data_25757 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25757 _Entry.Title ; NMR structure of a human calmodulin / rat connexion-36 peptide hybrid ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-14 _Entry.Accession_date 2015-08-14 _Entry.Last_release_date 2015-08-21 _Entry.Original_release_date 2015-08-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'An investigation of calcium mediate signaling by the Connexin 36 gap junction protein' _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.ORCID _Entry_author.Entry_ID 1 Logan Donaldson . . . . 25757 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25757 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'calcium binding' . 25757 calmodulin . 25757 chimera . 25757 'gap junction' . 25757 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25757 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 596 25757 '15N chemical shifts' 152 25757 '1H chemical shifts' 827 25757 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-03-21 2015-08-14 update BMRB 'update entry citation' 25757 1 . . 2015-08-21 2015-08-14 original author 'original release' 25757 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N6A 'BMRB Entry Tracking System' 25757 PDB 3EWT 'calmodulin complex' 25757 PDB 4DJC 'calmodulin complex' 25757 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25757 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27917108 _Citation.Full_citation . _Citation.Title ; Structural and Functional Consequences of Connexin 36 (Cx36) Interaction with Calmodulin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Front. Mol. Neurosci.' _Citation.Journal_name_full 'Frontiers in molecular neuroscience' _Citation.Journal_volume 9 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 120 _Citation.Page_last 120 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ryan Siu R. C. . . 25757 1 2 Ekaterina Smirnova E. . . . 25757 1 3 Cherie Brown C. A. . . 25757 1 4 Christiane Zoidl C. . . . 25757 1 5 David Spray D. C. . . 25757 1 6 Logan Donaldson L. W. . . 25757 1 7 Georg Zoidl G. . . . 25757 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25757 _Assembly.ID 1 _Assembly.Name calmodulin-connexin36 _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 19590 _Assembly.Enzyme_commission_number . _Assembly.Details 'A fusion of human calmodulin, a short linker and a portion of the connexin 36 C-terminal cytoplasmic region.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 25757 1 2 'CALCIUM ION, 1' 2 $entity_CA B . no native no no . . . 25757 1 3 'CALCIUM ION, 2' 2 $entity_CA B . no native no no . . . 25757 1 4 'CALCIUM ION, 3' 2 $entity_CA B . no native no no . . . 25757 1 5 'CALCIUM ION, 4' 2 $entity_CA B . no native no no . . . 25757 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordinate single . 1 entity_1 1 THR 64 64 O . 3 'CALCIUM ION, 2' 2 CA 1 1 CA . . . . . . . . . . 25757 1 2 coordinate single . 1 entity_1 1 GLU 142 142 OE2 . 5 'CALCIUM ION, 4' 2 CA 1 1 CA . . . . . . . . . . 25757 1 3 coordinate single . 1 entity_1 1 ASP 97 97 OD2 . 4 'CALCIUM ION, 3' 2 CA 1 1 CA . . . . . . . . . . 25757 1 4 coordinate single . 1 entity_1 1 GLU 33 33 OE1 . 2 'CALCIUM ION, 1' 2 CA 1 1 CA . . . . . . . . . . 25757 1 5 coordinate single . 1 entity_1 1 THR 28 28 O . 2 'CALCIUM ION, 1' 2 CA 1 1 CA . . . . . . . . . . 25757 1 6 coordinate single . 1 entity_1 1 ASP 135 135 OD2 . 5 'CALCIUM ION, 4' 2 CA 1 1 CA . . . . . . . . . . 25757 1 7 coordinate single . 1 entity_1 1 ASN 99 99 OD1 . 4 'CALCIUM ION, 3' 2 CA 1 1 CA . . . . . . . . . . 25757 1 8 coordinate single . 1 entity_1 1 ASP 131 131 OD1 . 5 'CALCIUM ION, 4' 2 CA 1 1 CA . . . . . . . . . . 25757 1 9 coordinate single . 1 entity_1 1 GLU 106 106 OE1 . 4 'CALCIUM ION, 3' 2 CA 1 1 CA . . . . . . . . . . 25757 1 10 coordinate single . 1 entity_1 1 TYR 101 101 O . 4 'CALCIUM ION, 3' 2 CA 1 1 CA . . . . . . . . . . 25757 1 11 coordinate single . 1 entity_1 1 GLU 69 69 OE2 . 3 'CALCIUM ION, 2' 2 CA 1 1 CA . . . . . . . . . . 25757 1 12 coordinate single . 1 entity_1 1 ASP 26 26 OD2 . 2 'CALCIUM ION, 1' 2 CA 1 1 CA . . . . . . . . . . 25757 1 13 coordinate single . 1 entity_1 1 ASP 60 60 OD1 . 3 'CALCIUM ION, 2' 2 CA 1 1 CA . . . . . . . . . . 25757 1 14 coordinate single . 1 entity_1 1 ASP 22 22 OD1 . 2 'CALCIUM ION, 1' 2 CA 1 1 CA . . . . . . . . . . 25757 1 15 coordinate single . 1 entity_1 1 GLU 33 33 OE2 . 2 'CALCIUM ION, 1' 2 CA 1 1 CA . . . . . . . . . . 25757 1 16 coordinate single . 1 entity_1 1 ASP 24 24 OD2 . 2 'CALCIUM ION, 1' 2 CA 1 1 CA . . . . . . . . . . 25757 1 17 coordinate single . 1 entity_1 1 ASP 95 95 OD1 . 4 'CALCIUM ION, 3' 2 CA 1 1 CA . . . . . . . . . . 25757 1 18 coordinate single . 1 entity_1 1 ASN 62 62 OD1 . 3 'CALCIUM ION, 2' 2 CA 1 1 CA . . . . . . . . . . 25757 1 19 coordinate single . 1 entity_1 1 ASP 133 133 OD1 . 5 'CALCIUM ION, 4' 2 CA 1 1 CA . . . . . . . . . . 25757 1 20 coordinate single . 1 entity_1 1 GLU 106 106 OE2 . 4 'CALCIUM ION, 3' 2 CA 1 1 CA . . . . . . . . . . 25757 1 21 coordinate single . 1 entity_1 1 GLN 137 137 O . 5 'CALCIUM ION, 4' 2 CA 1 1 CA . . . . . . . . . . 25757 1 22 coordinate single . 1 entity_1 1 GLU 142 142 OE1 . 5 'CALCIUM ION, 4' 2 CA 1 1 CA . . . . . . . . . . 25757 1 23 coordinate single . 1 entity_1 1 ASP 58 58 OD1 . 3 'CALCIUM ION, 2' 2 CA 1 1 CA . . . . . . . . . . 25757 1 24 coordinate single . 1 entity_1 1 GLU 69 69 OE1 . 3 'CALCIUM ION, 2' 2 CA 1 1 CA . . . . . . . . . . 25757 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 25757 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HHHHHHTEEQIAEFKEAFSL FDKDGDGTITTKELGTVMRS LGQNPTEAELQDMINEVDAD GNGTIDFPEFLTMMARKMKD TDSEEEIREAFRVFDKDGNG YISAAELRHVMTNLGEKLTD EEVDEMIREADIDGDGQVNY EEFVQMMTGASTAAGSGWRK IKLAVRGAQAKRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'numbering made to be consistent with other calmodulin structures' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 173 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18006.084 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes PDB 1CDL . calmodulin . . . . . . . . . . . . . . 25757 1 2 yes UNP O70610 . connexin-36 . . . . . . . . . . . . . . 25757 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 -1 HIS . 25757 1 2 0 HIS . 25757 1 3 1 HIS . 25757 1 4 2 HIS . 25757 1 5 3 HIS . 25757 1 6 4 HIS . 25757 1 7 5 THR . 25757 1 8 6 GLU . 25757 1 9 7 GLU . 25757 1 10 8 GLN . 25757 1 11 9 ILE . 25757 1 12 10 ALA . 25757 1 13 11 GLU . 25757 1 14 12 PHE . 25757 1 15 13 LYS . 25757 1 16 14 GLU . 25757 1 17 15 ALA . 25757 1 18 16 PHE . 25757 1 19 17 SER . 25757 1 20 18 LEU . 25757 1 21 19 PHE . 25757 1 22 20 ASP . 25757 1 23 21 LYS . 25757 1 24 22 ASP . 25757 1 25 23 GLY . 25757 1 26 24 ASP . 25757 1 27 25 GLY . 25757 1 28 26 THR . 25757 1 29 27 ILE . 25757 1 30 28 THR . 25757 1 31 29 THR . 25757 1 32 30 LYS . 25757 1 33 31 GLU . 25757 1 34 32 LEU . 25757 1 35 33 GLY . 25757 1 36 34 THR . 25757 1 37 35 VAL . 25757 1 38 36 MET . 25757 1 39 37 ARG . 25757 1 40 38 SER . 25757 1 41 39 LEU . 25757 1 42 40 GLY . 25757 1 43 41 GLN . 25757 1 44 42 ASN . 25757 1 45 43 PRO . 25757 1 46 44 THR . 25757 1 47 45 GLU . 25757 1 48 46 ALA . 25757 1 49 47 GLU . 25757 1 50 48 LEU . 25757 1 51 49 GLN . 25757 1 52 50 ASP . 25757 1 53 51 MET . 25757 1 54 52 ILE . 25757 1 55 53 ASN . 25757 1 56 54 GLU . 25757 1 57 55 VAL . 25757 1 58 56 ASP . 25757 1 59 57 ALA . 25757 1 60 58 ASP . 25757 1 61 59 GLY . 25757 1 62 60 ASN . 25757 1 63 61 GLY . 25757 1 64 62 THR . 25757 1 65 63 ILE . 25757 1 66 64 ASP . 25757 1 67 65 PHE . 25757 1 68 66 PRO . 25757 1 69 67 GLU . 25757 1 70 68 PHE . 25757 1 71 69 LEU . 25757 1 72 70 THR . 25757 1 73 71 MET . 25757 1 74 72 MET . 25757 1 75 73 ALA . 25757 1 76 74 ARG . 25757 1 77 75 LYS . 25757 1 78 76 MET . 25757 1 79 77 LYS . 25757 1 80 78 ASP . 25757 1 81 79 THR . 25757 1 82 80 ASP . 25757 1 83 81 SER . 25757 1 84 82 GLU . 25757 1 85 83 GLU . 25757 1 86 84 GLU . 25757 1 87 85 ILE . 25757 1 88 86 ARG . 25757 1 89 87 GLU . 25757 1 90 88 ALA . 25757 1 91 89 PHE . 25757 1 92 90 ARG . 25757 1 93 91 VAL . 25757 1 94 92 PHE . 25757 1 95 93 ASP . 25757 1 96 94 LYS . 25757 1 97 95 ASP . 25757 1 98 96 GLY . 25757 1 99 97 ASN . 25757 1 100 98 GLY . 25757 1 101 99 TYR . 25757 1 102 100 ILE . 25757 1 103 101 SER . 25757 1 104 102 ALA . 25757 1 105 103 ALA . 