data_5040 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5040 _Entry.Title ; Backbone 1H, 15N, and 13C Resonance Assignments of Inhibitor-1--a Protein Inhibitor of Protein Phosphatase-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-06-05 _Entry.Accession_date 2001-06-05 _Entry.Last_release_date 2002-01-23 _Entry.Original_release_date 2002-01-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Chia-lin Chyan . . . 5040 2 Tzu-Chun Tang . . . 5040 3 Yi-chen Chen . . . 5040 4 Hsin-tzu Liu . . . 5040 5 Fang-Min Lin . . . 5040 6 Chen-Kung Liu . . . 5040 7 Meng-Juei Hsieh . . . 5040 8 Ming-Shi Shiao . . . 5040 9 Hsien-bin Huang . . . 5040 10 Ta-Hsien Lin . . . 5040 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5040 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 492 5040 '15N chemical shifts' 148 5040 '1H chemical shifts' 568 5040 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 . . 2002-01-23 2001-06-05 original author . 5040 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5040 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21631522 _Citation.DOI . _Citation.PubMed_ID 11775747 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone 1H, 15N, and 13C Resonance Assignments of Inhibitor-1--a Protein Inhibitor of Protein Phosphatase-1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 21 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 287 _Citation.Page_last 288 _Citation.Year 2001 _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 Chia-lin Chyan . . . 5040 1 2 Tzu-Chun Tang . . . 5040 1 3 Yi-chen Chen . . . 5040 1 4 Hsin-tzu Liu . . . 5040 1 5 Fang-Min Lin . . . 5040 1 6 Chen-Kung Liu . . . 5040 1 7 Meng-Juei Hsieh . . . 5040 1 8 Ming-Shi Shiao . . . 5040 1 9 Hsien-bin Huang . . . 5040 1 10 Ta-Hsien Lin . . . 5040 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_I1(I29T) _Assembly.Sf_category assembly _Assembly.Sf_framecode system_I1(I29T) _Assembly.Entry_ID 5040 _Assembly.ID 1 _Assembly.Name 'I1(I29T) monomer' _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 5040 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 'I1(I29T) mononer' 1 $I1(I29T)_monomer . . . native . . . . . 5040 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID I1(I29T) abbreviation 5040 1 'I1(I29T) monomer' system 5040 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_I1(I29T)_monomer _Entity.Sf_category entity _Entity.Sf_framecode I1(I29T)_monomer _Entity.Entry_ID 5040 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'protein phosphatase inhibitor 1(I29T)' _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 ; MEQDNSPRKIQFTVPLLEPH LDPEAAEQTRRRRPTPATLV LTSDQSSPEIDEDRIPNPHL KSTLAMSPRQRKKMTRITPT MKELQMMVEHHLGQQQQGEE PEGAAESTGTQESRPPGIPD TEVESRLGTSGTAKKTAECI PKTHERGSKEPSTKEPSTHI PPLDSKGANSV ; _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 171 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAE90004 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 171 97.08 97.66 2.60e-112 . . . . 5040 1 2 no EMBL CAG33284 . "PPP1R1A [Homo sapiens]" . . . . . 100.00 171 99.42 99.42 2.40e-116 . . . . 5040 1 3 no GB AAB02402 . "protein phosphatase-1 inhibitor [Homo sapiens]" . . . . . 100.00 171 99.42 99.42 2.40e-116 . . . . 5040 1 4 no GB AAH22470 . "Protein phosphatase 1, regulatory (inhibitor) subunit 1A [Homo sapiens]" . . . . . 100.00 171 98.83 99.42 1.46e-115 . . . . 5040 1 5 no GB AAL48320 . "inhibitor-1 [Canis lupus familiaris]" . . . . . 100.00 171 98.83 98.83 1.74e-115 . . . . 5040 1 6 no GB AAL48321 . "inhibitor-1 [Homo sapiens]" . . . . . 100.00 171 98.83 98.83 1.56e-115 . . . . 5040 1 7 no GB AAV38794 . "protein phosphatase 1, regulatory (inhibitor) subunit 1A [synthetic construct]" . . . . . 100.00 172 98.83 98.83 4.96e-115 . . . . 5040 1 8 no REF NP_001003062 . "protein phosphatase 1 regulatory subunit 1A [Canis lupus familiaris]" . . . . . 100.00 171 98.83 98.83 1.74e-115 . . . . 5040 1 9 no REF NP_001253895 . "protein phosphatase 1 regulatory subunit 1A [Macaca mulatta]" . . . . . 100.00 171 97.08 97.66 2.60e-112 . . . . 5040 1 10 no REF NP_001271621 . "uncharacterized protein LOC101925798 [Macaca fascicularis]" . . . . . 100.00 171 97.08 97.66 2.60e-112 . . . . 5040 1 11 no REF NP_006732 . "protein phosphatase 1 regulatory subunit 1A [Homo sapiens]" . . . . . 100.00 171 99.42 99.42 2.40e-116 . . . . 5040 1 12 no REF XP_003807647 . "PREDICTED: protein phosphatase 1 regulatory subunit 1A, partial [Pan paniscus]" . . . . . 91.81 157 98.73 98.73 1.37e-103 . . . . 5040 1 13 no SP Q13522 . "RecName: Full=Protein phosphatase 1 regulatory subunit 1A; AltName: Full=Protein phosphatase inhibitor 1; Short=I-1; Short=IPP-" . . . . . 100.00 171 98.83 98.83 6.37e-115 . . . . 5040 1 14 no SP Q8WMS3 . "RecName: Full=Protein phosphatase 1 regulatory subunit 1A; AltName: Full=Protein phosphatase inhibitor 1; Short=I-1; Short=IPP-" . . . . . 100.00 171 98.83 98.83 1.74e-115 . . . . 5040 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID I1(I29T) abbreviation 5040 1 'protein phosphatase inhibitor 1(I29T)' common 5040 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 . MET . 5040 1 2 . GLU . 5040 1 3 . GLN . 5040 1 4 . ASP . 5040 1 5 . ASN . 5040 1 6 . SER . 5040 1 7 . PRO . 5040 1 8 . ARG . 5040 1 9 . LYS . 5040 1 10 . ILE . 5040 1 11 . GLN . 5040 1 12 . PHE . 5040 1 13 . THR . 5040 1 14 . VAL . 5040 1 15 . PRO . 5040 1 16 . LEU . 5040 1 17 . LEU . 5040 1 18 . GLU . 5040 1 19 . PRO . 5040 1 20 . HIS . 5040 1 21 . LEU . 5040 1 22 . ASP . 5040 1 23 . PRO . 5040 1 24 . GLU . 5040 1 25 . ALA . 5040 1 26 . ALA . 5040 1 27 . GLU . 5040 1 28 . GLN . 5040 1 29 . THR . 5040 1 30 . ARG . 5040 1 31 . ARG . 5040 1 32 . ARG . 5040 1 33 . ARG . 5040 1 34 . PRO . 5040 1 35 . THR . 5040 1 36 . PRO . 5040 1 37 . ALA . 5040 1 38 . THR . 5040 1 39 . LEU . 5040 1 40 . VAL . 5040 1 41 . LEU . 5040 1 42 . THR . 5040 1 43 . SER . 5040 1 44 . ASP . 5040 1 45 . GLN . 5040 1 46 . SER . 5040 1 47 . SER . 5040 1 48 . PRO . 5040 1 49 . GLU . 5040 1 50 . ILE . 5040 1 51 . ASP . 5040 1 52 . GLU . 5040 1 53 . ASP . 5040 1 54 . ARG . 5040 1 55 . ILE . 5040 1 56 . PRO . 5040 1 57 . ASN . 5040 1 58 . PRO . 5040 1 59 . HIS . 5040 1 60 . LEU . 5040 1 61 . LYS . 5040 1 62 . SER . 5040 1 63 . THR . 5040 1 64 . LEU . 5040 1 65 . ALA . 5040 1 66 . MET . 5040 1 67 . SER . 5040 1 68 . PRO . 5040 1 69 . ARG . 5040 1 70 . GLN . 5040 1 71 . ARG . 5040 1 72 . LYS . 5040 1 73 . LYS . 5040 1 74 . MET . 5040 1 75 . THR . 5040 1 76 . ARG . 5040 1 77 . ILE . 5040 1 78 . THR . 5040 1 79 . PRO . 5040 1 80 . THR . 5040 1 81 . MET . 5040 1 82 . LYS . 5040 1 83 . GLU . 5040 1 84 . LEU . 5040 1 85 . GLN . 5040 1 86 . MET . 5040 1 87 . MET . 5040 1 88 . VAL . 5040 1 89 . GLU . 5040 1 90 . HIS . 5040 1 91 . HIS . 5040 1 92 . LEU . 5040 1 93 . GLY . 5040 1 94 . GLN . 5040 1 95 . GLN . 5040 1 96 . GLN . 5040 1 97 . GLN . 5040 1 98 . GLY . 5040 1 99 . GLU . 5040 1 100 . GLU . 5040 1 101 . PRO . 5040 1 102 . GLU . 5040 1 103 . GLY . 5040 1 104 . ALA . 5040 1 105 . ALA . 5040 1 106 . GLU . 5040 1 107 . SER . 5040 1 108 . THR . 5040 1 109 . GLY . 5040 1 110 . THR . 5040 1 111 . GLN . 5040 1 112 . GLU . 5040 1 113 . SER . 5040 1 114 . ARG . 5040 1 115 . PRO . 5040 1 116 . PRO . 5040 1 117 . GLY . 5040 1 118 . ILE . 5040 1 119 . PRO . 5040 1 120 . ASP . 5040 1 121 . THR . 5040 1 122 . GLU . 5040 1 123 . VAL . 5040 1 124 . GLU . 5040 1 125 . SER . 5040 1 126 . ARG . 5040 1 127 . LEU . 5040 1 128 . GLY . 5040 1 129 . THR . 5040 1 130 . SER . 5040 1 131 . GLY . 5040 1 132 . THR . 5040 1 133 . ALA . 5040 1 134 . LYS . 5040 1 135 . LYS . 5040 1 136 . THR . 5040 1 137 . ALA . 5040 1 138 . GLU . 5040 1 139 . CYS . 5040 1 140 . ILE . 5040 1 141 . PRO . 5040 1 142 . LYS . 5040 1 143 . THR . 5040 1 144 . HIS . 5040 1 145 . GLU . 5040 1 146 . ARG . 5040 1 147 . GLY . 5040 1 148 . SER . 5040 1 149 . LYS . 5040 1 150 . GLU . 5040 1 151 . PRO . 5040 1 152 . SER . 5040 1 153 . THR . 5040 1 154 . LYS . 5040 1 155 . GLU . 5040 1 156 . PRO . 5040 1 157 . SER . 5040 1 158 . THR . 5040 1 159 . HIS . 5040 1 160 . ILE . 5040 1 161 . PRO . 5040 1 162 . PRO . 5040 1 163 . LEU . 5040 1 164 . ASP . 5040 1 165 . SER . 5040 1 166 . LYS . 5040 1 167 . GLY . 5040 1 168 . ALA . 5040 1 169 . ASN . 5040 1 170 . SER . 5040 1 171 . VAL . 5040 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5040 1 . GLU 2 2 5040 1 . GLN 3 3 5040 1 . ASP 4 4 5040 1 . ASN 5 5 5040 1 . SER 6 6 5040 1 . PRO 7 7 5040 1 . ARG 8 8 5040 1 . LYS 9 9 5040 1 . ILE 10 10 5040 1 . GLN 11 11 5040 1 . PHE 12 12 5040 1 . THR 13 13 5040 1 . VAL 14 14 5040 1 . PRO 15 15 5040 1 . LEU 16 16 5040 1 . LEU 17 17 5040 1 . GLU 18 18 5040 1 . PRO 19 19 5040 1 . HIS 20 20 5040 1 . LEU 21 21 5040 1 . ASP 22 22 5040 1 . PRO 23 23 5040 1 . GLU 24 24 5040 1 . ALA 25 25 5040 1 . ALA 26 26 5040 1 . GLU 27 27 5040 1 . GLN 28 28 5040 1 . THR 29 29 5040 1 . ARG 30 30 5040 1 . ARG 31 31 5040 1 . ARG 32 32 5040 1 . ARG 33 33 5040 1 . PRO 34 34 5040 1 . THR 35 35 5040 1 . PRO 36 36 5040 1 . ALA 37 37 5040 1 . THR 38 38 5040 1 . LEU 39 39 5040 1 . VAL 40 40 5040 1 . LEU 41 41 5040 1 . THR 42 42 5040 1 . SER 43 43 5040 1 . ASP 44 44 5040 1 . GLN 45 45 5040 1 . SER 46 46 5040 1 . SER 47 47 5040 1 . PRO 48 48 5040 1 . GLU 49 49 5040 1 . ILE 50 50 5040 1 . ASP 51 51 5040 1 . GLU 52 52 5040 1 . ASP 53 53 5040 1 . ARG 54 54 5040 1 . ILE 55 55 5040 1 . PRO 56 56 5040 1 . ASN 57 57 5040 1 . PRO 58 58 5040 1 . HIS 59 59 5040 1 . LEU 60 60 5040 1 . LYS 61 61 5040 1 . SER 62 62 5040 1 . THR 63 63 5040 1 . LEU 64 64 5040 1 . ALA 65 65 5040 1 . MET 66 66 5040 1 . SER 67 67 5040 1 . PRO 68 68 5040 1 . ARG 69 69 5040 1 . GLN 70 70 5040 1 . ARG 71 71 5040 1 . LYS 72 72 5040 1 . LYS 73 73 5040 1 . MET 74 74 5040 1 . THR 75 75 5040 1 . ARG 76 76 5040 1 . ILE 77 77 5040 1 . THR 78 78 5040 1 . PRO 79 79 5040 1 . THR 80 80 5040 1 . MET 81 81 5040 1 . LYS 82 82 5040 1 . GLU 83 83 5040 1 . LEU 84 84 5040 1 . GLN 85 85 5040 1 . MET 86 86 5040 1 . MET 87 87 5040 1 . VAL 88 88 5040 1 . GLU 89 89 5040 1 . HIS 90 90 5040 1 . HIS 91 91 5040 1 . LEU 92 92 5040 1 . GLY 93 93 5040 1 . GLN 94 94 5040 1 . GLN 95 95 5040 1 . GLN 96 96 5040 1 . GLN 97 97 5040 1 . GLY 98 98 5040 1 . GLU 99 99 5040 1 . GLU 100 100 5040 1 . PRO 101 101 5040 1 . GLU 102 102 5040 1 . GLY 103 103 5040 1 . ALA 104 104 5040 1 . ALA 105 105 5040 1 . GLU 106 106 5040 1 . SER 107 107 5040 1 . THR 108 108 5040 1 . GLY 109 109 5040 1 . THR 110 110 5040 1 . GLN 111 111 5040 1 . GLU 112 112 5040 1 . SER 113 113 5040 1 . ARG 114 114 5040 1 . PRO 115 115 5040 1 . PRO 116 116 5040 1 . GLY 117 117 5040 1 . ILE 118 118 5040 1 . PRO 119 119 5040 1 . ASP 120 120 5040 1 . THR 121 121 5040 1 . GLU 122 122 5040 1 . VAL 123 123 5040 1 . GLU 124 124 5040 1 . SER 125 125 5040 1 . ARG 126 126 5040 1 . LEU 127 127 5040 1 . GLY 128 128 5040 1 . THR 129 129 5040 1 . SER 130 130 5040 1 . GLY 131 131 5040 1 . THR 132 132 5040 1 . ALA 133 133 5040 1 . LYS 134 134 5040 1 . LYS 135 135 5040 1 . THR 136 136 5040 1 . ALA 137 137 5040 1 . GLU 138 138 5040 1 . CYS 139 139 5040 1 . ILE 140 140 5040 1 . PRO 141 141 5040 1 . LYS 142 142 5040 1 . THR 143 143 5040 1 . HIS 144 144 5040 1 . GLU 145 145 5040 1 . ARG 146 146 5040 1 . GLY 147 147 5040 1 . SER 148 148 5040 1 . LYS 149 149 5040 1 . GLU 150 150 5040 1 . PRO 151 151 5040 1 . SER 152 152 5040 1 . THR 153 153 5040 1 . LYS 154 154 5040 1 . GLU 155 155 5040 1 . PRO 156 156 5040 1 . SER 157 157 5040 1 . THR 158 158 5040 1 . HIS 159 159 5040 1 . ILE 160 160 5040 1 . PRO 161 161 5040 1 . PRO 162 162 5040 1 . LEU 163 163 5040 1 . ASP 164 164 5040 1 . SER 165 165 5040 1 . LYS 166 166 5040 1 . GLY 167 167 5040 1 . ALA 168 168 5040 1 . ASN 169 169 5040 1 . SER 170 170 5040 1 . VAL 171 171 5040 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 5040 _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 $I1(I29T)_monomer . 