data_4080 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4080 _Entry.Title ; NMR Solution Structure of Calcium-Saturated Skeletal Muscle Troponin C ; _Entry.Type . _Entry.Version_type update _Entry.Submission_date 1997-12-07 _Entry.Accession_date 1997-12-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _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 Carolyn Slupsky . M. . 4080 2 Brian Sykes . D. . 4080 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4080 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 709 4080 '13C chemical shifts' 272 4080 '15N chemical shifts' 8 4080 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 . . 2001-02-17 . reformat BMRB 'Format updated to NMR-STAR version 2.1' 4080 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4080 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Slupsky, C. M. and Sykes, B. D., "NMR Solution Structure of Calcium-Saturated Skeletal Muscle Troponin C," Biochemistry 34, 15953-15964 (1995). ; _Citation.Title 'NMR Solution Structure of Calcium-Saturated Skeletal Muscle Troponin C' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 34 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 14953 _Citation.Page_last 15964 _Citation.Year 1995 _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 Carolyn Slupsky . M. . 4080 1 2 Brian Sykes . D. . 4080 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Troponin C' 4080 1 TnC 4080 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TnC _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TnC _Assembly.Entry_ID 4080 _Assembly.ID 1 _Assembly.Name 'Troponin C' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _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 4080 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 TnC 1 $TnC . . . native . . . . . 4080 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Troponin C' system 4080 1 TnC abbreviation 4080 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; Troponin C is a a thin filament calcium-binding protein responsible for triggering muscle contraction from the sarcoplasmic reticulum ; 4080 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TnC _Entity.Sf_category entity _Entity.Sf_framecode TnC _Entity.Entry_ID 4080 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Troponin C' _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 ; ASMTDQQAEARAFLSEEMIA EFKAAFDMFDADGGGDISTK ELGTVMRMLGQNPTKEELDA IIEEVDEDGSGTIDFEEFLV MMVRQMKEDAKGKSEEELAN CFRIFDKNADGFIDIEELGE ILRATGEHVIEEDIEDLMKD SDKNNDGRIDFDEFLKMMEG VQ ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 162 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Troponin C (TnC) is a member of a trimer of proteins called Troponin complex (TnI and TnT are the other two components) ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1NCX . "Troponin C" . . . . . 100.00 162 99.38 99.38 1.19e-106 . . . . 4080 1 2 no PDB 1NCY . "Troponin-C, Complex With Manganese" . . . . . 100.00 162 99.38 99.38 1.19e-106 . . . . 4080 1 3 no PDB 1NCZ . "Troponin C" . . . . . 100.00 162 99.38 99.38 1.19e-106 . . . . 4080 1 4 no PDB 1TNW . "Nmr Solution Structure Of Calcium Saturated Skeletal Muscle Troponin C" . . . . . 100.00 162 100.00 100.00 2.61e-107 . . . . 4080 1 5 no PDB 1TNX . "Nmr Solution Structure Of Calcium Saturated Skeletal Muscle Troponin C" . . . . . 100.00 162 100.00 100.00 2.61e-107 . . . . 4080 1 6 no PDB 1TOP . "Structure Of Chicken Skeletal Muscle Troponin-C At 1.78 Angstroms Resolution" . . . . . 100.00 162 99.38 99.38 1.19e-106 . . . . 4080 1 7 no PDB 1YTZ . "Crystal Structure Of Skeletal Muscle Troponin In The Ca2+- Activated State" . . . . . 100.00 162 99.38 99.38 1.19e-106 . . . . 4080 1 8 no PDB 1YV0 . "Crystal Structure Of Skeletal Muscle Troponin In The Ca2+- Free State" . . . . . 100.00 162 99.38 99.38 1.19e-106 . . . . 4080 1 9 no PDB 2W49 . "Isometrically Contracting Insect Asynchronous Flight Muscle" . . . . . 98.15 159 99.37 99.37 1.66e-104 . . . . 4080 1 10 no PDB 2W4U . "Isometrically Contracting Insect Asynchronous Flight Muscle Quick Frozen After A Length Step" . . . . . 98.15 159 99.37 99.37 1.66e-104 . . . . 4080 1 11 no PDB 4TNC . "Refined Structure Of Chicken Skeletal Muscle Troponin C In The Two-Calcium State At 2-Angstroms Resolution" . . . . . 100.00 162 96.91 97.53 3.00e-103 . . . . 4080 1 12 no PDB 5TNC . "Refined Crystal Structure Of Troponin C From Turkey Skeletal Muscle At 2.0 Angstroms Resolution" . . . . . 100.00 162 98.15 98.77 7.99e-105 . . . . 4080 1 13 no GB AAA49097 . "troponin C [Gallus gallus]" . . . . . 100.00 163 100.00 100.00 3.79e-107 . . . . 4080 1 14 no GB AAB19538 . "troponin C, partial [Phasianidae]" . . . . . 100.00 162 98.15 98.77 2.51e-105 . . . . 4080 1 15 no GB KFM07723 . "Troponin C, skeletal muscle, partial [Aptenodytes forsteri]" . . . . . 100.00 162 97.53 98.15 9.83e-105 . . . . 4080 1 16 no GB KFO77465 . "Troponin C, skeletal muscle, partial [Cuculus canorus]" . . . . . 100.00 163 97.53 98.15 3.24e-104 . . . . 4080 1 17 no GB KFR04283 . "Troponin C, skeletal muscle, partial [Nipponia nippon]" . . . . . 100.00 163 97.53 98.15 3.24e-104 . . . . 4080 1 18 no REF NP_990781 . "troponin C, skeletal muscle [Gallus gallus]" . . . . . 100.00 163 100.00 100.00 3.79e-107 . . . . 4080 1 19 no REF XP_005240050 . "PREDICTED: troponin C, skeletal muscle [Falco peregrinus]" . . . . . 100.00 163 98.15 98.77 1.75e-105 . . . . 4080 1 20 no REF XP_005445015 . "PREDICTED: troponin C, skeletal muscle [Falco cherrug]" . . . . . 100.00 163 98.15 98.77 1.75e-105 . . . . 4080 1 21 no REF XP_009277803 . "PREDICTED: troponin C, skeletal muscle isoform X1 [Aptenodytes forsteri]" . . . . . 100.00 163 97.53 98.15 4.58e-105 . . . . 4080 1 22 no REF XP_009277805 . "PREDICTED: troponin C, skeletal muscle isoform X2 [Aptenodytes forsteri]" . . . . . 100.00 163 97.53 98.15 4.58e-105 . . . . 4080 1 23 no SP P02588 . "RecName: Full=Troponin C, skeletal muscle" . . . . . 100.00 163 99.38 99.38 1.25e-106 . . . . 4080 1 24 no SP P10246 . "RecName: Full=Troponin C, skeletal muscle" . . . . . 100.00 162 98.15 98.77 2.51e-105 . . . . 4080 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Troponin C' common 4080 1 TnC abbreviation 4080 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 . ALA . 4080 1 2 . SER . 4080 1 3 . MET . 4080 1 4 . THR . 4080 1 5 . ASP . 4080 1 6 . GLN . 4080 1 7 . GLN . 4080 1 8 . ALA . 4080 1 9 . GLU . 4080 1 10 . ALA . 4080 1 11 . ARG . 4080 1 12 . ALA . 4080 1 13 . PHE . 4080 1 14 . LEU . 4080 1 15 . SER . 4080 1 16 . GLU . 4080 1 17 . GLU . 4080 1 18 . MET . 4080 1 19 . ILE . 4080 1 20 . ALA . 4080 1 21 . GLU . 4080 1 22 . PHE . 4080 1 23 . LYS . 4080 1 24 . ALA . 4080 1 25 . ALA . 4080 1 26 . PHE . 4080 1 27 . ASP . 4080 1 28 . MET . 4080 1 29 . PHE . 4080 1 30 . ASP . 4080 1 31 . ALA . 4080 1 32 . ASP . 4080 1 33 . GLY . 4080 1 34 . GLY . 4080 1 35 . GLY . 4080 1 36 . ASP . 4080 1 37 . ILE . 4080 1 38 . SER . 4080 1 39 . THR . 4080 1 40 . LYS . 4080 1 41 . GLU . 4080 1 42 . LEU . 4080 1 43 . GLY . 4080 1 44 . THR . 4080 1 45 . VAL . 4080 1 46 . MET . 4080 1 47 . ARG . 4080 1 48 . MET . 4080 1 49 . LEU . 4080 1 50 . GLY . 4080 1 51 . GLN . 4080 1 52 . ASN . 4080 1 53 . PRO . 4080 1 54 . THR . 4080 1 55 . LYS . 4080 1 56 . GLU . 4080 1 57 . GLU . 4080 1 58 . LEU . 4080 1 59 . ASP . 4080 1 60 . ALA . 4080 1 61 . ILE . 4080 1 62 . ILE . 4080 1 63 . GLU . 4080 1 64 . GLU . 4080 1 65 . VAL . 4080 1 66 . ASP . 4080 1 67 . GLU . 4080 1 68 . ASP . 4080 1 69 . GLY . 4080 1 70 . SER . 4080 1 71 . GLY . 4080 1 72 . THR . 4080 1 73 . ILE . 4080 1 74 . ASP . 4080 1 75 . PHE . 4080 1 76 . GLU . 4080 1 77 . GLU . 4080 1 78 . PHE . 4080 1 79 . LEU . 4080 1 80 . VAL . 4080 1 81 . MET . 4080 1 82 . MET . 4080 1 83 . VAL . 4080 1 84 . ARG . 4080 1 85 . GLN . 4080 1 86 . MET . 4080 1 87 . LYS . 4080 1 88 . GLU . 4080 1 89 . ASP . 4080 1 90 . ALA . 4080 1 91 . LYS . 4080 1 92 . GLY . 4080 1 93 . LYS . 4080 1 94 . SER . 4080 1 95 . GLU . 4080 1 96 . GLU . 4080 1 97 . GLU . 4080 1 98 . LEU . 4080 1 99 . ALA . 4080 1 100 . ASN . 4080 1 101 . CYS . 4080 1 102 . PHE . 4080 1 103 . ARG . 4080 1 104 . ILE . 4080 1 105 . PHE . 4080 1 106 . ASP . 4080 1 107 . LYS . 4080 1 108 . ASN . 4080 1 109 . ALA . 4080 1 110 . ASP . 4080 1 111 . GLY . 4080 1 112 . PHE . 4080 1 113 . ILE . 4080 1 114 . ASP . 4080 1 115 . ILE . 4080 1 116 . GLU . 4080 1 117 . GLU . 4080 1 118 . LEU . 4080 1 119 . GLY . 4080 1 120 . GLU . 4080 1 121 . ILE . 4080 1 122 . LEU . 4080 1 123 . ARG . 4080 1 124 . ALA . 4080 1 125 . THR . 4080 1 126 . GLY . 4080 1 127 . GLU . 4080 1 128 . HIS . 4080 1 129 . VAL . 4080 1 130 . ILE . 4080 1 131 . GLU . 4080 1 132 . GLU . 4080 1 133 . ASP . 4080 1 134 . ILE . 4080 1 135 . GLU . 4080 1 136 . ASP . 4080 1 137 . LEU . 4080 1 138 . MET . 4080 1 139 . LYS . 4080 1 140 . ASP . 4080 1 141 . SER . 4080 1 142 . ASP . 4080 1 143 . LYS . 4080 1 144 . ASN . 4080 1 145 . ASN . 4080 1 146 . ASP . 4080 1 147 . GLY . 4080 1 148 . ARG . 4080 1 149 . ILE . 4080 1 150 . ASP . 4080 1 151 . PHE . 4080 1 152 . ASP . 4080 1 153 . GLU . 4080 1 154 . PHE . 4080 1 155 . LEU . 4080 1 156 . LYS . 4080 1 157 . MET . 4080 1 158 . MET . 4080 1 159 . GLU . 4080 1 160 . GLY . 4080 1 161 . VAL . 4080 1 162 . GLN . 