25757 1 106 104 GLU . 25757 1 107 105 LEU . 25757 1 108 106 ARG . 25757 1 109 107 HIS . 25757 1 110 108 VAL . 25757 1 111 109 MET . 25757 1 112 110 THR . 25757 1 113 111 ASN . 25757 1 114 112 LEU . 25757 1 115 113 GLY . 25757 1 116 114 GLU . 25757 1 117 115 LYS . 25757 1 118 116 LEU . 25757 1 119 117 THR . 25757 1 120 118 ASP . 25757 1 121 119 GLU . 25757 1 122 120 GLU . 25757 1 123 121 VAL . 25757 1 124 122 ASP . 25757 1 125 123 GLU . 25757 1 126 124 MET . 25757 1 127 125 ILE . 25757 1 128 126 ARG . 25757 1 129 127 GLU . 25757 1 130 128 ALA . 25757 1 131 129 ASP . 25757 1 132 130 ILE . 25757 1 133 131 ASP . 25757 1 134 132 GLY . 25757 1 135 133 ASP . 25757 1 136 134 GLY . 25757 1 137 135 GLN . 25757 1 138 136 VAL . 25757 1 139 137 ASN . 25757 1 140 138 TYR . 25757 1 141 139 GLU . 25757 1 142 140 GLU . 25757 1 143 141 PHE . 25757 1 144 142 VAL . 25757 1 145 143 GLN . 25757 1 146 144 MET . 25757 1 147 145 MET . 25757 1 148 146 THR . 25757 1 149 147 GLY . 25757 1 150 148 ALA . 25757 1 151 149 SER . 25757 1 152 150 THR . 25757 1 153 151 ALA . 25757 1 154 152 ALA . 25757 1 155 153 GLY . 25757 1 156 154 SER . 25757 1 157 155 GLY . 25757 1 158 156 TRP . 25757 1 159 157 ARG . 25757 1 160 158 LYS . 25757 1 161 159 ILE . 25757 1 162 160 LYS . 25757 1 163 161 LEU . 25757 1 164 162 ALA . 25757 1 165 163 VAL . 25757 1 166 164 ARG . 25757 1 167 165 GLY . 25757 1 168 166 ALA . 25757 1 169 167 GLN . 25757 1 170 168 ALA . 25757 1 171 169 LYS . 25757 1 172 170 ARG . 25757 1 173 171 LYS . 25757 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 . HIS 1 1 25757 1 . HIS 2 2 25757 1 . HIS 3 3 25757 1 . HIS 4 4 25757 1 . HIS 5 5 25757 1 . HIS 6 6 25757 1 . THR 7 7 25757 1 . GLU 8 8 25757 1 . GLU 9 9 25757 1 . GLN 10 10 25757 1 . ILE 11 11 25757 1 . ALA 12 12 25757 1 . GLU 13 13 25757 1 . PHE 14 14 25757 1 . LYS 15 15 25757 1 . GLU 16 16 25757 1 . ALA 17 17 25757 1 . PHE 18 18 25757 1 . SER 19 19 25757 1 . LEU 20 20 25757 1 . PHE 21 21 25757 1 . ASP 22 22 25757 1 . LYS 23 23 25757 1 . ASP 24 24 25757 1 . GLY 25 25 25757 1 . ASP 26 26 25757 1 . GLY 27 27 25757 1 . THR 28 28 25757 1 . ILE 29 29 25757 1 . THR 30 30 25757 1 . THR 31 31 25757 1 . LYS 32 32 25757 1 . GLU 33 33 25757 1 . LEU 34 34 25757 1 . GLY 35 35 25757 1 . THR 36 36 25757 1 . VAL 37 37 25757 1 . MET 38 38 25757 1 . ARG 39 39 25757 1 . SER 40 40 25757 1 . LEU 41 41 25757 1 . GLY 42 42 25757 1 . GLN 43 43 25757 1 . ASN 44 44 25757 1 . PRO 45 45 25757 1 . THR 46 46 25757 1 . GLU 47 47 25757 1 . ALA 48 48 25757 1 . GLU 49 49 25757 1 . LEU 50 50 25757 1 . GLN 51 51 25757 1 . ASP 52 52 25757 1 . MET 53 53 25757 1 . ILE 54 54 25757 1 . ASN 55 55 25757 1 . GLU 56 56 25757 1 . VAL 57 57 25757 1 . ASP 58 58 25757 1 . ALA 59 59 25757 1 . ASP 60 60 25757 1 . GLY 61 61 25757 1 . ASN 62 62 25757 1 . GLY 63 63 25757 1 . THR 64 64 25757 1 . ILE 65 65 25757 1 . ASP 66 66 25757 1 . PHE 67 67 25757 1 . PRO 68 68 25757 1 . GLU 69 69 25757 1 . PHE 70 70 25757 1 . LEU 71 71 25757 1 . THR 72 72 25757 1 . MET 73 73 25757 1 . MET 74 74 25757 1 . ALA 75 75 25757 1 . ARG 76 76 25757 1 . LYS 77 77 25757 1 . MET 78 78 25757 1 . LYS 79 79 25757 1 . ASP 80 80 25757 1 . THR 81 81 25757 1 . ASP 82 82 25757 1 . SER 83 83 25757 1 . GLU 84 84 25757 1 . GLU 85 85 25757 1 . GLU 86 86 25757 1 . ILE 87 87 25757 1 . ARG 88 88 25757 1 . GLU 89 89 25757 1 . ALA 90 90 25757 1 . PHE 91 91 25757 1 . ARG 92 92 25757 1 . VAL 93 93 25757 1 . PHE 94 94 25757 1 . ASP 95 95 25757 1 . LYS 96 96 25757 1 . ASP 97 97 25757 1 . GLY 98 98 25757 1 . ASN 99 99 25757 1 . GLY 100 100 25757 1 . TYR 101 101 25757 1 . ILE 102 102 25757 1 . SER 103 103 25757 1 . ALA 104 104 25757 1 . ALA 105 105 25757 1 . GLU 106 106 25757 1 . LEU 107 107 25757 1 . ARG 108 108 25757 1 . HIS 109 109 25757 1 . VAL 110 110 25757 1 . MET 111 111 25757 1 . THR 112 112 25757 1 . ASN 113 113 25757 1 . LEU 114 114 25757 1 . GLY 115 115 25757 1 . GLU 116 116 25757 1 . LYS 117 117 25757 1 . LEU 118 118 25757 1 . THR 119 119 25757 1 . ASP 120 120 25757 1 . GLU 121 121 25757 1 . GLU 122 122 25757 1 . VAL 123 123 25757 1 . ASP 124 124 25757 1 . GLU 125 125 25757 1 . MET 126 126 25757 1 . ILE 127 127 25757 1 . ARG 128 128 25757 1 . GLU 129 129 25757 1 . ALA 130 130 25757 1 . ASP 131 131 25757 1 . ILE 132 132 25757 1 . ASP 133 133 25757 1 . GLY 134 134 25757 1 . ASP 135 135 25757 1 . GLY 136 136 25757 1 . GLN 137 137 25757 1 . VAL 138 138 25757 1 . ASN 139 139 25757 1 . TYR 140 140 25757 1 . GLU 141 141 25757 1 . GLU 142 142 25757 1 . PHE 143 143 25757 1 . VAL 144 144 25757 1 . GLN 145 145 25757 1 . MET 146 146 25757 1 . MET 147 147 25757 1 . THR 148 148 25757 1 . GLY 149 149 25757 1 . ALA 150 150 25757 1 . SER 151 151 25757 1 . THR 152 152 25757 1 . ALA 153 153 25757 1 . ALA 154 154 25757 1 . GLY 155 155 25757 1 . SER 156 156 25757 1 . GLY 157 157 25757 1 . TRP 158 158 25757 1 . ARG 159 159 25757 1 . LYS 160 160 25757 1 . ILE 161 161 25757 1 . LYS 162 162 25757 1 . LEU 163 163 25757 1 . ALA 164 164 25757 1 . VAL 165 165 25757 1 . ARG 166 166 25757 1 . GLY 167 167 25757 1 . ALA 168 168 25757 1 . GLN 169 169 25757 1 . ALA 170 170 25757 1 . LYS 171 171 25757 1 . ARG 172 172 25757 1 . LYS 173 173 25757 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 25757 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 25757 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 25757 2 CA 'Three letter code' 25757 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 25757 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25757 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . 'multiple natural sources' 25757 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 25757 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pD441 . . 'dna20.com direct gene synthesis in His-tagged T5 promoter based plasmid' 25757 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 25757 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 25757 CA InChI=1S/Ca/q+2 InChI InChI 1.03 25757 CA [Ca++] SMILES CACTVS 3.341 25757 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 25757 CA [Ca+2] SMILES ACDLabs 10.04 25757 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 25757 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25757 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 25757 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25757 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25757 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25757 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 2.0 . . mM . . . . 25757 1 2 'sodium azide' 'natural abundance' . . . . . . 0.05 . . '% w/v' . . . . 25757 1 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 25757 1 4 Tris 'natural abundance' . . . . . . 5 . . mM . . . . 25757 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25757 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.25 . M 25757 1 pH 7.4 . pH 25757 1 pressure 1 . atm 25757 1 temperature 293 . K 25757 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25757 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25757 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25757 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25757 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25757 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25757 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25757 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25757 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 25757 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 25757 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25757 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25757 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25757 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25757 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25757 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25757 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25757 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25757 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25757 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25757 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25757 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25757 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25757 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25757 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25757 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25757 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25757 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25757 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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 '2D 1H-15N HSQC' . . . 