562 . . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . . . . . . 5040 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 5040 _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 $I1(I29T)_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . plasmid . . pET28a . . . . . . 5040 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5040 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'protein phosphatase inhibitor 1(I29T)' '[U-13C; U-15N]' . . 1 $I1(I29T)_monomer . . . 1.0 1.5 mM . . . . 5040 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_set_1 _Sample_condition_list.Entry_ID 5040 _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 5.5 0.2 n/a 5040 1 temperature 293 2 K 5040 1 stop_ save_ ############################ # Computer software used # ############################ save_aurelia _Software.Sf_category software _Software.Sf_framecode aurelia _Software.Entry_ID 5040 _Software.ID 1 _Software.Name AURELIA _Software.Version 2.5 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5040 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; It is equipped with a 5 mm inverse triple resonance (1H/13C/BB), Z-axis gradient probe. ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5040 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AVANCE . 500 ; It is equipped with a 5 mm inverse triple resonance (1H/13C/BB), Z-axis gradient probe. ; . . 5040 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 5040 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5040 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5040 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5040 1 4 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5040 1 5 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5040 1 6 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5040 1 7 15N-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5040 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5040 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5040 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5040 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5040 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5040 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5040 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5040 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5040 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5040 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5040 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5040 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_cs_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode cs_set_1 _Assigned_chem_shift_list.Entry_ID 5040 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5040 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU HA H 1 4.05 0.01 . 1 . . . . . . . . 5040 1 2 . 1 1 2 2 GLU HB2 H 1 1.77 0.01 . 1 . . . . . . . . 5040 1 3 . 1 1 2 2 GLU HB3 H 1 1.64 0.01 . 1 . . . . . . . . 5040 1 4 . 1 1 2 2 GLU C C 13 176.1 0.2 . 1 . . . . . . . . 5040 1 5 . 1 1 2 2 GLU CA C 13 56.6 0.2 . 1 . . . . . . . . 5040 1 6 . 1 1 2 2 GLU CB C 13 30.0 0.2 . 1 . . . . . . . . 5040 1 7 . 1 1 3 3 GLN H H 1 8.63 0.01 . 1 . . . . . . . . 5040 1 8 . 1 1 3 3 GLN HA H 1 4.01 0.01 . 1 . . . . . . . . 5040 1 9 . 1 1 3 3 GLN HB2 H 1 1.79 0.01 . 1 . . . . . . . . 5040 1 10 . 1 1 3 3 GLN HB3 H 1 1.69 0.01 . 1 . . . . . . . . 5040 1 11 . 1 1 3 3 GLN C C 13 175.5 0.2 . 1 . . . . . . . . 5040 1 12 . 1 1 3 3 GLN CA C 13 55.6 0.2 . 1 . . . . . . . . 5040 1 13 . 1 1 3 3 GLN CB C 13 29.4 0.2 . 1 . . . . . . . . 5040 1 14 . 1 1 3 3 GLN N N 15 121.3 0.2 . 1 . . . . . . . . 5040 1 15 . 1 1 4 4 ASP H H 1 8.44 0.01 . 1 . . . . . . . . 5040 1 16 . 1 1 4 4 ASP HA H 1 4.29 0.01 . 1 . . . . . . . . 5040 1 17 . 1 1 4 4 ASP HB2 H 1 1.79 0.01 . 1 . . . . . . . . 5040 1 18 . 1 1 4 4 ASP HB3 H 1 1.69 0.01 . 1 . . . . . . . . 5040 1 19 . 1 1 4 4 ASP C C 13 176.0 0.2 . 1 . . . . . . . . 5040 1 20 . 1 1 4 4 ASP CA C 13 54.1 0.2 . 1 . . . . . . . . 5040 1 21 . 1 1 4 4 ASP CB C 13 41.0 0.2 . 1 . . . . . . . . 5040 1 22 . 1 1 4 4 ASP N N 15 121.8 0.2 . 1 . . . . . . . . 5040 1 23 . 1 1 5 5 ASN H H 1 8.5 0.01 . 1 . . . . . . . . 5040 1 24 . 1 1 5 5 ASN HA H 1 4.5 0.01 . 1 . . . . . . . . 5040 1 25 . 1 1 5 5 ASN HB2 H 1 2.60 0.01 . 1 . . . . . . . . 5040 1 26 . 1 1 5 5 ASN HB3 H 1 2.50 0.01 . 1 . . . . . . . . 5040 1 27 . 1 1 5 5 ASN C C 13 175.1 0.2 . 1 . . . . . . . . 5040 1 28 . 1 1 5 5 ASN CA C 13 52.8 0.2 . 1 . . . . . . . . 5040 1 29 . 1 1 5 5 ASN CB C 13 38.6 0.2 . 1 . . . . . . . . 5040 1 30 . 1 1 5 5 ASN N N 15 120.3 0.2 . 1 . . . . . . . . 5040 1 31 . 1 1 6 6 SER H H 1 8.2 0.01 . 1 . . . . . . . . 5040 1 32 . 1 1 6 6 SER HA H 1 4.4 0.01 . 1 . . . . . . . . 5040 1 33 . 1 1 6 6 SER HB2 H 1 3.6 0.01 . 2 . . . . . . . . 5040 1 34 . 1 1 6 6 SER C C 13 172.7 0.2 . 1 . . . . . . . . 5040 1 35 . 1 1 6 6 SER CA C 13 56.9 0.2 . 1 . . . . . . . . 5040 1 36 . 1 1 6 6 SER CB C 13 62.9 0.2 . 1 . . . . . . . . 5040 1 37 . 1 1 6 6 SER N N 15 117.5 0.2 . 1 . . . . . . . . 5040 1 38 . 1 1 7 7 PRO HA H 1 4.1 0.01 . 1 . . . . . . . . 5040 1 39 . 1 1 7 7 PRO HB2 H 1 2.00 0.01 . 1 . . . . . . . . 5040 1 40 . 1 1 7 7 PRO HB3 H 1 1.60 0.01 . 1 . . . . . . . . 5040 1 41 . 1 1 7 7 PRO C C 13 176.9 0.2 . 1 . . . . . . . . 5040 1 42 . 1 1 7 7 PRO CA C 13 63.4 0.2 . 1 . . . . . . . . 5040 1 43 . 1 1 7 7 PRO CB C 13 31.8 0.2 . 1 . . . . . . . . 5040 1 44 . 1 1 8 8 ARG H H 1 8.35 0.01 . 1 . . . . . . . . 5040 1 45 . 1 1 8 8 ARG HA H 1 3.99 0.01 . 1 . . . . . . . . 5040 1 46 . 1 1 8 8 ARG HB2 H 1 1.49 0.01 . 2 . . . . . . . . 5040 1 47 . 1 1 8 8 ARG C C 13 176.2 0.2 . 1 . . . . . . . . 5040 1 48 . 1 1 8 8 ARG CA C 13 55.7 0.2 . 1 . . . . . . . . 5040 1 49 . 1 1 8 8 ARG CB C 13 30.8 0.2 . 1 . . . . . . . . 5040 1 50 . 1 1 8 8 ARG N N 15 121.06 0.2 . 1 . . . . . . . . 5040 1 51 . 1 1 9 9 LYS H H 1 8.32 0.01 . 1 . . . . . . . . 5040 1 52 . 1 1 9 9 LYS HA H 1 4.01 0.01 . 1 . . . . . . . . 5040 1 53 . 1 1 9 9 LYS HB2 H 1 1.47 0.01 . 2 . . . . . . . . 5040 1 54 . 1 1 9 9 LYS C C 13 176.4 0.2 . 1 . . . . . . . . 5040 1 55 . 1 1 9 9 LYS CA C 13 56.1 0.2 . 1 . . . . . . . . 5040 1 56 . 1 1 9 9 LYS CB C 13 32.8 0.2 . 1 . . . . . . . . 5040 1 57 . 1 1 9 9 LYS N N 15 123.0 0.2 . 1 . . . . . . . . 5040 1 58 . 1 1 10 10 ILE H H 1 8.18 0.01 . 1 . . . . . . . . 5040 1 59 . 1 1 10 10 ILE HA H 1 3.79 0.01 . 1 . . . . . . . . 5040 1 60 . 1 1 10 10 ILE HB H 1 1.48 0.01 . 1 . . . . . . . . 5040 1 61 . 1 1 10 10 ILE C C 13 175.8 0.2 . 1 . . . . . . . . 5040 1 62 . 1 1 10 10 ILE CA C 13 60.9 0.2 . 1 . . . . . . . . 5040 1 63 . 1 1 10 10 ILE CB C 13 38.5 0.2 . 1 . . . . . . . . 5040 1 64 . 1 1 10 10 ILE N N 15 122.7 0.2 . 1 . . . . . . . . 5040 1 65 . 1 1 11 11 GLN H H 1 8.38 0.01 . 1 . . . . . . . . 5040 1 66 . 1 1 11 11 GLN HA H 1 4.02 0.01 . 1 . . . . . . . . 5040 1 67 . 1 1 11 11 GLN HB2 H 1 1.59 0.01 . 1 . . . . . . . . 5040 1 68 . 1 1 11 11 GLN HB3 H 1 1.67 0.01 . 1 . . . . . . . . 5040 1 69 . 1 1 11 11 GLN C C 13 175.2 0.2 . 1 . . . . . . . . 5040 1 70 . 1 1 11 11 GLN CA C 13 55.3 0.2 . 1 . . . . . . . . 5040 1 71 . 1 1 11 11 GLN CB C 13 29.5 0.2 . 1 . . . . . . . . 5040 1 72 . 1 1 11 11 GLN N N 15 124.1 0.2 . 1 . . . . . . . . 5040 1 73 . 1 1 12 12 PHE H H 1 8.3 0.01 . 1 . . . . . . . . 5040 1 74 . 1 1 12 12 PHE HA H 1 4.41 0.01 . 1 . . . . . . . . 5040 1 75 . 1 1 12 12 PHE HB2 H 1 2.85 0.01 . 1 . . . . . . . . 5040 1 76 . 1 1 12 12 PHE HB3 H 1 2.71 0.01 . 1 . . . . . . . . 5040 1 77 . 1 1 12 12 PHE C C 13 175.5 0.2 . 1 . . . . . . . . 5040 1 78 . 1 1 12 12 PHE CA C 13 57.2 0.2 . 1 . . . . . . . . 5040 1 79 . 1 1 12 12 PHE CB C 13 39.6 0.2 . 1 . . . . . . . . 5040 1 80 . 1 1 12 12 PHE N N 15 122.9 0.2 . 1 . . . . . . . . 5040 1 81 . 1 1 13 13 THR H H 1 8.14 0.01 . 1 . . . . . . . . 5040 1 82 . 1 1 13 13 THR HA H 1 4.02 0.01 . 1 . . . . . . . . 5040 1 83 . 1 1 13 13 THR HB H 1 3.79 0.01 . 1 . . . . . . . . 5040 1 84 . 1 1 13 13 THR C C 13 173.6 0.2 . 1 . . . . . . . . 5040 1 85 . 1 1 13 13 THR CA C 13 61.3 0.2 . 1 . . . . . . . . 5040 1 86 . 1 1 13 13 THR CB C 13 69.8 0.2 . 1 . . . . . . . . 5040 1 87 . 1 1 13 13 THR N N 15 116.9 0.2 . 1 . . . . . . . . 5040 1 88 . 1 1 14 14 VAL H H 1 8.17 0.01 . 1 . . . . . . . . 5040 1 89 . 1 1 14 14 VAL HA H 1 4.04 0.01 . 1 . . . . . . . . 5040 1 90 . 1 1 14 14 VAL HB H 1 1.79 0.01 . 1 . . . . . . . . 5040 1 91 . 1 1 14 14 VAL C C 13 177.7 0.2 . 1 . . . . . . . . 5040 1 92 . 1 1 14 14 VAL CA C 13 59.7 0.2 . 1 . . . . . . . . 5040 1 93 . 1 1 14 14 VAL CB C 13 32.4 0.2 . 1 . . . . . . . . 5040 1 94 . 1 1 14 14 VAL N N 15 123.8 0.2 . 1 . . . . . . . . 5040 1 95 . 1 1 15 15 PRO HA H 1 4.08 0.01 . 1 . . . . . . . . 5040 1 96 . 1 1 15 15 PRO HB2 H 1 1.97 0.01 . 1 . . . . . . . . 5040 1 97 . 1 1 15 15 PRO HB3 H 1 1.56 0.01 . 1 . . . . . . . . 5040 1 98 . 1 1 15 15 PRO C C 13 176.5 0.2 . 1 . . . . . . . . 5040 1 99 . 1 1 15 15 PRO CA C 13 63.0 0.2 . 1 . . . . . . . . 5040 1 100 . 1 1 15 15 PRO CB C 13 31.9 0.2 . 1 . . . . . . . . 5040 1 101 . 1 1 16 16 LEU H H 1 8.26 0.01 . 1 . . . . . . . . 5040 1 102 . 1 1 16 16 LEU HA H 1 4.01 0.01 . 1 . . . . . . . . 5040 1 103 . 1 1 16 16 LEU HB2 H 1 1.28 0.01 . 2 . . . . . . . . 5040 1 104 . 1 1 16 16 LEU C C 13 177.1 0.2 . 1 . . . . . . . . 5040 1 105 . 1 1 16 16 LEU CA C 13 54.9 0.2 . 1 . . . . . . . . 5040 1 106 . 1 1 16 16 LEU CB C 13 42.2 0.2 . 1 . . . . . . . . 5040 1 107 . 1 1 16 16 LEU N N 15 122.5 0.2 . 1 . . . . . . . . 5040 1 108 . 1 1 17 17 LEU H H 1 8.21 0.01 . 1 . . . . . . . . 5040 1 109 . 1 1 17 17 LEU HA H 1 4.08 0.01 . 1 . . . . . . . . 5040 1 110 . 1 1 17 17 LEU HB2 H 1 1.28 0.01 . 2 . . . . . . . . 5040 1 111 . 1 1 17 17 LEU C C 13 176.8 0.2 . 1 . . . . . . . . 5040 1 112 . 1 1 17 17 LEU CA C 13 54.5 0.2 . 1 . . . . . . . . 5040 1 113 . 1 1 17 17 LEU CB C 13 42.2 0.2 . 1 . . . . . . . . 5040 1 114 . 1 1 17 17 LEU N N 15 123.3 0.2 . 1 . . . . . . . . 5040 1 115 . 1 1 18 18 GLU H H 1 8.29 0.01 . 1 . . . . . . . . 5040 1 116 . 1 1 18 18 GLU HA H 1 4.27 0.01 . 1 . . . . . . . . 5040 1 117 . 1 1 18 18 GLU HB2 H 1 1.72 0.01 . 1 . . . . . . . . 5040 1 118 . 1 1 18 18 GLU HB3 H 1 1.58 0.01 . 1 . . . . . . . . 5040 1 119 . 1 1 18 18 GLU C C 13 174.3 0.2 . 1 . . . . . . . . 5040 1 120 . 1 1 18 18 GLU CA C 13 54.1 0.2 . 1 . . . . . . . . 5040 1 121 . 1 1 18 18 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 5040 1 122 . 1 1 18 18 GLU N N 15 123.2 0.2 . 1 . . . . . . . . 5040 1 123 . 1 1 19 19 PRO HA H 1 4.07 0.01 . 1 . . . . . . . . 5040 1 124 . 1 1 19 19 PRO HB2 H 1 1.94 0.01 . 1 . . . . . . . . 5040 1 125 . 1 1 19 19 PRO HB3 H 1 1.52 0.01 . 1 . . . . . . . . 5040 1 126 . 1 1 19 19 PRO C C 13 176.6 0.2 . 1 . . . . . . . . 5040 1 127 . 1 1 19 19 PRO CA C 13 63.1 0.2 . 1 . . . . . . . . 5040 1 128 . 1 1 19 19 PRO CB C 13 31.9 0.2 . 1 . . . . . . . . 5040 1 129 . 1 1 20 20 HIS H H 1 8.58 0.01 . 1 . . . . . . . . 5040 1 130 . 1 1 20 20 HIS HA H 1 4.35 0.01 . 1 . . . . . . . . 5040 1 131 . 1 1 20 20 HIS HB2 H 1 2.88 0.01 . 2 . . . . . . . . 5040 1 132 . 1 1 20 20 HIS C C 13 174.2 0.2 . 1 . . . . . . . . 5040 1 133 . 1 1 20 20 HIS CA C 13 55.3 0.2 . 1 . . . . . . . . 5040 1 134 . 1 1 20 20 HIS CB C 13 29.2 0.2 . 1 . . . . . . . . 5040 1 135 . 1 1 20 20 HIS N N 15 118.8 0.2 . 1 . . . . . . . . 5040 1 136 . 1 1 21 21 LEU H H 1 8.25 0.01 . 1 . . . . . . . . 5040 1 137 . 1 1 21 21 LEU HA H 1 4.06 0.01 . 1 . . . . . . . . 5040 1 138 . 1 1 21 21 LEU HB2 H 1 1.24 0.01 . 2 . . . . . . . . 5040 1 139 . 1 1 21 21 LEU C C 13 176.4 0.2 . 1 . . . . . . . . 5040 1 140 . 1 1 21 21 LEU CA C 13 54.6 0.2 . 1 . . . . . . . . 