4080 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 4080 1 . SER 2 2 4080 1 . MET 3 3 4080 1 . THR 4 4 4080 1 . ASP 5 5 4080 1 . GLN 6 6 4080 1 . GLN 7 7 4080 1 . ALA 8 8 4080 1 . GLU 9 9 4080 1 . ALA 10 10 4080 1 . ARG 11 11 4080 1 . ALA 12 12 4080 1 . PHE 13 13 4080 1 . LEU 14 14 4080 1 . SER 15 15 4080 1 . GLU 16 16 4080 1 . GLU 17 17 4080 1 . MET 18 18 4080 1 . ILE 19 19 4080 1 . ALA 20 20 4080 1 . GLU 21 21 4080 1 . PHE 22 22 4080 1 . LYS 23 23 4080 1 . ALA 24 24 4080 1 . ALA 25 25 4080 1 . PHE 26 26 4080 1 . ASP 27 27 4080 1 . MET 28 28 4080 1 . PHE 29 29 4080 1 . ASP 30 30 4080 1 . ALA 31 31 4080 1 . ASP 32 32 4080 1 . GLY 33 33 4080 1 . GLY 34 34 4080 1 . GLY 35 35 4080 1 . ASP 36 36 4080 1 . ILE 37 37 4080 1 . SER 38 38 4080 1 . THR 39 39 4080 1 . LYS 40 40 4080 1 . GLU 41 41 4080 1 . LEU 42 42 4080 1 . GLY 43 43 4080 1 . THR 44 44 4080 1 . VAL 45 45 4080 1 . MET 46 46 4080 1 . ARG 47 47 4080 1 . MET 48 48 4080 1 . LEU 49 49 4080 1 . GLY 50 50 4080 1 . GLN 51 51 4080 1 . ASN 52 52 4080 1 . PRO 53 53 4080 1 . THR 54 54 4080 1 . LYS 55 55 4080 1 . GLU 56 56 4080 1 . GLU 57 57 4080 1 . LEU 58 58 4080 1 . ASP 59 59 4080 1 . ALA 60 60 4080 1 . ILE 61 61 4080 1 . ILE 62 62 4080 1 . GLU 63 63 4080 1 . GLU 64 64 4080 1 . VAL 65 65 4080 1 . ASP 66 66 4080 1 . GLU 67 67 4080 1 . ASP 68 68 4080 1 . GLY 69 69 4080 1 . SER 70 70 4080 1 . GLY 71 71 4080 1 . THR 72 72 4080 1 . ILE 73 73 4080 1 . ASP 74 74 4080 1 . PHE 75 75 4080 1 . GLU 76 76 4080 1 . GLU 77 77 4080 1 . PHE 78 78 4080 1 . LEU 79 79 4080 1 . VAL 80 80 4080 1 . MET 81 81 4080 1 . MET 82 82 4080 1 . VAL 83 83 4080 1 . ARG 84 84 4080 1 . GLN 85 85 4080 1 . MET 86 86 4080 1 . LYS 87 87 4080 1 . GLU 88 88 4080 1 . ASP 89 89 4080 1 . ALA 90 90 4080 1 . LYS 91 91 4080 1 . GLY 92 92 4080 1 . LYS 93 93 4080 1 . SER 94 94 4080 1 . GLU 95 95 4080 1 . GLU 96 96 4080 1 . GLU 97 97 4080 1 . LEU 98 98 4080 1 . ALA 99 99 4080 1 . ASN 100 100 4080 1 . CYS 101 101 4080 1 . PHE 102 102 4080 1 . ARG 103 103 4080 1 . ILE 104 104 4080 1 . PHE 105 105 4080 1 . ASP 106 106 4080 1 . LYS 107 107 4080 1 . ASN 108 108 4080 1 . ALA 109 109 4080 1 . ASP 110 110 4080 1 . GLY 111 111 4080 1 . PHE 112 112 4080 1 . ILE 113 113 4080 1 . ASP 114 114 4080 1 . ILE 115 115 4080 1 . GLU 116 116 4080 1 . GLU 117 117 4080 1 . LEU 118 118 4080 1 . GLY 119 119 4080 1 . GLU 120 120 4080 1 . ILE 121 121 4080 1 . LEU 122 122 4080 1 . ARG 123 123 4080 1 . ALA 124 124 4080 1 . THR 125 125 4080 1 . GLY 126 126 4080 1 . GLU 127 127 4080 1 . HIS 128 128 4080 1 . VAL 129 129 4080 1 . ILE 130 130 4080 1 . GLU 131 131 4080 1 . GLU 132 132 4080 1 . ASP 133 133 4080 1 . ILE 134 134 4080 1 . GLU 135 135 4080 1 . ASP 136 136 4080 1 . LEU 137 137 4080 1 . MET 138 138 4080 1 . LYS 139 139 4080 1 . ASP 140 140 4080 1 . SER 141 141 4080 1 . ASP 142 142 4080 1 . LYS 143 143 4080 1 . ASN 144 144 4080 1 . ASN 145 145 4080 1 . ASP 146 146 4080 1 . GLY 147 147 4080 1 . ARG 148 148 4080 1 . ILE 149 149 4080 1 . ASP 150 150 4080 1 . PHE 151 151 4080 1 . ASP 152 152 4080 1 . GLU 153 153 4080 1 . PHE 154 154 4080 1 . LEU 155 155 4080 1 . LYS 156 156 4080 1 . MET 157 157 4080 1 . MET 158 158 4080 1 . GLU 159 159 4080 1 . GLY 160 160 4080 1 . VAL 161 161 4080 1 . GLN 162 162 4080 1 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 4080 _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 $TnC . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . 'skeletal muscle' . . . . . . . . . . . . . . . . . 4080 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 4080 _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 $TnC . 'E. coli' 'Escherichia coli' 'recombinant technology' . . Escherichia coli . . . . . . . . . . . . . plasmid . . pET3a . . . native . . 4080 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_TnC _Sample.Sf_category sample _Sample.Sf_framecode sample_TnC _Sample.Entry_ID 4080 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Chemical shifts are for E. coli expressed chicken skeletal Troponin C (modified at cysteine 101 with a carboxamidomethyl group) in solutions described above ; _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 'Troponin C' [U-15N] . . 1 $TnC . . 1.4 . . mM . . . . 4080 1 2 D2O . . . . . . . 10 . . % . . . . 4080 1 3 H2O . . . . . . . 90 . . % . . . . 4080 1 4 KCl . . . . . . . 150 . . mM . . . . 4080 1 5 CaCl2 . . . . . . . 16 . . mM . . . . 4080 1 6 TFE . . . . . . . 15 . . '% v/v' . . . . 4080 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4080 _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 . n/a 4080 1 temperature 313 . K 4080 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4080 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4080 _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_one Varian Unity . 600 . . . 4080 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 4080 _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 . . . . . . . . . . . . 1 $sample_TnC . . . 1 $sample_conditions . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4080 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference _Chem_shift_reference.Entry_ID 4080 _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 internal . . . . . 1 $entry_citation . . 1 $entry_citation 4080 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 external . . . . . 1 $entry_citation . . 1 $entry_citation 4080 1 N 15 NH4Cl nitrogen . . . . ppm 24.93 external . . . . . 1 $entry_citation . . 1 $entry_citation 4080 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_assignment _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment _Assigned_chem_shift_list.Entry_ID 4080 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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_TnC . 4080 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HB1 H 1 1.56 . . 1 . . . . . . . . 4080 1 2 . 1 1 1 1 ALA HB2 H 1 1.56 . . 1 . . . . . . . . 4080 1 3 . 1 1 1 1 ALA HB3 H 1 1.56 . . 1 . . . . . . . . 4080 1 4 . 1 1 1 1 ALA CB C 13 20.0 . . 1 . . . . . . . . 4080 1 5 . 1 1 2 2 SER HB2 H 1 3.90 . . 1 . . . . . . . . 4080 1 6 . 1 1 2 2 SER CB C 13 64.4 . . 1 . . . . . . . . 4080 1 7 . 1 1 3 3 MET HE1 H 1 2.07 . . 1 . . . . . . . . 4080 1 8 . 1 1 3 3 MET HE2 H 1 2.07 . . 1 . . . . . . . . 4080 1 9 . 1 1 3 3 MET HE3 H 1 2.07 . . 1 . . . . . . . . 4080 1 10 . 1 1 3 3 MET CE C 13 16.9 . . 1 . . . . . . . . 4080 1 11 . 1 1 4 4 THR HB H 1 4.29 . . 1 . . . . . . . . 4080 1 12 . 1 1 4 4 THR HG21 H 1 1.20 . . 1 . . . . . . . . 4080 1 13 . 1 1 4 4 THR HG22 H 1 1.20 . . 1 . . . . . . . . 4080 1 14 . 1 1 4 4 THR HG23 H 1 1.20 . . 1 . . . . . . . . 4080 1 15 . 1 1 4 4 THR CB C 13 69.9 . . 1 . . . . . . . . 4080 1 16 . 1 1 4 4 THR CG2 C 13 21.7 . . 1 . . . . . . . . 4080 1 17 . 1 1 5 5 ASP HB2 H 1 2.73 . . 2 . . . . . . . . 4080 1 18 . 1 1 5 5 ASP HB3 H 1 2.62 . . 2 . . . . . . . . 4080 1 19 . 1 1 5 5 ASP CB C 13 40.5 . . 1 . . . . . . . . 4080 1 20 . 1 1 6 6 GLN HB2 H 1 2.25 . . 2 . . . . . . . . 4080 1 21 . 1 1 6 6 GLN HB3 H 1 2.06 . . 2 . . . . . . . . 4080 1 22 . 1 1 6 6 GLN HG2 H 1 2.44 . . 2 . . . . . . . . 4080 1 23 . 1 1 6 6 GLN HG3 H 1 2.34 . . 2 . . . . . . . . 4080 1 24 . 1 1 6 6 GLN CB C 13 31.2 . . 1 . . . . . . . . 4080 1 25 . 1 1 8 8 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 4080 1 26 . 1 1 8 8 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 4080 1 27 . 1 1 8 8 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 4080 1 28 . 1 1 8 8 ALA CB C 13 17.8 . . 1 . . . . . . . . 4080 1 29 . 1 1 9 9 GLU HB2 H 1 2.07 . . 1 . . . . . . . . 4080 1 30 . 1 1 9 9 GLU HB3 H 1 2.07 . . 1 . . . . . . . . 4080 1 31 . 1 1 9 9 GLU HG2 H 1 2.31 . . 1 . . . . . . . . 4080 1 32 . 1 1 9 9 GLU HG3 H 1 2.21 . . 2 . . . . . . . . 4080 1 33 . 1 1 9 9 GLU CB C 13 30.4 . . 1 . . . . . . . . 4080 1 34 . 1 1 9 9 GLU CG C 13 36.1 . . 1 . . . . . . . . 4080 1 35 . 1 1 10 10 ALA HB1 H 1 1.42 . . 1 . . . . . . . . 4080 1 36 . 1 1 10 10 ALA HB2 H 1 1.42 . . 1 . . . . . . . . 4080 1 37 . 1 1 10 10 ALA HB3 H 1 1.42 . . 1 . . . . . . . . 4080 1 38 . 1 1 10 10 ALA CB C 13 17.7 . . 1 . . . . . . . . 4080 1 39 . 1 1 11 11 ARG HB2 H 1 1.84 . . 1 . . . . . . . . 4080 1 40 . 1 1 11 11 ARG HB3 H 1 1.84 . . 1 . . . . . . . . 4080 1 41 . 1 1 11 11 ARG HG2 H 1 1.92 . . 2 . . . . . . . . 4080 1 42 . 1 1 11 11 ARG HG3 H 1 1.71 . . 2 . . . . . . . . 4080 1 43 . 1 1 11 11 ARG HD2 H 1 3.21 . . 1 . . . . . . . . 4080 1 44 . 1 1 11 11 ARG HD3 H 1 3.21 . . 1 . . . . . . . . 4080 1 45 . 1 1 11 11 ARG CG C 13 28.3 . . 1 . . . . . . . . 4080 1 46 . 1 1 11 11 ARG CD C 13 44.0 . . 1 . . . . . . . . 4080 1 47 . 1 1 12 12 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 4080 1 48 . 1 1 12 12 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 4080 1 49 . 1 1 12 12 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 4080 1 50 . 1 1 12 12 ALA CB C 13 19.0 . . 1 . . . . . . . . 4080 1 51 . 1 1 13 13 PHE HB2 H 1 3.19 . . 2 . . . . . . . . 4080 1 52 . 1 1 13 13 PHE HB3 H 1 3.14 . . 2 . . . . . . . . 4080 1 53 . 1 1 13 13 PHE HD1 H 1 7.28 . . 1 . . . . . . . . 4080 1 54 . 1 1 13 13 PHE HD2 H 1 7.28 . . 1 . . . . . . . . 4080 1 55 . 1 1 13 13 PHE HE1 H 1 7.37 . . 1 . . . . . . . . 4080 1 56 . 1 1 13 13 PHE HE2 H 1 7.37 . . 1 . . . . . . . . 4080 1 57 . 1 1 13 13 PHE CB C 13 40.9 . . 1 . . . . . . . . 4080 1 58 . 1 1 14 14 LEU HB2 H 1 1.97 . . 2 . . . . . . . . 4080 1 59 . 1 1 14 14 LEU HB3 H 1 1.57 . . 2 . . . . . . . . 4080 1 60 . 1 1 14 14 LEU HG H 1 1.90 . . 1 . . . . . . . . 4080 1 61 . 1 1 14 14 LEU HD11 H 1 0.88 . . 2 . . . . . . . . 4080 1 62 . 1 1 14 14 LEU HD12 H 1 0.88 . . 2 . . . . . . . . 4080 1 63 . 1 1 14 14 LEU HD13 H 1 0.88 . . 2 . . . . . . . . 4080 1 64 . 1 1 14 14 LEU HD21 H 1 0.92 . . 2 . . . . . . . . 4080 1 65 . 1 1 14 14 LEU HD22 H 1 0.92 . . 2 . . . . . . . . 4080 1 66 . 1 1 14 14 LEU HD23 H 1 0.92 . . 2 . . . . . . . . 4080 1 67 . 1 1 14 14 LEU CB C 13 44.4 . . 1 . . . . . . . . 4080 1 68 . 1 1 14 14 LEU CG C 13 27.8 . . 1 . . . . . . . . 4080 1 69 . 1 1 14 14 LEU CD1 C 13 26.04 . . 2 . . . . . . . . 4080 1 70 . 1 1 14 14 LEU CD2 C 13 23.87 . . 2 . . . . . . . . 4080 1 71 . 1 1 15 15 SER HB2 H 1 4.39 . . 2 . . . . . . . . 4080 1 72 . 1 1 15 15 SER HB3 H 1 4.01 . . 