25757 1 2 '2D 1H-13C HSQC aliphatic' . . . 25757 1 4 '3D CBCA(CO)NH' . . . 25757 1 5 '3D C(CO)NH' . . . 25757 1 6 '3D HNCO' . . . 25757 1 8 '3D HNCACB' . . . 25757 1 9 '3D H(CCO)NH' . . . 25757 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 6 6 HIS HA H 1 4.671 0.000 . 1 . . . . 4 His HA . 25757 1 2 . 1 1 6 6 HIS HB2 H 1 2.508 0.000 . 2 . . . . 4 His HB2 . 25757 1 3 . 1 1 6 6 HIS HB3 H 1 1.980 0.000 . 2 . . . . 4 His HB3 . 25757 1 4 . 1 1 6 6 HIS C C 13 176.173 0.000 . 1 . . . . 4 His C . 25757 1 5 . 1 1 6 6 HIS CA C 13 55.635 0.000 . 1 . . . . 4 His CA . 25757 1 6 . 1 1 6 6 HIS CB C 13 35.158 0.000 . 1 . . . . 4 His CB . 25757 1 7 . 1 1 7 7 THR H H 1 8.585 0.003 . 1 . . . . 5 Thr H . 25757 1 8 . 1 1 7 7 THR HA H 1 4.779 0.000 . 1 . . . . 5 Thr HA . 25757 1 9 . 1 1 7 7 THR HB H 1 4.430 0.000 . 1 . . . . 5 Thr HB . 25757 1 10 . 1 1 7 7 THR HG21 H 1 1.307 0.000 . 1 . . . . 5 Thr HG21 . 25757 1 11 . 1 1 7 7 THR HG22 H 1 1.307 0.000 . 1 . . . . 5 Thr HG22 . 25757 1 12 . 1 1 7 7 THR HG23 H 1 1.307 0.000 . 1 . . . . 5 Thr HG23 . 25757 1 13 . 1 1 7 7 THR C C 13 175.352 0.000 . 1 . . . . 5 Thr C . 25757 1 14 . 1 1 7 7 THR CA C 13 60.900 0.000 . 1 . . . . 5 Thr CA . 25757 1 15 . 1 1 7 7 THR CB C 13 71.022 0.059 . 1 . . . . 5 Thr CB . 25757 1 16 . 1 1 7 7 THR N N 15 112.910 0.000 . 1 . . . . 5 Thr N . 25757 1 17 . 1 1 8 8 GLU H H 1 9.071 0.004 . 1 . . . . 6 Glu H . 25757 1 18 . 1 1 8 8 GLU HA H 1 3.950 0.000 . 1 . . . . 6 Glu HA . 25757 1 19 . 1 1 8 8 GLU HB2 H 1 2.028 0.000 . 1 . . . . 6 Glu HB2 . 25757 1 20 . 1 1 8 8 GLU HG2 H 1 2.352 0.000 . 2 . . . . 6 Glu HG2 . 25757 1 21 . 1 1 8 8 GLU HG3 H 1 2.340 0.000 . 2 . . . . 6 Glu HG3 . 25757 1 22 . 1 1 8 8 GLU C C 13 179.499 0.014 . 1 . . . . 6 Glu C . 25757 1 23 . 1 1 8 8 GLU CA C 13 59.964 0.000 . 1 . . . . 6 Glu CA . 25757 1 24 . 1 1 8 8 GLU CB C 13 29.190 0.000 . 1 . . . . 6 Glu CB . 25757 1 25 . 1 1 8 8 GLU N N 15 120.470 0.000 . 1 . . . . 6 Glu N . 25757 1 26 . 1 1 9 9 GLU H H 1 8.780 0.003 . 1 . . . . 7 Glu H . 25757 1 27 . 1 1 9 9 GLU HA H 1 4.058 0.000 . 1 . . . . 7 Glu HA . 25757 1 28 . 1 1 9 9 GLU HB2 H 1 1.980 0.000 . 2 . . . . 7 Glu HB2 . 25757 1 29 . 1 1 9 9 GLU HB3 H 1 1.932 0.000 . 2 . . . . 7 Glu HB3 . 25757 1 30 . 1 1 9 9 GLU HG2 H 1 2.304 0.000 . 2 . . . . 7 Glu HG2 . 25757 1 31 . 1 1 9 9 GLU HG3 H 1 2.328 0.000 . 2 . . . . 7 Glu HG3 . 25757 1 32 . 1 1 9 9 GLU C C 13 179.075 0.000 . 1 . . . . 7 Glu C . 25757 1 33 . 1 1 9 9 GLU CA C 13 60.023 0.059 . 1 . . . . 7 Glu CA . 25757 1 34 . 1 1 9 9 GLU CB C 13 29.307 0.000 . 1 . . . . 7 Glu CB . 25757 1 35 . 1 1 9 9 GLU N N 15 119.500 0.000 . 1 . . . . 7 Glu N . 25757 1 36 . 1 1 10 10 GLN H H 1 7.734 0.004 . 1 . . . A 8 GLN H . 25757 1 37 . 1 1 10 10 GLN HA H 1 3.926 0.000 . 1 . . . A 8 GLN HA . 25757 1 38 . 1 1 10 10 GLN HB2 H 1 1.644 0.000 . 2 . . . A 8 GLN HB3 . 25757 1 39 . 1 1 10 10 GLN HB3 H 1 1.427 0.000 . 2 . . . A 8 GLN HB3 . 25757 1 40 . 1 1 10 10 GLN HG2 H 1 1.920 0.000 . 2 . . . A 8 GLN HG3 . 25757 1 41 . 1 1 10 10 GLN HG3 H 1 1.896 0.000 . 2 . . . A 8 GLN HG3 . 25757 1 42 . 1 1 10 10 GLN CA C 13 60.143 0.000 . 1 . . . A 8 GLN CA . 25757 1 43 . 1 1 10 10 GLN CB C 13 32.411 0.000 . 1 . . . A 8 GLN CB . 25757 1 44 . 1 1 10 10 GLN N N 15 120.577 0.002 . 1 . . . A 8 GLN N . 25757 1 45 . 1 1 11 11 ILE H H 1 7.366 0.020 . 1 . . . A 9 ILE H . 25757 1 46 . 1 1 11 11 ILE HA H 1 3.757 0.012 . 1 . . . A 9 ILE HA . 25757 1 47 . 1 1 11 11 ILE HB H 1 1.948 0.019 . 1 . . . A 9 ILE HB . 25757 1 48 . 1 1 11 11 ILE HG12 H 1 1.115 0.001 . 2 . . . A 9 ILE HG13 . 25757 1 49 . 1 1 11 11 ILE HG13 H 1 1.690 0.005 . 2 . . . A 9 ILE HG13 . 25757 1 50 . 1 1 11 11 ILE HG21 H 1 1.054 0.005 . 1 . . . A 9 ILE HG21 . 25757 1 51 . 1 1 11 11 ILE HG22 H 1 1.054 0.005 . 1 . . . A 9 ILE HG22 . 25757 1 52 . 1 1 11 11 ILE HG23 H 1 1.054 0.005 . 1 . . . A 9 ILE HG23 . 25757 1 53 . 1 1 11 11 ILE HD11 H 1 0.788 0.020 . 1 . . . A 9 ILE HD11 . 25757 1 54 . 1 1 11 11 ILE HD12 H 1 0.788 0.020 . 1 . . . A 9 ILE HD12 . 25757 1 55 . 1 1 11 11 ILE HD13 H 1 0.788 0.020 . 1 . . . A 9 ILE HD13 . 25757 1 56 . 1 1 11 11 ILE C C 13 177.828 0.010 . 1 . . . A 9 ILE C . 25757 1 57 . 1 1 11 11 ILE CA C 13 65.604 0.100 . 1 . . . A 9 ILE CA . 25757 1 58 . 1 1 11 11 ILE CB C 13 37.598 0.076 . 1 . . . A 9 ILE CB . 25757 1 59 . 1 1 11 11 ILE CG1 C 13 29.644 0.082 . 1 . . . A 9 ILE CG1 . 25757 1 60 . 1 1 11 11 ILE CG2 C 13 17.518 0.298 . 1 . . . A 9 ILE CG2 . 25757 1 61 . 1 1 11 11 ILE CD1 C 13 12.783 0.013 . 1 . . . A 9 ILE CD1 . 25757 1 62 . 1 1 11 11 ILE N N 15 116.733 0.064 . 1 . . . A 9 ILE N . 25757 1 63 . 1 1 12 12 ALA H H 1 8.039 0.007 . 1 . . . A 10 ALA H . 25757 1 64 . 1 1 12 12 ALA HA H 1 4.075 0.020 . 1 . . . A 10 ALA HA . 25757 1 65 . 1 1 12 12 ALA HB1 H 1 1.483 0.013 . 1 . . . A 10 ALA HB1 . 25757 1 66 . 1 1 12 12 ALA HB2 H 1 1.483 0.013 . 1 . . . A 10 ALA HB2 . 25757 1 67 . 1 1 12 12 ALA HB3 H 1 1.483 0.013 . 1 . . . A 10 ALA HB3 . 25757 1 68 . 1 1 12 12 ALA C C 13 180.921 0.010 . 1 . . . A 10 ALA C . 25757 1 69 . 1 1 12 12 ALA CA C 13 55.603 0.000 . 1 . . . A 10 ALA CA . 25757 1 70 . 1 1 12 12 ALA CB C 13 17.984 0.039 . 1 . . . A 10 ALA CB . 25757 1 71 . 1 1 12 12 ALA N N 15 121.080 0.000 . 1 . . . A 10 ALA N . 25757 1 72 . 1 1 13 13 GLU H H 1 7.741 0.010 . 1 . . . A 11 GLU H . 25757 1 73 . 1 1 13 13 GLU HA H 1 4.089 0.012 . 1 . . . A 11 GLU HA . 25757 1 74 . 1 1 13 13 GLU HB2 H 1 1.980 0.000 . 2 . . . A 11 GLU HB3 . 25757 1 75 . 1 1 13 13 GLU HB3 H 1 1.920 0.000 . 2 . . . A 11 GLU HB3 . 25757 1 76 . 1 1 13 13 GLU HG2 H 1 2.304 0.000 . 2 . . . A 11 GLU HG3 . 25757 1 77 . 1 1 13 13 GLU HG3 H 1 2.328 0.000 . 2 . . . A 11 GLU HG3 . 25757 1 78 . 1 1 13 13 GLU C C 13 179.561 0.000 . 1 . . . A 11 GLU C . 25757 1 79 . 1 1 13 13 GLU CA C 13 59.885 0.000 . 1 . . . A 11 GLU CA . 25757 1 80 . 1 1 13 13 GLU CB C 13 29.463 0.000 . 1 . . . A 11 GLU CB . 25757 1 81 . 1 1 13 13 GLU N N 15 119.580 0.000 . 1 . . . A 11 GLU N . 25757 1 82 . 1 1 14 14 PHE H H 1 8.470 0.015 . 1 . . . A 12 PHE H . 25757 1 83 . 1 1 14 14 PHE HA H 1 4.826 0.009 . 1 . . . A 12 PHE HA . 25757 1 84 . 1 1 14 14 PHE HB3 H 1 3.416 0.032 . 1 . . . A 12 PHE HB3 . 25757 1 85 . 1 1 14 14 PHE HD1 H 1 7.144 0.014 . 1 . . . A 12 PHE HD1 . 25757 1 86 . 1 1 14 14 PHE HD2 H 1 7.144 0.014 . 1 . . . A 12 PHE HD2 . 25757 1 87 . 1 1 14 14 PHE HE1 H 1 6.722 0.007 . 1 . . . A 12 PHE HE1 . 25757 1 88 . 1 1 14 14 PHE HE2 H 1 6.722 0.007 . 1 . . . A 12 PHE HE2 . 25757 1 89 . 1 1 14 14 PHE C C 13 179.000 0.042 . 1 . . . A 12 PHE C . 25757 1 90 . 1 1 14 14 PHE CA C 13 60.164 0.000 . 1 . . . A 12 PHE CA . 25757 1 91 . 1 1 14 14 PHE CB C 13 38.110 0.000 . 1 . . . A 12 PHE CB . 25757 1 92 . 1 1 14 14 PHE CD1 C 13 130.628 0.000 . 1 . . . A 12 PHE CD1 . 25757 1 93 . 1 1 14 14 PHE CD2 C 13 130.628 0.000 . 1 . . . A 12 PHE CD2 . 25757 1 94 . 1 1 14 14 PHE CE1 C 13 131.775 0.025 . 1 . . . A 12 PHE CE1 . 25757 1 95 . 1 1 14 14 PHE CE2 C 13 131.775 0.025 . 1 . . . A 12 PHE CE2 . 25757 1 96 . 1 1 14 14 PHE N N 15 118.509 0.000 . 1 . . . A 12 PHE N . 25757 1 97 . 1 1 15 15 LYS H H 1 9.171 0.012 . 1 . . . A 13 LYS H . 25757 1 98 . 1 1 15 15 LYS HA H 1 4.026 0.016 . 1 . . . A 13 LYS HA . 25757 1 99 . 1 1 15 15 LYS HB3 H 1 1.879 0.017 . 1 . . . A 13 LYS HB3 . 25757 1 100 . 1 1 15 15 LYS HG3 H 1 1.173 0.014 . 1 . . . A 13 LYS HG3 . 25757 1 101 . 1 1 15 15 LYS HD3 H 1 0.954 0.012 . 1 . . . A 13 LYS HD3 . 25757 1 102 . 1 1 15 15 LYS HE3 H 1 2.472 0.000 . 1 . . . A 13 LYS HE3 . 25757 1 103 . 1 1 15 15 LYS C C 13 179.260 0.010 . 1 . . . A 13 LYS C . 25757 1 104 . 1 1 15 15 LYS CA C 13 60.164 0.000 . 1 . . . A 13 LYS CA . 25757 1 105 . 1 1 15 15 LYS CB C 13 31.833 0.083 . 1 . . . A 13 LYS CB . 25757 1 106 . 1 1 15 15 LYS N N 15 123.523 0.000 . 1 . . . A 13 LYS N . 25757 1 107 . 1 1 16 16 GLU H H 1 7.822 0.012 . 1 . . . A 14 GLU H . 25757 1 108 . 1 1 16 16 GLU HA H 1 4.095 0.001 . 1 . . . A 14 GLU HA . 25757 1 109 . 1 1 16 16 GLU HB3 H 1 2.184 0.000 . 1 . . . A 14 GLU HB3 . 25757 1 110 . 