5040 1 141 . 1 1 21 21 LEU CB C 13 42.6 0.2 . 1 . . . . . . . . 5040 1 142 . 1 1 21 21 LEU N N 15 124.2 0.2 . 1 . . . . . . . . 5040 1 143 . 1 1 22 22 ASP H H 1 8.4 0.2 . 1 . . . . . . . . 5040 1 144 . 1 1 22 22 ASP HA H 1 4.08 0.01 . 1 . . . . . . . . 5040 1 145 . 1 1 22 22 ASP HB2 H 1 2.51 0.01 . 1 . . . . . . . . 5040 1 146 . 1 1 22 22 ASP HB3 H 1 2.31 0.01 . 1 . . . . . . . . 5040 1 147 . 1 1 22 22 ASP C C 13 174.9 0.2 . 1 . . . . . . . . 5040 1 148 . 1 1 22 22 ASP CA C 13 52.0 0.2 . 1 . . . . . . . . 5040 1 149 . 1 1 22 22 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 5040 1 150 . 1 1 22 22 ASP N N 15 123.1 0.2 . 1 . . . . . . . . 5040 1 151 . 1 1 23 23 PRO HA H 1 4.07 0.01 . 1 . . . . . . . . 5040 1 152 . 1 1 23 23 PRO HB2 H 1 2.04 0.01 . 1 . . . . . . . . 5040 1 153 . 1 1 23 23 PRO HB3 H 1 1.70 0.01 . 1 . . . . . . . . 5040 1 154 . 1 1 23 23 PRO C C 13 178.0 0.2 . 1 . . . . . . . . 5040 1 155 . 1 1 23 23 PRO CA C 13 64.2 0.2 . 1 . . . . . . . . 5040 1 156 . 1 1 23 23 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 5040 1 157 . 1 1 24 24 GLU H H 1 8.45 0.01 . 1 . . . . . . . . 5040 1 158 . 1 1 24 24 GLU HA H 1 3.93 0.01 . 1 . . . . . . . . 5040 1 159 . 1 1 24 24 GLU HB2 H 1 1.80 0.01 . 1 . . . . . . . . 5040 1 160 . 1 1 24 24 GLU HB3 H 1 1.70 0.01 . 1 . . . . . . . . 5040 1 161 . 1 1 24 24 GLU C C 13 177.3 0.2 . 1 . . . . . . . . 5040 1 162 . 1 1 24 24 GLU CA C 13 57.2 0.2 . 1 . . . . . . . . 5040 1 163 . 1 1 24 24 GLU CB C 13 29.4 0.2 . 1 . . . . . . . . 5040 1 164 . 1 1 24 24 GLU N N 15 118.8 0.2 . 1 . . . . . . . . 5040 1 165 . 1 1 25 25 ALA H H 1 7.96 0.01 . 1 . . . . . . . . 5040 1 166 . 1 1 25 25 ALA HA H 1 3.93 0.01 . 1 . . . . . . . . 5040 1 167 . 1 1 25 25 ALA HB1 H 1 1.16 0.01 . 1 . . . . . . . . 5040 1 168 . 1 1 25 25 ALA HB2 H 1 1.16 0.01 . 1 . . . . . . . . 5040 1 169 . 1 1 25 25 ALA HB3 H 1 1.16 0.01 . 1 . . . . . . . . 5040 1 170 . 1 1 25 25 ALA C C 13 178.8 0.2 . 1 . . . . . . . . 5040 1 171 . 1 1 25 25 ALA CA C 13 53.3 0.2 . 1 . . . . . . . . 5040 1 172 . 1 1 25 25 ALA CB C 13 18.7 0.2 . 1 . . . . . . . . 5040 1 173 . 1 1 25 25 ALA N N 15 123.6 0.2 . 1 . . . . . . . . 5040 1 174 . 1 1 26 26 ALA H H 1 8.23 0.01 . 1 . . . . . . . . 5040 1 175 . 1 1 26 26 ALA HA H 1 3.89 0.01 . 1 . . . . . . . . 5040 1 176 . 1 1 26 26 ALA HB1 H 1 1.13 0.01 . 1 . . . . . . . . 5040 1 177 . 1 1 26 26 ALA HB2 H 1 1.13 0.01 . 1 . . . . . . . . 5040 1 178 . 1 1 26 26 ALA HB3 H 1 1.13 0.01 . 1 . . . . . . . . 5040 1 179 . 1 1 26 26 ALA C C 13 179.0 0.2 . 1 . . . . . . . . 5040 1 180 . 1 1 26 26 ALA CA C 13 53.4 0.2 . 1 . . . . . . . . 5040 1 181 . 1 1 26 26 ALA CB C 13 18.6 0.2 . 1 . . . . . . . . 5040 1 182 . 1 1 26 26 ALA N N 15 122.2 0.2 . 1 . . . . . . . . 5040 1 183 . 1 1 27 27 GLU H H 1 8.24 0.01 . 1 . . . . . . . . 5040 1 184 . 1 1 27 27 GLU HA H 1 3.89 0.01 . 1 . . . . . . . . 5040 1 185 . 1 1 27 27 GLU HB2 H 1 1.76 0.01 . 2 . . . . . . . . 5040 1 186 . 1 1 27 27 GLU C C 13 177.7 0.2 . 1 . . . . . . . . 5040 1 187 . 1 1 27 27 GLU CA C 13 57.5 0.2 . 1 . . . . . . . . 5040 1 188 . 1 1 27 27 GLU CB C 13 29.2 0.2 . 1 . . . . . . . . 5040 1 189 . 1 1 27 27 GLU N N 15 119.2 0.2 . 1 . . . . . . . . 5040 1 190 . 1 1 28 28 GLN H H 1 8.24 0.01 . 1 . . . . . . . . 5040 1 191 . 1 1 28 28 GLN HA H 1 3.90 0.01 . 1 . . . . . . . . 5040 1 192 . 1 1 28 28 GLN HB2 H 1 1.83 0.01 . 2 . . . . . . . . 5040 1 193 . 1 1 28 28 GLN C C 13 177.4 0.2 . 1 . . . . . . . . 5040 1 194 . 1 1 28 28 GLN CA C 13 57.2 0.2 . 1 . . . . . . . . 5040 1 195 . 1 1 28 28 GLN CB C 13 28.6 0.2 . 1 . . . . . . . . 5040 1 196 . 1 1 28 28 GLN N N 15 119.2 0.2 . 1 . . . . . . . . 5040 1 197 . 1 1 29 29 THR H H 1 8 0.01 . 1 . . . . . . . . 5040 1 198 . 1 1 29 29 THR HA H 1 3.95 0.01 . 1 . . . . . . . . 5040 1 199 . 1 1 29 29 THR HB H 1 3.88 0.01 . 1 . . . . . . . . 5040 1 200 . 1 1 29 29 THR C C 13 175.3 0.2 . 1 . . . . . . . . 5040 1 201 . 1 1 29 29 THR CA C 13 63.4 0.2 . 1 . . . . . . . . 5040 1 202 . 1 1 29 29 THR CB C 13 69.1 0.2 . 1 . . . . . . . . 5040 1 203 . 1 1 29 29 THR N N 15 113.3 0.2 . 1 . . . . . . . . 5040 1 204 . 1 1 30 30 ARG H H 1 8.02 0.01 . 1 . . . . . . . . 5040 1 205 . 1 1 30 30 ARG HA H 1 3.96 0.01 . 1 . . . . . . . . 5040 1 206 . 1 1 30 30 ARG HB2 H 1 1.54 0.01 . 2 . . . . . . . . 5040 1 207 . 1 1 30 30 ARG C C 13 176.7 0.2 . 1 . . . . . . . . 5040 1 208 . 1 1 30 30 ARG CA C 13 56.9 0.2 . 1 . . . . . . . . 5040 1 209 . 1 1 30 30 ARG CB C 13 30.3 0.2 . 1 . . . . . . . . 5040 1 210 . 1 1 30 30 ARG N N 15 122.1 0.2 . 1 . . . . . . . . 5040 1 211 . 1 1 31 31 ARG H H 1 8.08 0.01 . 1 . . . . . . . . 5040 1 212 . 1 1 31 31 ARG HA H 1 3.98 0.01 . 1 . . . . . . . . 5040 1 213 . 1 1 31 31 ARG HB2 H 1 1.51 0.01 . 2 . . . . . . . . 5040 1 214 . 1 1 31 31 ARG C C 13 176.3 0.2 . 1 . . . . . . . . 5040 1 215 . 1 1 31 31 ARG CA C 13 56.2 0.2 . 1 . . . . . . . . 5040 1 216 . 1 1 31 31 ARG CB C 13 30.5 0.2 . 1 . . . . . . . . 5040 1 217 . 1 1 31 31 ARG N N 15 120.3 0.2 . 1 . . . . . . . . 5040 1 218 . 1 1 32 32 ARG H H 1 8.15 0.01 . 1 . . . . . . . . 5040 1 219 . 1 1 32 32 ARG HA H 1 4.02 0.01 . 1 . . . . . . . . 5040 1 220 . 1 1 32 32 ARG HB2 H 1 1.55 0.01 . 1 . . . . . . . . 5040 1 221 . 1 1 32 32 ARG HB3 H 1 1.49 0.01 . 1 . . . . . . . . 5040 1 222 . 1 1 32 32 ARG C C 13 176.0 0.2 . 1 . . . . . . . . 5040 1 223 . 1 1 32 32 ARG CA C 13 55.8 0.2 . 1 . . . . . . . . 5040 1 224 . 1 1 32 32 ARG CB C 13 30.7 0.2 . 1 . . . . . . . . 5040 1 225 . 1 1 32 32 ARG N N 15 121.5 0.2 . 1 . . . . . . . . 5040 1 226 . 1 1 33 33 ARG H H 1 8.34 0.01 . 1 . . . . . . . . 5040 1 227 . 1 1 33 33 ARG HA H 1 4.32 0.01 . 1 . . . . . . . . 5040 1 228 . 1 1 33 33 ARG HB2 H 1 1.51 0.01 . 2 . . . . . . . . 5040 1 229 . 1 1 33 33 ARG C C 13 174.1 0.2 . 1 . . . . . . . . 5040 1 230 . 1 1 33 33 ARG CA C 13 53.8 0.2 . 1 . . . . . . . . 5040 1 231 . 1 1 33 33 ARG CB C 13 30.1 0.2 . 1 . . . . . . . . 5040 1 232 . 1 1 33 33 ARG N N 15 123.6 0.2 . 1 . . . . . . . . 5040 1 233 . 1 1 34 34 PRO HA H 1 4.19 0.01 . 1 . . . . . . . . 5040 1 234 . 1 1 34 34 PRO HB2 H 1 1.99 0.01 . 1 . . . . . . . . 5040 1 235 . 1 1 34 34 PRO HB3 H 1 1.59 0.01 . 1 . . . . . . . . 5040 1 236 . 1 1 34 34 PRO C C 13 176.7 0.2 . 1 . . . . . . . . 5040 1 237 . 1 1 34 34 PRO CA C 13 62.9 0.2 . 1 . . . . . . . . 5040 1 238 . 1 1 34 34 PRO CB C 13 31.9 0.2 . 1 . . . . . . . . 5040 1 239 . 1 1 35 35 THR H H 1 8.34 0.01 . 1 . . . . . . . . 5040 1 240 . 1 1 35 35 THR HA H 1 4.27 0.01 . 1 . . . . . . . . 5040 1 241 . 1 1 35 35 THR HB H 1 3.87 0.01 . 1 . . . . . . . . 5040 1 242 . 1 1 35 35 THR C C 13 172.9 0.2 . 1 . . . . . . . . 5040 1 243 . 1 1 35 35 THR CA C 13 59.9 0.2 . 1 . . . . . . . . 5040 1 244 . 1 1 35 35 THR CB C 13 69.6 0.2 . 1 . . . . . . . . 5040 1 245 . 1 1 35 35 THR N N 15 117.2 0.2 . 1 . . . . . . . . 5040 1 246 . 1 1 36 36 PRO HA H 1 4.07 0.01 . 1 . . . . . . . . 5040 1 247 . 1 1 36 36 PRO HB2 H 1 2.03 0.01 . 1 . . . . . . . . 5040 1 248 . 1 1 36 36 PRO HB3 H 1 1.64 0.01 . 1 . . . . . . . . 5040 1 249 . 1 1 36 36 PRO C C 13 176.7 0.2 . 1 . . . . . . . . 5040 1 250 . 1 1 36 36 PRO CA C 13 63.1 0.2 . 1 . . . . . . . . 5040 1 251 . 1 1 36 36 PRO CB C 13 32.1 0.2 . 1 . . . . . . . . 5040 1 252 . 1 1 37 37 ALA H H 1 8.43 0.01 . 1 . . . . . . . . 5040 1 253 . 1 1 37 37 ALA HA H 1 4.02 0.01 . 1 . . . . . . . . 5040 1 254 . 1 1 37 37 ALA HB1 H 1 1.11 0.01 . 1 . . . . . . . . 5040 1 255 . 1 1 37 37 ALA HB2 H 1 1.11 0.01 . 1 . . . . . . . . 5040 1 256 . 1 1 37 37 ALA HB3 H 1 1.11 0.01 . 1 . . . . . . . . 5040 1 257 . 1 1 37 37 ALA C C 13 178.0 0.2 . 1 . . . . . . . . 5040 1 258 . 1 1 37 37 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 5040 1 259 . 1 1 37 37 ALA CB C 13 19.0 0.2 . 1 . . . . . . . . 5040 1 260 . 1 1 37 37 ALA N N 15 123.9 0.2 . 1 . . . . . . . . 5040 1 261 . 1 1 38 38 THR H H 1 8.03 0.01 . 1 . . . . . . . . 5040 1 262 . 1 1 38 38 THR HA H 1 3.98 0.01 . 1 . . . . . . . . 5040 1 263 . 1 1 38 38 THR HB H 1 3.88 0.01 . 1 . . . . . . . . 5040 1 264 . 1 1 38 38 THR C C 13 174.2 0.2 . 1 . . . . . . . . 5040 1 265 . 1 1 38 38 THR CA C 13 61.6 0.2 . 1 . . . . . . . . 5040 1 266 . 1 1 38 38 THR CB C 13 69.4 0.2 . 1 . . . . . . . . 5040 1 267 . 1 1 38 38 THR N N 15 113.0 0.2 . 1 . . . . . . . . 5040 1 268 . 1 1 39 39 LEU H H 1 8.19 0.01 . 1 . . . . . . . . 5040 1 269 . 1 1 39 39 LEU HA H 1 4.08 0.01 . 1 . . . . . . . . 5040 1 270 . 1 1 39 39 LEU HB2 H 1 1.30 0.01 . 2 . . . . . . . . 5040 1 271 . 1 1 39 39 LEU C C 13 176.7 0.2 . 1 . . . . . . . . 5040 1 272 . 1 1 39 39 LEU CA C 13 55.1 0.2 . 1 . . . . . . . . 5040 1 273 . 1 1 39 39 LEU CB C 13 42.4 0.2 . 1 . . . . . . . . 5040 1 274 . 1 1 39 39 LEU N N 15 124.8 0.2 . 1 . . . . . . . . 5040 1 275 . 1 1 40 40 VAL H H 1 8.14 0.01 . 1 . . . . . . . . 5040 1 276 . 1 1 40 40 VAL HA H 1 3.79 0.01 . 1 . . . . . . . . 5040 1 277 . 1 1 40 40 VAL HB H 1 1.74 0.01 . 1 . . . . . . . . 5040 1 278 . 1 1 40 40 VAL C C 13 175.9 0.2 . 1 . . . . . . . . 5040 1 279 . 1 1 40 40 VAL CA C 13 62.0 0.2 . 1 . . . . . . . . 5040 1 280 . 1 1 40 40 VAL CB C 13 32.5 0.2 . 1 . . . . . . . . 5040 1 281 . 1 1 40 40 VAL N N 15 122.3 0.2 . 1 . . . . . . . . 5040 1 282 . 1 1 41 41 LEU H H 1 8.42 0.01 . 1 . . . . . . . . 5040 1 283 . 1 1 41 41 LEU HA H 1 4.19 0.01 . 1 . . . . . . . . 5040 1 284 . 1 1 41 41 LEU HB2 H 1 1.37 0.01 . 1 . . . . . . . . 5040 1 285 . 1 1 41 41 LEU HB3 H 1 1.30 0.01 . 1 . . . . . . . . 5040 1 286 . 1 1 41 41 LEU C C 13 177.5 0.2 . 1 . . . . . . . . 5040 1 287 . 1 1 41 41 LEU CA C 13 54.8 0.2 . 1 . . . . . . . . 5040 1 288 . 1 1 41 41 LEU CB C 13 42.3 0.2 . 1 . . . . . . . . 5040 1 289 . 1 1 41 41 LEU N N 15 126.6 0.2 . 1 . . . . . . . . 5040 1 290 . 1 1 42 42 THR H H 1 8.17 0.01 . 1 . . . . . . . . 5040 1 291 . 1 1 42 42 THR HA H 1 4.11 0.01 . 1 . . . . . . . . 5040 1 292 . 1 1 42 42 THR HB H 1 4.00 0.01 . 1 . . . . . . . . 5040 1 293 . 1 1 42 42 THR C C 13 174.6 0.2 . 1 . . . . . . . . 5040 1 294 . 1 1 42 42 THR CA C 13 61.3 0.2 . 1 . . . . . . . . 5040 1 295 . 1 1 42 42 THR CB C 13 69.7 0.2 . 1 . . . . . . . . 5040 1 296 . 1 1 42 42 THR N N 15 114.4 0.2 . 1 . . . . . . . . 5040 1 297 . 1 1 43 43 SER H H 1 8.36 0.01 . 1 . . . . . . . . 5040 1 298 . 1 1 43 43 SER HA H 1 4.17 0.01 . 1 . . . . . . . . 5040 1 299 . 1 1 43 43 SER HB2 H 1 3.61 0.01 . 1 . . . . . . . . 5040 1 300 . 1 1 43 43 SER HB3 H 1 3.56 0.01 . 1 . . . . . . . . 5040 1 301 . 1 1 43 43 SER C C 13 174.3 0.2 . 1 . . . . . . . . 5040 1 302 . 1 1 43 43 SER CA C 13 58.2 0.2 . 1 . . . . . . . . 5040 1 303 . 1 1 43 43 SER CB C 13 63.7 0.2 . 1 . . . . . . . . 5040 1 304 . 1 1 43 43 SER N N 15 117.3 0.2 . 1 . . . . . . . . 5040 1 305 . 1 1 44 44 ASP H H 1 8.4 0.01 . 1 . . . . . . . . 5040 1 306 . 1 1 44 44 ASP HA H 1 4.32 0.01 . 1 . . . . . . . . 5040 1 307 . 1 1 44 44 ASP HB2 H 1 2.40 0.01 . 2 . . . . . . . . 5040 1 308 . 1 1 44 44 ASP C C 13 176.2 0.2 . 1 . . . . . . . . 5040 1 309 . 1 1 44 44 ASP CA C 13 54.3 0.2 . 1 . . . . . . . . 5040 1 310 . 1 1 44 44 ASP CB C 13 40.8 0.2 . 1 . . . . . . . . 5040 1 311 . 1 1 44 44 ASP N N 15 122.1 0.2 . 1 . . . . . . . . 5040 1 312 . 1 1 45 45 GLN H H 1 8.29 0.01 . 1 . . . . . . . . 5040 1 313 . 1 1 45 45 GLN HA H 1 4.07 0.01 . 1 . . . . . . . . 5040 1 314 . 1 1 45 45 GLN HB2 H 1 1.89 0.01 . 1 . . . . . . . . 5040 1 315 . 1 1 45 45 GLN HB3 H 1 1.69 0.01 . 1 . . . . . . . . 5040 1 316 . 1 1 45 45 GLN C C 13 178.2 0.2 . 1 . . . . . . . . 5040 1 317 . 1 1 45 45 GLN CA C 13 55.7 0.2 . 1 . . . . . . . . 5040 1 318 . 1 1 45 45 GLN CB C 13 29.2 0.2 . 1 . . . . . . . . 5040 1 319 . 1 1 45 45 GLN N N 15 120.2 0.2 . 1 . . . . . . . . 5040 1 320 . 1 1 46 46 SER H H 1 8.34 0.01 . 1 . . . . . . . . 5040 1 321 . 1 1 46 46 SER HA H 1 4.16 0.01 . 1 . . . . . . . . 5040 1 322 . 