2 . . . . . . . . 4080 1 73 . 1 1 15 15 SER CB C 13 65.9 . . 1 . . . . . . . . 4080 1 74 . 1 1 16 16 GLU HB2 H 1 2.07 . . 1 . . . . . . . . 4080 1 75 . 1 1 16 16 GLU HB3 H 1 2.07 . . 1 . . . . . . . . 4080 1 76 . 1 1 16 16 GLU HG2 H 1 2.36 . . 1 . . . . . . . . 4080 1 77 . 1 1 16 16 GLU HG3 H 1 2.36 . . 1 . . . . . . . . 4080 1 78 . 1 1 16 16 GLU CB C 13 29.6 . . 1 . . . . . . . . 4080 1 79 . 1 1 16 16 GLU CG C 13 37.5 . . 1 . . . . . . . . 4080 1 80 . 1 1 17 17 GLU HB2 H 1 2.07 . . 2 . . . . . . . . 4080 1 81 . 1 1 17 17 GLU HB3 H 1 1.95 . . 2 . . . . . . . . 4080 1 82 . 1 1 17 17 GLU HG2 H 1 2.50 . . 1 . . . . . . . . 4080 1 83 . 1 1 17 17 GLU HG3 H 1 2.30 . . 2 . . . . . . . . 4080 1 84 . 1 1 17 17 GLU CB C 13 29.1 . . 1 . . . . . . . . 4080 1 85 . 1 1 17 17 GLU CG C 13 37.8 . . 1 . . . . . . . . 4080 1 86 . 1 1 18 18 MET HB2 H 1 2.14 . . 2 . . . . . . . . 4080 1 87 . 1 1 18 18 MET HB3 H 1 1.93 . . 2 . . . . . . . . 4080 1 88 . 1 1 18 18 MET HG2 H 1 2.48 . . 2 . . . . . . . . 4080 1 89 . 1 1 18 18 MET HG3 H 1 2.35 . . 2 . . . . . . . . 4080 1 90 . 1 1 18 18 MET HE1 H 1 1.98 . . 1 . . . . . . . . 4080 1 91 . 1 1 18 18 MET HE2 H 1 1.98 . . 1 . . . . . . . . 4080 1 92 . 1 1 18 18 MET HE3 H 1 1.98 . . 1 . . . . . . . . 4080 1 93 . 1 1 18 18 MET CB C 13 32.6 . . 1 . . . . . . . . 4080 1 94 . 1 1 18 18 MET CG C 13 32.7 . . 1 . . . . . . . . 4080 1 95 . 1 1 18 18 MET CE C 13 16.7 . . 1 . . . . . . . . 4080 1 96 . 1 1 19 19 ILE HB H 1 2.04 . . 1 . . . . . . . . 4080 1 97 . 1 1 19 19 ILE HG12 H 1 1.64 . . 2 . . . . . . . . 4080 1 98 . 1 1 19 19 ILE HG13 H 1 0.98 . . 2 . . . . . . . . 4080 1 99 . 1 1 19 19 ILE HG21 H 1 1.15 . . 1 . . . . . . . . 4080 1 100 . 1 1 19 19 ILE HG22 H 1 1.15 . . 1 . . . . . . . . 4080 1 101 . 1 1 19 19 ILE HG23 H 1 1.15 . . 1 . . . . . . . . 4080 1 102 . 1 1 19 19 ILE HD11 H 1 0.85 . . 1 . . . . . . . . 4080 1 103 . 1 1 19 19 ILE HD12 H 1 0.85 . . 1 . . . . . . . . 4080 1 104 . 1 1 19 19 ILE HD13 H 1 0.85 . . 1 . . . . . . . . 4080 1 105 . 1 1 19 19 ILE CB C 13 37.8 . . 1 . . . . . . . . 4080 1 106 . 1 1 19 19 ILE CG1 C 13 29.1 . . 2 . . . . . . . . 4080 1 107 . 1 1 19 19 ILE CG2 C 13 17.7 . . 2 . . . . . . . . 4080 1 108 . 1 1 19 19 ILE CD1 C 13 13.8 . . 1 . . . . . . . . 4080 1 109 . 1 1 20 20 ALA HB1 H 1 1.52 . . 1 . . . . . . . . 4080 1 110 . 1 1 20 20 ALA HB2 H 1 1.52 . . 1 . . . . . . . . 4080 1 111 . 1 1 20 20 ALA HB3 H 1 1.52 . . 1 . . . . . . . . 4080 1 112 . 1 1 20 20 ALA CB C 13 18.2 . . 1 . . . . . . . . 4080 1 113 . 1 1 22 22 PHE HB2 H 1 3.56 . . 2 . . . . . . . . 4080 1 114 . 1 1 22 22 PHE HB3 H 1 3.49 . . 2 . . . . . . . . 4080 1 115 . 1 1 22 22 PHE HD1 H 1 7.18 . . 1 . . . . . . . . 4080 1 116 . 1 1 22 22 PHE HD2 H 1 7.18 . . 1 . . . . . . . . 4080 1 117 . 1 1 22 22 PHE HE1 H 1 7.34 . . 1 . . . . . . . . 4080 1 118 . 1 1 22 22 PHE HE2 H 1 7.34 . . 1 . . . . . . . . 4080 1 119 . 1 1 22 22 PHE CB C 13 38.3 . . 1 . . . . . . . . 4080 1 120 . 1 1 23 23 LYS HB2 H 1 1.91 . . 1 . . . . . . . . 4080 1 121 . 1 1 23 23 LYS HB3 H 1 1.91 . . 1 . . . . . . . . 4080 1 122 . 1 1 23 23 LYS HG2 H 1 1.20 . . 1 . . . . . . . . 4080 1 123 . 1 1 23 23 LYS HG3 H 1 1.20 . . 1 . . . . . . . . 4080 1 124 . 1 1 23 23 LYS HD2 H 1 1.46 . . 2 . . . . . . . . 4080 1 125 . 1 1 23 23 LYS HD3 H 1 0.38 . . 2 . . . . . . . . 4080 1 126 . 1 1 23 23 LYS HE2 H 1 2.65 . . 2 . . . . . . . . 4080 1 127 . 1 1 23 23 LYS HE3 H 1 2.62 . . 2 . . . . . . . . 4080 1 128 . 1 1 23 23 LYS CB C 13 32.2 . . 1 . . . . . . . . 4080 1 129 . 1 1 23 23 LYS CD C 13 27.4 . . 1 . . . . . . . . 4080 1 130 . 1 1 23 23 LYS CE C 13 42.3 . . 1 . . . . . . . . 4080 1 131 . 1 1 24 24 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 4080 1 132 . 1 1 24 24 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 4080 1 133 . 1 1 24 24 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 4080 1 134 . 1 1 24 24 ALA CB C 13 19.0 . . 1 . . . . . . . . 4080 1 135 . 1 1 25 25 ALA HB1 H 1 1.72 . . 1 . . . . . . . . 4080 1 136 . 1 1 25 25 ALA HB2 H 1 1.72 . . 1 . . . . . . . . 4080 1 137 . 1 1 25 25 ALA HB3 H 1 1.72 . . 1 . . . . . . . . 4080 1 138 . 1 1 25 25 ALA CB C 13 17.8 . . 1 . . . . . . . . 4080 1 139 . 1 1 26 26 PHE HB2 H 1 2.77 . . 1 . . . . . . . . 4080 1 140 . 1 1 26 26 PHE HB3 H 1 2.77 . . 1 . . . . . . . . 4080 1 141 . 1 1 26 26 PHE HD1 H 1 6.74 . . 1 . . . . . . . . 4080 1 142 . 1 1 26 26 PHE HD2 H 1 6.74 . . 1 . . . . . . . . 4080 1 143 . 1 1 26 26 PHE HE1 H 1 7.12 . . 1 . . . . . . . . 4080 1 144 . 1 1 26 26 PHE HE2 H 1 7.12 . . 1 . . . . . . . . 4080 1 145 . 1 1 26 26 PHE HZ H 1 7.29 . . 1 . . . . . . . . 4080 1 146 . 1 1 26 26 PHE CB C 13 40.1 . . 1 . . . . . . . . 4080 1 147 . 1 1 27 27 ASP HB2 H 1 2.64 . . 2 . . . . . . . . 4080 1 148 . 1 1 27 27 ASP HB3 H 1 2.61 . . 2 . . . . . . . . 4080 1 149 . 1 1 28 28 MET HB2 H 1 2.15 . . 2 . . . . . . . . 4080 1 150 . 1 1 28 28 MET HB3 H 1 2.09 . . 2 . . . . . . . . 4080 1 151 . 1 1 28 28 MET HG2 H 1 2.63 . . 2 . . . . . . . . 4080 1 152 . 1 1 28 28 MET HG3 H 1 2.40 . . 2 . . . . . . . . 4080 1 153 . 1 1 28 28 MET HE1 H 1 2.09 . . 1 . . . . . . . . 4080 1 154 . 1 1 28 28 MET HE2 H 1 2.09 . . 1 . . . . . . . . 4080 1 155 . 1 1 28 28 MET HE3 H 1 2.09 . . 1 . . . . . . . . 4080 1 156 . 1 1 28 28 MET CG C 13 32.4 . . 1 . . . . . . . . 4080 1 157 . 1 1 28 28 MET CE C 13 16.9 . . 1 . . . . . . . . 4080 1 158 . 1 1 29 29 PHE HB2 H 1 2.90 . . 2 . . . . . . . . 4080 1 159 . 1 1 29 29 PHE HB3 H 1 2.70 . . 2 . . . . . . . . 4080 1 160 . 1 1 29 29 PHE HD1 H 1 7.14 . . 1 . . . . . . . . 4080 1 161 . 1 1 29 29 PHE HD2 H 1 7.14 . . 1 . . . . . . . . 4080 1 162 . 1 1 29 29 PHE HE1 H 1 7.28 . . 1 . . . . . . . . 4080 1 163 . 1 1 29 29 PHE HE2 H 1 7.28 . . 1 . . . . . . . . 4080 1 164 . 1 1 29 29 PHE CB C 13 40.1 . . 1 . . . . . . . . 4080 1 165 . 1 1 30 30 ASP HB2 H 1 2.46 . . 2 . . . . . . . . 4080 1 166 . 1 1 30 30 ASP HB3 H 1 1.46 . . 2 . . . . . . . . 4080 1 167 . 1 1 30 30 ASP CB C 13 38.9 . . 1 . . . . . . . . 4080 1 168 . 1 1 31 31 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 4080 1 169 . 1 1 31 31 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 4080 1 170 . 1 1 31 31 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 4080 1 171 . 1 1 31 31 ALA CB C 13 19.9 . . 1 . . . . . . . . 4080 1 172 . 1 1 32 32 ASP HB2 H 1 3.11 . . 2 . . . . . . . . 4080 1 173 . 1 1 32 32 ASP HB3 H 1 2.72 . . 2 . . . . . . . . 4080 1 174 . 1 1 32 32 ASP CB C 13 40.2 . . 1 . . . . . . . . 4080 1 175 . 1 1 36 36 ASP HB2 H 1 3.04 . . 2 . . . . . . . . 4080 1 176 . 1 1 36 36 ASP HB3 H 1 2.29 . . 2 . . . . . . . . 4080 1 177 . 1 1 36 36 ASP CB C 13 41.7 . . 1 . . . . . . . . 4080 1 178 . 1 1 37 37 ILE HB H 1 1.88 . . 1 . . . . . . . . 4080 1 179 . 1 1 37 37 ILE HG12 H 1 1.21 . . 1 . . . . . . . . 4080 1 180 . 1 1 37 37 ILE HG13 H 1 1.21 . . 1 . . . . . . . . 4080 1 181 . 1 1 37 37 ILE HG21 H 1 1.01 . . 1 . . . . . . . . 4080 1 182 . 1 1 37 37 ILE HG22 H 1 1.01 . . 1 . . . . . . . . 4080 1 183 . 1 1 37 37 ILE HG23 H 1 1.01 . . 1 . . . . . . . . 4080 1 184 . 1 1 37 37 ILE HD11 H 1 0.45 . . 1 . . . . . . . . 4080 1 185 . 1 1 37 37 ILE HD12 H 1 0.45 . . 1 . . . . . . . . 4080 1 186 . 1 1 37 37 ILE HD13 H 1 0.45 . . 1 . . . . . . . . 4080 1 187 . 1 1 37 37 ILE CB C 13 40.1 . . 1 . . . . . . . . 4080 1 188 . 1 1 37 37 ILE CG1 C 13 27.4 . . 2 . . . . . . . . 4080 1 189 . 1 1 37 37 ILE CG2 C 13 18.1 . . 2 . . . . . . . . 4080 1 190 . 1 1 37 37 ILE CD1 C 13 15.2 . . 1 . . . . . . . . 4080 1 191 . 1 1 38 38 SER HB2 H 1 4.48 . . 2 . . . . . . . . 4080 1 192 . 1 1 38 38 SER HB3 H 1 4.03 . . 2 . . . . . . . . 4080 1 193 . 1 1 38 38 SER CB C 13 66.8 . . 1 . . . . . . . . 4080 1 194 . 1 1 39 39 THR HB H 1 4.17 . . 1 . . . . . . . . 4080 1 195 . 1 1 39 39 THR HG21 H 1 1.36 . . 1 . . . . . . . . 4080 1 196 . 1 1 39 39 THR HG22 H 1 1.36 . . 1 . . . . . . . . 4080 1 197 . 1 1 39 39 THR HG23 H 1 1.36 . . 1 . . . . . . . . 4080 1 198 . 1 1 39 39 THR CB C 13 68.6 . . 1 . . . . . . . . 4080 1 199 . 1 1 39 39 THR CG2 C 13 23.4 . . 1 . . . . . . . . 4080 1 200 . 1 1 40 40 LYS HB2 H 1 1.93 . . 2 . . . . . . . . 4080 1 201 . 1 1 40 40 LYS HB3 H 1 1.78 . . 2 . . . . . . . . 4080 1 202 . 1 1 40 40 LYS HG2 H 1 1.47 . . 2 . . . . . . . . 4080 1 203 . 1 1 40 40 LYS HG3 H 1 1.41 . . 2 . . . . . . . . 4080 1 204 . 1 1 40 40 LYS HD2 H 1 1.70 . . 1 . . . . . . . . 4080 1 205 . 1 1 40 40 LYS HD3 H 1 1.70 . . 1 . . . . . . . . 4080 1 206 . 1 1 40 40 LYS HE2 H 1 3.00 . . 1 . . . . . . . . 4080 1 207 . 1 1 40 40 LYS HE3 H 1 3.00 . . 1 . . . . . . . . 4080 1 208 . 1 1 40 40 LYS CB C 13 33.0 . . 1 . . . . . . . . 4080 1 209 . 1 1 40 40 LYS CG C 13 25.2 . . 1 . . . . . . . . 4080 1 210 . 1 1 40 40 LYS CD C 13 29.5 . . 1 . . . . . . . . 4080 1 211 . 1 1 40 40 LYS CE C 13 42.3 . . 1 . . . . . . . . 4080 1 212 . 1 1 42 42 LEU HB2 H 1 1.94 . . 2 . . . . . . . . 4080 1 213 . 1 1 42 42 LEU HB3 H 1 1.50 . . 2 . . . . . . . . 4080 1 214 . 1 1 42 42 LEU HG H 1 1.61 . . 1 . . . . . . . . 4080 1 215 . 1 1 42 42 LEU HD11 H 1 0.85 . . 1 . . . . . . . . 4080 1 216 . 1 1 42 42 LEU HD12 H 1 0.85 . . 1 . . . . . . . . 4080 1 217 . 1 1 42 42 LEU HD13 H 1 0.85 . . 1 . . . . . . . . 4080 1 218 . 1 1 42 42 LEU HD21 H 1 0.85 . . 1 . . . . . . . . 4080 1 219 . 1 1 42 42 LEU HD22 H 1 0.85 . . 1 . . . . . . . . 4080 1 220 . 1 1 42 42 LEU HD23 H 1 0.85 . . 1 . . . . . . . . 4080 1 221 . 1 1 42 42 LEU CB C 13 42.7 . . 1 . . . . . . . . 4080 1 222 . 1 1 42 42 LEU CG C 13 27.0 . . 1 . . . . . . . . 4080 1 223 . 1 1 42 42 LEU CD1 C 13 26.2 . . 2 . . . . . . . . 4080 1 224 . 1 1 42 42 LEU CD2 C 13 23.1 . . 2 . . . . . . . . 4080 1 225 . 1 1 44 44 THR HB H 1 4.35 . . 1 . . . . . . . . 4080 1 226 . 1 1 44 44 THR HG21 H 1 1.27 . . 1 . . . . . . . . 4080 1 227 . 1 1 44 44 THR HG22 H 1 1.27 . . 