1 1 16 16 GLU HG3 H 1 2.436 0.000 . 1 . . . A 14 GLU HG3 . 25757 1 111 . 1 1 16 16 GLU C C 13 179.851 0.000 . 1 . . . A 14 GLU C . 25757 1 112 . 1 1 16 16 GLU CA C 13 59.586 0.083 . 1 . . . A 14 GLU CA . 25757 1 113 . 1 1 16 16 GLU CB C 13 29.561 0.041 . 1 . . . A 14 GLU CB . 25757 1 114 . 1 1 16 16 GLU N N 15 120.415 0.000 . 1 . . . A 14 GLU N . 25757 1 115 . 1 1 17 17 ALA H H 1 8.244 0.011 . 1 . . . A 15 ALA H . 25757 1 116 . 1 1 17 17 ALA HA H 1 4.130 0.018 . 1 . . . A 15 ALA HA . 25757 1 117 . 1 1 17 17 ALA HB1 H 1 1.886 0.015 . 1 . . . A 15 ALA HB1 . 25757 1 118 . 1 1 17 17 ALA HB2 H 1 1.886 0.015 . 1 . . . A 15 ALA HB2 . 25757 1 119 . 1 1 17 17 ALA HB3 H 1 1.886 0.015 . 1 . . . A 15 ALA HB3 . 25757 1 120 . 1 1 17 17 ALA C C 13 178.222 0.010 . 1 . . . A 15 ALA C . 25757 1 121 . 1 1 17 17 ALA CA C 13 55.190 0.131 . 1 . . . A 15 ALA CA . 25757 1 122 . 1 1 17 17 ALA CB C 13 18.502 0.083 . 1 . . . A 15 ALA CB . 25757 1 123 . 1 1 17 17 ALA N N 15 122.143 0.130 . 1 . . . A 15 ALA N . 25757 1 124 . 1 1 18 18 PHE H H 1 8.891 0.011 . 1 . . . A 16 PHE H . 25757 1 125 . 1 1 18 18 PHE HA H 1 4.012 0.021 . 1 . . . A 16 PHE HA . 25757 1 126 . 1 1 18 18 PHE HB2 H 1 3.188 0.018 . 2 . . . A 16 PHE HB3 . 25757 1 127 . 1 1 18 18 PHE HB3 H 1 2.935 0.027 . 2 . . . A 16 PHE HB3 . 25757 1 128 . 1 1 18 18 PHE HD1 H 1 6.591 0.008 . 1 . . . A 16 PHE HD1 . 25757 1 129 . 1 1 18 18 PHE HD2 H 1 6.591 0.008 . 1 . . . A 16 PHE HD2 . 25757 1 130 . 1 1 18 18 PHE HE1 H 1 6.904 0.008 . 1 . . . A 16 PHE HE1 . 25757 1 131 . 1 1 18 18 PHE HE2 H 1 6.904 0.008 . 1 . . . A 16 PHE HE2 . 25757 1 132 . 1 1 18 18 PHE C C 13 177.444 0.000 . 1 . . . A 16 PHE C . 25757 1 133 . 1 1 18 18 PHE CA C 13 62.064 0.083 . 1 . . . A 16 PHE CA . 25757 1 134 . 1 1 18 18 PHE CB C 13 39.432 0.000 . 1 . . . A 16 PHE CB . 25757 1 135 . 1 1 18 18 PHE CD1 C 13 131.927 0.170 . 1 . . . A 16 PHE CD1 . 25757 1 136 . 1 1 18 18 PHE CD2 C 13 131.927 0.170 . 1 . . . A 16 PHE CD2 . 25757 1 137 . 1 1 18 18 PHE CE1 C 13 132.044 0.165 . 1 . . . A 16 PHE CE1 . 25757 1 138 . 1 1 18 18 PHE CE2 C 13 132.044 0.165 . 1 . . . A 16 PHE CE2 . 25757 1 139 . 1 1 18 18 PHE N N 15 119.809 0.142 . 1 . . . A 16 PHE N . 25757 1 140 . 1 1 19 19 SER H H 1 7.910 0.015 . 1 . . . A 17 SER H . 25757 1 141 . 1 1 19 19 SER HA H 1 4.034 0.027 . 1 . . . A 17 SER HA . 25757 1 142 . 1 1 19 19 SER C C 13 174.675 0.000 . 1 . . . A 17 SER C . 25757 1 143 . 1 1 19 19 SER CA C 13 61.507 0.085 . 1 . . . A 17 SER CA . 25757 1 144 . 1 1 19 19 SER CB C 13 63.414 0.111 . 1 . . . A 17 SER CB . 25757 1 145 . 1 1 19 19 SER N N 15 112.631 0.000 . 1 . . . A 17 SER N . 25757 1 146 . 1 1 20 20 LEU H H 1 7.423 0.010 . 1 . . . A 18 LEU H . 25757 1 147 . 1 1 20 20 LEU HA H 1 4.012 0.014 . 1 . . . A 18 LEU HA . 25757 1 148 . 1 1 20 20 LEU HB2 H 1 1.843 0.016 . 2 . . . A 18 LEU HB3 . 25757 1 149 . 1 1 20 20 LEU HB3 H 1 1.617 0.025 . 2 . . . A 18 LEU HB3 . 25757 1 150 . 1 1 20 20 LEU HD11 H 1 0.661 0.008 . 2 . . . A 18 LEU HD11 . 25757 1 151 . 1 1 20 20 LEU HD12 H 1 0.661 0.008 . 2 . . . A 18 LEU HD12 . 25757 1 152 . 1 1 20 20 LEU HD13 H 1 0.661 0.008 . 2 . . . A 18 LEU HD13 . 25757 1 153 . 1 1 20 20 LEU HD21 H 1 0.794 0.011 . 2 . . . A 18 LEU HD21 . 25757 1 154 . 1 1 20 20 LEU HD22 H 1 0.794 0.011 . 2 . . . A 18 LEU HD22 . 25757 1 155 . 1 1 20 20 LEU HD23 H 1 0.794 0.011 . 2 . . . A 18 LEU HD23 . 25757 1 156 . 1 1 20 20 LEU C C 13 177.366 0.008 . 1 . . . A 18 LEU C . 25757 1 157 . 1 1 20 20 LEU CA C 13 57.386 0.078 . 1 . . . A 18 LEU CA . 25757 1 158 . 1 1 20 20 LEU CB C 13 41.595 0.071 . 1 . . . A 18 LEU CB . 25757 1 159 . 1 1 20 20 LEU CD1 C 13 25.239 0.022 . 2 . . . A 18 LEU CD1 . 25757 1 160 . 1 1 20 20 LEU CD2 C 13 25.260 0.061 . 2 . . . A 18 LEU CD2 . 25757 1 161 . 1 1 20 20 LEU N N 15 120.614 0.056 . 1 . . . A 18 LEU N . 25757 1 162 . 1 1 21 21 PHE H H 1 7.254 0.005 . 1 . . . A 19 PHE H . 25757 1 163 . 1 1 21 21 PHE C C 13 176.961 0.000 . 1 . . . A 19 PHE C . 25757 1 164 . 1 1 21 21 PHE CA C 13 59.484 0.000 . 1 . . . A 19 PHE CA . 25757 1 165 . 1 1 21 21 PHE CB C 13 40.769 0.000 . 1 . . . A 19 PHE CB . 25757 1 166 . 1 1 21 21 PHE N N 15 114.602 0.050 . 1 . . . A 19 PHE N . 25757 1 167 . 1 1 24 24 ASP HA H 1 4.575 0.000 . 1 . . . A 22 ASP HA . 25757 1 168 . 1 1 24 24 ASP HB2 H 1 3.037 0.000 . 2 . . . A 22 ASP HB3 . 25757 1 169 . 1 1 24 24 ASP HB3 H 1 2.611 0.005 . 2 . . . A 22 ASP HB3 . 25757 1 170 . 1 1 24 24 ASP CA C 13 52.648 0.000 . 1 . . . A 22 ASP CA . 25757 1 171 . 1 1 24 24 ASP CB C 13 40.010 0.000 . 1 . . . A 22 ASP CB . 25757 1 172 . 1 1 25 25 GLY H H 1 7.555 0.003 . 1 . . . A 23 GLY H . 25757 1 173 . 1 1 25 25 GLY HA2 H 1 3.824 0.008 . 1 . . . A 23 GLY HA2 . 25757 1 174 . 1 1 25 25 GLY C C 13 175.188 0.000 . 1 . . . A 23 GLY C . 25757 1 175 . 1 1 25 25 GLY CA C 13 47.403 0.000 . 1 . . . A 23 GLY CA . 25757 1 176 . 1 1 25 25 GLY N N 15 108.244 0.000 . 1 . . . A 23 GLY N . 25757 1 177 . 1 1 26 26 ASP H H 1 8.397 0.016 . 1 . . . A 24 ASP H . 25757 1 178 . 1 1 26 26 ASP HA H 1 4.469 0.010 . 1 . . . A 24 ASP HA . 25757 1 179 . 1 1 26 26 ASP HB2 H 1 3.009 0.004 . 2 . . . A 24 ASP HB3 . 25757 1 180 . 1 1 26 26 ASP HB3 H 1 2.413 0.011 . 2 . . . A 24 ASP HB3 . 25757 1 181 . 1 1 26 26 ASP C C 13 177.457 0.000 . 1 . . . A 24 ASP C . 25757 1 182 . 1 1 26 26 ASP CA C 13 53.792 0.056 . 1 . . . A 24 ASP CA . 25757 1 183 . 1 1 26 26 ASP CB C 13 40.516 0.067 . 1 . . . A 24 ASP CB . 25757 1 184 . 1 1 26 26 ASP N N 15 120.667 0.000 . 1 . . . A 24 ASP N . 25757 1 185 . 1 1 27 27 GLY H H 1 10.592 0.010 . 1 . . . A 25 GLY H . 25757 1 186 . 1 1 27 27 GLY HA2 H 1 4.334 0.008 . 2 . . . A 25 GLY HA2 . 25757 1 187 . 1 1 27 27 GLY HA3 H 1 3.688 0.021 . 2 . . . A 25 GLY HA3 . 25757 1 188 . 1 1 27 27 GLY C C 13 173.639 0.008 . 1 . . . A 25 GLY C . 25757 1 189 . 1 1 27 27 GLY CA C 13 45.501 0.053 . 1 . . . A 25 GLY CA . 25757 1 190 . 1 1 27 27 GLY N N 15 112.989 0.045 . 1 . . . A 25 GLY N . 25757 1 191 . 1 1 28 28 THR H H 1 8.121 0.013 . 1 . . . A 26 THR H . 25757 1 192 . 1 1 28 28 THR HA H 1 5.282 0.007 . 1 . . . A 26 THR HA . 25757 1 193 . 1 1 28 28 THR HB H 1 3.799 0.010 . 1 . . . A 26 THR HB . 25757 1 194 . 1 1 28 28 THR HG21 H 1 0.979 0.017 . 1 . . . A 26 THR HG21 . 25757 1 195 . 1 1 28 28 THR HG22 H 1 0.979 0.017 . 1 . . . A 26 THR HG22 . 25757 1 196 . 1 1 28 28 THR HG23 H 1 0.979 0.017 . 1 . . . A 26 THR HG23 . 25757 1 197 . 1 1 28 28 THR C C 13 172.853 0.000 . 1 . . . A 26 THR C . 25757 1 198 . 1 1 28 28 THR CA C 13 59.817 0.070 . 1 . . . A 26 THR CA . 25757 1 199 . 1 1 28 28 THR CB C 13 72.465 0.076 . 1 . . . A 26 THR CB . 25757 1 200 . 1 1 28 28 THR CG2 C 13 21.696 0.200 . 1 . . . A 26 THR CG2 . 25757 1 201 . 1 1 28 28 THR N N 15 112.948 0.050 . 1 . . . A 26 THR N . 25757 1 202 . 1 1 29 29 ILE H H 1 9.867 0.007 . 1 . . . A 27 ILE H . 25757 1 203 . 1 1 29 29 ILE HA H 1 4.913 0.016 . 1 . . . A 27 ILE HA . 25757 1 204 . 1 1 29 29 ILE HB H 1 1.740 0.020 . 1 . . . A 27 ILE HB . 25757 1 205 . 1 1 29 29 ILE HG21 H 1 0.887 0.012 . 1 . . . A 27 ILE HG21 . 25757 1 206 . 1 1 29 29 ILE HG22 H 1 0.887 0.012 . 1 . . . A 27 ILE HG22 . 25757 1 207 . 1 1 29 29 ILE HG23 H 1 0.887 0.012 . 1 . . . A 27 ILE HG23 . 25757 1 208 . 1 1 29 29 ILE HD11 H 1 0.193 0.013 . 1 . . . A 27 ILE HD11 . 25757 1 209 . 1 1 29 29 ILE HD12 H 1 0.193 0.013 . 1 . . . A 27 ILE HD12 . 25757 1 210 . 1 1 29 29 ILE HD13 H 1 0.193 0.013 . 1 . . . A 27 ILE HD13 . 25757 1 211 . 1 1 29 29 ILE C C 13 176.091 0.008 . 1 . . . A 27 ILE C . 25757 1 212 . 1 1 29 29 ILE CA C 13 60.765 0.223 . 1 . . . A 27 ILE CA . 25757 1 213 . 1 1 29 29 ILE CB C 13 39.705 0.096 . 1 . . . A 27 ILE CB . 25757 1 214 . 1 1 29 29 ILE CG1 C 13 26.953 0.152 . 1 . . . A 27 ILE CG1 . 25757 1 215 . 1 1 29 29 ILE CG2 C 13 17.907 0.115 . 1 . . . A 27 ILE CG2 . 25757 1 216 . 1 1 29 29 ILE CD1 C 13 15.891 0.085 . 1 . . . A 27 ILE CD1 . 25757 1 217 . 1 1 29 29 ILE N N 15 127.195 0.049 . 1 . . . A 27 ILE N . 25757 1 218 . 1 1 30 30 THR H H 1 8.457 0.011 . 1 . . . A 28 THR H . 25757 1 219 . 1 1 30 30 THR HA H 1 4.790 0.000 . 1 . . . A 28 THR HA . 25757 1 220 . 1 1 30 30 THR HG21 H 1 1.263 0.008 . 1 . . . A 28 THR HG21 . 25757 1 221 . 1 1 30 30 THR HG22 H 1 1.263 0.008 . 1 . . . A 28 THR HG22 . 25757 1 222 . 1 1 30 30 THR HG23 H 1 1.263 0.008 . 1 . . . A 28 THR HG23 . 25757 1 223 . 1 1 30 30 THR C C 13 176.696 0.000 . 1 . . . A 28 THR C . 25757 1 224 . 1 1 30 30 THR CA C 13 59.590 0.000 . 