1 1 46 46 SER HB2 H 1 3.57 0.01 . 2 . . . . . . . . 5040 1 323 . 1 1 46 46 SER C C 13 174.1 0.2 . 1 . . . . . . . . 5040 1 324 . 1 1 46 46 SER CA C 13 58.4 0.2 . 1 . . . . . . . . 5040 1 325 . 1 1 46 46 SER CB C 13 63.7 0.2 . 1 . . . . . . . . 5040 1 326 . 1 1 46 46 SER N N 15 116.8 0.2 . 1 . . . . . . . . 5040 1 327 . 1 1 47 47 SER H H 1 8.34 0.01 . 1 . . . . . . . . 5040 1 328 . 1 1 47 47 SER HA H 1 4.49 0.01 . 1 . . . . . . . . 5040 1 329 . 1 1 47 47 SER HB2 H 1 3.56 0.01 . 2 . . . . . . . . 5040 1 330 . 1 1 47 47 SER C C 13 172.7 0.2 . 1 . . . . . . . . 5040 1 331 . 1 1 47 47 SER CA C 13 56.3 0.2 . 1 . . . . . . . . 5040 1 332 . 1 1 47 47 SER CB C 13 63.3 0.2 . 1 . . . . . . . . 5040 1 333 . 1 1 47 47 SER N N 15 118.7 0.2 . 1 . . . . . . . . 5040 1 334 . 1 1 48 48 PRO HA H 1 3.98 0.01 . 1 . . . . . . . . 5040 1 335 . 1 1 48 48 PRO HB2 H 1 1.98 0.01 . 1 . . . . . . . . 5040 1 336 . 1 1 48 48 PRO HB3 H 1 1.63 0.01 . 1 . . . . . . . . 5040 1 337 . 1 1 48 48 PRO C C 13 176.8 0.2 . 1 . . . . . . . . 5040 1 338 . 1 1 48 48 PRO CA C 13 63.4 0.2 . 1 . . . . . . . . 5040 1 339 . 1 1 48 48 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 5040 1 340 . 1 1 49 49 GLU H H 1 8.51 0.01 . 1 . . . . . . . . 5040 1 341 . 1 1 49 49 GLU HA H 1 3.97 0.01 . 1 . . . . . . . . 5040 1 342 . 1 1 49 49 GLU HB2 H 1 1.72 0.01 . 1 . . . . . . . . 5040 1 343 . 1 1 49 49 GLU HB3 H 1 1.61 0.01 . 1 . . . . . . . . 5040 1 344 . 1 1 49 49 GLU C C 13 176.4 0.2 . 1 . . . . . . . . 5040 1 345 . 1 1 49 49 GLU CA C 13 56.7 0.2 . 1 . . . . . . . . 5040 1 346 . 1 1 49 49 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 5040 1 347 . 1 1 49 49 GLU N N 15 120.6 0.2 . 1 . . . . . . . . 5040 1 348 . 1 1 50 50 ILE H H 1 8.13 0.01 . 1 . . . . . . . . 5040 1 349 . 1 1 50 50 ILE HA H 1 3.88 0.01 . 1 . . . . . . . . 5040 1 350 . 1 1 50 50 ILE HB H 1 1.57 0.01 . 1 . . . . . . . . 5040 1 351 . 1 1 50 50 ILE C C 13 175.75 0.2 . 1 . . . . . . . . 5040 1 352 . 1 1 50 50 ILE CA C 13 60.9 0.2 . 1 . . . . . . . . 5040 1 353 . 1 1 50 50 ILE CB C 13 38.9 0.2 . 1 . . . . . . . . 5040 1 354 . 1 1 50 50 ILE N N 15 121.2 0.2 . 1 . . . . . . . . 5040 1 355 . 1 1 51 51 ASP H H 1 8.38 0.01 . 1 . . . . . . . . 5040 1 356 . 1 1 51 51 ASP HA H 1 4.32 0.01 . 1 . . . . . . . . 5040 1 357 . 1 1 51 51 ASP HB2 H 1 2.43 0.01 . 1 . . . . . . . . 5040 1 358 . 1 1 51 51 ASP HB3 H 1 2.30 0.01 . 1 . . . . . . . . 5040 1 359 . 1 1 51 51 ASP C C 13 175.2 0.2 . 1 . . . . . . . . 5040 1 360 . 1 1 51 51 ASP CA C 13 54.2 0.2 . 1 . . . . . . . . 5040 1 361 . 1 1 51 51 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 5040 1 362 . 1 1 51 51 ASP N N 15 124.4 0.2 . 1 . . . . . . . . 5040 1 363 . 1 1 52 52 GLU H H 1 8.47 0.01 . 1 . . . . . . . . 5040 1 364 . 1 1 52 52 GLU HA H 1 3.90 0.01 . 1 . . . . . . . . 5040 1 365 . 1 1 52 52 GLU HB2 H 1 1.77 0.01 . 1 . . . . . . . . 5040 1 366 . 1 1 52 52 GLU HB3 H 1 1.66 0.01 . 1 . . . . . . . . 5040 1 367 . 1 1 52 52 GLU C C 13 176.4 0.2 . 1 . . . . . . . . 5040 1 368 . 1 1 52 52 GLU CA C 13 57.2 0.2 . 1 . . . . . . . . 5040 1 369 . 1 1 52 52 GLU CB C 13 30.0 0.2 . 1 . . . . . . . . 5040 1 370 . 1 1 52 52 GLU N N 15 121.8 0.2 . 1 . . . . . . . . 5040 1 371 . 1 1 53 53 ASP H H 1 8.39 0.01 . 1 . . . . . . . . 5040 1 372 . 1 1 53 53 ASP HA H 1 4.29 0.01 . 1 . . . . . . . . 5040 1 373 . 1 1 53 53 ASP HB2 H 1 2.41 0.01 . 1 . . . . . . . . 5040 1 374 . 1 1 53 53 ASP HB3 H 1 2.35 0.01 . 1 . . . . . . . . 5040 1 375 . 1 1 53 53 ASP C C 13 176.3 0.2 . 1 . . . . . . . . 5040 1 376 . 1 1 53 53 ASP CA C 13 54.6 0.2 . 1 . . . . . . . . 5040 1 377 . 1 1 53 53 ASP CB C 13 40.7 0.2 . 1 . . . . . . . . 5040 1 378 . 1 1 53 53 ASP N N 15 119.9 0.2 . 1 . . . . . . . . 5040 1 379 . 1 1 54 54 ARG H H 1 8.02 0.01 . 1 . . . . . . . . 5040 1 380 . 1 1 54 54 ARG HA H 1 4.01 0.01 . 1 . . . . . . . . 5040 1 381 . 1 1 54 54 ARG HB2 H 1 1.46 0.01 . 1 . . . . . . . . 5040 1 382 . 1 1 54 54 ARG HB3 H 1 1.58 0.01 . 1 . . . . . . . . 5040 1 383 . 1 1 54 54 ARG C C 13 176.0 0.2 . 1 . . . . . . . . 5040 1 384 . 1 1 54 54 ARG CA C 13 56.0 0.2 . 1 . . . . . . . . 5040 1 385 . 1 1 54 54 ARG CB C 13 30.5 0.2 . 1 . . . . . . . . 5040 1 386 . 1 1 54 54 ARG N N 15 119.9 0.2 . 1 . . . . . . . . 5040 1 387 . 1 1 55 55 ILE H H 1 8 0.01 . 1 . . . . . . . . 5040 1 388 . 1 1 55 55 ILE HA H 1 4.12 0.01 . 1 . . . . . . . . 5040 1 389 . 1 1 55 55 ILE HB H 1 1.59 0.01 . 1 . . . . . . . . 5040 1 390 . 1 1 55 55 ILE C C 13 174.5 0.2 . 1 . . . . . . . . 5040 1 391 . 1 1 55 55 ILE CA C 13 58.7 0.2 . 1 . . . . . . . . 5040 1 392 . 1 1 55 55 ILE CB C 13 38.2 0.2 . 1 . . . . . . . . 5040 1 393 . 1 1 55 55 ILE N N 15 122.4 0.2 . 1 . . . . . . . . 5040 1 394 . 1 1 56 56 PRO HA H 1 4.07 0.01 . 1 . . . . . . . . 5040 1 395 . 1 1 56 56 PRO HB2 H 1 1.95 0.01 . 1 . . . . . . . . 5040 1 396 . 1 1 56 56 PRO HB3 H 1 1.55 0.01 . 1 . . . . . . . . 5040 1 397 . 1 1 56 56 PRO C C 13 176.2 0.2 . 1 . . . . . . . . 5040 1 398 . 1 1 56 56 PRO CA C 13 63.1 0.2 . 1 . . . . . . . . 5040 1 399 . 1 1 56 56 PRO CB C 13 31.8 0.2 . 1 . . . . . . . . 5040 1 400 . 1 1 57 57 ASN H H 1 8.46 0.01 . 1 . . . . . . . . 5040 1 401 . 1 1 57 57 ASN HA H 1 4.63 0.01 . 1 . . . . . . . . 5040 1 402 . 1 1 57 57 ASN HB2 H 1 2.54 0.01 . 1 . . . . . . . . 5040 1 403 . 1 1 57 57 ASN HB3 H 1 2.48 0.01 . 1 . . . . . . . . 5040 1 404 . 1 1 57 57 ASN C C 13 174.0 0.2 . 1 . . . . . . . . 5040 1 405 . 1 1 57 57 ASN CA C 13 51.0 0.2 . 1 . . . . . . . . 5040 1 406 . 1 1 57 57 ASN CB C 13 38.9 0.2 . 1 . . . . . . . . 5040 1 407 . 1 1 57 57 ASN N N 15 119.5 0.2 . 1 . . . . . . . . 5040 1 408 . 1 1 58 58 PRO HA H 1 4.07 0.01 . 1 . . . . . . . . 5040 1 409 . 1 1 58 58 PRO HB2 H 1 1.76 0.01 . 1 . . . . . . . . 5040 1 410 . 1 1 58 58 PRO HB3 H 1 1.65 0.01 . 1 . . . . . . . . 5040 1 411 . 1 1 58 58 PRO C C 13 177.0 0.2 . 1 . . . . . . . . 5040 1 412 . 1 1 58 58 PRO CA C 13 63.5 0.2 . 1 . . . . . . . . 5040 1 413 . 1 1 58 58 PRO CB C 13 30.0 0.2 . 1 . . . . . . . . 5040 1 414 . 1 1 59 59 HIS H H 1 8.4 0.01 . 1 . . . . . . . . 5040 1 415 . 1 1 59 59 HIS HA H 1 4.33 0.01 . 1 . . . . . . . . 5040 1 416 . 1 1 59 59 HIS HB2 H 1 2.85 0.01 . 1 . . . . . . . . 5040 1 417 . 1 1 59 59 HIS HB3 H 1 2.96 0.01 . 1 . . . . . . . . 5040 1 418 . 1 1 59 59 HIS C C 13 175.1 0.2 . 1 . . . . . . . . 5040 1 419 . 1 1 59 59 HIS CA C 13 55.7 0.2 . 1 . . . . . . . . 5040 1 420 . 1 1 59 59 HIS CB C 13 28.9 0.2 . 1 . . . . . . . . 5040 1 421 . 1 1 59 59 HIS N N 15 117.3 0.2 . 1 . . . . . . . . 5040 1 422 . 1 1 60 60 LEU H H 1 7.83 0.01 . 1 . . . . . . . . 5040 1 423 . 1 1 60 60 LEU HA H 1 4.03 0.01 . 1 . . . . . . . . 5040 1 424 . 1 1 60 60 LEU HB2 H 1 1.33 0.01 . 2 . . . . . . . . 5040 1 425 . 1 1 60 60 LEU C C 13 177.2 0.2 . 1 . . . . . . . . 5040 1 426 . 1 1 60 60 LEU CA C 13 55.2 0.2 . 1 . . . . . . . . 5040 1 427 . 1 1 60 60 LEU CB C 13 42.2 0.2 . 1 . . . . . . . . 5040 1 428 . 1 1 60 60 LEU N N 15 121.7 0.2 . 1 . . . . . . . . 5040 1 429 . 1 1 61 61 LYS H H 1 8.31 0.01 . 1 . . . . . . . . 5040 1 430 . 1 1 61 61 LYS HA H 1 4.00 0.01 . 1 . . . . . . . . 5040 1 431 . 1 1 61 61 LYS HB2 H 1 1.56 0.01 . 1 . . . . . . . . 5040 1 432 . 1 1 61 61 LYS HB3 H 1 1.48 0.01 . 1 . . . . . . . . 5040 1 433 . 1 1 61 61 LYS C C 13 176.8 0.2 . 1 . . . . . . . . 5040 1 434 . 1 1 61 61 LYS CA C 13 57.5 0.2 . 1 . . . . . . . . 5040 1 435 . 1 1 61 61 LYS CB C 13 32.9 0.2 . 1 . . . . . . . . 5040 1 436 . 1 1 61 61 LYS N N 15 121.9 0.2 . 1 . . . . . . . . 5040 1 437 . 1 1 62 62 SER H H 1 8.29 0.01 . 1 . . . . . . . . 5040 1 438 . 1 1 62 62 SER HA H 1 4.19 0.01 . 1 . . . . . . . . 5040 1 439 . 1 1 62 62 SER HB2 H 1 3.63 0.01 . 1 . . . . . . . . 5040 1 440 . 1 1 62 62 SER HB3 H 1 3.57 0.01 . 1 . . . . . . . . 5040 1 441 . 1 1 62 62 SER C C 13 175.1 0.2 . 1 . . . . . . . . 5040 1 442 . 1 1 62 62 SER CA C 13 58.3 0.2 . 1 . . . . . . . . 5040 1 443 . 1 1 62 62 SER CB C 13 63.4 0.2 . 1 . . . . . . . . 5040 1 444 . 1 1 62 62 SER N N 15 116.3 0.2 . 1 . . . . . . . . 5040 1 445 . 1 1 63 63 THR H H 1 8.19 0.01 . 1 . . . . . . . . 5040 1 446 . 1 1 63 63 THR HA H 1 4.06 0.01 . 1 . . . . . . . . 5040 1 447 . 1 1 63 63 THR HB H 1 3.92 0.01 . 1 . . . . . . . . 5040 1 448 . 1 1 63 63 THR C C 13 174.8 0.2 . 1 . . . . . . . . 5040 1 449 . 1 1 63 63 THR CA C 13 62.0 0.2 . 1 . . . . . . . . 5040 1 450 . 1 1 63 63 THR CB C 13 69.5 0.2 . 1 . . . . . . . . 5040 1 451 . 1 1 63 63 THR N N 15 116.0 0.2 . 1 . . . . . . . . 5040 1 452 . 1 1 64 64 LEU H H 1 8.13 0.01 . 1 . . . . . . . . 5040 1 453 . 1 1 64 64 LEU HA H 1 4.02 0.01 . 1 . . . . . . . . 5040 1 454 . 1 1 64 64 LEU HB2 H 1 1.31 0.01 . 2 . . . . . . . . 5040 1 455 . 1 1 64 64 LEU C C 13 177.1 0.2 . 1 . . . . . . . . 5040 1 456 . 1 1 64 64 LEU CA C 13 55.3 0.2 . 1 . . . . . . . . 5040 1 457 . 1 1 64 64 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 5040 1 458 . 1 1 64 64 LEU N N 15 123.7 0.2 . 1 . . . . . . . . 5040 1 459 . 1 1 65 65 ALA H H 1 8.17 0.01 . 1 . . . . . . . . 5040 1 460 . 1 1 65 65 ALA HA H 1 4.01 0.01 . 1 . . . . . . . . 5040 1 461 . 1 1 65 65 ALA HB1 H 1 1.08 0.01 . 1 . . . . . . . . 5040 1 462 . 1 1 65 65 ALA HB2 H 1 1.08 0.01 . 1 . . . . . . . . 5040 1 463 . 1 1 65 65 ALA HB3 H 1 1.08 0.01 . 1 . . . . . . . . 5040 1 464 . 1 1 65 65 ALA C C 13 177.5 0.2 . 1 . . . . . . . . 5040 1 465 . 1 1 65 65 ALA CA C 13 52.3 0.2 . 1 . . . . . . . . 5040 1 466 . 1 1 65 65 ALA CB C 13 19.0 0.2 . 1 . . . . . . . . 5040 1 467 . 1 1 65 65 ALA N N 15 124.1 0.2 . 1 . . . . . . . . 5040 1 468 . 1 1 66 66 MET H H 1 8.14 0.01 . 1 . . . . . . . . 5040 1 469 . 1 1 66 66 MET HA H 1 4.19 0.01 . 1 . . . . . . . . 5040 1 470 . 1 1 66 66 MET HB2 H 1 1.75 0.01 . 1 . . . . . . . . 5040 1 471 . 1 1 66 66 MET HB3 H 1 1.70 0.01 . 1 . . . . . . . . 5040 1 472 . 1 1 66 66 MET C C 13 175.9 0.2 . 1 . . . . . . . . 5040 1 473 . 1 1 66 66 MET CA C 13 55.2 0.2 . 1 . . . . . . . . 5040 1 474 . 1 1 66 66 MET CB C 13 33.2 0.2 . 1 . . . . . . . . 5040 1 475 . 1 1 66 66 MET N N 15 118.9 0.2 . 1 . . . . . . . . 5040 1 476 . 1 1 67 67 SER H H 1 8.37 0.01 . 1 . . . . . . . . 5040 1 477 . 1 1 67 67 SER HA H 1 4.47 0.01 . 1 . . . . . . . . 5040 1 478 . 1 1 67 67 SER HB2 H 1 3.61 0.01 . 1 . . . . . . . . 5040 1 479 . 1 1 67 67 SER C C 13 173.0 0.2 . 1 . . . . . . . . 5040 1 480 . 1 1 67 67 SER CA C 13 56.4 0.2 . 1 . . . . . . . . 5040 1 481 . 1 1 67 67 SER CB C 13 63.1 0.2 . 1 . . . . . . . . 5040 1 482 . 1 1 67 67 SER N N 15 118.7 0.2 . 1 . . . . . . . . 5040 1 483 . 1 1 68 68 PRO HA H 1 4.09 0.01 . 1 . . . . . . . . 5040 1 484 . 1 1 68 68 PRO HB2 H 1 2.04 0.01 . 1 . . . . . . . . 5040 1 485 . 1 1 68 68 PRO HB3 H 1 1.64 0.01 . 1 . . . . . . . . 5040 1 486 . 1 1 68 68 PRO C C 13 177.4 0.2 . 1 . . . . . . . . 5040 1 487 . 1 1 68 68 PRO CA C 13 63.9 0.2 . 1 . . . . . . . . 5040 1 488 . 1 1 68 68 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 5040 1 489 . 1 1 69 69 ARG H H 1 8.35 0.01 . 1 . . . . . . . . 5040 1 490 . 1 1 69 69 ARG HA H 1 3.93 0.01 . 1 . . . . . . . . 5040 1 491 . 1 1 69 69 ARG HB2 H 1 1.52 0.01 . 2 . . . . . . . . 5040 1 492 . 1 1 69 69 ARG C C 13 176.8 0.2 . 1 . . . . . . . . 5040 1 493 . 1 1 69 69 ARG CA C 13 56.8 0.2 . 1 . . . . . . . . 5040 1 494 . 1 1 69 69 ARG CB C 13 30.3 0.2 . 1 . . . . . . . . 5040 1 495 . 1 1 69 69 ARG N N 15 119.7 0.2 . 1 . . . . . . . . 5040 1 496 . 1 1 70 70 GLN H H 1 8.22 0.01 . 1 . . . . . . . . 5040 1 497 . 1 1 70 70 GLN HA H 1 3.99 0.01 . 1 . . . . . . . . 5040 1 498 . 1 1 70 70 GLN HB2 H 1 1.77 0.01 . 2 . . . . . . . . 5040 1 499 . 1 1 70 70 GLN C C 13 176.3 0.2 . 1 . . . . . . . . 5040 1 500 . 1 1 70 70 GLN CA C 13 56.0 0.2 . 1 . . . . . . . . 5040 1 501 . 1 1 70 70 GLN CB C 13 29.3 0.2 . 1 . . . . . . . . 5040 1 502 . 1 1 70 70 GLN N N 15 120.7 0.2 . 1 . . . . . . . . 5040 1 503 . 