1 . . . . . . . . 4080 1 228 . 1 1 44 44 THR HG23 H 1 1.27 . . 1 . . . . . . . . 4080 1 229 . 1 1 44 44 THR CB C 13 69.2 . . 1 . . . . . . . . 4080 1 230 . 1 1 44 44 THR CG2 C 13 21.6 . . 1 . . . . . . . . 4080 1 231 . 1 1 45 45 VAL HB H 1 1.95 . . 1 . . . . . . . . 4080 1 232 . 1 1 45 45 VAL HG11 H 1 0.66 . . 2 . . . . . . . . 4080 1 233 . 1 1 45 45 VAL HG12 H 1 0.66 . . 2 . . . . . . . . 4080 1 234 . 1 1 45 45 VAL HG13 H 1 0.66 . . 2 . . . . . . . . 4080 1 235 . 1 1 45 45 VAL HG21 H 1 0.36 . . 2 . . . . . . . . 4080 1 236 . 1 1 45 45 VAL HG22 H 1 0.36 . . 2 . . . . . . . . 4080 1 237 . 1 1 45 45 VAL HG23 H 1 0.36 . . 2 . . . . . . . . 4080 1 238 . 1 1 45 45 VAL CB C 13 31.7 . . 1 . . . . . . . . 4080 1 239 . 1 1 45 45 VAL CG1 C 13 23.0 . . 2 . . . . . . . . 4080 1 240 . 1 1 45 45 VAL CG2 C 13 20.8 . . 2 . . . . . . . . 4080 1 241 . 1 1 46 46 MET HB2 H 1 2.07 . . 2 . . . . . . . . 4080 1 242 . 1 1 46 46 MET HB3 H 1 1.81 . . 2 . . . . . . . . 4080 1 243 . 1 1 46 46 MET HG2 H 1 2.71 . . 2 . . . . . . . . 4080 1 244 . 1 1 46 46 MET HG3 H 1 2.49 . . 2 . . . . . . . . 4080 1 245 . 1 1 46 46 MET HE1 H 1 1.93 . . 1 . . . . . . . . 4080 1 246 . 1 1 46 46 MET HE2 H 1 1.93 . . 1 . . . . . . . . 4080 1 247 . 1 1 46 46 MET HE3 H 1 1.93 . . 1 . . . . . . . . 4080 1 248 . 1 1 46 46 MET CB C 13 30.4 . . 1 . . . . . . . . 4080 1 249 . 1 1 46 46 MET CG C 13 33.5 . . 1 . . . . . . . . 4080 1 250 . 1 1 46 46 MET CE C 13 17.3 . . 1 . . . . . . . . 4080 1 251 . 1 1 47 47 ARG HB2 H 1 1.99 . . 2 . . . . . . . . 4080 1 252 . 1 1 47 47 ARG HB3 H 1 1.94 . . 2 . . . . . . . . 4080 1 253 . 1 1 47 47 ARG HG2 H 1 1.93 . . 2 . . . . . . . . 4080 1 254 . 1 1 47 47 ARG HG3 H 1 1.81 . . 2 . . . . . . . . 4080 1 255 . 1 1 47 47 ARG HD2 H 1 3.23 . . 1 . . . . . . . . 4080 1 256 . 1 1 47 47 ARG HD3 H 1 3.23 . . 1 . . . . . . . . 4080 1 257 . 1 1 47 47 ARG CB C 13 30.3 . . 1 . . . . . . . . 4080 1 258 . 1 1 47 47 ARG CG C 13 28.9 . . 1 . . . . . . . . 4080 1 259 . 1 1 47 47 ARG CD C 13 43.7 . . 1 . . . . . . . . 4080 1 260 . 1 1 48 48 MET HB2 H 1 2.38 . . 2 . . . . . . . . 4080 1 261 . 1 1 48 48 MET HB3 H 1 2.27 . . 2 . . . . . . . . 4080 1 262 . 1 1 48 48 MET HG2 H 1 2.78 . . 2 . . . . . . . . 4080 1 263 . 1 1 48 48 MET HG3 H 1 2.66 . . 2 . . . . . . . . 4080 1 264 . 1 1 48 48 MET HE1 H 1 2.20 . . 1 . . . . . . . . 4080 1 265 . 1 1 48 48 MET HE2 H 1 2.20 . . 1 . . . . . . . . 4080 1 266 . 1 1 48 48 MET HE3 H 1 2.20 . . 1 . . . . . . . . 4080 1 267 . 1 1 48 48 MET CB C 13 32.2 . . 1 . . . . . . . . 4080 1 268 . 1 1 48 48 MET CG C 13 32.2 . . 1 . . . . . . . . 4080 1 269 . 1 1 48 48 MET CE C 13 17.3 . . 1 . . . . . . . . 4080 1 270 . 1 1 49 49 LEU HB2 H 1 1.90 . . 2 . . . . . . . . 4080 1 271 . 1 1 49 49 LEU HB3 H 1 1.78 . . 2 . . . . . . . . 4080 1 272 . 1 1 49 49 LEU HD11 H 1 0.86 . . 1 . . . . . . . . 4080 1 273 . 1 1 49 49 LEU HD12 H 1 0.86 . . 1 . . . . . . . . 4080 1 274 . 1 1 49 49 LEU HD13 H 1 0.86 . . 1 . . . . . . . . 4080 1 275 . 1 1 49 49 LEU HD21 H 1 0.86 . . 1 . . . . . . . . 4080 1 276 . 1 1 49 49 LEU HD22 H 1 0.86 . . 1 . . . . . . . . 4080 1 277 . 1 1 49 49 LEU HD23 H 1 0.86 . . 1 . . . . . . . . 4080 1 278 . 1 1 49 49 LEU CB C 13 42.2 . . 1 . . . . . . . . 4080 1 279 . 1 1 49 49 LEU CD1 C 13 21.7 . . 1 . . . . . . . . 4080 1 280 . 1 1 49 49 LEU CD2 C 13 21.7 . . 1 . . . . . . . . 4080 1 281 . 1 1 51 51 GLN HB2 H 1 2.15 . . 2 . . . . . . . . 4080 1 282 . 1 1 51 51 GLN HB3 H 1 1.66 . . 2 . . . . . . . . 4080 1 283 . 1 1 51 51 GLN HG2 H 1 2.23 . . 1 . . . . . . . . 4080 1 284 . 1 1 51 51 GLN HG3 H 1 2.23 . . 1 . . . . . . . . 4080 1 285 . 1 1 51 51 GLN HE21 H 1 7.18 . . 2 . . . . . . . . 4080 1 286 . 1 1 51 51 GLN HE22 H 1 6.65 . . 2 . . . . . . . . 4080 1 287 . 1 1 51 51 GLN CB C 13 30.5 . . 1 . . . . . . . . 4080 1 288 . 1 1 51 51 GLN CG C 13 33.1 . . 1 . . . . . . . . 4080 1 289 . 1 1 51 51 GLN CD C 13 182.6 . . 1 . . . . . . . . 4080 1 290 . 1 1 51 51 GLN NE2 N 15 112.52 . . 1 . . . . . . . . 4080 1 291 . 1 1 52 52 ASN HB2 H 1 2.82 . . 2 . . . . . . . . 4080 1 292 . 1 1 52 52 ASN HB3 H 1 2.53 . . 2 . . . . . . . . 4080 1 293 . 1 1 52 52 ASN HD21 H 1 7.48 . . 2 . . . . . . . . 4080 1 294 . 1 1 52 52 ASN HD22 H 1 6.69 . . 2 . . . . . . . . 4080 1 295 . 1 1 52 52 ASN CB C 13 39.6 . . 1 . . . . . . . . 4080 1 296 . 1 1 52 52 ASN CG C 13 176.7 . . 1 . . . . . . . . 4080 1 297 . 1 1 52 52 ASN ND2 N 15 113.18 . . 1 . . . . . . . . 4080 1 298 . 1 1 53 53 PRO HB2 H 1 2.18 . . 2 . . . . . . . . 4080 1 299 . 1 1 53 53 PRO HB3 H 1 1.96 . . 2 . . . . . . . . 4080 1 300 . 1 1 53 53 PRO HG2 H 1 2.02 . . 1 . . . . . . . . 4080 1 301 . 1 1 53 53 PRO HG3 H 1 2.02 . . 1 . . . . . . . . 4080 1 302 . 1 1 53 53 PRO HD2 H 1 3.67 . . 2 . . . . . . . . 4080 1 303 . 1 1 53 53 PRO HD3 H 1 3.27 . . 2 . . . . . . . . 4080 1 304 . 1 1 53 53 PRO CB C 13 32.6 . . 1 . . . . . . . . 4080 1 305 . 1 1 53 53 PRO CD C 13 50.5 . . 1 . . . . . . . . 4080 1 306 . 1 1 54 54 THR HB H 1 4.71 . . 1 . . . . . . . . 4080 1 307 . 1 1 54 54 THR HG21 H 1 1.36 . . 1 . . . . . . . . 4080 1 308 . 1 1 54 54 THR HG22 H 1 1.36 . . 1 . . . . . . . . 4080 1 309 . 1 1 54 54 THR HG23 H 1 1.36 . . 1 . . . . . . . . 4080 1 310 . 1 1 54 54 THR CB C 13 72.0 . . 1 . . . . . . . . 4080 1 311 . 1 1 54 54 THR CG2 C 13 22.3 . . 1 . . . . . . . . 4080 1 312 . 1 1 55 55 LYS HB2 H 1 1.96 . . 2 . . . . . . . . 4080 1 313 . 1 1 55 55 LYS HB3 H 1 1.80 . . 2 . . . . . . . . 4080 1 314 . 1 1 55 55 LYS HG2 H 1 1.50 . . 1 . . . . . . . . 4080 1 315 . 1 1 55 55 LYS HG3 H 1 1.50 . . 1 . . . . . . . . 4080 1 316 . 1 1 55 55 LYS HD2 H 1 1.72 . . 1 . . . . . . . . 4080 1 317 . 1 1 55 55 LYS HD3 H 1 1.72 . . 1 . . . . . . . . 4080 1 318 . 1 1 55 55 LYS HE2 H 1 2.99 . . 1 . . . . . . . . 4080 1 319 . 1 1 55 55 LYS HE3 H 1 2.99 . . 1 . . . . . . . . 4080 1 320 . 1 1 55 55 LYS CB C 13 32.6 . . 1 . . . . . . . . 4080 1 321 . 1 1 55 55 LYS CG C 13 25.2 . . 1 . . . . . . . . 4080 1 322 . 1 1 55 55 LYS CD C 13 29.5 . . 1 . . . . . . . . 4080 1 323 . 1 1 55 55 LYS CE C 13 41.8 . . 1 . . . . . . . . 4080 1 324 . 1 1 56 56 GLU HB2 H 1 2.81 . . 2 . . . . . . . . 4080 1 325 . 1 1 56 56 GLU HB3 H 1 1.95 . . 2 . . . . . . . . 4080 1 326 . 1 1 56 56 GLU HG2 H 1 2.50 . . 1 . . . . . . . . 4080 1 327 . 1 1 56 56 GLU HG3 H 1 2.30 . . 2 . . . . . . . . 4080 1 328 . 1 1 56 56 GLU CG C 13 37.4 . . 1 . . . . . . . . 4080 1 329 . 1 1 58 58 LEU HB2 H 1 2.12 . . 1 . . . . . . . . 4080 1 330 . 1 1 58 58 LEU HB3 H 1 2.12 . . 1 . . . . . . . . 4080 1 331 . 1 1 58 58 LEU HG H 1 1.80 . . 1 . . . . . . . . 4080 1 332 . 1 1 58 58 LEU HD11 H 1 0.84 . . 2 . . . . . . . . 4080 1 333 . 1 1 58 58 LEU HD12 H 1 0.84 . . 2 . . . . . . . . 4080 1 334 . 1 1 58 58 LEU HD13 H 1 0.84 . . 2 . . . . . . . . 4080 1 335 . 1 1 58 58 LEU HD21 H 1 0.79 . . 2 . . . . . . . . 4080 1 336 . 1 1 58 58 LEU HD22 H 1 0.79 . . 2 . . . . . . . . 4080 1 337 . 1 1 58 58 LEU HD23 H 1 0.79 . . 2 . . . . . . . . 4080 1 338 . 1 1 58 58 LEU CG C 13 27.8 . . 1 . . . . . . . . 4080 1 339 . 1 1 58 58 LEU CD1 C 13 27.0 . . 2 . . . . . . . . 4080 1 340 . 1 1 58 58 LEU CD2 C 13 22.6 . . 2 . . . . . . . . 4080 1 341 . 1 1 59 59 ASP HB2 H 1 2.73 . . 2 . . . . . . . . 4080 1 342 . 1 1 59 59 ASP HB3 H 1 2.62 . . 2 . . . . . . . . 4080 1 343 . 1 1 59 59 ASP CB C 13 40.5 . . 1 . . . . . . . . 4080 1 344 . 1 1 60 60 ALA HB1 H 1 1.53 . . 1 . . . . . . . . 4080 1 345 . 1 1 60 60 ALA HB2 H 1 1.53 . . 1 . . . . . . . . 4080 1 346 . 1 1 60 60 ALA HB3 H 1 1.53 . . 1 . . . . . . . . 4080 1 347 . 1 1 60 60 ALA CB C 13 18.3 . . 1 . . . . . . . . 4080 1 348 . 1 1 61 61 ILE HB H 1 1.96 . . 1 . . . . . . . . 4080 1 349 . 1 1 61 61 ILE HG12 H 1 1.84 . . 2 . . . . . . . . 4080 1 350 . 1 1 61 61 ILE HG13 H 1 1.15 . . 2 . . . . . . . . 4080 1 351 . 1 1 61 61 ILE HG21 H 1 0.82 . . 1 . . . . . . . . 4080 1 352 . 1 1 61 61 ILE HG22 H 1 0.82 . . 1 . . . . . . . . 4080 1 353 . 1 1 61 61 ILE HG23 H 1 0.82 . . 1 . . . . . . . . 4080 1 354 . 1 1 61 61 ILE HD11 H 1 0.89 . . 1 . . . . . . . . 4080 1 355 . 1 1 61 61 ILE HD12 H 1 0.89 . . 1 . . . . . . . . 4080 1 356 . 1 1 61 61 ILE HD13 H 1 0.89 . . 1 . . . . . . . . 4080 1 357 . 1 1 61 61 ILE CB C 13 38.4 . . 1 . . . . . . . . 4080 1 358 . 1 1 61 61 ILE CG1 C 13 30.5 . . 1 . . . . . . . . 4080 1 359 . 1 1 61 61 ILE CG2 C 13 17.3 . . 1 . . . . . . . . 4080 1 360 . 1 1 61 61 ILE CD1 C 13 13.0 . . 1 . . . . . . . . 4080 1 361 . 1 1 62 62 ILE HB H 1 2.04 . . 1 . . . . . . . . 4080 1 362 . 1 1 62 62 ILE HG12 H 1 1.68 . . 2 . . . . . . . . 4080 1 363 . 1 1 62 62 ILE HG13 H 1 1.17 . . 2 . . . . . . . . 4080 1 364 . 1 1 62 62 ILE HG21 H 1 0.72 . . 1 . . . . . . . . 4080 1 365 . 1 1 62 62 ILE HG22 H 1 0.72 . . 1 . . . . . . . . 4080 1 366 . 1 1 62 62 ILE HG23 H 1 0.72 . . 1 . . . . . . . . 4080 1 367 . 1 1 62 62 ILE HD11 H 1 0.73 . . 1 . . . . . . . . 4080 1 368 . 1 1 62 62 ILE HD12 H 1 0.73 . . 1 . . . . . . . . 4080 1 369 . 1 1 62 62 ILE HD13 H 1 0.73 . . 1 . . . . . . . . 4080 1 370 . 1 1 62 62 ILE CB C 13 37.1 . . 1 . . . . . . . . 4080 1 371 . 1 1 62 62 ILE CG1 C 13 29.5 . . 2 . . . . . . . . 4080 1 372 . 1 1 62 62 ILE CG2 C 13 17.0 . . 2 . . . . . . . . 4080 1 373 . 1 1 62 62 ILE CD1 C 13 12.1 . . 1 . . . . . . . . 4080 1 374 . 1 1 63 63 GLU HB2 H 1 2.16 . . 2 . . . . . . . . 4080 1 375 . 1 1 63 63 GLU HB3 H 1 2.08 . . 2 . . . . . . . . 4080 1 376 . 1 1 63 63 GLU CB C 13 29.6 . . 1 . . . . . . . . 4080 1 377 . 1 1 64 64 GLU HB2 H 1 2.15 . . 2 . . . . . . . . 4080 1 378 . 1 1 64 64 GLU HB3 H 1 2.09 . . 2 . . . . . . . . 4080 1 379 . 1 1 64 64 GLU HG2 H 1 2.64 . . 1 . . . . . . . . 4080 1 380 . 1 1 64 64 GLU HG3 H 1 2.58 . . 2 . . . . . . . . 4080 1 381 . 1 1 64 64 GLU CB C 13 33.5 . . 1 . . . . . . . . 4080 1 382 . 1 1 65 65 VAL HB H 1 2.26 . . 1 . . . . . . . . 