1 . . . A 28 THR CA . 25757 1 225 . 1 1 30 30 THR CB C 13 72.457 0.000 . 1 . . . A 28 THR CB . 25757 1 226 . 1 1 30 30 THR N N 15 116.655 0.000 . 1 . . . A 28 THR N . 25757 1 227 . 1 1 31 31 THR H H 1 9.211 0.013 . 1 . . . A 29 THR H . 25757 1 228 . 1 1 31 31 THR HA H 1 4.188 0.018 . 1 . . . A 29 THR HA . 25757 1 229 . 1 1 31 31 THR HB H 1 3.782 0.017 . 1 . . . A 29 THR HB . 25757 1 230 . 1 1 31 31 THR HG21 H 1 1.238 0.009 . 1 . . . A 29 THR HG21 . 25757 1 231 . 1 1 31 31 THR HG22 H 1 1.238 0.009 . 1 . . . A 29 THR HG22 . 25757 1 232 . 1 1 31 31 THR HG23 H 1 1.238 0.009 . 1 . . . A 29 THR HG23 . 25757 1 233 . 1 1 31 31 THR C C 13 177.399 0.000 . 1 . . . A 29 THR C . 25757 1 234 . 1 1 31 31 THR CA C 13 66.386 0.097 . 1 . . . A 29 THR CA . 25757 1 235 . 1 1 31 31 THR CB C 13 67.726 0.052 . 1 . . . A 29 THR CB . 25757 1 236 . 1 1 31 31 THR CG2 C 13 23.382 0.095 . 1 . . . A 29 THR CG2 . 25757 1 237 . 1 1 31 31 THR N N 15 111.878 0.054 . 1 . . . A 29 THR N . 25757 1 238 . 1 1 32 32 LYS H H 1 7.580 0.005 . 1 . . . A 30 LYS H . 25757 1 239 . 1 1 32 32 LYS HA H 1 4.077 0.016 . 1 . . . A 30 LYS HA . 25757 1 240 . 1 1 32 32 LYS HB3 H 1 1.794 0.003 . 1 . . . A 30 LYS HB3 . 25757 1 241 . 1 1 32 32 LYS HG3 H 1 1.436 0.010 . 1 . . . A 30 LYS HG3 . 25757 1 242 . 1 1 32 32 LYS HE3 H 1 2.952 0.000 . 1 . . . A 30 LYS HE3 . 25757 1 243 . 1 1 32 32 LYS C C 13 179.793 0.021 . 1 . . . A 30 LYS C . 25757 1 244 . 1 1 32 32 LYS CA C 13 59.292 0.128 . 1 . . . A 30 LYS CA . 25757 1 245 . 1 1 32 32 LYS CB C 13 32.447 0.000 . 1 . . . A 30 LYS CB . 25757 1 246 . 1 1 32 32 LYS CG C 13 25.039 0.000 . 1 . . . A 30 LYS CG . 25757 1 247 . 1 1 32 32 LYS CD C 13 29.301 0.000 . 1 . . . A 30 LYS CD . 25757 1 248 . 1 1 32 32 LYS CE C 13 42.424 0.000 . 1 . . . A 30 LYS CE . 25757 1 249 . 1 1 32 32 LYS N N 15 121.140 0.000 . 1 . . . A 30 LYS N . 25757 1 250 . 1 1 33 33 GLU H H 1 7.708 0.011 . 1 . . . A 31 GLU H . 25757 1 251 . 1 1 33 33 GLU HA H 1 3.994 0.003 . 1 . . . A 31 GLU HA . 25757 1 252 . 1 1 33 33 GLU HB3 H 1 2.620 0.013 . 1 . . . A 31 GLU HB3 . 25757 1 253 . 1 1 33 33 GLU HG3 H 1 2.360 0.019 . 1 . . . A 31 GLU HG3 . 25757 1 254 . 1 1 33 33 GLU C C 13 179.355 0.011 . 1 . . . A 31 GLU C . 25757 1 255 . 1 1 33 33 GLU CA C 13 59.633 0.128 . 1 . . . A 31 GLU CA . 25757 1 256 . 1 1 33 33 GLU CB C 13 29.852 0.043 . 1 . . . A 31 GLU CB . 25757 1 257 . 1 1 33 33 GLU CG C 13 38.722 0.000 . 1 . . . A 31 GLU CG . 25757 1 258 . 1 1 33 33 GLU N N 15 121.865 0.000 . 1 . . . A 31 GLU N . 25757 1 259 . 1 1 34 34 LEU H H 1 8.688 0.010 . 1 . . . A 32 LEU H . 25757 1 260 . 1 1 34 34 LEU HA H 1 4.116 0.007 . 1 . . . A 32 LEU HA . 25757 1 261 . 1 1 34 34 LEU HB2 H 1 1.839 0.012 . 2 . . . A 32 LEU HB3 . 25757 1 262 . 1 1 34 34 LEU HB3 H 1 1.548 0.016 . 2 . . . A 32 LEU HB3 . 25757 1 263 . 1 1 34 34 LEU HD11 H 1 0.776 0.006 . 2 . . . A 32 LEU HD11 . 25757 1 264 . 1 1 34 34 LEU HD12 H 1 0.776 0.006 . 2 . . . A 32 LEU HD12 . 25757 1 265 . 1 1 34 34 LEU HD13 H 1 0.776 0.006 . 2 . . . A 32 LEU HD13 . 25757 1 266 . 1 1 34 34 LEU HD21 H 1 0.830 0.003 . 2 . . . A 32 LEU HD21 . 25757 1 267 . 1 1 34 34 LEU HD22 H 1 0.830 0.003 . 2 . . . A 32 LEU HD22 . 25757 1 268 . 1 1 34 34 LEU HD23 H 1 0.830 0.003 . 2 . . . A 32 LEU HD23 . 25757 1 269 . 1 1 34 34 LEU C C 13 178.885 0.032 . 1 . . . A 32 LEU C . 25757 1 270 . 1 1 34 34 LEU CA C 13 58.361 0.047 . 1 . . . A 32 LEU CA . 25757 1 271 . 1 1 34 34 LEU CB C 13 43.036 0.038 . 1 . . . A 32 LEU CB . 25757 1 272 . 1 1 34 34 LEU CD1 C 13 25.630 0.000 . 2 . . . A 32 LEU CD1 . 25757 1 273 . 1 1 34 34 LEU CD2 C 13 23.745 0.093 . 2 . . . A 32 LEU CD2 . 25757 1 274 . 1 1 34 34 LEU N N 15 120.597 0.000 . 1 . . . A 32 LEU N . 25757 1 275 . 1 1 35 35 GLY H H 1 8.694 0.009 . 1 . . . A 33 GLY H . 25757 1 276 . 1 1 35 35 GLY HA2 H 1 4.417 0.000 . 2 . . . A 33 GLY HA2 . 25757 1 277 . 1 1 35 35 GLY HA3 H 1 4.125 0.016 . 2 . . . A 33 GLY HA3 . 25757 1 278 . 1 1 35 35 GLY C C 13 175.123 0.011 . 1 . . . A 33 GLY C . 25757 1 279 . 1 1 35 35 GLY CA C 13 48.247 0.000 . 1 . . . A 33 GLY CA . 25757 1 280 . 1 1 35 35 GLY N N 15 104.837 0.000 . 1 . . . A 33 GLY N . 25757 1 281 . 1 1 36 36 THR H H 1 7.960 0.019 . 1 . . . A 34 THR H . 25757 1 282 . 1 1 36 36 THR HA H 1 3.899 0.005 . 1 . . . A 34 THR HA . 25757 1 283 . 1 1 36 36 THR HB H 1 4.282 0.003 . 1 . . . A 34 THR HB . 25757 1 284 . 1 1 36 36 THR HG21 H 1 1.220 0.009 . 1 . . . A 34 THR HG21 . 25757 1 285 . 1 1 36 36 THR HG22 H 1 1.220 0.009 . 1 . . . A 34 THR HG22 . 25757 1 286 . 1 1 36 36 THR HG23 H 1 1.220 0.009 . 1 . . . A 34 THR HG23 . 25757 1 287 . 1 1 36 36 THR C C 13 176.951 0.000 . 1 . . . A 34 THR C . 25757 1 288 . 1 1 36 36 THR CA C 13 67.234 0.169 . 1 . . . A 34 THR CA . 25757 1 289 . 1 1 36 36 THR CB C 13 68.863 0.061 . 1 . . . A 34 THR CB . 25757 1 290 . 1 1 36 36 THR CG2 C 13 21.277 0.029 . 1 . . . A 34 THR CG2 . 25757 1 291 . 1 1 36 36 THR N N 15 117.631 0.002 . 1 . . . A 34 THR N . 25757 1 292 . 1 1 37 37 VAL H H 1 7.358 0.013 . 1 . . . A 35 VAL H . 25757 1 293 . 1 1 37 37 VAL HA H 1 3.517 0.022 . 1 . . . A 35 VAL HA . 25757 1 294 . 1 1 37 37 VAL HB H 1 1.832 0.011 . 1 . . . A 35 VAL HB . 25757 1 295 . 1 1 37 37 VAL HG11 H 1 0.333 0.010 . 1 . . . A 35 VAL HG11 . 25757 1 296 . 1 1 37 37 VAL HG12 H 1 0.333 0.010 . 1 . . . A 35 VAL HG12 . 25757 1 297 . 1 1 37 37 VAL HG13 H 1 0.333 0.010 . 1 . . . A 35 VAL HG13 . 25757 1 298 . 1 1 37 37 VAL C C 13 178.265 0.011 . 1 . . . A 35 VAL C . 25757 1 299 . 1 1 37 37 VAL CA C 13 66.675 0.014 . 1 . . . A 35 VAL CA . 25757 1 300 . 1 1 37 37 VAL CB C 13 31.293 0.115 . 1 . . . A 35 VAL CB . 25757 1 301 . 1 1 37 37 VAL CG1 C 13 22.694 0.087 . 1 . . . A 35 VAL CG1 . 25757 1 302 . 1 1 37 37 VAL N N 15 121.659 0.000 . 1 . . . A 35 VAL N . 25757 1 303 . 1 1 38 38 MET H H 1 8.194 0.009 . 1 . . . A 36 MET H . 25757 1 304 . 1 1 38 38 MET HE1 H 1 1.960 0.004 . 1 . . . A 36 MET HE1 . 25757 1 305 . 1 1 38 38 MET HE2 H 1 1.960 0.004 . 1 . . . A 36 MET HE2 . 25757 1 306 . 1 1 38 38 MET HE3 H 1 1.960 0.004 . 1 . . . A 36 MET HE3 . 25757 1 307 . 1 1 38 38 MET C C 13 179.088 0.000 . 1 . . . A 36 MET C . 25757 1 308 . 1 1 38 38 MET CA C 13 60.477 0.000 . 1 . . . A 36 MET CA . 25757 1 309 . 1 1 38 38 MET CB C 13 32.443 0.000 . 1 . . . A 36 MET CB . 25757 1 310 . 1 1 38 38 MET CE C 13 17.519 0.012 . 1 . . . A 36 MET CE . 25757 1 311 . 1 1 38 38 MET N N 15 117.456 0.000 . 1 . . . A 36 MET N . 25757 1 312 . 1 1 39 39 ARG CA C 13 59.147 0.000 . 1 . . . A 37 ARG CA . 25757 1 313 . 1 1 39 39 ARG CB C 13 30.350 0.000 . 1 . . . A 37 ARG CB . 25757 1 314 . 1 1 40 40 SER HA H 1 4.085 0.010 . 1 . . . A 38 SER HA . 25757 1 315 . 1 1 40 40 SER HB3 H 1 3.768 0.011 . 1 . . . A 38 SER HB3 . 25757 1 316 . 1 1 40 40 SER C C 13 173.788 0.000 . 1 . . . A 38 SER C . 25757 1 317 . 1 1 40 40 SER CA C 13 61.617 0.034 . 1 . . . A 38 SER CA . 25757 1 318 . 1 1 40 40 SER CB C 13 62.943 0.030 . 1 . . . A 38 SER CB . 25757 1 319 . 1 1 41 41 LEU H H 1 7.230 0.012 . 1 . . . A 39 LEU H . 25757 1 320 . 1 1 41 41 LEU HA H 1 4.494 0.008 . 1 . . . A 39 LEU HA . 25757 1 321 . 1 1 41 41 LEU HB2 H 1 1.897 0.021 . 2 . . . A 39 LEU HB3 . 25757 1 322 . 1 1 41 41 LEU HB3 H 1 1.733 0.016 . 2 . . . A 39 LEU HB3 . 25757 1 323 . 1 1 41 41 LEU HD11 H 1 0.742 0.008 . 2 . . . A 39 LEU HD11 . 25757 1 324 . 1 1 41 41 LEU HD12 H 1 0.742 0.008 . 2 . . . A 39 LEU HD12 . 25757 1 325 . 1 1 41 41 LEU HD13 H 1 0.742 0.008 . 2 . . . A 39 LEU HD13 . 25757 1 326 . 1 1 41 41 LEU HD21 H 1 0.831 0.008 . 2 . . . A 39 LEU HD21 . 25757 1 327 . 1 1 41 41 LEU HD22 H 1 0.831 0.008 . 2 . . . A 39 LEU HD22 . 25757 1 328 . 1 1 41 41 LEU HD23 H 1 0.831 0.008 . 2 . . . A 39 LEU HD23 . 25757 1 329 . 1 1 41 41 LEU C C 13 176.470 0.011 . 1 . . . A 39 LEU C . 25757 1 330 . 1 1 41 41 LEU CA C 13 53.679 0.054 . 1 . . . A 39 LEU CA . 25757 1 331 . 1 1 41 41 LEU CB C 13 41.514 0.083 . 1 . . . A 39 LEU CB . 25757 1 332 . 1 1 41 41 LEU CD1 C 13 26.385 0.078 . 2 . . . A 39 LEU CD1 . 25757 1 333 . 1 1 41 41 LEU CD2 C 13 22.755 0.085 . 2 . . . A 39 LEU CD2 . 25757 1 334 . 1 1 41 41 LEU N N 15 119.003 0.000 . 1 . . . A 39 LEU N . 25757 1 335 . 1 1 42 42 GLY H H 1 7.698 0.010 . 1 . . . A 40 GLY H . 25757 1 336 . 1 1 42 42 GLY HA2 H 1 4.124 0.008 . 2 . . . A 40 GLY HA2 . 25757 1 337 . 1 1 42 42 GLY HA3 H 1 3.729 0.011 . 2 . . . A 40 GLY HA3 . 25757 1 338 . 1 1 42 42 GLY C C 13 174.322 0.021 . 1 . . . A 40 GLY C . 