1 1 71 71 ARG H H 1 8.38 0.01 . 1 . . . . . . . . 5040 1 504 . 1 1 71 71 ARG HA H 1 3.98 0.01 . 1 . . . . . . . . 5040 1 505 . 1 1 71 71 ARG HB2 H 1 1.76 0.01 . 2 . . . . . . . . 5040 1 506 . 1 1 71 71 ARG C C 13 176.6 0.2 . 1 . . . . . . . . 5040 1 507 . 1 1 71 71 ARG CA C 13 56.4 0.2 . 1 . . . . . . . . 5040 1 508 . 1 1 71 71 ARG CB C 13 30.6 0.2 . 1 . . . . . . . . 5040 1 509 . 1 1 71 71 ARG N N 15 122.2 0.2 . 1 . . . . . . . . 5040 1 510 . 1 1 72 72 LYS H H 1 8.37 0.01 . 1 . . . . . . . . 5040 1 511 . 1 1 72 72 LYS HA H 1 4.05 0.01 . 1 . . . . . . . . 5040 1 512 . 1 1 72 72 LYS HB2 H 1 2.01 0.01 . 1 . . . . . . . . 5040 1 513 . 1 1 72 72 LYS HB3 H 1 1.64 0.01 . 1 . . . . . . . . 5040 1 514 . 1 1 72 72 LYS C C 13 176.6 0.2 . 1 . . . . . . . . 5040 1 515 . 1 1 72 72 LYS CA C 13 55.9 0.2 . 1 . . . . . . . . 5040 1 516 . 1 1 72 72 LYS CB C 13 29.3 0.2 . 1 . . . . . . . . 5040 1 517 . 1 1 72 72 LYS N N 15 122.2 0.2 . 1 . . . . . . . . 5040 1 518 . 1 1 73 73 LYS H H 1 8.51 0.01 . 1 . . . . . . . . 5040 1 519 . 1 1 73 73 LYS HA H 1 3.98 0.01 . 1 . . . . . . . . 5040 1 520 . 1 1 73 73 LYS HB2 H 1 2.01 0.01 . 1 . . . . . . . . 5040 1 521 . 1 1 73 73 LYS HB3 H 1 1.52 0.01 . 1 . . . . . . . . 5040 1 522 . 1 1 73 73 LYS C C 13 176.4 0.2 . 1 . . . . . . . . 5040 1 523 . 1 1 73 73 LYS CA C 13 56.4 0.2 . 1 . . . . . . . . 5040 1 524 . 1 1 73 73 LYS CB C 13 30.2 0.2 . 1 . . . . . . . . 5040 1 525 . 1 1 73 73 LYS N N 15 122.2 0.2 . 1 . . . . . . . . 5040 1 526 . 1 1 74 74 MET H H 1 8.41 0.01 . 1 . . . . . . . . 5040 1 527 . 1 1 74 74 MET HA H 1 4.03 0.01 . 1 . . . . . . . . 5040 1 528 . 1 1 74 74 MET HB2 H 1 1.79 0.01 . 1 . . . . . . . . 5040 1 529 . 1 1 74 74 MET HB3 H 1 1.69 0.01 . 1 . . . . . . . . 5040 1 530 . 1 1 74 74 MET C C 13 176.2 0.2 . 1 . . . . . . . . 5040 1 531 . 1 1 74 74 MET CA C 13 55.2 0.2 . 1 . . . . . . . . 5040 1 532 . 1 1 74 74 MET CB C 13 32.8 0.2 . 1 . . . . . . . . 5040 1 533 . 1 1 74 74 MET N N 15 121.8 0.2 . 1 . . . . . . . . 5040 1 534 . 1 1 75 75 THR H H 1 8.18 0.01 . 1 . . . . . . . . 5040 1 535 . 1 1 75 75 THR HA H 1 4.17 0.01 . 1 . . . . . . . . 5040 1 536 . 1 1 75 75 THR HB H 1 3.87 0.01 . 1 . . . . . . . . 5040 1 537 . 1 1 75 75 THR C C 13 174.0 0.2 . 1 . . . . . . . . 5040 1 538 . 1 1 75 75 THR CA C 13 61.7 0.2 . 1 . . . . . . . . 5040 1 539 . 1 1 75 75 THR CB C 13 69.6 0.2 . 1 . . . . . . . . 5040 1 540 . 1 1 75 75 THR N N 15 116.3 0.2 . 1 . . . . . . . . 5040 1 541 . 1 1 76 76 ARG H H 1 8.37 0.01 . 1 . . . . . . . . 5040 1 542 . 1 1 76 76 ARG HA H 1 4.10 0.01 . 1 . . . . . . . . 5040 1 543 . 1 1 76 76 ARG HB2 H 1 1.52 0.01 . 1 . . . . . . . . 5040 1 544 . 1 1 76 76 ARG HB3 H 1 1.45 0.01 . 1 . . . . . . . . 5040 1 545 . 1 1 76 76 ARG C C 13 175.8 0.2 . 1 . . . . . . . . 5040 1 546 . 1 1 76 76 ARG CA C 13 55.9 0.2 . 1 . . . . . . . . 5040 1 547 . 1 1 76 76 ARG CB C 13 30.7 0.2 . 1 . . . . . . . . 5040 1 548 . 1 1 76 76 ARG N N 15 123.8 0.2 . 1 . . . . . . . . 5040 1 549 . 1 1 77 77 ILE H H 1 8.32 0.01 . 1 . . . . . . . . 5040 1 550 . 1 1 77 77 ILE HA H 1 3.96 0.01 . 1 . . . . . . . . 5040 1 551 . 1 1 77 77 ILE HB H 1 1.54 0.01 . 1 . . . . . . . . 5040 1 552 . 1 1 77 77 ILE C C 13 176.1 0.2 . 1 . . . . . . . . 5040 1 553 . 1 1 77 77 ILE CA C 13 60.6 0.2 . 1 . . . . . . . . 5040 1 554 . 1 1 77 77 ILE CB C 13 32.6 0.2 . 1 . . . . . . . . 5040 1 555 . 1 1 77 77 ILE N N 15 122.9 0.2 . 1 . . . . . . . . 5040 1 556 . 1 1 78 78 THR H H 1 8.26 0.01 . 1 . . . . . . . . 5040 1 557 . 1 1 78 78 THR HA H 1 4.33 0.01 . 1 . . . . . . . . 5040 1 558 . 1 1 78 78 THR HB H 1 3.91 0.01 . 1 . . . . . . . . 5040 1 559 . 1 1 78 78 THR C C 13 172.8 0.2 . 1 . . . . . . . . 5040 1 560 . 1 1 78 78 THR CA C 13 59.7 0.2 . 1 . . . . . . . . 5040 1 561 . 1 1 78 78 THR CB C 13 69.3 0.2 . 1 . . . . . . . . 5040 1 562 . 1 1 78 78 THR N N 15 121.1 0.2 . 1 . . . . . . . . 5040 1 563 . 1 1 79 79 PRO HA H 1 4.24 0.01 . 1 . . . . . . . . 5040 1 564 . 1 1 79 79 PRO HB2 H 1 2.01 0.01 . 1 . . . . . . . . 5040 1 565 . 1 1 79 79 PRO HB3 H 1 1.63 0.01 . 1 . . . . . . . . 5040 1 566 . 1 1 79 79 PRO C C 13 177.2 0.2 . 1 . . . . . . . . 5040 1 567 . 1 1 79 79 PRO CA C 13 63.2 0.2 . 1 . . . . . . . . 5040 1 568 . 1 1 79 79 PRO CB C 13 32.1 0.2 . 1 . . . . . . . . 5040 1 569 . 1 1 80 80 THR H H 1 8.36 0.01 . 1 . . . . . . . . 5040 1 570 . 1 1 80 80 THR HA H 1 4.03 0.01 . 1 . . . . . . . . 5040 1 571 . 1 1 80 80 THR HB H 1 4.04 0.01 . 1 . . . . . . . . 5040 1 572 . 1 1 80 80 THR C C 13 175.0 0.2 . 1 . . . . . . . . 5040 1 573 . 1 1 80 80 THR CA C 13 61.6 0.2 . 1 . . . . . . . . 5040 1 574 . 1 1 80 80 THR CB C 13 70.0 0.2 . 1 . . . . . . . . 5040 1 575 . 1 1 80 80 THR N N 15 113.1 0.2 . 1 . . . . . . . . 5040 1 576 . 1 1 81 81 MET H H 1 8.51 0.01 . 1 . . . . . . . . 5040 1 577 . 1 1 81 81 MET HA H 1 4.02 0.01 . 1 . . . . . . . . 5040 1 578 . 1 1 81 81 MET HB2 H 1 1.10 0.01 . 2 . . . . . . . . 5040 1 579 . 1 1 81 81 MET C C 13 177.6 0.2 . 1 . . . . . . . . 5040 1 580 . 1 1 81 81 MET CA C 13 57.3 0.2 . 1 . . . . . . . . 5040 1 581 . 1 1 81 81 MET CB C 13 32.1 0.2 . 1 . . . . . . . . 5040 1 582 . 1 1 81 81 MET N N 15 121.0 0.2 . 1 . . . . . . . . 5040 1 583 . 1 1 82 82 LYS H H 1 8.29 0.01 . 1 . . . . . . . . 5040 1 584 . 1 1 82 82 LYS HA H 1 3.85 0.01 . 1 . . . . . . . . 5040 1 585 . 1 1 82 82 LYS HB2 H 1 1.51 0.01 . 1 . . . . . . . . 5040 1 586 . 1 1 82 82 LYS HB3 H 1 1.52 0.01 . 1 . . . . . . . . 5040 1 587 . 1 1 82 82 LYS C C 13 177.9 0.2 . 1 . . . . . . . . 5040 1 588 . 1 1 82 82 LYS CA C 13 58.1 0.2 . 1 . . . . . . . . 5040 1 589 . 1 1 82 82 LYS CB C 13 32.4 0.2 . 1 . . . . . . . . 5040 1 590 . 1 1 82 82 LYS N N 15 120.5 0.2 . 1 . . . . . . . . 5040 1 591 . 1 1 83 83 GLU H H 1 8.08 0.01 . 1 . . . . . . . . 5040 1 592 . 1 1 83 83 GLU HA H 1 3.79 0.01 . 1 . . . . . . . . 5040 1 593 . 1 1 83 83 GLU HB2 H 1 1.84 0.01 . 1 . . . . . . . . 5040 1 594 . 1 1 83 83 GLU HB3 H 1 1.75 0.01 . 1 . . . . . . . . 5040 1 595 . 1 1 83 83 GLU C C 13 178.2 0.2 . 1 . . . . . . . . 5040 1 596 . 1 1 83 83 GLU CA C 13 58.2 0.2 . 1 . . . . . . . . 5040 1 597 . 1 1 83 83 GLU CB C 13 29.6 0.2 . 1 . . . . . . . . 5040 1 598 . 1 1 83 83 GLU N N 15 120.1 0.2 . 1 . . . . . . . . 5040 1 599 . 1 1 84 84 LEU H H 1 8.22 0.01 . 1 . . . . . . . . 5040 1 600 . 1 1 84 84 LEU HA H 1 3.92 0.01 . 1 . . . . . . . . 5040 1 601 . 1 1 84 84 LEU HB2 H 1 1.49 0.01 . 1 . . . . . . . . 5040 1 602 . 1 1 84 84 LEU HB3 H 1 1.32 0.01 . 1 . . . . . . . . 5040 1 603 . 1 1 84 84 LEU C C 13 178.5 0.2 . 1 . . . . . . . . 5040 1 604 . 1 1 84 84 LEU CA C 13 56.6 0.2 . 1 . . . . . . . . 5040 1 605 . 1 1 84 84 LEU CB C 13 41.8 0.2 . 1 . . . . . . . . 5040 1 606 . 1 1 84 84 LEU N N 15 121.1 0.2 . 1 . . . . . . . . 5040 1 607 . 1 1 85 85 GLN H H 1 8.17 0.01 . 1 . . . . . . . . 5040 1 608 . 1 1 85 85 GLN HA H 1 3.85 0.01 . 1 . . . . . . . . 5040 1 609 . 1 1 85 85 GLN HB2 H 1 1.82 0.01 . 2 . . . . . . . . 5040 1 610 . 1 1 85 85 GLN C C 13 177.2 0.2 . 1 . . . . . . . . 5040 1 611 . 1 1 85 85 GLN CA C 13 57.1 0.2 . 1 . . . . . . . . 5040 1 612 . 1 1 85 85 GLN CB C 13 28.4 0.2 . 1 . . . . . . . . 5040 1 613 . 1 1 85 85 GLN N N 15 119.1 0.2 . 1 . . . . . . . . 5040 1 614 . 1 1 86 86 MET H H 1 8.05 0.01 . 1 . . . . . . . . 5040 1 615 . 1 1 86 86 MET HA H 1 4.07 0.01 . 1 . . . . . . . . 5040 1 616 . 1 1 86 86 MET HB2 H 1 1.83 0.01 . 2 . . . . . . . . 5040 1 617 . 1 1 86 86 MET C C 13 177.1 0.2 . 1 . . . . . . . . 5040 1 618 . 1 1 86 86 MET CA C 13 56.6 0.2 . 1 . . . . . . . . 5040 1 619 . 1 1 86 86 MET CB C 13 32.4 0.2 . 1 . . . . . . . . 5040 1 620 . 1 1 86 86 MET N N 15 118.9 0.2 . 1 . . . . . . . . 5040 1 621 . 1 1 87 87 MET H H 1 8.08 0.01 . 1 . . . . . . . . 5040 1 622 . 1 1 87 87 MET HA H 1 4.07 0.01 . 1 . . . . . . . . 5040 1 623 . 1 1 87 87 MET HB2 H 1 1.84 0.01 . 2 . . . . . . . . 5040 1 624 . 1 1 87 87 MET C C 13 176.3 0.2 . 1 . . . . . . . . 5040 1 625 . 1 1 87 87 MET CA C 13 56.8 0.2 . 1 . . . . . . . . 5040 1 626 . 1 1 87 87 MET CB C 13 32.5 0.2 . 1 . . . . . . . . 5040 1 627 . 1 1 87 87 MET N N 15 119.9 0.2 . 1 . . . . . . . . 5040 1 628 . 1 1 88 88 VAL H H 1 7.98 0.01 . 1 . . . . . . . . 5040 1 629 . 1 1 88 88 VAL HA H 1 3.69 0.01 . 1 . . . . . . . . 5040 1 630 . 1 1 88 88 VAL HB H 1 1.80 0.01 . 1 . . . . . . . . 5040 1 631 . 1 1 88 88 VAL C C 13 176.8 0.2 . 1 . . . . . . . . 5040 1 632 . 1 1 88 88 VAL CA C 13 63.4 0.2 . 1 . . . . . . . . 5040 1 633 . 1 1 88 88 VAL CB C 13 32.5 0.2 . 1 . . . . . . . . 5040 1 634 . 1 1 88 88 VAL N N 15 119.9 0.2 . 1 . . . . . . . . 5040 1 635 . 1 1 89 89 GLU H H 1 8.28 0.01 . 1 . . . . . . . . 5040 1 636 . 1 1 89 89 GLU HA H 1 3.85 0.01 . 1 . . . . . . . . 5040 1 637 . 1 1 89 89 GLU HB2 H 1 1.63 0.01 . 2 . . . . . . . . 5040 1 638 . 1 1 89 89 GLU C C 13 176.6 0.2 . 1 . . . . . . . . 5040 1 639 . 1 1 89 89 GLU CA C 13 57.1 0.2 . 1 . . . . . . . . 5040 1 640 . 1 1 89 89 GLU CB C 13 29.8 0.2 . 1 . . . . . . . . 5040 1 641 . 1 1 89 89 GLU N N 15 122.4 0.2 . 1 . . . . . . . . 5040 1 642 . 1 1 90 90 HIS H H 1 8.29 0.01 . 1 . . . . . . . . 5040 1 643 . 1 1 90 90 HIS HA H 1 4.33 0.01 . 1 . . . . . . . . 5040 1 644 . 1 1 90 90 HIS HB2 H 1 2.87 0.01 . 1 . . . . . . . . 5040 1 645 . 1 1 90 90 HIS HB3 H 1 2.85 0.01 . 1 . . . . . . . . 5040 1 646 . 1 1 90 90 HIS C C 13 174.6 0.2 . 1 . . . . . . . . 5040 1 647 . 1 1 90 90 HIS CA C 13 55.6 0.2 . 1 . . . . . . . . 5040 1 648 . 1 1 90 90 HIS CB C 13 29.4 0.2 . 1 . . . . . . . . 5040 1 649 . 1 1 90 90 HIS N N 15 118.5 0.2 . 1 . . . . . . . . 5040 1 650 . 1 1 92 92 LEU H H 1 8.41 0.01 . 1 . . . . . . . . 5040 1 651 . 1 1 92 92 LEU HA H 1 4.03 0.01 . 1 . . . . . . . . 5040 1 652 . 1 1 92 92 LEU HB2 H 1 1.33 0.01 . 1 . . . . . . . . 5040 1 653 . 1 1 92 92 LEU HB3 H 1 1.25 0.01 . 1 . . . . . . . . 5040 1 654 . 1 1 92 92 LEU C C 13 177.9 0.2 . 1 . . . . . . . . 5040 1 655 . 1 1 92 92 LEU CA C 13 55.3 0.2 . 1 . . . . . . . . 5040 1 656 . 1 1 92 92 LEU CB C 13 42.2 0.2 . 1 . . . . . . . . 5040 1 657 . 1 1 92 92 LEU N N 15 122.4 0.2 . 1 . . . . . . . . 5040 1 658 . 1 1 93 93 GLY H H 1 8.5 0.01 . 1 . . . . . . . . 5040 1 659 . 1 1 93 93 GLY HA2 H 1 3.66 0.01 . 2 . . . . . . . . 5040 1 660 . 1 1 93 93 GLY C C 13 174.2 0.2 . 1 . . . . . . . . 5040 1 661 . 1 1 93 93 GLY CA C 13 45.3 0.2 . 1 . . . . . . . . 5040 1 662 . 1 1 93 93 GLY N N 15 109.5 0.2 . 1 . . . . . . . . 5040 1 663 . 1 1 94 94 GLN H H 1 8.22 0.01 . 1 . . . . . . . . 5040 1 664 . 1 1 94 94 GLN HA H 1 4.03 0.01 . 1 . . . . . . . . 5040 1 665 . 1 1 94 94 GLN HB2 H 1 1.80 0.01 . 1 . . . . . . . . 5040 1 666 . 1 1 94 94 GLN HB3 H 1 1.69 0.01 . 1 . . . . . . . . 5040 1 667 . 1 1 94 94 GLN C C 13 176.1 0.2 . 1 . . . . . . . . 5040 1 668 . 1 1 94 94 GLN CA C 13 55.8 0.2 . 1 . . . . . . . . 5040 1 669 . 1 1 94 94 GLN CB C 13 29.3 0.2 . 1 . . . . . . . . 5040 1 670 . 1 1 94 94 GLN N N 15 119.6 0.2 . 1 . . . . . . . . 5040 1 671 . 1 1 95 95 GLN H H 1 8.53 0.01 . 1 . . . . . . . . 5040 1 672 . 1 1 95 95 GLN HA H 1 4.02 0.01 . 1 . . . . . . . . 5040 1 673 . 1 1 95 95 GLN HB2 H 1 1.80 0.01 . 1 . . . . . . . . 5040 1 674 . 1 1 95 95 GLN HB3 H 1 1.69 0.01 . 1 . . . . . . . . 5040 1 675 . 1 1 95 95 GLN C C 13 176.0 0.2 . 1 . . . . . . . . 5040 1 676 . 1 1 95 95 GLN CA C 13 55.9 0.2 . 1 . . . . . . . . 5040 1 677 . 1 1 95 95 GLN CB C 13 29.2 0.2 . 1 . . . . . . . . 5040 1 678 . 1 1 95 95 GLN N N 15 121.6 0.2 . 1 . . . . . . . . 5040 1 679 . 1 1 96 96 GLN H H 1 8.53 0.01 . 1 . . . . . . . . 5040 1 680 . 1 1 96 96 GLN HA H 1 4.03 0.01 . 1 . . . . . . . . 5040 1 681 . 1 1 96 96 GLN HB2 H 1 1.75 0.01 . 2 . . . . . . . . 5040 1 682 . 1 1 96 96 GLN C C 13 175.8 0.2 . 1 . . . . . . . . 5040 1 683 . 1 1 96 96 GLN CA C 13 55.6 0.2 . 1 . . . . . . . . 5040 1 684 . 1 1 96 96 GLN CB C 13 29.3 0.2 . 1 . . . . . . . . 5040 1 685 . 