4080 1 383 . 1 1 65 65 VAL HG11 H 1 0.92 . . 2 . . . . . . . . 4080 1 384 . 1 1 65 65 VAL HG12 H 1 0.92 . . 2 . . . . . . . . 4080 1 385 . 1 1 65 65 VAL HG13 H 1 0.92 . . 2 . . . . . . . . 4080 1 386 . 1 1 65 65 VAL HG21 H 1 0.97 . . 2 . . . . . . . . 4080 1 387 . 1 1 65 65 VAL HG22 H 1 0.97 . . 2 . . . . . . . . 4080 1 388 . 1 1 65 65 VAL HG23 H 1 0.97 . . 2 . . . . . . . . 4080 1 389 . 1 1 65 65 VAL CB C 13 33.5 . . 1 . . . . . . . . 4080 1 390 . 1 1 65 65 VAL CG1 C 13 22.6 . . 2 . . . . . . . . 4080 1 391 . 1 1 65 65 VAL CG2 C 13 20.4 . . 2 . . . . . . . . 4080 1 392 . 1 1 66 66 ASP HB2 H 1 2.69 . . 1 . . . . . . . . 4080 1 393 . 1 1 66 66 ASP HB3 H 1 2.69 . . 1 . . . . . . . . 4080 1 394 . 1 1 66 66 ASP CB C 13 41.4 . . 1 . . . . . . . . 4080 1 395 . 1 1 67 67 GLU HB2 H 1 2.24 . . 2 . . . . . . . . 4080 1 396 . 1 1 67 67 GLU HB3 H 1 2.06 . . 2 . . . . . . . . 4080 1 397 . 1 1 67 67 GLU HG2 H 1 2.32 . . 2 . . . . . . . . 4080 1 398 . 1 1 67 67 GLU HG3 H 1 2.24 . . 2 . . . . . . . . 4080 1 399 . 1 1 68 68 ASP HB2 H 1 3.13 . . 2 . . . . . . . . 4080 1 400 . 1 1 68 68 ASP HB3 H 1 2.76 . . 2 . . . . . . . . 4080 1 401 . 1 1 68 68 ASP CB C 13 40.9 . . 1 . . . . . . . . 4080 1 402 . 1 1 70 70 SER HB2 H 1 4.22 . . 2 . . . . . . . . 4080 1 403 . 1 1 70 70 SER HB3 H 1 4.03 . . 2 . . . . . . . . 4080 1 404 . 1 1 70 70 SER CB C 13 65.0 . . 1 . . . . . . . . 4080 1 405 . 1 1 72 72 THR HB H 1 3.68 . . 1 . . . . . . . . 4080 1 406 . 1 1 72 72 THR HG21 H 1 1.04 . . 1 . . . . . . . . 4080 1 407 . 1 1 72 72 THR HG22 H 1 1.04 . . 1 . . . . . . . . 4080 1 408 . 1 1 72 72 THR HG23 H 1 1.04 . . 1 . . . . . . . . 4080 1 409 . 1 1 72 72 THR CB C 13 73.8 . . 1 . . . . . . . . 4080 1 410 . 1 1 72 72 THR CG2 C 13 22.6 . . 1 . . . . . . . . 4080 1 411 . 1 1 73 73 ILE HB H 1 2.04 . . 1 . . . . . . . . 4080 1 412 . 1 1 73 73 ILE HG12 H 1 1.59 . . 2 . . . . . . . . 4080 1 413 . 1 1 73 73 ILE HG13 H 1 0.90 . . 2 . . . . . . . . 4080 1 414 . 1 1 73 73 ILE HG21 H 1 1.29 . . 1 . . . . . . . . 4080 1 415 . 1 1 73 73 ILE HG22 H 1 1.29 . . 1 . . . . . . . . 4080 1 416 . 1 1 73 73 ILE HG23 H 1 1.29 . . 1 . . . . . . . . 4080 1 417 . 1 1 73 73 ILE HD11 H 1 0.86 . . 1 . . . . . . . . 4080 1 418 . 1 1 73 73 ILE HD12 H 1 0.86 . . 1 . . . . . . . . 4080 1 419 . 1 1 73 73 ILE HD13 H 1 0.86 . . 1 . . . . . . . . 4080 1 420 . 1 1 73 73 ILE CB C 13 40.6 . . 1 . . . . . . . . 4080 1 421 . 1 1 73 73 ILE CG1 C 13 27.1 . . 2 . . . . . . . . 4080 1 422 . 1 1 73 73 ILE CG2 C 13 18.5 . . 2 . . . . . . . . 4080 1 423 . 1 1 73 73 ILE CD1 C 13 14.1 . . 1 . . . . . . . . 4080 1 424 . 1 1 74 74 ASP HB2 H 1 3.38 . . 2 . . . . . . . . 4080 1 425 . 1 1 74 74 ASP HB3 H 1 2.81 . . 2 . . . . . . . . 4080 1 426 . 1 1 74 74 ASP CB C 13 41.8 . . 1 . . . . . . . . 4080 1 427 . 1 1 75 75 PHE HB2 H 1 2.48 . . 2 . . . . . . . . 4080 1 428 . 1 1 75 75 PHE HB3 H 1 2.08 . . 2 . . . . . . . . 4080 1 429 . 1 1 75 75 PHE HD1 H 1 6.70 . . 1 . . . . . . . . 4080 1 430 . 1 1 75 75 PHE HD2 H 1 6.70 . . 1 . . . . . . . . 4080 1 431 . 1 1 75 75 PHE HE1 H 1 7.11 . . 1 . . . . . . . . 4080 1 432 . 1 1 75 75 PHE HE2 H 1 7.11 . . 1 . . . . . . . . 4080 1 433 . 1 1 75 75 PHE HZ H 1 7.39 . . 1 . . . . . . . . 4080 1 434 . 1 1 75 75 PHE CB C 13 38.8 . . 1 . . . . . . . . 4080 1 435 . 1 1 76 76 GLU HB2 H 1 1.96 . . 2 . . . . . . . . 4080 1 436 . 1 1 76 76 GLU HB3 H 1 1.89 . . 2 . . . . . . . . 4080 1 437 . 1 1 78 78 PHE HB2 H 1 3.44 . . 2 . . . . . . . . 4080 1 438 . 1 1 78 78 PHE HB3 H 1 3.23 . . 2 . . . . . . . . 4080 1 439 . 1 1 78 78 PHE HD1 H 1 7.04 . . 1 . . . . . . . . 4080 1 440 . 1 1 78 78 PHE HD2 H 1 7.04 . . 1 . . . . . . . . 4080 1 441 . 1 1 78 78 PHE HE1 H 1 7.28 . . 1 . . . . . . . . 4080 1 442 . 1 1 78 78 PHE HE2 H 1 7.28 . . 1 . . . . . . . . 4080 1 443 . 1 1 78 78 PHE CB C 13 40.4 . . 1 . . . . . . . . 4080 1 444 . 1 1 79 79 LEU HB2 H 1 1.64 . . 2 . . . . . . . . 4080 1 445 . 1 1 79 79 LEU HB3 H 1 1.13 . . 2 . . . . . . . . 4080 1 446 . 1 1 79 79 LEU HG H 1 1.16 . . 1 . . . . . . . . 4080 1 447 . 1 1 79 79 LEU HD11 H 1 0.57 . . 2 . . . . . . . . 4080 1 448 . 1 1 79 79 LEU HD12 H 1 0.57 . . 2 . . . . . . . . 4080 1 449 . 1 1 79 79 LEU HD13 H 1 0.57 . . 2 . . . . . . . . 4080 1 450 . 1 1 79 79 LEU HD21 H 1 0.67 . . 2 . . . . . . . . 4080 1 451 . 1 1 79 79 LEU HD22 H 1 0.67 . . 2 . . . . . . . . 4080 1 452 . 1 1 79 79 LEU HD23 H 1 0.67 . . 2 . . . . . . . . 4080 1 453 . 1 1 79 79 LEU CG C 13 26.4 . . 1 . . . . . . . . 4080 1 454 . 1 1 79 79 LEU CD1 C 13 25.6 . . 2 . . . . . . . . 4080 1 455 . 1 1 79 79 LEU CD2 C 13 24.4 . . 2 . . . . . . . . 4080 1 456 . 1 1 80 80 VAL HB H 1 2.23 . . 1 . . . . . . . . 4080 1 457 . 1 1 80 80 VAL HG11 H 1 1.05 . . 2 . . . . . . . . 4080 1 458 . 1 1 80 80 VAL HG12 H 1 1.05 . . 2 . . . . . . . . 4080 1 459 . 1 1 80 80 VAL HG13 H 1 1.05 . . 2 . . . . . . . . 4080 1 460 . 1 1 80 80 VAL HG21 H 1 0.88 . . 2 . . . . . . . . 4080 1 461 . 1 1 80 80 VAL HG22 H 1 0.88 . . 2 . . . . . . . . 4080 1 462 . 1 1 80 80 VAL HG23 H 1 0.88 . . 2 . . . . . . . . 4080 1 463 . 1 1 80 80 VAL CB C 13 31.7 . . 1 . . . . . . . . 4080 1 464 . 1 1 80 80 VAL CG1 C 13 23.4 . . 2 . . . . . . . . 4080 1 465 . 1 1 80 80 VAL CG2 C 13 21.6 . . 2 . . . . . . . . 4080 1 466 . 1 1 81 81 MET HB2 H 1 2.25 . . 2 . . . . . . . . 4080 1 467 . 1 1 81 81 MET HB3 H 1 2.01 . . 2 . . . . . . . . 4080 1 468 . 1 1 82 82 MET HB2 H 1 1.51 . . 2 . . . . . . . . 4080 1 469 . 1 1 82 82 MET HB3 H 1 1.22 . . 2 . . . . . . . . 4080 1 470 . 1 1 82 82 MET CB C 13 32.1 . . 1 . . . . . . . . 4080 1 471 . 1 1 83 83 VAL HB H 1 2.08 . . 1 . . . . . . . . 4080 1 472 . 1 1 83 83 VAL HG11 H 1 1.08 . . 2 . . . . . . . . 4080 1 473 . 1 1 83 83 VAL HG12 H 1 1.08 . . 2 . . . . . . . . 4080 1 474 . 1 1 83 83 VAL HG13 H 1 1.08 . . 2 . . . . . . . . 4080 1 475 . 1 1 83 83 VAL HG21 H 1 0.78 . . 2 . . . . . . . . 4080 1 476 . 1 1 83 83 VAL HG22 H 1 0.78 . . 2 . . . . . . . . 4080 1 477 . 1 1 83 83 VAL HG23 H 1 0.78 . . 2 . . . . . . . . 4080 1 478 . 1 1 83 83 VAL CB C 13 31.7 . . 1 . . . . . . . . 4080 1 479 . 1 1 83 83 VAL CG1 C 13 23.9 . . 2 . . . . . . . . 4080 1 480 . 1 1 83 83 VAL CG2 C 13 21.7 . . 2 . . . . . . . . 4080 1 481 . 1 1 84 84 ARG HB2 H 1 1.88 . . 1 . . . . . . . . 4080 1 482 . 1 1 84 84 ARG HB3 H 1 1.88 . . 1 . . . . . . . . 4080 1 483 . 1 1 84 84 ARG HG2 H 1 1.74 . . 2 . . . . . . . . 4080 1 484 . 1 1 84 84 ARG HG3 H 1 1.62 . . 2 . . . . . . . . 4080 1 485 . 1 1 84 84 ARG HD2 H 1 3.18 . . 1 . . . . . . . . 4080 1 486 . 1 1 84 84 ARG HD3 H 1 3.18 . . 1 . . . . . . . . 4080 1 487 . 1 1 84 84 ARG CB C 13 30.0 . . 1 . . . . . . . . 4080 1 488 . 1 1 84 84 ARG CG C 13 28.3 . . 1 . . . . . . . . 4080 1 489 . 1 1 84 84 ARG CD C 13 43.6 . . 1 . . . . . . . . 4080 1 490 . 1 1 85 85 GLN HB2 H 1 2.17 . . 1 . . . . . . . . 4080 1 491 . 1 1 85 85 GLN HB3 H 1 2.17 . . 1 . . . . . . . . 4080 1 492 . 1 1 85 85 GLN HG2 H 1 2.44 . . 2 . . . . . . . . 4080 1 493 . 1 1 85 85 GLN HG3 H 1 2.36 . . 2 . . . . . . . . 4080 1 494 . 1 1 85 85 GLN HE21 H 1 7.24 . . 2 . . . . . . . . 4080 1 495 . 1 1 85 85 GLN HE22 H 1 6.50 . . 2 . . . . . . . . 4080 1 496 . 1 1 85 85 GLN CB C 13 28.7 . . 1 . . . . . . . . 4080 1 497 . 1 1 85 85 GLN CG C 13 34.3 . . 1 . . . . . . . . 4080 1 498 . 1 1 85 85 GLN CD C 13 182.0 . . 1 . . . . . . . . 4080 1 499 . 1 1 85 85 GLN NE2 N 15 112.0 . . 1 . . . . . . . . 4080 1 500 . 1 1 86 86 MET HB2 H 1 2.38 . . 2 . . . . . . . . 4080 1 501 . 1 1 86 86 MET HB3 H 1 2.27 . . 2 . . . . . . . . 4080 1 502 . 1 1 86 86 MET HG2 H 1 2.77 . . 2 . . . . . . . . 4080 1 503 . 1 1 86 86 MET HG3 H 1 2.64 . . 2 . . . . . . . . 4080 1 504 . 1 1 86 86 MET HE1 H 1 2.20 . . 1 . . . . . . . . 4080 1 505 . 1 1 86 86 MET HE2 H 1 2.20 . . 1 . . . . . . . . 4080 1 506 . 1 1 86 86 MET HE3 H 1 2.20 . . 1 . . . . . . . . 4080 1 507 . 1 1 86 86 MET CB C 13 32.2 . . 1 . . . . . . . . 4080 1 508 . 1 1 86 86 MET CG C 13 32.6 . . 1 . . . . . . . . 4080 1 509 . 1 1 86 86 MET CE C 13 17.3 . . 1 . . . . . . . . 4080 1 510 . 1 1 87 87 LYS HG2 H 1 1.27 . . 2 . . . . . . . . 4080 1 511 . 1 1 87 87 LYS HG3 H 1 1.22 . . 2 . . . . . . . . 4080 1 512 . 1 1 87 87 LYS HD2 H 1 2.48 . . 2 . . . . . . . . 4080 1 513 . 1 1 87 87 LYS HD3 H 1 2.17 . . 2 . . . . . . . . 4080 1 514 . 1 1 87 87 LYS CG C 13 26.1 . . 1 . . . . . . . . 4080 1 515 . 1 1 88 88 GLU HB2 H 1 2.07 . . 2 . . . . . . . . 4080 1 516 . 1 1 88 88 GLU HB3 H 1 1.87 . . 2 . . . . . . . . 4080 1 517 . 1 1 89 89 ASP HB2 H 1 2.76 . . 2 . . . . . . . . 4080 1 518 . 1 1 89 89 ASP HB3 H 1 2.69 . . 2 . . . . . . . . 4080 1 519 . 1 1 89 89 ASP CB C 13 41.0 . . 1 . . . . . . . . 4080 1 520 . 1 1 90 90 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 4080 1 521 . 1 1 90 90 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 4080 1 522 . 1 1 90 90 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 4080 1 523 . 1 1 91 91 LYS HB2 H 1 2.26 . . 2 . . . . . . . . 4080 1 524 . 1 1 91 91 LYS HB3 H 1 2.15 . . 2 . . . . . . . . 4080 1 525 . 1 1 91 91 LYS HG2 H 1 2.44 . . 2 . . . . . . . . 4080 1 526 . 1 1 91 91 LYS HG3 H 1 2.35 . . 2 . . . . . . . . 4080 1 527 . 1 1 91 91 LYS CB C 13 30.0 . . 1 . . . . . . . . 4080 1 528 . 1 1 93 93 LYS HB2 H 1 1.90 . . 2 . . . . . . . . 4080 1 529 . 1 1 93 93 LYS HB3 H 1 1.84 . . 2 . . . . . . . . 4080 1 530 . 1 1 93 93 LYS HG2 H 1 1.49 . . 1 . . . . . . . . 4080 1 531 . 1 1 93 93 LYS HG3 H 1 1.49 . . 1 . . . . . . . . 4080 1 532 . 1 1 93 93 LYS HD2 H 1 1.66 . . 2 . . . . . . . . 4080 1 533 . 1 1 93 93 LYS HD3 H 1 1.56 . . 2 . . . . . . . . 4080 1 534 . 1 1 93 93 LYS HE2 H 1 2.97 . . 1 . . . . . . . . 4080 1 535 . 1 1 93 93 LYS HE3 H 1 2.97 . . 1 . . . . . . . . 4080 1 536 . 1 1 93 93 LYS CB C 13 33.5 . . 1 . . . . . . . . 4080 1 537 . 1 1 93 93 LYS CD C 13 28.9 . . 1 . . . . . . . . 