25757 1 339 . 1 1 42 42 GLY CA C 13 46.215 0.010 . 1 . . . A 40 GLY CA . 25757 1 340 . 1 1 42 42 GLY N N 15 105.026 0.066 . 1 . . . A 40 GLY N . 25757 1 341 . 1 1 43 43 GLN H H 1 7.866 0.012 . 1 . . . A 41 GLN H . 25757 1 342 . 1 1 43 43 GLN C C 13 174.557 0.000 . 1 . . . A 41 GLN C . 25757 1 343 . 1 1 43 43 GLN CB C 13 30.844 0.000 . 1 . . . A 41 GLN CB . 25757 1 344 . 1 1 43 43 GLN N N 15 117.929 0.000 . 1 . . . A 41 GLN N . 25757 1 345 . 1 1 45 45 PRO HA H 1 4.736 0.016 . 1 . . . A 43 PRO HA . 25757 1 346 . 1 1 45 45 PRO HB3 H 1 2.173 0.000 . 1 . . . A 43 PRO HB3 . 25757 1 347 . 1 1 45 45 PRO HG3 H 1 1.958 0.000 . 1 . . . A 43 PRO HG3 . 25757 1 348 . 1 1 45 45 PRO HD3 H 1 3.645 0.000 . 1 . . . A 43 PRO HD3 . 25757 1 349 . 1 1 45 45 PRO C C 13 177.805 0.000 . 1 . . . A 43 PRO C . 25757 1 350 . 1 1 45 45 PRO CA C 13 62.505 0.000 . 1 . . . A 43 PRO CA . 25757 1 351 . 1 1 45 45 PRO CB C 13 32.162 0.000 . 1 . . . A 43 PRO CB . 25757 1 352 . 1 1 45 45 PRO CG C 13 27.506 0.000 . 1 . . . A 43 PRO CG . 25757 1 353 . 1 1 46 46 THR H H 1 8.798 0.004 . 1 . . . A 44 THR H . 25757 1 354 . 1 1 46 46 THR HA H 1 4.684 0.018 . 1 . . . A 44 THR HA . 25757 1 355 . 1 1 46 46 THR HB H 1 4.441 0.001 . 1 . . . A 44 THR HB . 25757 1 356 . 1 1 46 46 THR HG21 H 1 1.318 0.008 . 1 . . . A 44 THR HG21 . 25757 1 357 . 1 1 46 46 THR HG22 H 1 1.318 0.008 . 1 . . . A 44 THR HG22 . 25757 1 358 . 1 1 46 46 THR HG23 H 1 1.318 0.008 . 1 . . . A 44 THR HG23 . 25757 1 359 . 1 1 46 46 THR C C 13 175.139 0.017 . 1 . . . A 44 THR C . 25757 1 360 . 1 1 46 46 THR CA C 13 60.556 0.070 . 1 . . . A 44 THR CA . 25757 1 361 . 1 1 46 46 THR CB C 13 71.064 0.070 . 1 . . . A 44 THR CB . 25757 1 362 . 1 1 46 46 THR N N 15 113.167 0.000 . 1 . . . A 44 THR N . 25757 1 363 . 1 1 47 47 GLU H H 1 8.812 0.007 . 1 . . . A 45 GLU H . 25757 1 364 . 1 1 47 47 GLU HA H 1 3.991 0.019 . 1 . . . A 45 GLU HA . 25757 1 365 . 1 1 47 47 GLU HB3 H 1 2.002 0.017 . 1 . . . A 45 GLU HB3 . 25757 1 366 . 1 1 47 47 GLU HG3 H 1 2.303 0.009 . 1 . . . A 45 GLU HG3 . 25757 1 367 . 1 1 47 47 GLU C C 13 178.940 0.008 . 1 . . . A 45 GLU C . 25757 1 368 . 1 1 47 47 GLU CA C 13 59.901 0.180 . 1 . . . A 45 GLU CA . 25757 1 369 . 1 1 47 47 GLU CB C 13 29.029 0.003 . 1 . . . A 45 GLU CB . 25757 1 370 . 1 1 47 47 GLU CG C 13 36.114 0.000 . 1 . . . A 45 GLU CG . 25757 1 371 . 1 1 47 47 GLU N N 15 120.673 0.000 . 1 . . . A 45 GLU N . 25757 1 372 . 1 1 48 48 ALA H H 1 8.276 0.014 . 1 . . . A 46 ALA H . 25757 1 373 . 1 1 48 48 ALA HA H 1 3.967 0.021 . 1 . . . A 46 ALA HA . 25757 1 374 . 1 1 48 48 ALA HB1 H 1 1.340 0.013 . 1 . . . A 46 ALA HB1 . 25757 1 375 . 1 1 48 48 ALA HB2 H 1 1.340 0.013 . 1 . . . A 46 ALA HB2 . 25757 1 376 . 1 1 48 48 ALA HB3 H 1 1.340 0.013 . 1 . . . A 46 ALA HB3 . 25757 1 377 . 1 1 48 48 ALA C C 13 180.290 0.000 . 1 . . . A 46 ALA C . 25757 1 378 . 1 1 48 48 ALA CA C 13 54.919 0.000 . 1 . . . A 46 ALA CA . 25757 1 379 . 1 1 48 48 ALA CB C 13 18.161 0.213 . 1 . . . A 46 ALA CB . 25757 1 380 . 1 1 48 48 ALA N N 15 120.576 0.000 . 1 . . . A 46 ALA N . 25757 1 381 . 1 1 49 49 GLU H H 1 7.425 0.004 . 1 . . . A 47 GLU H . 25757 1 382 . 1 1 49 49 GLU HA H 1 4.000 0.000 . 1 . . . A 47 GLU HA . 25757 1 383 . 1 1 49 49 GLU HB3 H 1 1.872 0.000 . 1 . . . A 47 GLU HB3 . 25757 1 384 . 1 1 49 49 GLU HG3 H 1 2.334 0.000 . 1 . . . A 47 GLU HG3 . 25757 1 385 . 1 1 49 49 GLU C C 13 180.224 0.000 . 1 . . . A 47 GLU C . 25757 1 386 . 1 1 49 49 GLU CA C 13 58.931 0.141 . 1 . . . A 47 GLU CA . 25757 1 387 . 1 1 49 49 GLU CB C 13 29.989 0.192 . 1 . . . A 47 GLU CB . 25757 1 388 . 1 1 49 49 GLU CG C 13 34.427 0.000 . 1 . . . A 47 GLU CG . 25757 1 389 . 1 1 49 49 GLU N N 15 116.104 0.003 . 1 . . . A 47 GLU N . 25757 1 390 . 1 1 50 50 LEU H H 1 8.121 0.013 . 1 . . . A 48 LEU H . 25757 1 391 . 1 1 50 50 LEU HA H 1 4.050 0.007 . 1 . . . A 48 LEU HA . 25757 1 392 . 1 1 50 50 LEU HB2 H 1 2.079 0.013 . 2 . . . A 48 LEU HB3 . 25757 1 393 . 1 1 50 50 LEU HB3 H 1 1.727 0.005 . 2 . . . A 48 LEU HB3 . 25757 1 394 . 1 1 50 50 LEU HD11 H 1 0.822 0.011 . 2 . . . A 48 LEU HD11 . 25757 1 395 . 1 1 50 50 LEU HD12 H 1 0.822 0.011 . 2 . . . A 48 LEU HD12 . 25757 1 396 . 1 1 50 50 LEU HD13 H 1 0.822 0.011 . 2 . . . A 48 LEU HD13 . 25757 1 397 . 1 1 50 50 LEU HD21 H 1 0.836 0.019 . 2 . . . A 48 LEU HD21 . 25757 1 398 . 1 1 50 50 LEU HD22 H 1 0.836 0.019 . 2 . . . A 48 LEU HD22 . 25757 1 399 . 1 1 50 50 LEU HD23 H 1 0.836 0.019 . 2 . . . A 48 LEU HD23 . 25757 1 400 . 1 1 50 50 LEU C C 13 178.551 0.000 . 1 . . . A 48 LEU C . 25757 1 401 . 1 1 50 50 LEU CA C 13 57.839 0.114 . 1 . . . A 48 LEU CA . 25757 1 402 . 1 1 50 50 LEU CB C 13 42.569 0.073 . 1 . . . A 48 LEU CB . 25757 1 403 . 1 1 50 50 LEU CD1 C 13 26.255 0.176 . 2 . . . A 48 LEU CD1 . 25757 1 404 . 1 1 50 50 LEU CD2 C 13 23.838 0.000 . 2 . . . A 48 LEU CD2 . 25757 1 405 . 1 1 50 50 LEU N N 15 120.425 0.000 . 1 . . . A 48 LEU N . 25757 1 406 . 1 1 51 51 GLN H H 1 8.302 0.011 . 1 . . . A 49 GLN H . 25757 1 407 . 1 1 51 51 GLN HA H 1 3.762 0.013 . 1 . . . A 49 GLN HA . 25757 1 408 . 1 1 51 51 GLN HB3 H 1 2.152 0.000 . 1 . . . A 49 GLN HB3 . 25757 1 409 . 1 1 51 51 GLN HG3 H 1 2.431 0.000 . 1 . . . A 49 GLN HG3 . 25757 1 410 . 1 1 51 51 GLN C C 13 178.567 0.000 . 1 . . . A 49 GLN C . 25757 1 411 . 1 1 51 51 GLN CA C 13 58.863 0.143 . 1 . . . A 49 GLN CA . 25757 1 412 . 1 1 51 51 GLN CB C 13 28.242 0.087 . 1 . . . A 49 GLN CB . 25757 1 413 . 1 1 51 51 GLN N N 15 118.372 0.000 . 1 . . . A 49 GLN N . 25757 1 414 . 1 1 52 52 ASP H H 1 8.150 0.004 . 1 . . . A 50 ASP H . 25757 1 415 . 1 1 52 52 ASP HA H 1 4.360 0.005 . 1 . . . A 50 ASP HA . 25757 1 416 . 1 1 52 52 ASP HB2 H 1 2.774 0.012 . 2 . . . A 50 ASP HB3 . 25757 1 417 . 1 1 52 52 ASP HB3 H 1 2.657 0.000 . 2 . . . A 50 ASP HB3 . 25757 1 418 . 1 1 52 52 ASP C C 13 178.600 0.000 . 1 . . . A 50 ASP C . 25757 1 419 . 1 1 52 52 ASP CA C 13 57.703 0.114 . 1 . . . A 50 ASP CA . 25757 1 420 . 1 1 52 52 ASP CB C 13 40.467 0.118 . 1 . . . A 50 ASP CB . 25757 1 421 . 1 1 52 52 ASP N N 15 119.992 0.000 . 1 . . . A 50 ASP N . 25757 1 422 . 1 1 53 53 MET H H 1 7.844 0.008 . 1 . . . A 51 MET H . 25757 1 423 . 1 1 53 53 MET HA H 1 3.981 0.008 . 1 . . . A 51 MET HA . 25757 1 424 . 1 1 53 53 MET HE1 H 1 1.802 0.003 . 1 . . . A 51 MET HE1 . 25757 1 425 . 1 1 53 53 MET HE2 H 1 1.802 0.003 . 1 . . . A 51 MET HE2 . 25757 1 426 . 1 1 53 53 MET HE3 H 1 1.802 0.003 . 1 . . . A 51 MET HE3 . 25757 1 427 . 1 1 53 53 MET C C 13 179.006 0.008 . 1 . . . A 51 MET C . 25757 1 428 . 1 1 53 53 MET CA C 13 59.443 0.070 . 1 . . . A 51 MET CA . 25757 1 429 . 1 1 53 53 MET CB C 13 33.380 0.035 . 1 . . . A 51 MET CB . 25757 1 430 . 1 1 53 53 MET CE C 13 18.078 0.095 . 1 . . . A 51 MET CE . 25757 1 431 . 1 1 53 53 MET N N 15 119.238 0.000 . 1 . . . A 51 MET N . 25757 1 432 . 1 1 54 54 ILE H H 1 7.686 0.007 . 1 . . . A 52 ILE H . 25757 1 433 . 1 1 54 54 ILE HA H 1 3.478 0.014 . 1 . . . A 52 ILE HA . 25757 1 434 . 1 1 54 54 ILE HB H 1 1.901 0.018 . 1 . . . A 52 ILE HB . 25757 1 435 . 1 1 54 54 ILE HG12 H 1 0.985 0.015 . 2 . . . A 52 ILE HG13 . 25757 1 436 . 1 1 54 54 ILE HG13 H 1 1.648 0.017 . 2 . . . A 52 ILE HG13 . 25757 1 437 . 1 1 54 54 ILE HG21 H 1 0.620 0.015 . 1 . . . A 52 ILE HG21 . 25757 1 438 . 1 1 54 54 ILE HG22 H 1 0.620 0.015 . 1 . . . A 52 ILE HG22 . 25757 1 439 . 1 1 54 54 ILE HG23 H 1 0.620 0.015 . 1 . . . A 52 ILE HG23 . 25757 1 440 . 1 1 54 54 ILE HD11 H 1 0.696 0.012 . 1 . . . A 52 ILE HD11 . 25757 1 441 . 1 1 54 54 ILE HD12 H 1 0.696 0.012 . 1 . . . A 52 ILE HD12 . 25757 1 442 . 1 1 54 54 ILE HD13 H 1 0.696 0.012 . 1 . . . A 52 ILE HD13 . 25757 1 443 . 1 1 54 54 ILE C C 13 177.847 0.008 . 1 . . . A 52 ILE C . 25757 1 444 . 1 1 54 54 ILE CA C 13 64.995 0.175 . 1 . . . A 52 ILE CA . 25757 1 445 . 1 1 54 54 ILE CB C 13 37.123 0.111 . 1 . . . A 52 ILE CB . 25757 1 446 . 1 1 54 54 ILE CG1 C 13 29.147 0.135 . 1 . . . A 52 ILE CG1 . 25757 1 447 . 1 1 54 54 ILE CG2 C 13 15.956 0.059 . 1 . . . A 52 ILE CG2 . 25757 1 448 . 1 1 54 54 ILE CD1 C 13 13.127 0.062 . 1 . . . A 52 ILE CD1 . 25757 1 449 . 1 1 54 54 ILE N N 15 118.161 0.000 . 1 . . . A 52 ILE N . 25757 1 450 . 1 1 55 55 ASN H H 1 8.713 0.005 . 1 . . . A 53 ASN H . 25757 1 451 . 1 1 55 55 ASN HA H 1 4.365 0.011 . 1 . . . A 53 ASN HA . 25757 1 452 . 1 1 55 55 ASN HB2 H 1 2.990 0.000 . 2 . . . A 53 ASN HB3 . 25757 1 453 . 