1 1 96 96 GLN N N 15 121.8 0.2 . 1 . . . . . . . . 5040 1 686 . 1 1 97 97 GLN H H 1 8.55 0.01 . 1 . . . . . . . . 5040 1 687 . 1 1 97 97 GLN HA H 1 4.05 0.01 . 1 . . . . . . . . 5040 1 688 . 1 1 97 97 GLN HB2 H 1 1.77 0.01 . 2 . . . . . . . . 5040 1 689 . 1 1 97 97 GLN C C 13 176.3 0.2 . 1 . . . . . . . . 5040 1 690 . 1 1 97 97 GLN CA C 13 55.9 0.2 . 1 . . . . . . . . 5040 1 691 . 1 1 97 97 GLN CB C 13 29.3 0.2 . 1 . . . . . . . . 5040 1 692 . 1 1 97 97 GLN N N 15 121.8 0.2 . 1 . . . . . . . . 5040 1 693 . 1 1 98 98 GLY H H 1 8.52 0.01 . 1 . . . . . . . . 5040 1 694 . 1 1 98 98 GLY HA2 H 1 3.69 0.01 . 2 . . . . . . . . 5040 1 695 . 1 1 98 98 GLY C C 13 173.8 0.2 . 1 . . . . . . . . 5040 1 696 . 1 1 98 98 GLY CA C 13 45.1 0.2 . 1 . . . . . . . . 5040 1 697 . 1 1 98 98 GLY N N 15 110.6 0.2 . 1 . . . . . . . . 5040 1 698 . 1 1 99 99 GLU H H 1 8.28 0.01 . 1 . . . . . . . . 5040 1 699 . 1 1 99 99 GLU HA H 1 4.04 0.01 . 1 . . . . . . . . 5040 1 700 . 1 1 99 99 GLU HB2 H 1 1.76 0.01 . 1 . . . . . . . . 5040 1 701 . 1 1 99 99 GLU HB3 H 1 1.6 0.01 . 1 . . . . . . . . 5040 1 702 . 1 1 99 99 GLU C C 13 176.3 0.2 . 1 . . . . . . . . 5040 1 703 . 1 1 99 99 GLU CA C 13 56.0 0.2 . 1 . . . . . . . . 5040 1 704 . 1 1 99 99 GLU CB C 13 30.4 0.2 . 1 . . . . . . . . 5040 1 705 . 1 1 99 99 GLU N N 15 120.1 0.2 . 1 . . . . . . . . 5040 1 706 . 1 1 100 100 GLU H H 1 8.54 0.01 . 1 . . . . . . . . 5040 1 707 . 1 1 100 100 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 5040 1 708 . 1 1 100 100 GLU HB2 H 1 1.67 0.01 . 1 . . . . . . . . 5040 1 709 . 1 1 100 100 GLU HB3 H 1 1.6 0.01 . 1 . . . . . . . . 5040 1 710 . 1 1 100 100 GLU C C 13 174.6 0.2 . 1 . . . . . . . . 5040 1 711 . 1 1 100 100 GLU CA C 13 54.3 0.2 . 1 . . . . . . . . 5040 1 712 . 1 1 100 100 GLU CB C 13 29.4 0.2 . 1 . . . . . . . . 5040 1 713 . 1 1 100 100 GLU N N 15 123.1 0.2 . 1 . . . . . . . . 5040 1 714 . 1 1 101 101 PRO HA H 1 4.12 0.01 . 1 . . . . . . . . 5040 1 715 . 1 1 101 101 PRO HB2 H 1 1.99 0.01 . 1 . . . . . . . . 5040 1 716 . 1 1 101 101 PRO HB3 H 1 1.63 0.01 . 1 . . . . . . . . 5040 1 717 . 1 1 101 101 PRO C C 13 177.0 0.2 . 1 . . . . . . . . 5040 1 718 . 1 1 101 101 PRO CA C 13 63.1 0.2 . 1 . . . . . . . . 5040 1 719 . 1 1 101 101 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 5040 1 720 . 1 1 102 102 GLU H H 1 8.61 0.01 . 1 . . . . . . . . 5040 1 721 . 1 1 102 102 GLU HA H 1 3.95 0.01 . 1 . . . . . . . . 5040 1 722 . 1 1 102 102 GLU HB2 H 1 1.75 0.01 . 1 . . . . . . . . 5040 1 723 . 1 1 102 102 GLU HB3 H 1 1.67 0.01 . 1 . . . . . . . . 5040 1 724 . 1 1 102 102 GLU C C 13 177.1 0.2 . 1 . . . . . . . . 5040 1 725 . 1 1 102 102 GLU CA C 13 56.8 0.2 . 1 . . . . . . . . 5040 1 726 . 1 1 102 102 GLU CB C 13 30.0 0.2 . 1 . . . . . . . . 5040 1 727 . 1 1 102 102 GLU N N 15 121.3 0.2 . 1 . . . . . . . . 5040 1 728 . 1 1 103 103 GLY H H 1 8.48 0.01 . 1 . . . . . . . . 5040 1 729 . 1 1 103 103 GLY HA2 H 1 3.65 0.01 . 2 . . . . . . . . 5040 1 730 . 1 1 103 103 GLY C C 13 173.8 0.2 . 1 . . . . . . . . 5040 1 731 . 1 1 103 103 GLY CA C 13 45.2 0.2 . 1 . . . . . . . . 5040 1 732 . 1 1 103 103 GLY N N 15 110.3 0.2 . 1 . . . . . . . . 5040 1 733 . 1 1 104 104 ALA H H 1 8.17 0.01 . 1 . . . . . . . . 5040 1 734 . 1 1 104 104 ALA HA H 1 4.02 0.01 . 1 . . . . . . . . 5040 1 735 . 1 1 104 104 ALA HB1 H 1 1.09 0.01 . 1 . . . . . . . . 5040 1 736 . 1 1 104 104 ALA HB2 H 1 1.09 0.01 . 1 . . . . . . . . 5040 1 737 . 1 1 104 104 ALA HB3 H 1 1.09 0.01 . 1 . . . . . . . . 5040 1 738 . 1 1 104 104 ALA C C 13 177.7 0.2 . 1 . . . . . . . . 5040 1 739 . 1 1 104 104 ALA CA C 13 52.2 0.2 . 1 . . . . . . . . 5040 1 740 . 1 1 104 104 ALA CB C 13 19.2 0.2 . 1 . . . . . . . . 5040 1 741 . 1 1 104 104 ALA N N 15 123.9 0.2 . 1 . . . . . . . . 5040 1 742 . 1 1 105 105 ALA H H 1 8.37 0.01 . 1 . . . . . . . . 5040 1 743 . 1 1 105 105 ALA HA H 1 4.00 0.01 . 1 . . . . . . . . 5040 1 744 . 1 1 105 105 ALA HB1 H 1 1.10 0.01 . 1 . . . . . . . . 5040 1 745 . 1 1 105 105 ALA HB2 H 1 1.10 0.01 . 1 . . . . . . . . 5040 1 746 . 1 1 105 105 ALA HB3 H 1 1.10 0.01 . 1 . . . . . . . . 5040 1 747 . 1 1 105 105 ALA C C 13 178.0 0.2 . 1 . . . . . . . . 5040 1 748 . 1 1 105 105 ALA CA C 13 52.5 0.2 . 1 . . . . . . . . 5040 1 749 . 1 1 105 105 ALA CB C 13 19.1 0.2 . 1 . . . . . . . . 5040 1 750 . 1 1 105 105 ALA N N 15 123.4 0.2 . 1 . . . . . . . . 5040 1 751 . 1 1 106 106 GLU H H 1 8.43 0.01 . 1 . . . . . . . . 5040 1 752 . 1 1 106 106 GLU HA H 1 3.99 0.01 . 1 . . . . . . . . 5040 1 753 . 1 1 106 106 GLU HB2 H 1 1.78 0.01 . 1 . . . . . . . . 5040 1 754 . 1 1 106 106 GLU HB3 H 1 1.67 0.01 . 1 . . . . . . . . 5040 1 755 . 1 1 106 106 GLU C C 13 176.7 0.2 . 1 . . . . . . . . 5040 1 756 . 1 1 106 106 GLU CA C 13 56.6 0.2 . 1 . . . . . . . . 5040 1 757 . 1 1 106 106 GLU CB C 13 30.1 0.2 . 1 . . . . . . . . 5040 1 758 . 1 1 106 106 GLU N N 15 119.9 0.2 . 1 . . . . . . . . 5040 1 759 . 1 1 107 107 SER H H 1 8.4 0.01 . 1 . . . . . . . . 5040 1 760 . 1 1 107 107 SER HA H 1 4.24 0.01 . 1 . . . . . . . . 5040 1 761 . 1 1 107 107 SER HB2 H 1 3.60 0.01 . 2 . . . . . . . . 5040 1 762 . 1 1 107 107 SER C C 13 175.0 0.2 . 1 . . . . . . . . 5040 1 763 . 1 1 107 107 SER CA C 13 58.2 0.2 . 1 . . . . . . . . 5040 1 764 . 1 1 107 107 SER CB C 13 63.6 0.2 . 1 . . . . . . . . 5040 1 765 . 1 1 107 107 SER N N 15 116.7 0.2 . 1 . . . . . . . . 5040 1 766 . 1 1 108 108 THR H H 1 8.27 0.01 . 1 . . . . . . . . 5040 1 767 . 1 1 108 108 THR HA H 1 4.09 0.01 . 1 . . . . . . . . 5040 1 768 . 1 1 108 108 THR HB H 1 4.00 0.01 . 1 . . . . . . . . 5040 1 769 . 1 1 108 108 THR C C 13 175.3 0.2 . 1 . . . . . . . . 5040 1 770 . 1 1 108 108 THR CA C 13 62.0 0.2 . 1 . . . . . . . . 5040 1 771 . 1 1 108 108 THR CB C 13 69.6 0.2 . 1 . . . . . . . . 5040 1 772 . 1 1 108 108 THR N N 15 115.5 0.2 . 1 . . . . . . . . 5040 1 773 . 1 1 109 109 GLY H H 1 8.45 0.01 . 1 . . . . . . . . 5040 1 774 . 1 1 109 109 GLY HA2 H 1 3.75 0.01 . 2 . . . . . . . . 5040 1 775 . 1 1 109 109 GLY C C 13 174.4 0.2 . 1 . . . . . . . . 5040 1 776 . 1 1 109 109 GLY CA C 13 45.4 0.2 . 1 . . . . . . . . 5040 1 777 . 1 1 109 109 GLY N N 15 110.9 0.2 . 1 . . . . . . . . 5040 1 778 . 1 1 110 110 THR H H 1 8.13 0.01 . 1 . . . . . . . . 5040 1 779 . 1 1 110 110 THR HA H 1 4.07 0.01 . 1 . . . . . . . . 5040 1 780 . 1 1 110 110 THR HB H 1 3.95 0.01 . 1 . . . . . . . . 5040 1 781 . 1 1 110 110 THR C C 13 174.4 0.2 . 1 . . . . . . . . 5040 1 782 . 1 1 110 110 THR CA C 13 61.8 0.2 . 1 . . . . . . . . 5040 1 783 . 1 1 110 110 THR CB C 13 69.6 0.2 . 1 . . . . . . . . 5040 1 784 . 1 1 110 110 THR N N 15 113.6 0.2 . 1 . . . . . . . . 5040 1 785 . 1 1 111 111 GLN H H 1 8.54 0.01 . 1 . . . . . . . . 5040 1 786 . 1 1 111 111 GLN HA H 1 4.05 0.01 . 1 . . . . . . . . 5040 1 787 . 1 1 111 111 GLN HB2 H 1 1.83 0.01 . 1 . . . . . . . . 5040 1 788 . 1 1 111 111 GLN HB3 H 1 1.70 0.01 . 1 . . . . . . . . 5040 1 789 . 1 1 111 111 GLN C C 13 176.0 0.2 . 1 . . . . . . . . 5040 1 790 . 1 1 111 111 GLN CA C 13 55.9 0.2 . 1 . . . . . . . . 5040 1 791 . 1 1 111 111 GLN CB C 13 29.2 0.2 . 1 . . . . . . . . 5040 1 792 . 1 1 111 111 GLN N N 15 122.6 0.2 . 1 . . . . . . . . 5040 1 793 . 1 1 112 112 GLU H H 1 8.51 0.01 . 1 . . . . . . . . 5040 1 794 . 1 1 112 112 GLU HA H 1 4.00 0.01 . 1 . . . . . . . . 5040 1 795 . 1 1 112 112 GLU HB2 H 1 1.75 0.01 . 1 . . . . . . . . 5040 1 796 . 1 1 112 112 GLU HB3 H 1 1.65 0.01 . 1 . . . . . . . . 5040 1 797 . 1 1 112 112 GLU C C 13 176.4 0.2 . 1 . . . . . . . . 5040 1 798 . 1 1 112 112 GLU CA C 13 56.6 0.2 . 1 . . . . . . . . 5040 1 799 . 1 1 112 112 GLU CB C 13 30.1 0.2 . 1 . . . . . . . . 5040 1 800 . 1 1 112 112 GLU N N 15 122.2 0.2 . 1 . . . . . . . . 5040 1 801 . 1 1 113 113 SER H H 1 8.39 0.01 . 1 . . . . . . . . 5040 1 802 . 1 1 113 113 SER HA H 1 4.15 0.01 . 1 . . . . . . . . 5040 1 803 . 1 1 113 113 SER HB2 H 1 3.55 0.01 . 2 . . . . . . . . 5040 1 804 . 1 1 113 113 SER C C 13 174.0 0.2 . 1 . . . . . . . . 5040 1 805 . 1 1 113 113 SER CA C 13 58.1 0.2 . 1 . . . . . . . . 5040 1 806 . 1 1 113 113 SER CB C 13 63.5 0.2 . 1 . . . . . . . . 5040 1 807 . 1 1 113 113 SER N N 15 117.5 0.2 . 1 . . . . . . . . 5040 1 808 . 1 1 114 114 ARG H H 1 8.34 0.01 . 1 . . . . . . . . 5040 1 809 . 1 1 114 114 ARG HA H 1 4.37 0.01 . 1 . . . . . . . . 5040 1 810 . 1 1 114 114 ARG HB2 H 1 1.52 0.01 . 1 . . . . . . . . 5040 1 811 . 1 1 114 114 ARG HB3 H 1 1.42 0.01 . 1 . . . . . . . . 5040 1 812 . 1 1 114 114 ARG C C 13 173.7 0.2 . 1 . . . . . . . . 5040 1 813 . 1 1 114 114 ARG CA C 13 53.8 0.2 . 1 . . . . . . . . 5040 1 814 . 1 1 114 114 ARG CB C 13 30.2 0.2 . 1 . . . . . . . . 5040 1 815 . 1 1 114 114 ARG N N 15 124.1 0.2 . 1 . . . . . . . . 5040 1 816 . 1 1 116 116 PRO HA H 1 4.13 0.01 . 1 . . . . . . . . 5040 1 817 . 1 1 116 116 PRO HB2 H 1 2.00 0.01 . 1 . . . . . . . . 5040 1 818 . 1 1 116 116 PRO HB3 H 1 1.64 0.01 . 1 . . . . . . . . 5040 1 819 . 1 1 116 116 PRO C C 13 177.5 0.2 . 1 . . . . . . . . 5040 1 820 . 1 1 116 116 PRO CA C 13 63.1 0.2 . 1 . . . . . . . . 5040 1 821 . 1 1 116 116 PRO CB C 13 31.9 0.2 . 1 . . . . . . . . 5040 1 822 . 1 1 117 117 GLY H H 1 8.42 0.01 . 1 . . . . . . . . 5040 1 823 . 1 1 117 117 GLY HA2 H 1 3.62 0.01 . 2 . . . . . . . . 5040 1 824 . 1 1 117 117 GLY C C 13 173.7 0.2 . 1 . . . . . . . . 5040 1 825 . 1 1 117 117 GLY CA C 13 45.1 0.2 . 1 . . . . . . . . 5040 1 826 . 1 1 117 117 GLY N N 15 108.6 0.2 . 1 . . . . . . . . 5040 1 827 . 1 1 118 118 ILE H H 1 7.97 0.01 . 1 . . . . . . . . 5040 1 828 . 1 1 118 118 ILE HA H 1 4.20 0.01 . 1 . . . . . . . . 5040 1 829 . 1 1 118 118 ILE HB H 1 1.58 0.01 . 1 . . . . . . . . 5040 1 830 . 1 1 118 118 ILE C C 13 174.6 0.2 . 1 . . . . . . . . 5040 1 831 . 1 1 118 118 ILE CA C 13 58.4 0.2 . 1 . . . . . . . . 5040 1 832 . 1 1 118 118 ILE CB C 13 38.3 0.2 . 1 . . . . . . . . 5040 1 833 . 1 1 118 118 ILE N N 15 121.5 0.2 . 1 . . . . . . . . 5040 1 834 . 1 1 119 119 PRO HA H 1 4.15 0.01 . 1 . . . . . . . . 5040 1 835 . 1 1 119 119 PRO HB2 H 1 2.00 0.01 . 1 . . . . . . . . 5040 1 836 . 1 1 119 119 PRO HB3 H 1 1.63 0.01 . 1 . . . . . . . . 5040 1 837 . 1 1 119 119 PRO C C 13 176.8 0.2 . 1 . . . . . . . . 5040 1 838 . 1 1 119 119 PRO CA C 13 63.3 0.2 . 1 . . . . . . . . 5040 1 839 . 1 1 119 119 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 5040 1 840 . 1 1 120 120 ASP H H 1 8.51 0.01 . 1 . . . . . . . . 5040 1 841 . 1 1 120 120 ASP HA H 1 4.29 0.01 . 1 . . . . . . . . 5040 1 842 . 1 1 120 120 ASP HB2 H 1 2.45 0.01 . 1 . . . . . . . . 5040 1 843 . 1 1 120 120 ASP HB3 H 1 2.35 0.01 . 1 . . . . . . . . 5040 1 844 . 1 1 120 120 ASP C C 13 176.7 0.2 . 1 . . . . . . . . 5040 1 845 . 1 1 120 120 ASP CA C 13 54.6 0.2 . 1 . . . . . . . . 5040 1 846 . 1 1 120 120 ASP CB C 13 40.8 0.2 . 1 . . . . . . . . 5040 1 847 . 1 1 120 120 ASP N N 15 120.8 0.2 . 1 . . . . . . . . 5040 1 848 . 1 1 121 121 THR H H 1 8.04 0.01 . 1 . . . . . . . . 5040 1 849 . 1 1 121 121 THR HA H 1 3.98 0.01 . 1 . . . . . . . . 5040 1 850 . 1 1 121 121 THR HB H 1 3.9 0.01 . 1 . . . . . . . . 5040 1 851 . 1 1 121 121 THR C C 13 175.0 0.2 . 1 . . . . . . . . 5040 1 852 . 1 1 121 121 THR CA C 13 62.0 0.2 . 1 . . . . . . . . 5040 1 853 . 1 1 121 121 THR CB C 13 69.4 0.2 . 1 . . . . . . . . 5040 1 854 . 1 1 121 121 THR N N 15 113.1 0.2 . 1 . . . . . . . . 5040 1 855 . 1 1 122 122 GLU H H 1 8.39 0.01 . 1 . . . . . . . . 5040 1 856 . 1 1 122 122 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 5040 1 857 . 1 1 122 122 GLU HB2 H 1 1.80 0.01 . 1 . . . . . . . . 5040 1 858 . 1 1 122 122 GLU HB3 H 1 1.69 0.01 . 1 . . . . . . . . 5040 1 859 . 1 1 122 122 GLU C C 13 176.9 0.2 . 1 . . . . . . . . 5040 1 860 . 1 1 122 122 GLU CA C 13 56.7 0.2 . 1 . . . . . . . . 5040 1 861 . 