4080 1 538 . 1 1 94 94 SER HB2 H 1 4.16 . . 2 . . . . . . . . 4080 1 539 . 1 1 94 94 SER HB3 H 1 4.02 . . 2 . . . . . . . . 4080 1 540 . 1 1 94 94 SER CB C 13 64.3 . . 1 . . . . . . . . 4080 1 541 . 1 1 95 95 GLU HB2 H 1 2.18 . . 1 . . . . . . . . 4080 1 542 . 1 1 95 95 GLU HB3 H 1 2.18 . . 1 . . . . . . . . 4080 1 543 . 1 1 97 97 GLU HB2 H 1 2.26 . . 1 . . . . . . . . 4080 1 544 . 1 1 97 97 GLU HB3 H 1 2.26 . . 1 . . . . . . . . 4080 1 545 . 1 1 98 98 LEU HB2 H 1 2.23 . . 2 . . . . . . . . 4080 1 546 . 1 1 98 98 LEU HB3 H 1 2.06 . . 2 . . . . . . . . 4080 1 547 . 1 1 98 98 LEU HG H 1 1.83 . . 1 . . . . . . . . 4080 1 548 . 1 1 98 98 LEU HD11 H 1 0.83 . . 1 . . . . . . . . 4080 1 549 . 1 1 98 98 LEU HD12 H 1 0.83 . . 1 . . . . . . . . 4080 1 550 . 1 1 98 98 LEU HD13 H 1 0.83 . . 1 . . . . . . . . 4080 1 551 . 1 1 98 98 LEU HD21 H 1 0.83 . . 1 . . . . . . . . 4080 1 552 . 1 1 98 98 LEU HD22 H 1 0.83 . . 1 . . . . . . . . 4080 1 553 . 1 1 98 98 LEU HD23 H 1 0.83 . . 1 . . . . . . . . 4080 1 554 . 1 1 98 98 LEU CG C 13 26.6 . . 1 . . . . . . . . 4080 1 555 . 1 1 98 98 LEU CD1 C 13 25.6 . . 1 . . . . . . . . 4080 1 556 . 1 1 98 98 LEU CD2 C 13 25.6 . . 1 . . . . . . . . 4080 1 557 . 1 1 99 99 ALA HB1 H 1 1.40 . . 1 . . . . . . . . 4080 1 558 . 1 1 99 99 ALA HB2 H 1 1.40 . . 1 . . . . . . . . 4080 1 559 . 1 1 99 99 ALA HB3 H 1 1.40 . . 1 . . . . . . . . 4080 1 560 . 1 1 99 99 ALA CB C 13 18.6 . . 1 . . . . . . . . 4080 1 561 . 1 1 100 100 ASN HB2 H 1 3.01 . . 2 . . . . . . . . 4080 1 562 . 1 1 100 100 ASN HB3 H 1 2.86 . . 2 . . . . . . . . 4080 1 563 . 1 1 100 100 ASN HD21 H 1 7.67 . . 2 . . . . . . . . 4080 1 564 . 1 1 100 100 ASN HD22 H 1 6.94 . . 2 . . . . . . . . 4080 1 565 . 1 1 100 100 ASN CB C 13 38.4 . . 1 . . . . . . . . 4080 1 566 . 1 1 100 100 ASN CG C 13 177.7 . . 1 . . . . . . . . 4080 1 567 . 1 1 100 100 ASN ND2 N 15 114.3 . . 1 . . . . . . . . 4080 1 568 . 1 1 101 101 CYS HB2 H 1 3.38 . . 2 . . . . . . . . 4080 1 569 . 1 1 101 101 CYS HB3 H 1 3.18 . . 2 . . . . . . . . 4080 1 570 . 1 1 101 101 CYS CB C 13 35.6 . . 1 . . . . . . . . 4080 1 571 . 1 1 102 102 PHE HB2 H 1 3.14 . . 2 . . . . . . . . 4080 1 572 . 1 1 102 102 PHE HB3 H 1 2.78 . . 2 . . . . . . . . 4080 1 573 . 1 1 102 102 PHE HD1 H 1 6.44 . . 1 . . . . . . . . 4080 1 574 . 1 1 102 102 PHE HD2 H 1 6.44 . . 1 . . . . . . . . 4080 1 575 . 1 1 102 102 PHE HE1 H 1 6.93 . . 1 . . . . . . . . 4080 1 576 . 1 1 102 102 PHE HE2 H 1 6.93 . . 1 . . . . . . . . 4080 1 577 . 1 1 102 102 PHE HZ H 1 7.20 . . 1 . . . . . . . . 4080 1 578 . 1 1 102 102 PHE CB C 13 40.5 . . 1 . . . . . . . . 4080 1 579 . 1 1 103 103 ARG HB2 H 1 1.92 . . 1 . . . . . . . . 4080 1 580 . 1 1 103 103 ARG HB3 H 1 1.92 . . 1 . . . . . . . . 4080 1 581 . 1 1 103 103 ARG HG2 H 1 1.93 . . 2 . . . . . . . . 4080 1 582 . 1 1 103 103 ARG HG3 H 1 1.81 . . 2 . . . . . . . . 4080 1 583 . 1 1 103 103 ARG HD2 H 1 3.23 . . 1 . . . . . . . . 4080 1 584 . 1 1 103 103 ARG HD3 H 1 3.23 . . 1 . . . . . . . . 4080 1 585 . 1 1 103 103 ARG CB C 13 30.5 . . 1 . . . . . . . . 4080 1 586 . 1 1 103 103 ARG CG C 13 28.9 . . 1 . . . . . . . . 4080 1 587 . 1 1 103 103 ARG CD C 13 43.7 . . 1 . . . . . . . . 4080 1 588 . 1 1 104 104 ILE HB H 1 1.80 . . 1 . . . . . . . . 4080 1 589 . 1 1 104 104 ILE HG12 H 1 1.62 . . 2 . . . . . . . . 4080 1 590 . 1 1 104 104 ILE HG13 H 1 1.10 . . 2 . . . . . . . . 4080 1 591 . 1 1 104 104 ILE HG21 H 1 0.66 . . 1 . . . . . . . . 4080 1 592 . 1 1 104 104 ILE HG22 H 1 0.66 . . 1 . . . . . . . . 4080 1 593 . 1 1 104 104 ILE HG23 H 1 0.66 . . 1 . . . . . . . . 4080 1 594 . 1 1 104 104 ILE HD11 H 1 0.76 . . 1 . . . . . . . . 4080 1 595 . 1 1 104 104 ILE HD12 H 1 0.76 . . 1 . . . . . . . . 4080 1 596 . 1 1 104 104 ILE HD13 H 1 0.76 . . 1 . . . . . . . . 4080 1 597 . 1 1 104 104 ILE CB C 13 37.9 . . 1 . . . . . . . . 4080 1 598 . 1 1 104 104 ILE CG1 C 13 29.1 . . 2 . . . . . . . . 4080 1 599 . 1 1 104 104 ILE CG2 C 13 17.0 . . 2 . . . . . . . . 4080 1 600 . 1 1 104 104 ILE CD1 C 13 13.0 . . 1 . . . . . . . . 4080 1 601 . 1 1 105 105 PHE HB2 H 1 3.02 . . 2 . . . . . . . . 4080 1 602 . 1 1 105 105 PHE HB3 H 1 2.55 . . 2 . . . . . . . . 4080 1 603 . 1 1 105 105 PHE HD1 H 1 7.41 . . 1 . . . . . . . . 4080 1 604 . 1 1 105 105 PHE HD2 H 1 7.41 . . 1 . . . . . . . . 4080 1 605 . 1 1 105 105 PHE HE1 H 1 7.32 . . 1 . . . . . . . . 4080 1 606 . 1 1 105 105 PHE HE2 H 1 7.32 . . 1 . . . . . . . . 4080 1 607 . 1 1 105 105 PHE HZ H 1 7.26 . . 1 . . . . . . . . 4080 1 608 . 1 1 105 105 PHE CB C 13 38.8 . . 1 . . . . . . . . 4080 1 609 . 1 1 106 106 ASP HB2 H 1 2.47 . . 2 . . . . . . . . 4080 1 610 . 1 1 106 106 ASP HB3 H 1 1.47 . . 2 . . . . . . . . 4080 1 611 . 1 1 106 106 ASP CB C 13 39.1 . . 1 . . . . . . . . 4080 1 612 . 1 1 107 107 LYS HB2 H 1 1.92 . . 1 . . . . . . . . 4080 1 613 . 1 1 107 107 LYS HB3 H 1 1.92 . . 1 . . . . . . . . 4080 1 614 . 1 1 107 107 LYS HG2 H 1 1.66 . . 2 . . . . . . . . 4080 1 615 . 1 1 107 107 LYS HG3 H 1 1.55 . . 2 . . . . . . . . 4080 1 616 . 1 1 107 107 LYS HD2 H 1 1.80 . . 1 . . . . . . . . 4080 1 617 . 1 1 107 107 LYS HD3 H 1 1.80 . . 1 . . . . . . . . 4080 1 618 . 1 1 107 107 LYS HE2 H 1 3.07 . . 1 . . . . . . . . 4080 1 619 . 1 1 107 107 LYS HE3 H 1 3.07 . . 1 . . . . . . . . 4080 1 620 . 1 1 107 107 LYS CB C 13 33.4 . . 1 . . . . . . . . 4080 1 621 . 1 1 107 107 LYS CG C 13 25.2 . . 1 . . . . . . . . 4080 1 622 . 1 1 107 107 LYS CD C 13 29.2 . . 1 . . . . . . . . 4080 1 623 . 1 1 107 107 LYS CE C 13 42.2 . . 1 . . . . . . . . 4080 1 624 . 1 1 108 108 ASN HB2 H 1 3.30 . . 2 . . . . . . . . 4080 1 625 . 1 1 108 108 ASN HB3 H 1 2.84 . . 2 . . . . . . . . 4080 1 626 . 1 1 108 108 ASN HD21 H 1 7.79 . . 2 . . . . . . . . 4080 1 627 . 1 1 108 108 ASN HD22 H 1 6.72 . . 2 . . . . . . . . 4080 1 628 . 1 1 108 108 ASN CB C 13 37.1 . . 1 . . . . . . . . 4080 1 629 . 1 1 108 108 ASN CG C 13 179.0 . . 1 . . . . . . . . 4080 1 630 . 1 1 108 108 ASN ND2 N 15 113.6 . . 1 . . . . . . . . 4080 1 631 . 1 1 109 109 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 4080 1 632 . 1 1 109 109 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 4080 1 633 . 1 1 109 109 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 4080 1 634 . 1 1 109 109 ALA CB C 13 17.3 . . 1 . . . . . . . . 4080 1 635 . 1 1 110 110 ASP HB2 H 1 3.24 . . 2 . . . . . . . . 4080 1 636 . 1 1 110 110 ASP HB3 H 1 2.47 . . 2 . . . . . . . . 4080 1 637 . 1 1 110 110 ASP CB C 13 41.4 . . 1 . . . . . . . . 4080 1 638 . 1 1 112 112 PHE HB2 H 1 2.77 . . 2 . . . . . . . . 4080 1 639 . 1 1 112 112 PHE HB3 H 1 2.73 . . 2 . . . . . . . . 4080 1 640 . 1 1 112 112 PHE CB C 13 44.4 . . 1 . . . . . . . . 4080 1 641 . 1 1 112 112 PHE HD1 H 1 6.93 . . 1 . . . . . . . . 4080 1 642 . 1 1 112 112 PHE HD2 H 1 6.93 . . 1 . . . . . . . . 4080 1 643 . 1 1 112 112 PHE HE1 H 1 7.40 . . 1 . . . . . . . . 4080 1 644 . 1 1 112 112 PHE HE2 H 1 7.40 . . 1 . . . . . . . . 4080 1 645 . 1 1 112 112 PHE HZ H 1 7.34 . . 1 . . . . . . . . 4080 1 646 . 1 1 113 113 ILE HB H 1 1.92 . . 1 . . . . . . . . 4080 1 647 . 1 1 113 113 ILE HG12 H 1 1.05 . . 2 . . . . . . . . 4080 1 648 . 1 1 113 113 ILE HG13 H 1 0.51 . . 2 . . . . . . . . 4080 1 649 . 1 1 113 113 ILE HG21 H 1 0.92 . . 1 . . . . . . . . 4080 1 650 . 1 1 113 113 ILE HG22 H 1 0.92 . . 1 . . . . . . . . 4080 1 651 . 1 1 113 113 ILE HG23 H 1 0.92 . . 1 . . . . . . . . 4080 1 652 . 1 1 113 113 ILE HD11 H 1 0.35 . . 1 . . . . . . . . 4080 1 653 . 1 1 113 113 ILE HD12 H 1 0.35 . . 1 . . . . . . . . 4080 1 654 . 1 1 113 113 ILE HD13 H 1 0.35 . . 1 . . . . . . . . 4080 1 655 . 1 1 113 113 ILE CB C 13 39.2 . . 1 . . . . . . . . 4080 1 656 . 1 1 113 113 ILE CG1 C 13 27.4 . . 2 . . . . . . . . 4080 1 657 . 1 1 113 113 ILE CG2 C 13 18.2 . . 2 . . . . . . . . 4080 1 658 . 1 1 113 113 ILE CD1 C 13 14.2 . . 1 . . . . . . . . 4080 1 659 . 1 1 114 114 ASP HB2 H 1 3.38 . . 2 . . . . . . . . 4080 1 660 . 1 1 114 114 ASP HB3 H 1 2.58 . . 2 . . . . . . . . 4080 1 661 . 1 1 114 114 ASP CB C 13 42.3 . . 1 . . . . . . . . 4080 1 662 . 1 1 115 115 ILE HB H 1 1.92 . . 1 . . . . . . . . 4080 1 663 . 1 1 115 115 ILE HG12 H 1 1.49 . . 2 . . . . . . . . 4080 1 664 . 1 1 115 115 ILE HG13 H 1 1.40 . . 2 . . . . . . . . 4080 1 665 . 1 1 115 115 ILE HG21 H 1 1.00 . . 1 . . . . . . . . 4080 1 666 . 1 1 115 115 ILE HG22 H 1 1.00 . . 1 . . . . . . . . 4080 1 667 . 1 1 115 115 ILE HG23 H 1 1.00 . . 1 . . . . . . . . 4080 1 668 . 1 1 115 115 ILE HD11 H 1 0.92 . . 1 . . . . . . . . 4080 1 669 . 1 1 115 115 ILE HD12 H 1 0.92 . . 1 . . . . . . . . 4080 1 670 . 1 1 115 115 ILE HD13 H 1 0.92 . . 1 . . . . . . . . 4080 1 671 . 1 1 115 115 ILE CB C 13 38.8 . . 1 . . . . . . . . 4080 1 672 . 1 1 115 115 ILE CG1 C 13 30.1 . . 2 . . . . . . . . 4080 1 673 . 1 1 115 115 ILE CG2 C 13 17.7 . . 2 . . . . . . . . 4080 1 674 . 1 1 115 115 ILE CD1 C 13 14.7 . . 1 . . . . . . . . 4080 1 675 . 1 1 116 116 GLU HB2 H 1 2.17 . . 2 . . . . . . . . 4080 1 676 . 1 1 116 116 GLU HB3 H 1 1.93 . . 2 . . . . . . . . 4080 1 677 . 1 1 116 116 GLU HG2 H 1 2.32 . . 1 . . . . . . . . 4080 1 678 . 1 1 116 116 GLU HG3 H 1 2.07 . . 2 . . . . . . . . 4080 1 679 . 1 1 116 116 GLU CB C 13 30.5 . . 1 . . . . . . . . 4080 1 680 . 1 1 117 117 GLU HB2 H 1 2.48 . . 1 . . . . . . . . 4080 1 681 . 1 1 117 117 GLU HB3 H 1 2.48 . . 1 . . . . . . . . 4080 1 682 . 1 1 117 117 GLU HG2 H 1 2.85 . . 1 . . . . . . . . 4080 1 683 . 1 1 117 117 GLU HG3 H 1 2.85 . . 1 . . . . . . . . 4080 1 684 . 1 1 117 117 GLU CB C 13 30.1 . . 1 . . . . . . . . 4080 1 685 . 1 1 118 118 LEU HB2 H 1 1.81 . . 2 . . . . . . . . 4080 1 686 . 1 1 118 118 LEU HB3 H 1 1.43 . . 2 . . . . . . . . 4080 1 687 . 1 1 118 118 LEU HG H 1 1.80 . . 1 . . . . . . . . 4080 1 688 . 1 1 118 118 LEU HD11 H 1 0.86 . . 