1 1 55 55 ASN HB3 H 1 2.829 0.000 . 2 . . . A 53 ASN HB3 . 25757 1 454 . 1 1 55 55 ASN C C 13 177.515 0.058 . 1 . . . A 53 ASN C . 25757 1 455 . 1 1 55 55 ASN CA C 13 56.207 0.104 . 1 . . . A 53 ASN CA . 25757 1 456 . 1 1 55 55 ASN CB C 13 38.078 0.000 . 1 . . . A 53 ASN CB . 25757 1 457 . 1 1 55 55 ASN N N 15 117.884 0.013 . 1 . . . A 53 ASN N . 25757 1 458 . 1 1 56 56 GLU H H 1 7.530 0.007 . 1 . . . A 54 GLU H . 25757 1 459 . 1 1 56 56 GLU HA H 1 3.989 0.020 . 1 . . . A 54 GLU HA . 25757 1 460 . 1 1 56 56 GLU HB2 H 1 2.216 0.000 . 2 . . . A 54 GLU HB3 . 25757 1 461 . 1 1 56 56 GLU HB3 H 1 2.046 0.023 . 2 . . . A 54 GLU HB3 . 25757 1 462 . 1 1 56 56 GLU HG3 H 1 2.443 0.010 . 1 . . . A 54 GLU HG3 . 25757 1 463 . 1 1 56 56 GLU C C 13 177.557 0.000 . 1 . . . A 54 GLU C . 25757 1 464 . 1 1 56 56 GLU CA C 13 58.990 0.035 . 1 . . . A 54 GLU CA . 25757 1 465 . 1 1 56 56 GLU CB C 13 30.463 0.041 . 1 . . . A 54 GLU CB . 25757 1 466 . 1 1 56 56 GLU CG C 13 36.563 0.000 . 1 . . . A 54 GLU CG . 25757 1 467 . 1 1 56 56 GLU N N 15 116.178 0.000 . 1 . . . A 54 GLU N . 25757 1 468 . 1 1 57 57 VAL H H 1 7.175 0.013 . 1 . . . A 55 VAL H . 25757 1 469 . 1 1 57 57 VAL HA H 1 4.522 0.006 . 1 . . . A 55 VAL HA . 25757 1 470 . 1 1 57 57 VAL HB H 1 2.443 0.007 . 1 . . . A 55 VAL HB . 25757 1 471 . 1 1 57 57 VAL HG11 H 1 0.855 0.012 . 2 . . . A 55 VAL HG11 . 25757 1 472 . 1 1 57 57 VAL HG12 H 1 0.855 0.012 . 2 . . . A 55 VAL HG12 . 25757 1 473 . 1 1 57 57 VAL HG13 H 1 0.855 0.012 . 2 . . . A 55 VAL HG13 . 25757 1 474 . 1 1 57 57 VAL HG21 H 1 0.749 0.014 . 2 . . . A 55 VAL HG21 . 25757 1 475 . 1 1 57 57 VAL HG22 H 1 0.749 0.014 . 2 . . . A 55 VAL HG22 . 25757 1 476 . 1 1 57 57 VAL HG23 H 1 0.749 0.014 . 2 . . . A 55 VAL HG23 . 25757 1 477 . 1 1 57 57 VAL C C 13 175.602 0.000 . 1 . . . A 55 VAL C . 25757 1 478 . 1 1 57 57 VAL CA C 13 60.352 0.137 . 1 . . . A 55 VAL CA . 25757 1 479 . 1 1 57 57 VAL CB C 13 32.603 0.041 . 1 . . . A 55 VAL CB . 25757 1 480 . 1 1 57 57 VAL CG1 C 13 18.934 0.051 . 2 . . . A 55 VAL CG1 . 25757 1 481 . 1 1 57 57 VAL CG2 C 13 21.792 0.103 . 2 . . . A 55 VAL CG2 . 25757 1 482 . 1 1 57 57 VAL N N 15 107.164 0.000 . 1 . . . A 55 VAL N . 25757 1 483 . 1 1 58 58 ASP H H 1 7.569 0.007 . 1 . . . A 56 ASP H . 25757 1 484 . 1 1 58 58 ASP HA H 1 4.599 0.014 . 1 . . . A 56 ASP HA . 25757 1 485 . 1 1 58 58 ASP HB2 H 1 2.732 0.000 . 2 . . . A 56 ASP HB3 . 25757 1 486 . 1 1 58 58 ASP HB3 H 1 2.612 0.021 . 2 . . . A 56 ASP HB3 . 25757 1 487 . 1 1 58 58 ASP C C 13 176.182 0.000 . 1 . . . A 56 ASP C . 25757 1 488 . 1 1 58 58 ASP CA C 13 53.806 0.070 . 1 . . . A 56 ASP CA . 25757 1 489 . 1 1 58 58 ASP CB C 13 40.270 0.035 . 1 . . . A 56 ASP CB . 25757 1 490 . 1 1 58 58 ASP N N 15 122.126 0.000 . 1 . . . A 56 ASP N . 25757 1 491 . 1 1 59 59 ALA H H 1 8.515 0.009 . 1 . . . A 57 ALA H . 25757 1 492 . 1 1 59 59 ALA HA H 1 4.180 0.017 . 1 . . . A 57 ALA HA . 25757 1 493 . 1 1 59 59 ALA HB1 H 1 1.485 0.016 . 1 . . . A 57 ALA HB1 . 25757 1 494 . 1 1 59 59 ALA HB2 H 1 1.485 0.016 . 1 . . . A 57 ALA HB2 . 25757 1 495 . 1 1 59 59 ALA HB3 H 1 1.485 0.016 . 1 . . . A 57 ALA HB3 . 25757 1 496 . 1 1 59 59 ALA C C 13 178.584 0.000 . 1 . . . A 57 ALA C . 25757 1 497 . 1 1 59 59 ALA CA C 13 54.344 0.159 . 1 . . . A 57 ALA CA . 25757 1 498 . 1 1 59 59 ALA CB C 13 19.524 0.058 . 1 . . . A 57 ALA CB . 25757 1 499 . 1 1 59 59 ALA N N 15 131.75 0.000 . 1 . . . A 57 ALA N . 25757 1 500 . 1 1 60 60 ASP H H 1 8.130 0.008 . 1 . . . A 58 ASP H . 25757 1 501 . 1 1 60 60 ASP HA H 1 4.586 0.008 . 1 . . . A 58 ASP HA . 25757 1 502 . 1 1 60 60 ASP HB2 H 1 3.024 0.020 . 2 . . . A 58 ASP HB3 . 25757 1 503 . 1 1 60 60 ASP HB3 H 1 2.603 0.000 . 2 . . . A 58 ASP HB3 . 25757 1 504 . 1 1 60 60 ASP C C 13 177.756 0.050 . 1 . . . A 58 ASP C . 25757 1 505 . 1 1 60 60 ASP CA C 13 52.762 0.139 . 1 . . . A 58 ASP CA . 25757 1 506 . 1 1 60 60 ASP CB C 13 39.678 0.070 . 1 . . . A 58 ASP CB . 25757 1 507 . 1 1 60 60 ASP N N 15 113.602 0.000 . 1 . . . A 58 ASP N . 25757 1 508 . 1 1 61 61 GLY H H 1 7.694 0.005 . 1 . . . A 59 GLY H . 25757 1 509 . 1 1 61 61 GLY C C 13 175.139 0.017 . 1 . . . A 59 GLY C . 25757 1 510 . 1 1 61 61 GLY CA C 13 47.264 0.070 . 1 . . . A 59 GLY CA . 25757 1 511 . 1 1 61 61 GLY N N 15 109.195 0.000 . 1 . . . A 59 GLY N . 25757 1 512 . 1 1 62 62 ASN HA H 1 4.605 0.007 . 1 . . . A 60 ASN HA . 25757 1 513 . 1 1 62 62 ASN HB2 H 1 3.309 0.019 . 2 . . . A 60 ASN HB3 . 25757 1 514 . 1 1 62 62 ASN HB3 H 1 2.610 0.004 . 2 . . . A 60 ASN HB3 . 25757 1 515 . 1 1 63 63 GLY H H 1 10.633 0.015 . 1 . . . A 61 GLY H . 25757 1 516 . 1 1 63 63 GLY HA2 H 1 4.183 0.000 . 2 . . . A 61 GLY HA2 . 25757 1 517 . 1 1 63 63 GLY HA3 H 1 3.442 0.016 . 2 . . . A 61 GLY HA3 . 25757 1 518 . 1 1 63 63 GLY C C 13 173.234 0.000 . 1 . . . A 61 GLY C . 25757 1 519 . 1 1 63 63 GLY CA C 13 45.698 0.035 . 1 . . . A 61 GLY CA . 25757 1 520 . 1 1 63 63 GLY N N 15 113.316 0.088 . 1 . . . A 61 GLY N . 25757 1 521 . 1 1 64 64 THR H H 1 7.673 0.009 . 1 . . . A 62 THR H . 25757 1 522 . 1 1 64 64 THR HA H 1 4.736 0.016 . 1 . . . A 62 THR HA . 25757 1 523 . 1 1 64 64 THR HB H 1 3.989 0.012 . 1 . . . A 62 THR HB . 25757 1 524 . 1 1 64 64 THR HG21 H 1 1.097 0.012 . 1 . . . A 62 THR HG21 . 25757 1 525 . 1 1 64 64 THR HG22 H 1 1.097 0.012 . 1 . . . A 62 THR HG22 . 25757 1 526 . 1 1 64 64 THR HG23 H 1 1.097 0.012 . 1 . . . A 62 THR HG23 . 25757 1 527 . 1 1 64 64 THR C C 13 173.091 0.199 . 1 . . . A 62 THR C . 25757 1 528 . 1 1 64 64 THR CA C 13 59.617 0.035 . 1 . . . A 62 THR CA . 25757 1 529 . 1 1 64 64 THR CB C 13 72.004 0.035 . 1 . . . A 62 THR CB . 25757 1 530 . 1 1 64 64 THR CG2 C 13 22.604 0.014 . 1 . . . A 62 THR CG2 . 25757 1 531 . 1 1 64 64 THR N N 15 108.892 0.115 . 1 . . . A 62 THR N . 25757 1 532 . 1 1 65 65 ILE H H 1 8.907 0.004 . 1 . . . A 63 ILE H . 25757 1 533 . 1 1 65 65 ILE HA H 1 5.129 0.009 . 1 . . . A 63 ILE HA . 25757 1 534 . 1 1 65 65 ILE HB H 1 2.038 0.017 . 1 . . . A 63 ILE HB . 25757 1 535 . 1 1 65 65 ILE HG13 H 1 1.582 0.015 . 1 . . . A 63 ILE HG13 . 25757 1 536 . 1 1 65 65 ILE HG21 H 1 1.194 0.015 . 1 . . . A 63 ILE HG21 . 25757 1 537 . 1 1 65 65 ILE HG22 H 1 1.194 0.015 . 1 . . . A 63 ILE HG22 . 25757 1 538 . 1 1 65 65 ILE HG23 H 1 1.194 0.015 . 1 . . . A 63 ILE HG23 . 25757 1 539 . 1 1 65 65 ILE HD11 H 1 0.781 0.034 . 1 . . . A 63 ILE HD11 . 25757 1 540 . 1 1 65 65 ILE HD12 H 1 0.781 0.034 . 1 . . . A 63 ILE HD12 . 25757 1 541 . 1 1 65 65 ILE HD13 H 1 0.781 0.034 . 1 . . . A 63 ILE HD13 . 25757 1 542 . 1 1 65 65 ILE C C 13 175.652 0.000 . 1 . . . A 63 ILE C . 25757 1 543 . 1 1 65 65 ILE CA C 13 60.486 0.070 . 1 . . . A 63 ILE CA . 25757 1 544 . 1 1 65 65 ILE CB C 13 39.957 0.070 . 1 . . . A 63 ILE CB . 25757 1 545 . 1 1 65 65 ILE CG1 C 13 27.566 0.000 . 1 . . . A 63 ILE CG1 . 25757 1 546 . 1 1 65 65 ILE CG2 C 13 18.580 0.076 . 1 . . . A 63 ILE CG2 . 25757 1 547 . 1 1 65 65 ILE CD1 C 13 13.732 0.000 . 1 . . . A 63 ILE CD1 . 25757 1 548 . 1 1 65 65 ILE N N 15 123.324 0.031 . 1 . . . A 63 ILE N . 25757 1 549 . 1 1 66 66 ASP H H 1 8.864 0.005 . 1 . . . A 64 ASP H . 25757 1 550 . 1 1 66 66 ASP HA H 1 5.321 0.024 . 1 . . . A 64 ASP HA . 25757 1 551 . 1 1 66 66 ASP HB2 H 1 3.065 0.011 . 2 . . . A 64 ASP HB3 . 25757 1 552 . 1 1 66 66 ASP HB3 H 1 2.850 0.000 . 2 . . . A 64 ASP HB3 . 25757 1 553 . 1 1 66 66 ASP C C 13 176.431 0.017 . 1 . . . A 64 ASP C . 25757 1 554 . 1 1 66 66 ASP CA C 13 52.331 0.013 . 1 . . . A 64 ASP CA . 25757 1 555 . 1 1 66 66 ASP CB C 13 42.053 0.061 . 1 . . . A 64 ASP CB . 25757 1 556 . 1 1 66 66 ASP N N 15 128.253 0.000 . 1 . . . A 64 ASP N . 25757 1 557 . 1 1 67 67 PHE H H 1 8.962 0.004 . 1 . . . A 65 PHE H . 25757 1 558 . 1 1 67 67 PHE HA H 1 3.860 0.000 . 1 . . . A 65 PHE HA . 25757 1 559 . 1 1 67 67 PHE HB2 H 1 2.206 0.000 . 2 . . . A 65 PHE HB3 . 25757 1 560 . 1 1 67 67 PHE HB3 H 1 1.905 0.000 . 2 . . . A 65 PHE HB3 . 25757 1 561 . 1 1 67 67 PHE HE1 H 1 7.032 0.000 . 1 . . . A 65 PHE HE1 . 25757 1 562 . 1 1 67 67 PHE HE2 H 1 7.032 0.000 . 1 . . . A 65 PHE HE2 . 25757 1 563 . 1 1 67 67 PHE C C 13 173.458 0.000 . 1 . . . A 65 PHE C . 25757 1 564 . 1 1 67 67 PHE CA C 13 63.799 0.000 . 1 . . . A 65 PHE CA . 25757 1 565 . 1 1 67 67 PHE CB C 13 35.880 0.000 . 1 . . . A 65 PHE CB . 25757 1 566 . 1 1 67 67 PHE CE1 C 13 129.339 0.000 . 1 . . . A 65 PHE CE1 . 25757 1 567 . 1 1 67 67 PHE CE2 C 13 129.339 0.000 . 