1 1 122 122 GLU CB C 13 29.8 0.2 . 1 . . . . . . . . 5040 1 862 . 1 1 122 122 GLU N N 15 122.9 0.2 . 1 . . . . . . . . 5040 1 863 . 1 1 123 123 VAL H H 1 8.03 0.01 . 1 . . . . . . . . 5040 1 864 . 1 1 123 123 VAL HA H 1 3.68 0.01 . 1 . . . . . . . . 5040 1 865 . 1 1 123 123 VAL HB H 1 1.75 0.01 . 1 . . . . . . . . 5040 1 866 . 1 1 123 123 VAL C C 13 176.7 0.2 . 1 . . . . . . . . 5040 1 867 . 1 1 123 123 VAL CA C 13 63.2 0.2 . 1 . . . . . . . . 5040 1 868 . 1 1 123 123 VAL CB C 13 32.5 0.2 . 1 . . . . . . . . 5040 1 869 . 1 1 123 123 VAL N N 15 120.6 0.2 . 1 . . . . . . . . 5040 1 870 . 1 1 124 124 GLU H H 1 8.4 0.01 . 1 . . . . . . . . 5040 1 871 . 1 1 124 124 GLU HA H 1 3.92 0.01 . 1 . . . . . . . . 5040 1 872 . 1 1 124 124 GLU HB2 H 1 1.73 0.01 . 2 . . . . . . . . 5040 1 873 . 1 1 124 124 GLU C C 13 174.2 0.2 . 1 . . . . . . . . 5040 1 874 . 1 1 124 124 GLU CA C 13 57.1 0.2 . 1 . . . . . . . . 5040 1 875 . 1 1 124 124 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 5040 1 876 . 1 1 124 124 GLU N N 15 120.6 0.2 . 1 . . . . . . . . 5040 1 877 . 1 1 125 125 SER H H 1 8.31 0.01 . 1 . . . . . . . . 5040 1 878 . 1 1 125 125 SER HA H 1 4.10 0.01 . 1 . . . . . . . . 5040 1 879 . 1 1 125 125 SER HB2 H 1 3.61 0.01 . 2 . . . . . . . . 5040 1 880 . 1 1 125 125 SER C C 13 175.1 0.2 . 1 . . . . . . . . 5040 1 881 . 1 1 125 125 SER CA C 13 58.7 0.2 . 1 . . . . . . . . 5040 1 882 . 1 1 125 125 SER CB C 13 63.4 0.2 . 1 . . . . . . . . 5040 1 883 . 1 1 125 125 SER N N 15 116.4 0.2 . 1 . . . . . . . . 5040 1 884 . 1 1 126 126 ARG H H 1 8.29 0.01 . 1 . . . . . . . . 5040 1 885 . 1 1 126 126 ARG HA H 1 4.05 0.01 . 1 . . . . . . . . 5040 1 886 . 1 1 126 126 ARG HB2 H 1 1.61 0.01 . 1 . . . . . . . . 5040 1 887 . 1 1 126 126 ARG HB3 H 1 1.52 0.01 . 1 . . . . . . . . 5040 1 888 . 1 1 126 126 ARG C C 13 176.6 0.2 . 1 . . . . . . . . 5040 1 889 . 1 1 126 126 ARG CA C 13 56.3 0.2 . 1 . . . . . . . . 5040 1 890 . 1 1 126 126 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 5040 1 891 . 1 1 126 126 ARG N N 15 122.4 0.2 . 1 . . . . . . . . 5040 1 892 . 1 1 127 127 LEU H H 1 8.17 0.01 . 1 . . . . . . . . 5040 1 893 . 1 1 127 127 LEU HA H 1 4.04 0.01 . 1 . . . . . . . . 5040 1 894 . 1 1 127 127 LEU HB2 H 1 1.41 0.01 . 1 . . . . . . . . 5040 1 895 . 1 1 127 127 LEU HB3 H 1 1.30 0.01 . 1 . . . . . . . . 5040 1 896 . 1 1 127 127 LEU C C 13 178.1 0.2 . 1 . . . . . . . . 5040 1 897 . 1 1 127 127 LEU CA C 13 55.4 0.2 . 1 . . . . . . . . 5040 1 898 . 1 1 127 127 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 5040 1 899 . 1 1 127 127 LEU N N 15 121.8 0.2 . 1 . . . . . . . . 5040 1 900 . 1 1 128 128 GLY H H 1 8.35 0.01 . 1 . . . . . . . . 5040 1 901 . 1 1 128 128 GLY HA2 H 1 3.73 0.01 . 2 . . . . . . . . 5040 1 902 . 1 1 128 128 GLY C C 13 174.6 0.2 . 1 . . . . . . . . 5040 1 903 . 1 1 128 128 GLY CA C 13 45.4 0.2 . 1 . . . . . . . . 5040 1 904 . 1 1 128 128 GLY N N 15 109.0 0.2 . 1 . . . . . . . . 5040 1 905 . 1 1 129 129 THR H H 1 8.09 0.01 . 1 . . . . . . . . 5040 1 906 . 1 1 129 129 THR HA H 1 4.13 0.01 . 1 . . . . . . . . 5040 1 907 . 1 1 129 129 THR HB H 1 4.01 0.01 . 1 . . . . . . . . 5040 1 908 . 1 1 129 129 THR C C 13 175.0 0.2 . 1 . . . . . . . . 5040 1 909 . 1 1 129 129 THR CA C 13 61.7 0.2 . 1 . . . . . . . . 5040 1 910 . 1 1 129 129 THR CB C 13 69.6 0.2 . 1 . . . . . . . . 5040 1 911 . 1 1 129 129 THR N N 15 112.7 0.2 . 1 . . . . . . . . 5040 1 912 . 1 1 130 130 SER H H 1 8.43 0.01 . 1 . . . . . . . . 5040 1 913 . 1 1 130 130 SER HA H 1 4.19 0.01 . 1 . . . . . . . . 5040 1 914 . 1 1 130 130 SER HB2 H 1 3.62 0.01 . 2 . . . . . . . . 5040 1 915 . 1 1 130 130 SER C C 13 175.2 0.2 . 1 . . . . . . . . 5040 1 916 . 1 1 130 130 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 5040 1 917 . 1 1 130 130 SER CB C 13 63.6 0.2 . 1 . . . . . . . . 5040 1 918 . 1 1 130 130 SER N N 15 117.8 0.2 . 1 . . . . . . . . 5040 1 919 . 1 1 131 131 GLY H H 1 8.5 0.01 . 1 . . . . . . . . 5040 1 920 . 1 1 131 131 GLY HA2 H 1 3.73 0.01 . 1 . . . . . . . . 5040 1 921 . 1 1 131 131 GLY HA3 H 1 3.73 0.01 . 1 . . . . . . . . 5040 1 922 . 1 1 131 131 GLY C C 13 174.4 0.2 . 1 . . . . . . . . 5040 1 923 . 1 1 131 131 GLY CA C 13 45.5 0.2 . 1 . . . . . . . . 5040 1 924 . 1 1 131 131 GLY N N 15 110.7 0.2 . 1 . . . . . . . . 5040 1 925 . 1 1 132 132 THR H H 1 8.07 0.01 . 1 . . . . . . . . 5040 1 926 . 1 1 132 132 THR HA H 1 4.02 0.01 . 1 . . . . . . . . 5040 1 927 . 1 1 132 132 THR HB H 1 3.92 0.01 . 1 . . . . . . . . 5040 1 928 . 1 1 132 132 THR C C 13 174.4 0.2 . 1 . . . . . . . . 5040 1 929 . 1 1 132 132 THR CA C 13 61.8 0.2 . 1 . . . . . . . . 5040 1 930 . 1 1 132 132 THR CB C 13 69.6 0.2 . 1 . . . . . . . . 5040 1 931 . 1 1 132 132 THR N N 15 113.5 0.2 . 1 . . . . . . . . 5040 1 932 . 1 1 133 133 ALA H H 1 8.31 0.01 . 1 . . . . . . . . 5040 1 933 . 1 1 133 133 ALA HA H 1 4.02 0.01 . 1 . . . . . . . . 5040 1 934 . 1 1 133 133 ALA HB1 H 1 1.10 0.01 . 1 . . . . . . . . 5040 1 935 . 1 1 133 133 ALA HB2 H 1 1.10 0.01 . 1 . . . . . . . . 5040 1 936 . 1 1 133 133 ALA HB3 H 1 1.10 0.01 . 1 . . . . . . . . 5040 1 937 . 1 1 133 133 ALA C C 13 177.7 0.2 . 1 . . . . . . . . 5040 1 938 . 1 1 133 133 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 5040 1 939 . 1 1 133 133 ALA CB C 13 19.0 0.2 . 1 . . . . . . . . 5040 1 940 . 1 1 133 133 ALA N N 15 126.5 0.2 . 1 . . . . . . . . 5040 1 941 . 1 1 134 134 LYS H H 1 8.29 0.01 . 1 . . . . . . . . 5040 1 942 . 1 1 134 134 LYS HA H 1 3.98 0.01 . 1 . . . . . . . . 5040 1 943 . 1 1 134 134 LYS HB2 H 1 1.49 0.01 . 2 . . . . . . . . 5040 1 944 . 1 1 134 134 LYS C C 13 176.6 0.2 . 1 . . . . . . . . 5040 1 945 . 1 1 134 134 LYS CA C 13 56.2 0.2 . 1 . . . . . . . . 5040 1 946 . 1 1 134 134 LYS CB C 13 32.9 0.2 . 1 . . . . . . . . 5040 1 947 . 1 1 134 134 LYS N N 15 120.89 0.2 . 1 . . . . . . . . 5040 1 948 . 1 1 135 135 LYS H H 1 8.42 0.01 . 1 . . . . . . . . 5040 1 949 . 1 1 135 135 LYS HA H 1 4.08 0.01 . 1 . . . . . . . . 5040 1 950 . 1 1 135 135 LYS HB2 H 1 1.56 0.01 . 1 . . . . . . . . 5040 1 951 . 1 1 135 135 LYS HB3 H 1 1.47 0.01 . 1 . . . . . . . . 5040 1 952 . 1 1 135 135 LYS C C 13 176.8 0.2 . 1 . . . . . . . . 5040 1 953 . 1 1 135 135 LYS CA C 13 56.3 0.2 . 1 . . . . . . . . 5040 1 954 . 1 1 135 135 LYS CB C 13 33.0 0.2 . 1 . . . . . . . . 5040 1 955 . 1 1 135 135 LYS N N 15 123.0 0.2 . 1 . . . . . . . . 5040 1 956 . 1 1 136 136 THR H H 1 8.19 0.01 . 1 . . . . . . . . 5040 1 957 . 1 1 136 136 THR HA H 1 4.00 0.01 . 1 . . . . . . . . 5040 1 958 . 1 1 136 136 THR HB H 1 3.93 0.01 . 1 . . . . . . . . 5040 1 959 . 1 1 136 136 THR C C 13 176.8 0.2 . 1 . . . . . . . . 5040 1 960 . 1 1 136 136 THR CA C 13 61.9 0.2 . 1 . . . . . . . . 5040 1 961 . 1 1 136 136 THR CB C 13 69.6 0.2 . 1 . . . . . . . . 5040 1 962 . 1 1 136 136 THR N N 15 116.0 0.2 . 1 . . . . . . . . 5040 1 963 . 1 1 137 137 ALA H H 1 8.39 0.01 . 1 . . . . . . . . 5040 1 964 . 1 1 137 137 ALA HA H 1 4.02 0.01 . 1 . . . . . . . . 5040 1 965 . 1 1 137 137 ALA HB1 H 1 1.11 0.01 . 1 . . . . . . . . 5040 1 966 . 1 1 137 137 ALA HB2 H 1 1.11 0.01 . 1 . . . . . . . . 5040 1 967 . 1 1 137 137 ALA HB3 H 1 1.11 0.01 . 1 . . . . . . . . 5040 1 968 . 1 1 137 137 ALA C C 13 177.7 0.2 . 1 . . . . . . . . 5040 1 969 . 1 1 137 137 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 5040 1 970 . 1 1 137 137 ALA CB C 13 19.1 0.2 . 1 . . . . . . . . 5040 1 971 . 1 1 137 137 ALA N N 15 126.0 0.2 . 1 . . . . . . . . 5040 1 972 . 1 1 138 138 GLU H H 1 8.39 0.01 . 1 . . . . . . . . 5040 1 973 . 1 1 138 138 GLU HA H 1 3.97 0.01 . 1 . . . . . . . . 5040 1 974 . 1 1 138 138 GLU HB2 H 1 1.74 0.01 . 1 . . . . . . . . 5040 1 975 . 1 1 138 138 GLU HB3 H 1 1.64 0.01 . 1 . . . . . . . . 5040 1 976 . 1 1 138 138 GLU C C 13 176.2 0.2 . 1 . . . . . . . . 5040 1 977 . 1 1 138 138 GLU CA C 13 54.6 0.2 . 1 . . . . . . . . 5040 1 978 . 1 1 138 138 GLU CB C 13 30.2 0.2 . 1 . . . . . . . . 5040 1 979 . 1 1 138 138 GLU N N 15 120.0 0.2 . 1 . . . . . . . . 5040 1 980 . 1 1 139 139 CYS H H 1 8.4 0.01 . 1 . . . . . . . . 5040 1 981 . 1 1 139 139 CYS HA H 1 4.21 0.01 . 1 . . . . . . . . 5040 1 982 . 1 1 139 139 CYS HB2 H 1 2.60 0.01 . 2 . . . . . . . . 5040 1 983 . 1 1 139 139 CYS C C 13 174.2 0.2 . 1 . . . . . . . . 5040 1 984 . 1 1 139 139 CYS CA C 13 58.3 0.2 . 1 . . . . . . . . 5040 1 985 . 1 1 139 139 CYS CB C 13 27.7 0.2 . 1 . . . . . . . . 5040 1 986 . 1 1 139 139 CYS N N 15 120.5 0.2 . 1 . . . . . . . . 5040 1 987 . 1 1 140 140 ILE H H 1 8.25 0.01 . 1 . . . . . . . . 5040 1 988 . 1 1 140 140 ILE HA H 1 4.17 0.01 . 1 . . . . . . . . 5040 1 989 . 1 1 140 140 ILE HB H 1 1.57 0.01 . 1 . . . . . . . . 5040 1 990 . 1 1 140 140 ILE C C 13 174.4 0.2 . 1 . . . . . . . . 5040 1 991 . 1 1 140 140 ILE CA C 13 58.7 0.2 . 1 . . . . . . . . 5040 1 992 . 1 1 140 140 ILE CB C 13 38.3 0.2 . 1 . . . . . . . . 5040 1 993 . 1 1 140 140 ILE N N 15 125.3 0.2 . 1 . . . . . . . . 5040 1 994 . 1 1 141 141 PRO HA H 1 4.11 0.01 . 1 . . . . . . . . 5040 1 995 . 1 1 141 141 PRO HB2 H 1 2.00 0.01 . 1 . . . . . . . . 5040 1 996 . 1 1 141 141 PRO HB3 H 1 1.58 0.01 . 1 . . . . . . . . 5040 1 997 . 1 1 141 141 PRO C C 13 176.8 0.2 . 1 . . . . . . . . 5040 1 998 . 1 1 141 141 PRO CA C 13 63.0 0.2 . 1 . . . . . . . . 5040 1 999 . 1 1 141 141 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 5040 1 1000 . 1 1 142 142 LYS H H 1 8.51 0.01 . 1 . . . . . . . . 5040 1 1001 . 1 1 142 142 LYS HA H 1 4.05 0.01 . 1 . . . . . . . . 5040 1 1002 . 1 1 142 142 LYS HB2 H 1 1.53 0.01 . 1 . . . . . . . . 5040 1 1003 . 1 1 142 142 LYS HB3 H 1 1.46 0.01 . 1 . . . . . . . . 5040 1 1004 . 1 1 142 142 LYS C C 13 176.9 0.2 . 1 . . . . . . . . 5040 1 1005 . 1 1 142 142 LYS CA C 13 56.2 0.2 . 1 . . . . . . . . 5040 1 1006 . 1 1 142 142 LYS CB C 13 32.6 0.2 . 1 . . . . . . . . 5040 1 1007 . 1 1 142 142 LYS N N 15 122.0 0.2 . 1 . . . . . . . . 5040 1 1008 . 1 1 143 143 THR H H 1 8.11 0.01 . 1 . . . . . . . . 5040 1 1009 . 1 1 143 143 THR HA H 1 3.99 0.01 . 1 . . . . . . . . 5040 1 1010 . 1 1 143 143 THR HB H 1 3.89 0.01 . 1 . . . . . . . . 5040 1 1011 . 1 1 143 143 THR C C 13 174.3 0.2 . 1 . . . . . . . . 5040 1 1012 . 1 1 143 143 THR CA C 13 61.4 0.2 . 1 . . . . . . . . 5040 1 1013 . 1 1 143 143 THR CB C 13 69.6 0.2 . 1 . . . . . . . . 5040 1 1014 . 1 1 143 143 THR N N 15 114.5 0.2 . 1 . . . . . . . . 5040 1 1015 . 1 1 144 144 HIS H H 1 8.5 0.01 . 1 . . . . . . . . 5040 1 1016 . 1 1 144 144 HIS HA H 1 4.39 0.01 . 1 . . . . . . . . 5040 1 1017 . 1 1 144 144 HIS HB2 H 1 2.89 0.01 . 1 . . . . . . . . 5040 1 1018 . 1 1 144 144 HIS HB3 H 1 2.83 0.01 . 1 . . . . . . . . 5040 1 1019 . 1 1 144 144 HIS C C 13 174.7 0.2 . 1 . . . . . . . . 5040 1 1020 . 1 1 144 144 HIS CA C 13 55.5 0.2 . 1 . . . . . . . . 5040 1 1021 . 1 1 144 144 HIS CB C 13 29.7 0.2 . 1 . . . . . . . . 5040 1 1022 . 1 1 144 144 HIS N N 15 120.5 0.2 . 1 . . . . . . . . 5040 1 1023 . 1 1 145 145 GLU H H 1 8.49 0.01 . 1 . . . . . . . . 5040 1 1024 . 1 1 145 145 GLU HA H 1 3.99 0.01 . 1 . . . . . . . . 5040 1 1025 . 1 1 145 145 GLU HB2 H 1 1.73 0.01 . 1 . . . . . . . . 5040 1 1026 . 1 1 145 145 GLU HB3 H 1 1.63 0.01 . 1 . . . . . . . . 5040 1 1027 . 1 1 145 145 GLU C C 13 176.5 0.2 . 1 . . . . . . . . 5040 1 1028 . 1 1 145 145 GLU CA C 13 56.5 0.2 . 1 . . . . . . . . 5040 1 1029 . 1 1 145 145 GLU CB C 13 30.0 0.2 . 1 . . . . . . . . 5040 1 1030 . 1 1 145 145 GLU N N 15 122.6 0.2 . 1 . . . . . . . . 5040 1 1031 . 1 1 146 146 ARG H H 1 8.6 0.01 . 1 . . . . . . . . 5040 1 1032 . 1 1 146 146 ARG HA H 1 4.02 0.01 . 1 . . . . . . . . 5040 1 1033 . 1 1 146 146 ARG HB2 H 1 1.59 0.01 . 1 . . . . . . . . 5040 1 1034 . 1 1 146 146 ARG HB3 H 1 1.50 0.01 . 1 . . . . . . . . 5040 1 1035 . 1 1 146 146 ARG C C 13 176.9 0.2 . 1 . . . . . . . . 