2 . . . . . . . . 4080 1 689 . 1 1 118 118 LEU HD12 H 1 0.86 . . 2 . . . . . . . . 4080 1 690 . 1 1 118 118 LEU HD13 H 1 0.86 . . 2 . . . . . . . . 4080 1 691 . 1 1 118 118 LEU HD21 H 1 0.82 . . 2 . . . . . . . . 4080 1 692 . 1 1 118 118 LEU HD22 H 1 0.82 . . 2 . . . . . . . . 4080 1 693 . 1 1 118 118 LEU HD23 H 1 0.82 . . 2 . . . . . . . . 4080 1 694 . 1 1 118 118 LEU CB C 13 41.8 . . 1 . . . . . . . . 4080 1 695 . 1 1 118 118 LEU CG C 13 27.0 . . 1 . . . . . . . . 4080 1 696 . 1 1 118 118 LEU CD1 C 13 26.0 . . 2 . . . . . . . . 4080 1 697 . 1 1 118 118 LEU CD2 C 13 23.0 . . 2 . . . . . . . . 4080 1 698 . 1 1 120 120 GLU HB2 H 1 2.25 . . 2 . . . . . . . . 4080 1 699 . 1 1 120 120 GLU HB3 H 1 2.10 . . 2 . . . . . . . . 4080 1 700 . 1 1 120 120 GLU HG2 H 1 2.41 . . 1 . . . . . . . . 4080 1 701 . 1 1 120 120 GLU HG3 H 1 2.41 . . 1 . . . . . . . . 4080 1 702 . 1 1 120 120 GLU CB C 13 29.9 . . 1 . . . . . . . . 4080 1 703 . 1 1 121 121 ILE HB H 1 1.88 . . 1 . . . . . . . . 4080 1 704 . 1 1 121 121 ILE HG12 H 1 1.31 . . 2 . . . . . . . . 4080 1 705 . 1 1 121 121 ILE HG13 H 1 0.42 . . 2 . . . . . . . . 4080 1 706 . 1 1 121 121 ILE HG21 H 1 0.46 . . 1 . . . . . . . . 4080 1 707 . 1 1 121 121 ILE HG22 H 1 0.46 . . 1 . . . . . . . . 4080 1 708 . 1 1 121 121 ILE HG23 H 1 0.46 . . 1 . . . . . . . . 4080 1 709 . 1 1 121 121 ILE HD11 H 1 0.50 . . 1 . . . . . . . . 4080 1 710 . 1 1 121 121 ILE HD12 H 1 0.50 . . 1 . . . . . . . . 4080 1 711 . 1 1 121 121 ILE HD13 H 1 0.50 . . 1 . . . . . . . . 4080 1 712 . 1 1 121 121 ILE CB C 13 37.5 . . 1 . . . . . . . . 4080 1 713 . 1 1 121 121 ILE CG1 C 13 27.8 . . 2 . . . . . . . . 4080 1 714 . 1 1 121 121 ILE CG2 C 13 16.8 . . 2 . . . . . . . . 4080 1 715 . 1 1 121 121 ILE CD1 C 13 13.2 . . 1 . . . . . . . . 4080 1 716 . 1 1 122 122 LEU HB2 H 1 1.81 . . 2 . . . . . . . . 4080 1 717 . 1 1 122 122 LEU HB3 H 1 1.47 . . 2 . . . . . . . . 4080 1 718 . 1 1 122 122 LEU HG H 1 1.82 . . 1 . . . . . . . . 4080 1 719 . 1 1 122 122 LEU HD11 H 1 0.83 . . 1 . . . . . . . . 4080 1 720 . 1 1 122 122 LEU HD12 H 1 0.83 . . 1 . . . . . . . . 4080 1 721 . 1 1 122 122 LEU HD13 H 1 0.83 . . 1 . . . . . . . . 4080 1 722 . 1 1 122 122 LEU HD21 H 1 0.83 . . 1 . . . . . . . . 4080 1 723 . 1 1 122 122 LEU HD22 H 1 0.83 . . 1 . . . . . . . . 4080 1 724 . 1 1 122 122 LEU HD23 H 1 0.83 . . 1 . . . . . . . . 4080 1 725 . 1 1 122 122 LEU CB C 13 44.4 . . 1 . . . . . . . . 4080 1 726 . 1 1 122 122 LEU CG C 13 27.8 . . 1 . . . . . . . . 4080 1 727 . 1 1 122 122 LEU CD1 C 13 25.7 . . 2 . . . . . . . . 4080 1 728 . 1 1 122 122 LEU CD2 C 13 23.9 . . 2 . . . . . . . . 4080 1 729 . 1 1 123 123 ARG HB2 H 1 1.91 . . 1 . . . . . . . . 4080 1 730 . 1 1 123 123 ARG HB3 H 1 1.91 . . 1 . . . . . . . . 4080 1 731 . 1 1 123 123 ARG HG2 H 1 1.84 . . 2 . . . . . . . . 4080 1 732 . 1 1 123 123 ARG HG3 H 1 1.60 . . 2 . . . . . . . . 4080 1 733 . 1 1 123 123 ARG HD2 H 1 3.24 . . 2 . . . . . . . . 4080 1 734 . 1 1 123 123 ARG HD3 H 1 3.18 . . 2 . . . . . . . . 4080 1 735 . 1 1 123 123 ARG CB C 13 30.6 . . 1 . . . . . . . . 4080 1 736 . 1 1 123 123 ARG CG C 13 29.2 . . 1 . . . . . . . . 4080 1 737 . 1 1 124 124 ALA HB1 H 1 1.62 . . 1 . . . . . . . . 4080 1 738 . 1 1 124 124 ALA HB2 H 1 1.62 . . 1 . . . . . . . . 4080 1 739 . 1 1 124 124 ALA HB3 H 1 1.62 . . 1 . . . . . . . . 4080 1 740 . 1 1 124 124 ALA CB C 13 18.7 . . 1 . . . . . . . . 4080 1 741 . 1 1 125 125 THR HB H 1 4.40 . . 1 . . . . . . . . 4080 1 742 . 1 1 125 125 THR HG21 H 1 1.36 . . 1 . . . . . . . . 4080 1 743 . 1 1 125 125 THR HG22 H 1 1.36 . . 1 . . . . . . . . 4080 1 744 . 1 1 125 125 THR HG23 H 1 1.36 . . 1 . . . . . . . . 4080 1 745 . 1 1 125 125 THR CB C 13 70.7 . . 1 . . . . . . . . 4080 1 746 . 1 1 125 125 THR CG2 C 13 21.3 . . 1 . . . . . . . . 4080 1 747 . 1 1 127 127 GLU HB2 H 1 1.96 . . 2 . . . . . . . . 4080 1 748 . 1 1 127 127 GLU HB3 H 1 1.75 . . 2 . . . . . . . . 4080 1 749 . 1 1 127 127 GLU HG2 H 1 2.22 . . 1 . . . . . . . . 4080 1 750 . 1 1 127 127 GLU HG3 H 1 2.16 . . 2 . . . . . . . . 4080 1 751 . 1 1 127 127 GLU CB C 13 30.9 . . 1 . . . . . . . . 4080 1 752 . 1 1 127 127 GLU CG C 13 36.1 . . 1 . . . . . . . . 4080 1 753 . 1 1 128 128 HIS HB2 H 1 3.15 . . 2 . . . . . . . . 4080 1 754 . 1 1 128 128 HIS HB3 H 1 3.07 . . 2 . . . . . . . . 4080 1 755 . 1 1 128 128 HIS CB C 13 30.0 . . 1 . . . . . . . . 4080 1 756 . 1 1 129 129 VAL HB H 1 1.96 . . 1 . . . . . . . . 4080 1 757 . 1 1 129 129 VAL HG11 H 1 0.86 . . 2 . . . . . . . . 4080 1 758 . 1 1 129 129 VAL HG12 H 1 0.86 . . 2 . . . . . . . . 4080 1 759 . 1 1 129 129 VAL HG13 H 1 0.86 . . 2 . . . . . . . . 4080 1 760 . 1 1 129 129 VAL HG21 H 1 0.80 . . 2 . . . . . . . . 4080 1 761 . 1 1 129 129 VAL HG22 H 1 0.80 . . 2 . . . . . . . . 4080 1 762 . 1 1 129 129 VAL HG23 H 1 0.80 . . 2 . . . . . . . . 4080 1 763 . 1 1 129 129 VAL CB C 13 34.0 . . 1 . . . . . . . . 4080 1 764 . 1 1 129 129 VAL CG1 C 13 22.1 . . 2 . . . . . . . . 4080 1 765 . 1 1 129 129 VAL CG2 C 13 20.8 . . 2 . . . . . . . . 4080 1 766 . 1 1 130 130 ILE HB H 1 2.13 . . 1 . . . . . . . . 4080 1 767 . 1 1 130 130 ILE HG12 H 1 1.33 . . 1 . . . . . . . . 4080 1 768 . 1 1 130 130 ILE HG13 H 1 1.33 . . 1 . . . . . . . . 4080 1 769 . 1 1 130 130 ILE HG21 H 1 0.97 . . 1 . . . . . . . . 4080 1 770 . 1 1 130 130 ILE HG22 H 1 0.97 . . 1 . . . . . . . . 4080 1 771 . 1 1 130 130 ILE HG23 H 1 0.97 . . 1 . . . . . . . . 4080 1 772 . 1 1 130 130 ILE HD11 H 1 0.93 . . 1 . . . . . . . . 4080 1 773 . 1 1 130 130 ILE HD12 H 1 0.93 . . 1 . . . . . . . . 4080 1 774 . 1 1 130 130 ILE HD13 H 1 0.93 . . 1 . . . . . . . . 4080 1 775 . 1 1 130 130 ILE CB C 13 40.1 . . 1 . . . . . . . . 4080 1 776 . 1 1 130 130 ILE CG1 C 13 27.3 . . 1 . . . . . . . . 4080 1 777 . 1 1 130 130 ILE CG2 C 13 18.2 . . 1 . . . . . . . . 4080 1 778 . 1 1 130 130 ILE CD1 C 13 13.8 . . 1 . . . . . . . . 4080 1 779 . 1 1 131 131 GLU HB2 H 1 2.06 . . 2 . . . . . . . . 4080 1 780 . 1 1 131 131 GLU HB3 H 1 2.04 . . 2 . . . . . . . . 4080 1 781 . 1 1 131 131 GLU HG2 H 1 2.36 . . 1 . . . . . . . . 4080 1 782 . 1 1 131 131 GLU HG3 H 1 2.35 . . 2 . . . . . . . . 4080 1 783 . 1 1 131 131 GLU CB C 13 29.7 . . 1 . . . . . . . . 4080 1 784 . 1 1 132 132 GLU HB2 H 1 1.99 . . 1 . . . . . . . . 4080 1 785 . 1 1 132 132 GLU HB3 H 1 1.99 . . 1 . . . . . . . . 4080 1 786 . 1 1 132 132 GLU HG2 H 1 2.39 . . 2 . . . . . . . . 4080 1 787 . 1 1 132 132 GLU HG3 H 1 2.30 . . 2 . . . . . . . . 4080 1 788 . 1 1 132 132 GLU CB C 13 29.7 . . 1 . . . . . . . . 4080 1 789 . 1 1 132 132 GLU CG C 13 37.3 . . 1 . . . . . . . . 4080 1 790 . 1 1 133 133 ASP HB2 H 1 2.94 . . 2 . . . . . . . . 4080 1 791 . 1 1 133 133 ASP HB3 H 1 2.67 . . 2 . . . . . . . . 4080 1 792 . 1 1 133 133 ASP CB C 13 41.0 . . 1 . . . . . . . . 4080 1 793 . 1 1 134 134 ILE HB H 1 2.03 . . 1 . . . . . . . . 4080 1 794 . 1 1 134 134 ILE HG12 H 1 1.65 . . 1 . . . . . . . . 4080 1 795 . 1 1 134 134 ILE HG13 H 1 1.65 . . 1 . . . . . . . . 4080 1 796 . 1 1 134 134 ILE HG21 H 1 0.92 . . 1 . . . . . . . . 4080 1 797 . 1 1 134 134 ILE HG22 H 1 0.92 . . 1 . . . . . . . . 4080 1 798 . 1 1 134 134 ILE HG23 H 1 0.92 . . 1 . . . . . . . . 4080 1 799 . 1 1 134 134 ILE HD11 H 1 0.86 . . 1 . . . . . . . . 4080 1 800 . 1 1 134 134 ILE HD12 H 1 0.86 . . 1 . . . . . . . . 4080 1 801 . 1 1 134 134 ILE HD13 H 1 0.86 . . 1 . . . . . . . . 4080 1 802 . 1 1 134 134 ILE CB C 13 37.9 . . 1 . . . . . . . . 4080 1 803 . 1 1 134 134 ILE CG1 C 13 29.1 . . 2 . . . . . . . . 4080 1 804 . 1 1 134 134 ILE CG2 C 13 18.2 . . 2 . . . . . . . . 4080 1 805 . 1 1 134 134 ILE CD1 C 13 13.8 . . 1 . . . . . . . . 4080 1 806 . 1 1 135 135 GLU HB2 H 1 2.09 . . 2 . . . . . . . . 4080 1 807 . 1 1 135 135 GLU HB3 H 1 2.05 . . 2 . . . . . . . . 4080 1 808 . 1 1 135 135 GLU HG2 H 1 2.33 . . 1 . . . . . . . . 4080 1 809 . 1 1 135 135 GLU HG3 H 1 2.23 . . 2 . . . . . . . . 4080 1 810 . 1 1 135 135 GLU CB C 13 29.6 . . 1 . . . . . . . . 4080 1 811 . 1 1 136 136 ASP HB2 H 1 2.83 . . 2 . . . . . . . . 4080 1 812 . 1 1 136 136 ASP HB3 H 1 2.68 . . 2 . . . . . . . . 4080 1 813 . 1 1 136 136 ASP CB C 13 41.0 . . 1 . . . . . . . . 4080 1 814 . 1 1 137 137 LEU HB2 H 1 1.86 . . 2 . . . . . . . . 4080 1 815 . 1 1 137 137 LEU HB3 H 1 1.67 . . 2 . . . . . . . . 4080 1 816 . 1 1 137 137 LEU HG H 1 1.57 . . 1 . . . . . . . . 4080 1 817 . 1 1 137 137 LEU HD11 H 1 0.89 . . 2 . . . . . . . . 4080 1 818 . 1 1 137 137 LEU HD12 H 1 0.89 . . 2 . . . . . . . . 4080 1 819 . 1 1 137 137 LEU HD13 H 1 0.89 . . 2 . . . . . . . . 4080 1 820 . 1 1 137 137 LEU HD21 H 1 0.91 . . 2 . . . . . . . . 4080 1 821 . 1 1 137 137 LEU HD22 H 1 0.91 . . 2 . . . . . . . . 4080 1 822 . 1 1 137 137 LEU HD23 H 1 0.91 . . 2 . . . . . . . . 4080 1 823 . 1 1 137 137 LEU CB C 13 41.9 . . 1 . . . . . . . . 4080 1 824 . 1 1 137 137 LEU CG C 13 27.4 . . 1 . . . . . . . . 4080 1 825 . 1 1 137 137 LEU CD1 C 13 26.4 . . 2 . . . . . . . . 4080 1 826 . 1 1 137 137 LEU CD2 C 13 23.6 . . 2 . . . . . . . . 4080 1 827 . 1 1 138 138 MET HB2 H 1 2.21 . . 2 . . . . . . . . 4080 1 828 . 1 1 138 138 MET HB3 H 1 2.18 . . 2 . . . . . . . . 4080 1 829 . 1 1 138 138 MET HG2 H 1 2.63 . . 2 . . . . . . . . 4080 1 830 . 1 1 138 138 MET HG3 H 1 2.50 . . 2 . . . . . . . . 4080 1 831 . 1 1 138 138 MET HE1 H 1 2.07 . . 1 . . . . . . . . 4080 1 832 . 1 1 138 138 MET HE2 H 1 2.07 . . 1 . . . . . . . . 4080 1 833 . 1 1 138 138 MET HE3 H 1 2.07 . . 1 . . . . . . . . 4080 1 834 . 1 1 138 138 MET CB C 13 33.8 . . 1 . . . . . . . . 4080 1 835 . 1 1 138 138 MET CG C 13 31.8 . . 1 . . . . . . . . 4080 1 836 . 1 1 138 138 MET CE C 13 17.4 . . 1 . . . . . . . . 4080 1 837 . 1 1 139 139 LYS HB2 H 1 1.96 . . 1 . . . . . . . . 4080 1 838 . 1 1 139 139 LYS HB3 H 1 1.96 . . 1 . . . . . . . . 4080 1 839 . 