1 151 151 ILE HB H 1 1.903 . . 1 . . . A 144 . . . 6104 1 1476 . 1 1 151 151 ILE CG1 C 13 27.338 . . 1 . . . A 144 . . . 6104 1 1477 . 1 1 151 151 ILE HG13 H 1 1.193 . . 1 . . . A 144 . . . 6104 1 1478 . 1 1 151 151 ILE HG12 H 1 1.481 . . 1 . . . A 144 . . . 6104 1 1479 . 1 1 151 151 ILE CD1 C 13 13.353 . . 1 . . . A 144 . . . 6104 1 1480 . 1 1 151 151 ILE HD11 H 1 0.847 . . 1 . . . A 144 . . . 6104 1 1481 . 1 1 151 151 ILE HD12 H 1 0.847 . . 1 . . . A 144 . . . 6104 1 1482 . 1 1 151 151 ILE HD13 H 1 0.847 . . 1 . . . A 144 . . . 6104 1 1483 . 1 1 151 151 ILE CG2 C 13 17.306 . . 1 . . . A 144 . . . 6104 1 1484 . 1 1 151 151 ILE HG21 H 1 0.916 . . 1 . . . A 144 . . . 6104 1 1485 . 1 1 151 151 ILE HG22 H 1 0.916 . . 1 . . . A 144 . . . 6104 1 1486 . 1 1 151 151 ILE HG23 H 1 0.916 . . 1 . . . A 144 . . . 6104 1 1487 . 1 1 151 151 ILE C C 13 176.808 . . 1 . . . A 144 . . . 6104 1 1488 . 1 1 152 152 GLY N N 15 111.826 . . 1 . . . A 145 . . . 6104 1 1489 . 1 1 152 152 GLY H H 1 8.468 . . 1 . . . A 145 . . . 6104 1 1490 . 1 1 152 152 GLY CA C 13 45.442 . . 1 . . . A 145 . . . 6104 1 1491 . 1 1 152 152 GLY HA3 H 1 3.957 . . 2 . . . A 145 . . . 6104 1 1492 . 1 1 152 152 GLY C C 13 173.882 . . 1 . . . A 145 . . . 6104 1 1493 . 1 1 153 153 ARG N N 15 120.752 . . 1 . . . A 146 . . . 6104 1 1494 . 1 1 153 153 ARG H H 1 8.062 . . 1 . . . A 146 . . . 6104 1 1495 . 1 1 153 153 ARG CA C 13 56.148 . . 1 . . . A 146 . . . 6104 1 1496 . 1 1 153 153 ARG HA H 1 4.357 . . 1 . . . A 146 . . . 6104 1 1497 . 1 1 153 153 ARG CB C 13 30.539 . . 1 . . . A 146 . . . 6104 1 1498 . 1 1 153 153 ARG HB3 H 1 1.873 . . 2 . . . A 146 . . . 6104 1 1499 . 1 1 153 153 ARG HB2 H 1 1.740 . . 2 . . . A 146 . . . 6104 1 1500 . 1 1 153 153 ARG CG C 13 26.605 . . 1 . . . A 146 . . . 6104 1 1501 . 1 1 153 153 ARG HG2 H 1 1.621 . . 2 . . . A 146 . . . 6104 1 1502 . 1 1 153 153 ARG CD C 13 45.418 . . 1 . . . A 146 . . . 6104 1 1503 . 1 1 153 153 ARG HD2 H 1 3.191 . . 2 . . . A 146 . . . 6104 1 1504 . 1 1 154 154 ARG N N 15 127.518 . . 1 . . . A 147 . . . 6104 1 1505 . 1 1 154 154 ARG H H 1 7.975 . . 1 . . . A 147 . . . 6104 1 1506 . 1 1 154 154 ARG CA C 13 57.587 . . 1 . . . A 147 . . . 6104 1 1507 . 1 1 154 154 ARG HA H 1 4.431 . . 1 . . . A 147 . . . 6104 1 1508 . 1 1 154 154 ARG CB C 13 31.070 . . 1 . . . A 147 . . . 6104 1 1509 . 1 1 154 154 ARG HB3 H 1 1.883 . . 2 . . . A 147 . . . 6104 1 1510 . 