5040 1 1036 . 1 1 146 146 ARG CA C 13 56.4 0.2 . 1 . . . . . . . . 5040 1 1037 . 1 1 146 146 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 5040 1 1038 . 1 1 146 146 ARG N N 15 122.6 0.2 . 1 . . . . . . . . 5040 1 1039 . 1 1 147 147 GLY H H 1 8.56 0.01 . 1 . . . . . . . . 5040 1 1040 . 1 1 147 147 GLY HA2 H 1 3.70 0.01 . 2 . . . . . . . . 5040 1 1041 . 1 1 147 147 GLY C C 13 174.1 0.2 . 1 . . . . . . . . 5040 1 1042 . 1 1 147 147 GLY CA C 13 45.2 0.2 . 1 . . . . . . . . 5040 1 1043 . 1 1 147 147 GLY N N 15 110.2 0.2 . 1 . . . . . . . . 5040 1 1044 . 1 1 148 148 SER H H 1 8.23 0.01 . 1 . . . . . . . . 5040 1 1045 . 1 1 148 148 SER HA H 1 4.15 0.01 . 1 . . . . . . . . 5040 1 1046 . 1 1 148 148 SER HB2 H 1 3.56 0.01 . 2 . . . . . . . . 5040 1 1047 . 1 1 148 148 SER C C 13 174.5 0.2 . 1 . . . . . . . . 5040 1 1048 . 1 1 148 148 SER CA C 13 58.3 0.2 . 1 . . . . . . . . 5040 1 1049 . 1 1 148 148 SER CB C 13 63.8 0.2 . 1 . . . . . . . . 5040 1 1050 . 1 1 148 148 SER N N 15 115.6 0.2 . 1 . . . . . . . . 5040 1 1051 . 1 1 149 149 LYS H H 1 8.44 0.01 . 1 . . . . . . . . 5040 1 1052 . 1 1 149 149 LYS HA H 1 4.06 0.01 . 1 . . . . . . . . 5040 1 1053 . 1 1 149 149 LYS HB2 H 1 1.55 0.01 . 1 . . . . . . . . 5040 1 1054 . 1 1 149 149 LYS HB3 H 1 1.44 0.01 . 1 . . . . . . . . 5040 1 1055 . 1 1 149 149 LYS C C 13 176.3 0.2 . 1 . . . . . . . . 5040 1 1056 . 1 1 149 149 LYS CA C 13 55.7 0.2 . 1 . . . . . . . . 5040 1 1057 . 1 1 149 149 LYS CB C 13 32.8 0.2 . 1 . . . . . . . . 5040 1 1058 . 1 1 149 149 LYS N N 15 123.0 0.2 . 1 . . . . . . . . 5040 1 1059 . 1 1 150 150 GLU H H 1 8.4 0.01 . 1 . . . . . . . . 5040 1 1060 . 1 1 150 150 GLU HA H 1 4.26 0.01 . 1 . . . . . . . . 5040 1 1061 . 1 1 150 150 GLU HB2 H 1 1.75 0.01 . 2 . . . . . . . . 5040 1 1062 . 1 1 150 150 GLU C C 13 174.6 0.2 . 1 . . . . . . . . 5040 1 1063 . 1 1 150 150 GLU CA C 13 54.4 0.2 . 1 . . . . . . . . 5040 1 1064 . 1 1 150 150 GLU CB C 13 29.3 0.2 . 1 . . . . . . . . 5040 1 1065 . 1 1 150 150 GLU N N 15 123.5 0.2 . 1 . . . . . . . . 5040 1 1066 . 1 1 151 151 PRO HA H 1 4.15 0.01 . 1 . . . . . . . . 5040 1 1067 . 1 1 151 151 PRO HB2 H 1 2.02 0.01 . 1 . . . . . . . . 5040 1 1068 . 1 1 151 151 PRO HB3 H 1 1.66 0.01 . 1 . . . . . . . . 5040 1 1069 . 1 1 151 151 PRO C C 13 177.0 0.2 . 1 . . . . . . . . 5040 1 1070 . 1 1 151 151 PRO CA C 13 63.1 0.2 . 1 . . . . . . . . 5040 1 1071 . 1 1 151 151 PRO CB C 13 31.9 0.2 . 1 . . . . . . . . 5040 1 1072 . 1 1 152 152 SER H H 1 8.51 0.01 . 1 . . . . . . . . 5040 1 1073 . 1 1 152 152 SER HA H 1 4.19 0.01 . 1 . . . . . . . . 5040 1 1074 . 1 1 152 152 SER HB2 H 1 3.61 0.01 . 1 . . . . . . . . 5040 1 1075 . 1 1 152 152 SER HB3 H 1 3.60 0.01 . 1 . . . . . . . . 5040 1 1076 . 1 1 152 152 SER C C 13 174.9 0.2 . 1 . . . . . . . . 5040 1 1077 . 1 1 152 152 SER CA C 13 58.3 0.2 . 1 . . . . . . . . 5040 1 1078 . 1 1 152 152 SER CB C 13 63.5 0.2 . 1 . . . . . . . . 5040 1 1079 . 1 1 152 152 SER N N 15 116.1 0.2 . 1 . . . . . . . . 5040 1 1080 . 1 1 153 153 THR H H 1 8.18 0.01 . 1 . . . . . . . . 5040 1 1081 . 1 1 153 153 THR HA H 1 4.06 0.01 . 1 . . . . . . . . 5040 1 1082 . 1 1 153 153 THR HB H 1 3.94 0.01 . 1 . . . . . . . . 5040 1 1083 . 1 1 153 153 THR C C 13 174.2 0.2 . 1 . . . . . . . . 5040 1 1084 . 1 1 153 153 THR CA C 13 61.6 0.2 . 1 . . . . . . . . 5040 1 1085 . 1 1 153 153 THR CB C 13 69.5 0.2 . 1 . . . . . . . . 5040 1 1086 . 1 1 153 153 THR N N 15 115.7 0.2 . 1 . . . . . . . . 5040 1 1087 . 1 1 154 154 LYS H H 1 8.32 0.01 . 1 . . . . . . . . 5040 1 1088 . 1 1 154 154 LYS HA H 1 4.04 0.01 . 1 . . . . . . . . 5040 1 1089 . 1 1 154 154 LYS HB2 H 1 1.53 0.01 . 1 . . . . . . . . 5040 1 1090 . 1 1 154 154 LYS HB3 H 1 1.43 0.01 . 1 . . . . . . . . 5040 1 1091 . 1 1 154 154 LYS C C 13 176.2 0.2 . 1 . . . . . . . . 5040 1 1092 . 1 1 154 154 LYS CA C 13 56.0 0.2 . 1 . . . . . . . . 5040 1 1093 . 1 1 154 154 LYS CB C 13 32.8 0.2 . 1 . . . . . . . . 5040 1 1094 . 1 1 154 154 LYS N N 15 123.6 0.2 . 1 . . . . . . . . 5040 1 1095 . 1 1 155 155 GLU H H 1 8.43 0.01 . 1 . . . . . . . . 5040 1 1096 . 1 1 155 155 GLU HA H 1 4.27 0.01 . 1 . . . . . . . . 5040 1 1097 . 1 1 155 155 GLU HB2 H 1 1.75 0.01 . 1 . . . . . . . . 5040 1 1098 . 1 1 155 155 GLU HB3 H 1 1.60 0.01 . 1 . . . . . . . . 5040 1 1099 . 1 1 155 155 GLU C C 13 174.6 0.2 . 1 . . . . . . . . 5040 1 1100 . 1 1 155 155 GLU CA C 13 54.2 0.2 . 1 . . . . . . . . 5040 1 1101 . 1 1 155 155 GLU CB C 13 29.4 0.2 . 1 . . . . . . . . 5040 1 1102 . 1 1 155 155 GLU N N 15 123.7 0.2 . 1 . . . . . . . . 5040 1 1103 . 1 1 156 156 PRO HA H 1 4.15 0.01 . 1 . . . . . . . . 5040 1 1104 . 1 1 156 156 PRO HB2 H 1 2.02 0.01 . 1 . . . . . . . . 5040 1 1105 . 1 1 156 156 PRO HB3 H 1 1.65 0.01 . 1 . . . . . . . . 5040 1 1106 . 1 1 156 156 PRO C C 13 177.0 0.2 . 1 . . . . . . . . 5040 1 1107 . 1 1 156 156 PRO CA C 13 63.0 0.2 . 1 . . . . . . . . 5040 1 1108 . 1 1 156 156 PRO CB C 13 31.9 0.2 . 1 . . . . . . . . 5040 1 1109 . 1 1 157 157 SER H H 1 8.5 0.01 . 1 . . . . . . . . 5040 1 1110 . 1 1 157 157 SER HA H 1 4.18 0.01 . 1 . . . . . . . . 5040 1 1111 . 1 1 157 157 SER HB2 H 1 3.58 0.01 . 1 . . . . . . . . 5040 1 1112 . 1 1 157 157 SER HB3 H 1 3.59 0.01 . 1 . . . . . . . . 5040 1 1113 . 1 1 157 157 SER C C 13 174.8 0.2 . 1 . . . . . . . . 5040 1 1114 . 1 1 157 157 SER CA C 13 58.1 0.2 . 1 . . . . . . . . 5040 1 1115 . 1 1 157 157 SER CB C 13 63.6 0.2 . 1 . . . . . . . . 5040 1 1116 . 1 1 157 157 SER N N 15 115.9 0.2 . 1 . . . . . . . . 5040 1 1117 . 1 1 158 158 THR H H 1 8.1 0.01 . 1 . . . . . . . . 5040 1 1118 . 1 1 158 158 THR HA H 1 4.02 0.01 . 1 . . . . . . . . 5040 1 1119 . 1 1 158 158 THR HB H 1 3.91 0.01 . 1 . . . . . . . . 5040 1 1120 . 1 1 158 158 THR C C 13 174.2 0.2 . 1 . . . . . . . . 5040 1 1121 . 1 1 158 158 THR CA C 13 61.7 0.2 . 1 . . . . . . . . 5040 1 1122 . 1 1 158 158 THR CB C 13 69.5 0.2 . 1 . . . . . . . . 5040 1 1123 . 1 1 158 158 THR N N 15 115.2 0.2 . 1 . . . . . . . . 5040 1 1124 . 1 1 159 159 HIS H H 1 8.46 0.01 . 1 . . . . . . . . 5040 1 1125 . 1 1 159 159 HIS HA H 1 4.39 0.01 . 1 . . . . . . . . 5040 1 1126 . 1 1 159 159 HIS HB2 H 1 2.85 0.01 . 2 . . . . . . . . 5040 1 1127 . 1 1 159 159 HIS C C 13 174.1 0.2 . 1 . . . . . . . . 5040 1 1128 . 1 1 159 159 HIS CA C 13 55.3 0.2 . 1 . . . . . . . . 5040 1 1129 . 1 1 159 159 HIS CB C 13 29.3 0.2 . 1 . . . . . . . . 5040 1 1130 . 1 1 159 159 HIS N N 15 121.4 0.2 . 1 . . . . . . . . 5040 1 1131 . 1 1 160 160 ILE H H 1 8.22 0.01 . 1 . . . . . . . . 5040 1 1132 . 1 1 160 160 ILE HA H 1 4.13 0.01 . 1 . . . . . . . . 5040 1 1133 . 1 1 160 160 ILE HB H 1 1.52 0.01 . 1 . . . . . . . . 5040 1 1134 . 1 1 160 160 ILE C C 13 174.0 0.2 . 1 . . . . . . . . 5040 1 1135 . 1 1 160 160 ILE CA C 13 58.5 0.2 . 1 . . . . . . . . 5040 1 1136 . 1 1 160 160 ILE CB C 13 38.4 0.2 . 1 . . . . . . . . 5040 1 1137 . 1 1 160 160 ILE N N 15 124.9 0.2 . 1 . . . . . . . . 5040 1 1138 . 1 1 162 162 PRO HA H 1 4.15 0.01 . 1 . . . . . . . . 5040 1 1139 . 1 1 162 162 PRO HB2 H 1 2.00 0.01 . 1 . . . . . . . . 5040 1 1140 . 1 1 162 162 PRO HB3 H 1 1.64 0.01 . 1 . . . . . . . . 5040 1 1141 . 1 1 162 162 PRO C C 13 177.0 0.2 . 1 . . . . . . . . 5040 1 1142 . 1 1 162 162 PRO CA C 13 62.6 0.2 . 1 . . . . . . . . 5040 1 1143 . 1 1 162 162 PRO CB C 13 31.9 0.2 . 1 . . . . . . . . 5040 1 1144 . 1 1 163 163 LEU H H 1 8.34 0.01 . 1 . . . . . . . . 5040 1 1145 . 1 1 163 163 LEU HA H 1 3.99 0.01 . 1 . . . . . . . . 5040 1 1146 . 1 1 163 163 LEU HB2 H 1 1.30 0.01 . 2 . . . . . . . . 5040 1 1147 . 1 1 163 163 LEU C C 13 177.3 0.2 . 1 . . . . . . . . 5040 1 1148 . 1 1 163 163 LEU CA C 13 55.4 0.2 . 1 . . . . . . . . 5040 1 1149 . 1 1 163 163 LEU CB C 13 42.3 0.2 . 1 . . . . . . . . 5040 1 1150 . 1 1 163 163 LEU N N 15 122.3 0.2 . 1 . . . . . . . . 5040 1 1151 . 1 1 164 164 ASP H H 1 8.36 0.01 . 1 . . . . . . . . 5040 1 1152 . 1 1 164 164 ASP HA H 1 4.32 0.01 . 1 . . . . . . . . 5040 1 1153 . 1 1 164 164 ASP HB2 H 1 2.40 0.01 . 2 . . . . . . . . 5040 1 1154 . 1 1 164 164 ASP C C 13 176.4 0.2 . 1 . . . . . . . . 5040 1 1155 . 1 1 164 164 ASP CA C 13 53.9 0.2 . 1 . . . . . . . . 5040 1 1156 . 1 1 164 164 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 5040 1 1157 . 1 1 164 164 ASP N N 15 120.9 0.2 . 1 . . . . . . . . 5040 1 1158 . 1 1 165 165 SER H H 1 8.26 0.01 . 1 . . . . . . . . 5040 1 1159 . 1 1 165 165 SER HA H 1 4.10 0.01 . 1 . . . . . . . . 5040 1 1160 . 1 1 165 165 SER HB2 H 1 3.62 0.01 . 1 . . . . . . . . 5040 1 1161 . 1 1 165 165 SER HB3 H 1 3.56 0.01 . 1 . . . . . . . . 5040 1 1162 . 1 1 165 165 SER C C 13 174.9 0.2 . 1 . . . . . . . . 5040 1 1163 . 1 1 165 165 SER CA C 13 58.6 0.2 . 1 . . . . . . . . 5040 1 1164 . 1 1 165 165 SER CB C 13 63.4 0.2 . 1 . . . . . . . . 5040 1 1165 . 1 1 165 165 SER N N 15 116.6 0.2 . 1 . . . . . . . . 5040 1 1166 . 1 1 166 166 LYS H H 1 8.4 0.01 . 1 . . . . . . . . 5040 1 1167 . 1 1 166 166 LYS HA H 1 4.02 0.01 . 1 . . . . . . . . 5040 1 1168 . 1 1 166 166 LYS HB2 H 1 1.54 0.01 . 2 . . . . . . . . 5040 1 1169 . 1 1 166 166 LYS C C 13 177.2 0.2 . 1 . . . . . . . . 5040 1 1170 . 1 1 166 166 LYS CA C 13 56.5 0.2 . 1 . . . . . . . . 5040 1 1171 . 1 1 166 166 LYS CB C 13 32.40 0.2 . 1 . . . . . . . . 5040 1 1172 . 1 1 166 166 LYS N N 15 122.9 0.2 . 1 . . . . . . . . 5040 1 1173 . 1 1 167 167 GLY H H 1 8.35 0.01 . 1 . . . . . . . . 5040 1 1174 . 1 1 167 167 GLY HA2 H 1 3.64 0.01 . 2 . . . . . . . . 5040 1 1175 . 1 1 167 167 GLY C C 13 174.0 0.2 . 1 . . . . . . . . 5040 1 1176 . 1 1 167 167 GLY CA C 13 45.2 0.2 . 1 . . . . . . . . 5040 1 1177 . 1 1 167 167 GLY N N 15 109.4 0.2 . 1 . . . . . . . . 5040 1 1178 . 1 1 168 168 ALA H H 1 8.26 0.01 . 1 . . . . . . . . 5040 1 1179 . 1 1 168 168 ALA HA H 1 4.01 0.01 . 1 . . . . . . . . 5040 1 1180 . 1 1 168 168 ALA HB1 H 1 1.09 0.01 . 1 . . . . . . . . 5040 1 1181 . 1 1 168 168 ALA HB2 H 1 1.09 0.01 . 1 . . . . . . . . 5040 1 1182 . 1 1 168 168 ALA HB3 H 1 1.09 0.01 . 1 . . . . . . . . 5040 1 1183 . 1 1 168 168 ALA C C 13 177.6 0.2 . 1 . . . . . . . . 5040 1 1184 . 1 1 168 168 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 5040 1 1185 . 1 1 168 168 ALA CB C 13 19.0 0.2 . 1 . . . . . . . . 5040 1 1186 . 1 1 168 168 ALA N N 15 123.6 0.2 . 1 . . . . . . . . 5040 1 1187 . 1 1 169 169 ASN H H 1 8.47 0.01 . 1 . . . . . . . . 5040 1 1188 . 1 1 169 169 ASN HA H 1 4.46 0.01 . 1 . . . . . . . . 5040 1 1189 . 1 1 169 169 ASN HB2 H 1 2.57 0.01 . 1 . . . . . . . . 5040 1 1190 . 1 1 169 169 ASN HB3 H 1 2.47 0.01 . 1 . . . . . . . . 5040 1 1191 . 1 1 169 169 ASN C C 13 175.1 0.2 . 1 . . . . . . . . 5040 1 1192 . 1 1 169 169 ASN CA C 13 53.0 0.2 . 1 . . . . . . . . 5040 1 1193 . 1 1 169 169 ASN CB C 13 38.7 0.2 . 1 . . . . . . . . 5040 1 1194 . 1 1 169 169 ASN N N 15 117.3 0.2 . 1 . . . . . . . . 5040 1 1195 . 1 1 170 170 SER H H 1 8.18 0.01 . 1 . . . . . . . . 5040 1 1196 . 1 1 170 170 SER HA H 1 4.19 0.01 . 1 . . . . . . . . 5040 1 1197 . 1 1 170 170 SER HB2 H 1 3.57 0.01 . 2 . . . . . . . . 5040 1 1198 . 1 1 170 170 SER C C 13 173.5 0.2 . 1 . . . . . . . . 5040 1 1199 . 1 1 170 170 SER CA C 13 58.2 0.2 . 1 . . . . . . . . 5040 1 1200 . 1 1 170 170 SER CB C 13 63.6 0.2 . 1 . . . . . . . . 5040 1 1201 . 1 1 170 170 SER N N 15 116.3 0.2 . 1 . . . . . . . . 5040 1 1202 . 1 1 171 171 VAL H H 1 7.77 0.01 . 1 . . . . . . . . 5040 1 1203 . 1 1 171 171 VAL HA H 1 3.77 0.01 . 1 . . . . . . . . 5040 1 1204 . 1 1 171 171 VAL HB H 1 1.80 0.01 . 1 . . . . . . . . 5040 1 1205 . 1 1 171 171 VAL C C 13 173.0 0.2 . 1 . . . . . . . . 5040 1 1206 . 1 1 171 171 VAL CA C 13 63.6 0.2 . 1 . . . . . . . . 5040 1 1207 . 1 1 171 171 VAL CB C 13 33.0 0.2 . 1 . . . . . . . . 5040 1 1208 . 1 1 171 171 VAL N N 15 125.2 0.2 . 1 . . . . . . . . 5040 1 stop_ save_