1 1 139 139 LYS HG2 H 1 1.66 . . 2 . . . . . . . . 4080 1 840 . 1 1 139 139 LYS HG3 H 1 1.52 . . 2 . . . . . . . . 4080 1 841 . 1 1 139 139 LYS HD2 H 1 1.66 . . 1 . . . . . . . . 4080 1 842 . 1 1 139 139 LYS HD3 H 1 1.66 . . 1 . . . . . . . . 4080 1 843 . 1 1 139 139 LYS HE2 H 1 3.03 . . 1 . . . . . . . . 4080 1 844 . 1 1 139 139 LYS HE3 H 1 3.03 . . 1 . . . . . . . . 4080 1 845 . 1 1 139 139 LYS CB C 13 32.6 . . 1 . . . . . . . . 4080 1 846 . 1 1 139 139 LYS CG C 13 25.3 . . 1 . . . . . . . . 4080 1 847 . 1 1 139 139 LYS CD C 13 29.1 . . 1 . . . . . . . . 4080 1 848 . 1 1 139 139 LYS CE C 13 43.1 . . 1 . . . . . . . . 4080 1 849 . 1 1 140 140 ASP HB2 H 1 2.97 . . 2 . . . . . . . . 4080 1 850 . 1 1 140 140 ASP HB3 H 1 2.82 . . 2 . . . . . . . . 4080 1 851 . 1 1 140 140 ASP CB C 13 38.3 . . 1 . . . . . . . . 4080 1 852 . 1 1 141 141 SER HB2 H 1 3.93 . . 2 . . . . . . . . 4080 1 853 . 1 1 141 141 SER HB3 H 1 3.84 . . 2 . . . . . . . . 4080 1 854 . 1 1 141 141 SER CB C 13 65.0 . . 1 . . . . . . . . 4080 1 855 . 1 1 142 142 ASP HB2 H 1 2.99 . . 2 . . . . . . . . 4080 1 856 . 1 1 142 142 ASP HB3 H 1 2.53 . . 2 . . . . . . . . 4080 1 857 . 1 1 142 142 ASP CB C 13 40.1 . . 1 . . . . . . . . 4080 1 858 . 1 1 143 143 LYS HG2 H 1 1.53 . . 2 . . . . . . . . 4080 1 859 . 1 1 143 143 LYS HG3 H 1 1.67 . . 2 . . . . . . . . 4080 1 860 . 1 1 143 143 LYS HD2 H 1 1.98 . . 2 . . . . . . . . 4080 1 861 . 1 1 143 143 LYS HD3 H 1 1.74 . . 2 . . . . . . . . 4080 1 862 . 1 1 143 143 LYS CG C 13 25.6 . . 1 . . . . . . . . 4080 1 863 . 1 1 144 144 ASN HB2 H 1 3.31 . . 2 . . . . . . . . 4080 1 864 . 1 1 144 144 ASN HB3 H 1 2.81 . . 2 . . . . . . . . 4080 1 865 . 1 1 144 144 ASN HD21 H 1 7.85 . . 2 . . . . . . . . 4080 1 866 . 1 1 144 144 ASN HD22 H 1 6.68 . . 2 . . . . . . . . 4080 1 867 . 1 1 144 144 ASN CB C 13 37.5 . . 1 . . . . . . . . 4080 1 868 . 1 1 144 144 ASN CG C 13 178.7 . . 1 . . . . . . . . 4080 1 869 . 1 1 144 144 ASN ND2 N 15 113.8 . . 1 . . . . . . . . 4080 1 870 . 1 1 145 145 ASN HB2 H 1 3.07 . . 2 . . . . . . . . 4080 1 871 . 1 1 145 145 ASN HB3 H 1 2.69 . . 2 . . . . . . . . 4080 1 872 . 1 1 145 145 ASN HD21 H 1 7.37 . . 2 . . . . . . . . 4080 1 873 . 1 1 145 145 ASN HD22 H 1 6.67 . . 2 . . . . . . . . 4080 1 874 . 1 1 145 145 ASN CB C 13 37.9 . . 1 . . . . . . . . 4080 1 875 . 1 1 145 145 ASN CG C 13 178.2 . . 1 . . . . . . . . 4080 1 876 . 1 1 145 145 ASN ND2 N 15 112.9 . . 1 . . . . . . . . 4080 1 877 . 1 1 146 146 ASP HB2 H 1 2.97 . . 2 . . . . . . . . 4080 1 878 . 1 1 146 146 ASP HB3 H 1 2.40 . . 2 . . . . . . . . 4080 1 879 . 1 1 146 146 ASP CB C 13 41.3 . . 1 . . . . . . . . 4080 1 880 . 1 1 148 148 ARG HB2 H 1 1.63 . . 2 . . . . . . . . 4080 1 881 . 1 1 148 148 ARG HB3 H 1 1.50 . . 2 . . . . . . . . 4080 1 882 . 1 1 148 148 ARG HG2 H 1 1.27 . . 2 . . . . . . . . 4080 1 883 . 1 1 148 148 ARG HG3 H 1 1.22 . . 2 . . . . . . . . 4080 1 884 . 1 1 148 148 ARG HD2 H 1 2.47 . . 2 . . . . . . . . 4080 1 885 . 1 1 148 148 ARG HD3 H 1 2.16 . . 2 . . . . . . . . 4080 1 886 . 1 1 148 148 ARG CB C 13 34.5 . . 1 . . . . . . . . 4080 1 887 . 1 1 148 148 ARG CG C 13 26.0 . . 1 . . . . . . . . 4080 1 888 . 1 1 148 148 ARG CD C 13 43.2 . . 1 . . . . . . . . 4080 1 889 . 1 1 149 149 ILE HB H 1 2.24 . . 1 . . . . . . . . 4080 1 890 . 1 1 149 149 ILE HG12 H 1 1.04 . . 1 . . . . . . . . 4080 1 891 . 1 1 149 149 ILE HG13 H 1 1.04 . . 1 . . . . . . . . 4080 1 892 . 1 1 149 149 ILE HG21 H 1 1.30 . . 1 . . . . . . . . 4080 1 893 . 1 1 149 149 ILE HG22 H 1 1.30 . . 1 . . . . . . . . 4080 1 894 . 1 1 149 149 ILE HG23 H 1 1.30 . . 1 . . . . . . . . 4080 1 895 . 1 1 149 149 ILE HD11 H 1 0.92 . . 1 . . . . . . . . 4080 1 896 . 1 1 149 149 ILE HD12 H 1 0.92 . . 1 . . . . . . . . 4080 1 897 . 1 1 149 149 ILE HD13 H 1 0.92 . . 1 . . . . . . . . 4080 1 898 . 1 1 149 149 ILE CB C 13 40.0 . . 1 . . . . . . . . 4080 1 899 . 1 1 149 149 ILE CG1 C 13 28.3 . . 2 . . . . . . . . 4080 1 900 . 1 1 149 149 ILE CG2 C 13 18.5 . . 2 . . . . . . . . 4080 1 901 . 1 1 149 149 ILE CD1 C 13 14.2 . . 2 . . . . . . . . 4080 1 902 . 1 1 150 150 ASP HB2 H 1 3.32 . . 2 . . . . . . . . 4080 1 903 . 1 1 150 150 ASP HB3 H 1 2.93 . . 2 . . . . . . . . 4080 1 904 . 1 1 150 150 ASP CB C 13 42.7 . . 1 . . . . . . . . 4080 1 905 . 1 1 151 151 PHE HB2 H 1 2.56 . . 2 . . . . . . . . 4080 1 906 . 1 1 151 151 PHE HB3 H 1 2.27 . . 2 . . . . . . . . 4080 1 907 . 1 1 151 151 PHE HD1 H 1 6.61 . . 1 . . . . . . . . 4080 1 908 . 1 1 151 151 PHE HD2 H 1 6.61 . . 1 . . . . . . . . 4080 1 909 . 1 1 151 151 PHE HE1 H 1 7.17 . . 1 . . . . . . . . 4080 1 910 . 1 1 151 151 PHE HE2 H 1 7.17 . . 1 . . . . . . . . 4080 1 911 . 1 1 151 151 PHE HZ H 1 7.28 . . 1 . . . . . . . . 4080 1 912 . 1 1 151 151 PHE CB C 13 39.1 . . 1 . . . . . . . . 4080 1 913 . 1 1 152 152 ASP HB2 H 1 2.75 . . 2 . . . . . . . . 4080 1 914 . 1 1 152 152 ASP HB3 H 1 2.63 . . 2 . . . . . . . . 4080 1 915 . 1 1 152 152 ASP CB C 13 41.4 . . 1 . . . . . . . . 4080 1 916 . 1 1 154 154 PHE HB2 H 1 3.43 . . 2 . . . . . . . . 4080 1 917 . 1 1 154 154 PHE HB3 H 1 3.28 . . 2 . . . . . . . . 4080 1 918 . 1 1 154 154 PHE HD1 H 1 7.11 . . 1 . . . . . . . . 4080 1 919 . 1 1 154 154 PHE HD2 H 1 7.11 . . 1 . . . . . . . . 4080 1 920 . 1 1 154 154 PHE HE1 H 1 7.38 . . 1 . . . . . . . . 4080 1 921 . 1 1 154 154 PHE HE2 H 1 7.38 . . 1 . . . . . . . . 4080 1 922 . 1 1 154 154 PHE HZ H 1 7.42 . . 1 . . . . . . . . 4080 1 923 . 1 1 154 154 PHE CB C 13 40.2 . . 1 . . . . . . . . 4080 1 924 . 1 1 155 155 LEU HB2 H 1 1.72 . . 2 . . . . . . . . 4080 1 925 . 1 1 155 155 LEU HB3 H 1 1.28 . . 2 . . . . . . . . 4080 1 926 . 1 1 155 155 LEU HG H 1 1.20 . . 1 . . . . . . . . 4080 1 927 . 1 1 155 155 LEU HD11 H 1 0.64 . . 2 . . . . . . . . 4080 1 928 . 1 1 155 155 LEU HD12 H 1 0.64 . . 2 . . . . . . . . 4080 1 929 . 1 1 155 155 LEU HD13 H 1 0.64 . . 2 . . . . . . . . 4080 1 930 . 1 1 155 155 LEU HD21 H 1 0.68 . . 2 . . . . . . . . 4080 1 931 . 1 1 155 155 LEU HD22 H 1 0.68 . . 2 . . . . . . . . 4080 1 932 . 1 1 155 155 LEU HD23 H 1 0.68 . . 2 . . . . . . . . 4080 1 933 . 1 1 155 155 LEU CB C 13 41.8 . . 1 . . . . . . . . 4080 1 934 . 1 1 155 155 LEU CG C 13 26.5 . . 1 . . . . . . . . 4080 1 935 . 1 1 155 155 LEU CD1 C 13 26.1 . . 2 . . . . . . . . 4080 1 936 . 1 1 155 155 LEU CD2 C 13 24.4 . . 2 . . . . . . . . 4080 1 937 . 1 1 156 156 LYS HB2 H 1 1.88 . . 1 . . . . . . . . 4080 1 938 . 1 1 156 156 LYS HB3 H 1 1.88 . . 1 . . . . . . . . 4080 1 939 . 1 1 156 156 LYS HG2 H 1 1.58 . . 2 . . . . . . . . 4080 1 940 . 1 1 156 156 LYS HG3 H 1 1.56 . . 2 . . . . . . . . 4080 1 941 . 1 1 156 156 LYS HD2 H 1 1.84 . . 2 . . . . . . . . 4080 1 942 . 1 1 156 156 LYS HD3 H 1 1.55 . . 2 . . . . . . . . 4080 1 943 . 1 1 156 156 LYS HE2 H 1 3.10 . . 2 . . . . . . . . 4080 1 944 . 1 1 156 156 LYS HE3 H 1 3.03 . . 2 . . . . . . . . 4080 1 945 . 1 1 156 156 LYS CB C 13 30.5 . . 1 . . . . . . . . 4080 1 946 . 1 1 156 156 LYS CD C 13 28.2 . . 1 . . . . . . . . 4080 1 947 . 1 1 156 156 LYS CE C 13 44.0 . . 1 . . . . . . . . 4080 1 948 . 1 1 157 157 MET HB2 H 1 2.16 . . 1 . . . . . . . . 4080 1 949 . 1 1 157 157 MET HB3 H 1 2.16 . . 1 . . . . . . . . 4080 1 950 . 1 1 157 157 MET HG2 H 1 2.59 . . 2 . . . . . . . . 4080 1 951 . 1 1 157 157 MET HG3 H 1 2.40 . . 2 . . . . . . . . 4080 1 952 . 1 1 157 157 MET HE1 H 1 1.98 . . 1 . . . . . . . . 4080 1 953 . 1 1 157 157 MET HE2 H 1 1.98 . . 1 . . . . . . . . 4080 1 954 . 1 1 157 157 MET HE3 H 1 1.98 . . 1 . . . . . . . . 4080 1 955 . 1 1 157 157 MET CB C 13 32.4 . . 1 . . . . . . . . 4080 1 956 . 1 1 157 157 MET CG C 13 32.4 . . 1 . . . . . . . . 4080 1 957 . 1 1 157 157 MET CE C 13 17.7 . . 1 . . . . . . . . 4080 1 958 . 1 1 158 158 MET HB2 H 1 1.85 . . 2 . . . . . . . . 4080 1 959 . 1 1 158 158 MET HB3 H 1 1.74 . . 2 . . . . . . . . 4080 1 960 . 1 1 158 158 MET HE1 H 1 2.05 . . 1 . . . . . . . . 4080 1 961 . 1 1 158 158 MET HE2 H 1 2.05 . . 1 . . . . . . . . 4080 1 962 . 1 1 158 158 MET HE3 H 1 2.05 . . 1 . . . . . . . . 4080 1 963 . 1 1 158 158 MET CB C 13 32.3 . . 1 . . . . . . . . 4080 1 964 . 1 1 158 158 MET CE C 13 17.2 . . 1 . . . . . . . . 4080 1 965 . 1 1 159 159 GLU HB2 H 1 2.05 . . 1 . . . . . . . . 4080 1 966 . 1 1 159 159 GLU HB3 H 1 2.05 . . 1 . . . . . . . . 4080 1 967 . 1 1 159 159 GLU HG2 H 1 2.42 . . 1 . . . . . . . . 4080 1 968 . 1 1 159 159 GLU HG3 H 1 2.24 . . 2 . . . . . . . . 4080 1 969 . 1 1 159 159 GLU CB C 13 31.4 . . 1 . . . . . . . . 4080 1 970 . 1 1 161 161 VAL HB H 1 2.16 . . 1 . . . . . . . . 4080 1 971 . 1 1 161 161 VAL HG11 H 1 0.93 . . 2 . . . . . . . . 4080 1 972 . 1 1 161 161 VAL HG12 H 1 0.93 . . 2 . . . . . . . . 4080 1 973 . 1 1 161 161 VAL HG13 H 1 0.93 . . 2 . . . . . . . . 4080 1 974 . 1 1 161 161 VAL HG21 H 1 0.95 . . 2 . . . . . . . . 4080 1 975 . 1 1 161 161 VAL HG22 H 1 0.95 . . 2 . . . . . . . . 4080 1 976 . 1 1 161 161 VAL HG23 H 1 0.95 . . 2 . . . . . . . . 4080 1 977 . 1 1 161 161 VAL CB C 13 32.8 . . 1 . . . . . . . . 4080 1 978 . 1 1 161 161 VAL CG1 C 13 21.7 . . 2 . . . . . . . . 4080 1 979 . 1 1 161 161 VAL CG2 C 13 21.2 . . 2 . . . . . . . . 4080 1 980 . 1 1 162 162 GLN HB2 H 1 2.11 . . 2 . . . . . . . . 4080 1 981 . 1 1 162 162 GLN HB3 H 1 1.93 . . 2 . . . . . . . . 4080 1 982 . 1 1 162 162 GLN HG2 H 1 2.31 . . 1 . . . . . . . . 4080 1 983 . 1 1 162 162 GLN HG3 H 1 2.31 . . 1 . . . . . . . . 4080 1 984 . 1 1 162 162 GLN HE21 H 1 7.52 . . 2 . . . . . . . . 4080 1 985 . 1 1 162 162 GLN HE22 H 1 6.88 . . 2 . . . . . . . . 4080 1 986 . 1 1 162 162 GLN CB C 13 30.9 . . 1 . . . . . . . . 4080 1 987 . 1 1 162 162 GLN CG C 13 34.7 . . 1 . . . . . . . . 4080 1 988 . 1 1 162 162 GLN CD C 13 181.6 . . 1 . . . . . . . . 4080 1 989 . 1 1 162 162 GLN NE2 N 15 112.5 . . 1 . . . . . . . . 4080 1 stop_ save_