1 1 154 154 ARG HB2 H 1 1.747 . . 2 . . . A 147 . . . 6104 1 1511 . 1 1 154 154 ARG CG C 13 26.500 . . 1 . . . A 147 . . . 6104 1 1512 . 1 1 154 154 ARG HG2 H 1 1.600 . . 2 . . . A 147 . . . 6104 1 1513 . 1 1 154 154 ARG CD C 13 43.420 . . 1 . . . A 147 . . . 6104 1 1514 . 1 1 154 154 ARG HD2 H 1 3.181 . . 2 . . . A 147 . . . 6104 1 1515 . 1 1 155 155 THR N N 15 120.504 . . 1 . . . A 148 . . . 6104 1 1516 . 1 1 155 155 THR H H 1 7.677 . . 1 . . . A 148 . . . 6104 1 1517 . 1 1 155 155 THR CA C 13 63.234 . . 1 . . . A 148 . . . 6104 1 1518 . 1 1 155 155 THR CB C 13 70.695 . . 1 . . . A 148 . . . 6104 1 1519 . 1 1 157 157 ARG CA C 13 59.502 . . 1 . . . A 150 . . . 6104 1 1520 . 1 1 157 157 ARG HA H 1 4.287 . . 1 . . . A 150 . . . 6104 1 1521 . 1 1 157 157 ARG CB C 13 32.200 . . 1 . . . A 150 . . . 6104 1 1522 . 1 1 157 157 ARG HB3 H 1 2.067 . . 2 . . . A 150 . . . 6104 1 1523 . 1 1 157 157 ARG HB2 H 1 2.010 . . 2 . . . A 150 . . . 6104 1 1524 . 1 1 157 157 ARG CG C 13 24.070 . . 1 . . . A 150 . . . 6104 1 1525 . 1 1 157 157 ARG HG2 H 1 1.554 . . 2 . . . A 150 . . . 6104 1 1526 . 1 1 157 157 ARG CD C 13 42.480 . . 1 . . . A 150 . . . 6104 1 1527 . 1 1 164 164 ASP N N 15 121.497 . . 1 . . . A 157 . . . 6104 1 1528 . 1 1 164 164 ASP H H 1 8.242 . . 1 . . . A 157 . . . 6104 1 1529 . 1 1 164 164 ASP CA C 13 54.132 . . 1 . . . A 157 . . . 6104 1 1530 . 1 1 164 164 ASP CB C 13 41.500 . . 1 . . . A 157 . . . 6104 1 1531 . 1 1 165 165 ALA N N 15 129.185 . . 1 . . . A 158 . . . 6104 1 1532 . 1 1 165 165 ALA H H 1 7.719 . . 1 . . . A 158 . . . 6104 1 1533 . 1 1 165 165 ALA CA C 13 53.987 . . 1 . . . A 158 . . . 6104 1 1534 . 1 1 165 165 ALA CB C 13 20.504 . . 1 . . . A 158 . . . 6104 1 1535 . 1 1 168 168 LEU N N 15 122.284 . . 1 . . . A 161 . . . 6104 1 1536 . 1 1 168 168 LEU H H 1 8.260 . . 1 . . . A 161 . . . 6104 1 1537 . 1 1 168 168 LEU CA C 13 55.351 . . 1 . . . A 161 . . . 6104 1 1538 . 1 1 168 168 LEU CB C 13 42.490 . . 1 . . . A 161 . . . 6104 1 1539 . 1 1 168 168 LEU CD1 C 13 25.200 . . 1 . . . A 161 . . . 6104 1 1540 . 1 1 168 168 LEU HD11 H 1 0.945 . . 2 . . . A 161 . . . 6104 1 1541 . 1 1 168 168 LEU HD12 H 1 0.945 . . 2 . . . A 161 . . . 6104 1 1542 . 1 1 168 168 LEU HD13 H 1 0.945 . . 2 . . . A 161 . . . 6104 1 1543 . 1 1 169 169 VAL N N 15 119.805 . . 1 . . . A 162 . . . 6104 1 1544 . 1 1 169 169 VAL H H 1 8.033 . . 1 . . . A 162 . . . 6104 1 1545 . 1 1 169 169 VAL CA C 13 62.070 . . 1 . . . A 162 . . . 6104 1 1546 . 1 1 169 169 VAL CB C 13 33.001 . . 1 . . . A 162 . . . 6104 1 1547 . 1 1 170 170 ASP N N 15 124.151 . . 1 . . . A 163 . . . 6104 1 1548 . 1 1 170 170 ASP H H 1 8.302 . . 1 . . . A 163 . . . 6104 1 1549 . 1 1 170 170 ASP CA C 13 54.410 . . 1 . . . A 163 . . . 6104 1 1550 . 1 1 170 170 ASP CB C 13 41.193 . . 1 . . . A 163 . . . 6104 1 1551 . 1 1 173 173 SER N N 15 121.233 . . 1 . . . A 166 . . . 6104 1 1552 . 1 1 173 173 SER H H 1 7.932 . . 1 . . . A 166 . . . 6104 1 1553 . 1 1 173 173 SER CA C 13 60.252 . . 1 . . . A 166 . . . 6104 1 1554 . 1 1 173 173 SER CB C 13 64.844 . . 1 . . . A 166 . . . 6104 1 1555 . 1 1 174 174 ASN N N 15 125.774 . . 1 . . . A 167 . . . 6104 1 1556 . 1 1 174 174 ASN H H 1 8.071 . . 1 . . . A 167 . . . 6104 1 1557 . 1 1 174 174 ASN CA C 13 54.831 . . 1 . . . A 167 . . . 6104 1 1558 . 1 1 174 174 ASN CB C 13 40.609 . . 1 . . . A 167 . . . 6104 1 1559 . 1 1 176 176 VAL N N 15 120.747 . . 1 . . . A 169 . . . 6104 1 1560 . 1 1 176 176 VAL H H 1 8.226 . . 1 . . . A 169 . . . 6104 1 1561 . 1 1 176 176 VAL CA C 13 62.604 . . 1 . . . A 169 . . . 6104 1 1562 . 1 1 176 176 VAL CB C 13 32.490 . . 1 . . . A 169 . . . 6104 1 1563 . 1 1 177 177 ILE N N 15 126.378 . . 1 . . . A 170 . . . 6104 1 1564 . 1 1 177 177 ILE H H 1 8.304 . . 1 . . . A 170 . . . 6104 1 1565 . 1 1 177 177 ILE CA C 13 61.150 . . 1 . . . A 170 . . . 6104 1 1566 . 1 1 177 177 ILE CB C 13 38.622 . . 1 . . . A 170 . . . 6104 1 1567 . 1 1 178 178 GLU N N 15 128.372 . . 1 . . . A 171 . . . 6104 1 1568 . 1 1 178 178 GLU H H 1 8.222 . . 1 . . . A 171 . . . 6104 1 1569 . 1 1 178 178 GLU CA C 13 57.484 . . 1 . . . A 171 . . . 6104 1 1570 . 1 1 178 178 GLU CB C 13 31.042 . . 1 . . . A 171 . . . 6104 1 1571 . 1 1 179 179 GLY N N 15 116.577 . . 1 . . . A 172 . . . 6104 1 1572 . 1 1 179 179 GLY H H 1 7.945 . . 1 . . . A 172 . . . 6104 1 1573 . 1 1 179 179 GLY CA C 13 46.408 . . 1 . . . A 172 . . . 6104 1 1574 . 1 1 180 180 TYR N N 15 119.932 . . 1 . . . A 173 . . . 6104 1 1575 . 1 1 180 180 TYR H H 1 7.866 . . 1 . . . A 173 . . . 6104 1 1576 . 1 1 180 180 TYR CB C 13 38.626 . . 1 . . . A 173 . . . 6104 1 1577 . 1 1 182 182 LYS N N 15 122.875 . . 1 . . . A 175 . . . 6104 1 1578 . 1 1 182 182 LYS H H 1 7.918 . . 1 . . . A 175 . . . 6104 1 1579 . 1 1 182 182 LYS CA C 13 56.235 . . 1 . . . A 175 . . . 6104 1 stop_ save_