1 . . . A 65 PHE CE2 . 25757 1 568 . 1 1 67 67 PHE N N 15 118.583 0.000 . 1 . . . A 65 PHE N . 25757 1 569 . 1 1 68 68 PRO HA H 1 4.118 0.000 . 1 . . . A 66 PRO HA . 25757 1 570 . 1 1 68 68 PRO HB3 H 1 2.549 0.000 . 1 . . . A 66 PRO HB3 . 25757 1 571 . 1 1 68 68 PRO HG3 H 1 2.055 0.000 . 1 . . . A 66 PRO HG3 . 25757 1 572 . 1 1 68 68 PRO HD3 H 1 2.915 0.000 . 1 . . . A 66 PRO HD3 . 25757 1 573 . 1 1 68 68 PRO C C 13 180.038 0.000 . 1 . . . A 66 PRO C . 25757 1 574 . 1 1 68 68 PRO CA C 13 66.690 0.000 . 1 . . . A 66 PRO CA . 25757 1 575 . 1 1 68 68 PRO CB C 13 30.677 0.000 . 1 . . . A 66 PRO CB . 25757 1 576 . 1 1 69 69 GLU H H 1 7.953 0.010 . 1 . . . A 67 GLU H . 25757 1 577 . 1 1 69 69 GLU C C 13 178.737 0.010 . 1 . . . A 67 GLU C . 25757 1 578 . 1 1 69 69 GLU CA C 13 59.008 0.000 . 1 . . . A 67 GLU CA . 25757 1 579 . 1 1 69 69 GLU CB C 13 29.685 0.083 . 1 . . . A 67 GLU CB . 25757 1 580 . 1 1 69 69 GLU CG C 13 37.126 0.000 . 1 . . . A 67 GLU CG . 25757 1 581 . 1 1 69 69 GLU N N 15 118.402 0.000 . 1 . . . A 67 GLU N . 25757 1 582 . 1 1 70 70 PHE H H 1 8.928 0.013 . 1 . . . A 68 PHE H . 25757 1 583 . 1 1 70 70 PHE HA H 1 3.972 0.025 . 1 . . . A 68 PHE HA . 25757 1 584 . 1 1 70 70 PHE HB3 H 1 3.178 0.024 . 1 . . . A 68 PHE HB3 . 25757 1 585 . 1 1 70 70 PHE HD1 H 1 6.725 0.004 . 1 . . . A 68 PHE HD1 . 25757 1 586 . 1 1 70 70 PHE HD2 H 1 6.725 0.004 . 1 . . . A 68 PHE HD2 . 25757 1 587 . 1 1 70 70 PHE C C 13 177.184 0.010 . 1 . . . A 68 PHE C . 25757 1 588 . 1 1 70 70 PHE CA C 13 61.338 0.189 . 1 . . . A 68 PHE CA . 25757 1 589 . 1 1 70 70 PHE CB C 13 39.969 0.041 . 1 . . . A 68 PHE CB . 25757 1 590 . 1 1 70 70 PHE CD1 C 13 132.092 0.126 . 1 . . . A 68 PHE CD1 . 25757 1 591 . 1 1 70 70 PHE CD2 C 13 132.092 0.126 . 1 . . . A 68 PHE CD2 . 25757 1 592 . 1 1 70 70 PHE N N 15 123.421 0.026 . 1 . . . A 68 PHE N . 25757 1 593 . 1 1 71 71 LEU H H 1 8.374 0.011 . 1 . . . A 69 LEU H . 25757 1 594 . 1 1 71 71 LEU HA H 1 3.335 0.023 . 1 . . . A 69 LEU HA . 25757 1 595 . 1 1 71 71 LEU HB3 H 1 1.508 0.020 . 1 . . . A 69 LEU HB3 . 25757 1 596 . 1 1 71 71 LEU HD11 H 1 0.458 0.023 . 2 . . . A 69 LEU HD11 . 25757 1 597 . 1 1 71 71 LEU HD12 H 1 0.458 0.023 . 2 . . . A 69 LEU HD12 . 25757 1 598 . 1 1 71 71 LEU HD13 H 1 0.458 0.023 . 2 . . . A 69 LEU HD13 . 25757 1 599 . 1 1 71 71 LEU HD21 H 1 0.500 0.008 . 2 . . . A 69 LEU HD21 . 25757 1 600 . 1 1 71 71 LEU HD22 H 1 0.500 0.008 . 2 . . . A 69 LEU HD22 . 25757 1 601 . 1 1 71 71 LEU HD23 H 1 0.500 0.008 . 2 . . . A 69 LEU HD23 . 25757 1 602 . 1 1 71 71 LEU C C 13 178.987 0.010 . 1 . . . A 69 LEU C . 25757 1 603 . 1 1 71 71 LEU CA C 13 57.862 0.065 . 1 . . . A 69 LEU CA . 25757 1 604 . 1 1 71 71 LEU CB C 13 40.832 0.054 . 1 . . . A 69 LEU CB . 25757 1 605 . 1 1 71 71 LEU CD1 C 13 25.559 0.047 . 2 . . . A 69 LEU CD1 . 25757 1 606 . 1 1 71 71 LEU CD2 C 13 23.931 0.000 . 2 . . . A 69 LEU CD2 . 25757 1 607 . 1 1 71 71 LEU N N 15 119.284 0.000 . 1 . . . A 69 LEU N . 25757 1 608 . 1 1 72 72 THR H H 1 7.493 0.010 . 1 . . . A 70 THR H . 25757 1 609 . 1 1 72 72 THR HA H 1 4.338 0.014 . 1 . . . A 70 THR HA . 25757 1 610 . 1 1 72 72 THR HB H 1 3.728 0.014 . 1 . . . A 70 THR HB . 25757 1 611 . 1 1 72 72 THR HG21 H 1 1.175 0.026 . 1 . . . A 70 THR HG21 . 25757 1 612 . 1 1 72 72 THR HG22 H 1 1.175 0.026 . 1 . . . A 70 THR HG22 . 25757 1 613 . 1 1 72 72 THR HG23 H 1 1.175 0.026 . 1 . . . A 70 THR HG23 . 25757 1 614 . 1 1 72 72 THR C C 13 176.169 0.046 . 1 . . . A 70 THR C . 25757 1 615 . 1 1 72 72 THR CA C 13 66.700 0.160 . 1 . . . A 70 THR CA . 25757 1 616 . 1 1 72 72 THR CB C 13 68.379 0.110 . 1 . . . A 70 THR CB . 25757 1 617 . 1 1 72 72 THR CG2 C 13 22.297 0.185 . 1 . . . A 70 THR CG2 . 25757 1 618 . 1 1 72 72 THR N N 15 116.017 0.000 . 1 . . . A 70 THR N . 25757 1 619 . 1 1 73 73 MET H H 1 7.924 0.009 . 1 . . . A 71 MET H . 25757 1 620 . 1 1 73 73 MET HA H 1 3.718 0.019 . 1 . . . A 71 MET HA . 25757 1 621 . 1 1 73 73 MET HB2 H 1 2.457 0.007 . 2 . . . A 71 MET HB3 . 25757 1 622 . 1 1 73 73 MET HB3 H 1 2.091 0.026 . 2 . . . A 71 MET HB3 . 25757 1 623 . 1 1 73 73 MET HE1 H 1 1.728 0.002 . 1 . . . A 71 MET HE1 . 25757 1 624 . 1 1 73 73 MET HE2 H 1 1.728 0.002 . 1 . . . A 71 MET HE2 . 25757 1 625 . 1 1 73 73 MET HE3 H 1 1.728 0.002 . 1 . . . A 71 MET HE3 . 25757 1 626 . 1 1 73 73 MET C C 13 178.190 0.000 . 1 . . . A 71 MET C . 25757 1 627 . 1 1 73 73 MET CA C 13 59.335 0.170 . 1 . . . A 71 MET CA . 25757 1 628 . 1 1 73 73 MET CB C 13 33.894 0.085 . 1 . . . A 71 MET CB . 25757 1 629 . 1 1 73 73 MET CG C 13 31.511 0.000 . 1 . . . A 71 MET CG . 25757 1 630 . 1 1 73 73 MET CE C 13 17.537 0.015 . 1 . . . A 71 MET CE . 25757 1 631 . 1 1 73 73 MET N N 15 121.915 0.000 . 1 . . . A 71 MET N . 25757 1 632 . 1 1 74 74 MET H H 1 8.276 0.013 . 1 . . . A 72 MET H . 25757 1 633 . 1 1 74 74 MET HA H 1 3.968 0.011 . 1 . . . A 72 MET HA . 25757 1 634 . 1 1 74 74 MET HB3 H 1 1.240 0.007 . 1 . . . A 72 MET HB3 . 25757 1 635 . 1 1 74 74 MET HG3 H 1 1.056 0.013 . 1 . . . A 72 MET HG3 . 25757 1 636 . 1 1 74 74 MET HE1 H 1 1.637 0.001 . 1 . . . A 72 MET HE1 . 25757 1 637 . 1 1 74 74 MET HE2 H 1 1.637 0.001 . 1 . . . A 72 MET HE2 . 25757 1 638 . 1 1 74 74 MET HE3 H 1 1.637 0.001 . 1 . . . A 72 MET HE3 . 25757 1 639 . 1 1 74 74 MET C C 13 178.211 0.000 . 1 . . . A 72 MET C . 25757 1 640 . 1 1 74 74 MET CA C 13 56.059 0.043 . 1 . . . A 72 MET CA . 25757 1 641 . 1 1 74 74 MET CB C 13 31.639 0.128 . 1 . . . A 72 MET CB . 25757 1 642 . 1 1 74 74 MET CG C 13 32.290 0.000 . 1 . . . A 72 MET CG . 25757 1 643 . 1 1 74 74 MET CE C 13 18.203 0.043 . 1 . . . A 72 MET CE . 25757 1 644 . 1 1 74 74 MET N N 15 116.973 0.000 . 1 . . . A 72 MET N . 25757 1 645 . 1 1 75 75 ALA H H 1 8.240 0.011 . 1 . . . A 73 ALA H . 25757 1 646 . 1 1 75 75 ALA HA H 1 3.950 0.010 . 1 . . . A 73 ALA HA . 25757 1 647 . 1 1 75 75 ALA HB1 H 1 1.275 0.016 . 1 . . . A 73 ALA HB1 . 25757 1 648 . 1 1 75 75 ALA HB2 H 1 1.275 0.016 . 1 . . . A 73 ALA HB2 . 25757 1 649 . 1 1 75 75 ALA HB3 H 1 1.275 0.016 . 1 . . . A 73 ALA HB3 . 25757 1 650 . 1 1 75 75 ALA C C 13 180.231 0.011 . 1 . . . A 73 ALA C . 25757 1 651 . 1 1 75 75 ALA CA C 13 54.953 0.043 . 1 . . . A 73 ALA CA . 25757 1 652 . 1 1 75 75 ALA CB C 13 18.032 0.201 . 1 . . . A 73 ALA CB . 25757 1 653 . 1 1 75 75 ALA N N 15 122.499 0.000 . 1 . . . A 73 ALA N . 25757 1 654 . 1 1 76 76 ARG H H 1 7.420 0.009 . 1 . . . A 74 ARG H . 25757 1 655 . 1 1 76 76 ARG HA H 1 3.992 0.018 . 1 . . . A 74 ARG HA . 25757 1 656 . 1 1 76 76 ARG C C 13 178.567 0.033 . 1 . . . A 74 ARG C . 25757 1 657 . 1 1 76 76 ARG CA C 13 58.825 0.000 . 1 . . . A 74 ARG CA . 25757 1 658 . 1 1 76 76 ARG CB C 13 30.075 0.000 . 1 . . . A 74 ARG CB . 25757 1 659 . 1 1 76 76 ARG CD C 13 43.874 0.000 . 1 . . . A 74 ARG CD . 25757 1 660 . 1 1 76 76 ARG N N 15 116.098 0.025 . 1 . . . A 74 ARG N . 25757 1 661 . 1 1 77 77 LYS H H 1 7.862 0.022 . 1 . . . A 75 LYS H . 25757 1 662 . 1 1 77 77 LYS HA H 1 4.043 0.000 . 1 . . . A 75 LYS HA . 25757 1 663 . 1 1 77 77 LYS HB3 H 1 1.915 0.000 . 1 . . . A 75 LYS HB3 . 25757 1 664 . 1 1 77 77 LYS HG3 H 1 1.690 0.000 . 1 . . . A 75 LYS HG3 . 25757 1 665 . 1 1 77 77 LYS HE3 H 1 3.216 0.000 . 1 . . . A 75 LYS HE3 . 25757 1 666 . 1 1 77 77 LYS C C 13 179.045 0.000 . 1 . . . A 75 LYS C . 25757 1 667 . 1 1 77 77 LYS CA C 13 57.889 0.000 . 1 . . . A 75 LYS CA . 25757 1 668 . 1 1 77 77 LYS CB C 13 31.766 0.000 . 1 . . . A 75 LYS CB . 25757 1 669 . 1 1 77 77 LYS N N 15 119.046 0.064 . 1 . . . A 75 LYS N . 25757 1 670 . 1 1 78 78 MET H H 1 8.099 0.001 . 1 . . . A 76 MET H . 25757 1 671 . 1 1 78 78 MET N N 15 116.772 0.000 . 1 . . . A 76 MET N . 25757 1 672 . 1 1 80 80 ASP HA H 1 4.634 0.000 . 1 . . . A 78 ASP HA . 25757 1 673 . 1 1 80 80 ASP HB2 H 1 2.754 0.000 . 2 . . . A 78 ASP HB3 . 25757 1 674 . 1 1 80 80 ASP HB3 H 1 2.657 0.000 . 2 . . . A 78 ASP HB3 . 25757 1 675 . 1 1 80 80 ASP C C 13 176.395 0.000 . 1 . . . A 78 ASP C . 25757 1 676 . 1 1 80 80 ASP CA C 13 54.644 0.000 . 1 . . . A 78 ASP CA . 25757 1 677 . 1 1 80 80 ASP CB C 13 41.474 0.000 . 1 . . . A 78 ASP CB . 25757 1 678 . 1 1 81 81 THR H H 1 8.039 0.003 . 1 . . . A 79 THR H . 25757 1 679 . 1 1 81 81 THR HA H 1 4.215 0.000 . 1 . . . A 79 THR HA . 25757 1 680 . 1 1 81 81 THR HG21 H 1 1.174 0.000 . 1 . . . A 79 THR HG21 . 25757 1 681 . 1 1 81 81 THR HG22 H 1 1.174 0.000 . 1 . . . A 79 THR HG22 . 25757 1 682 . 1 1 81 81 THR HG23 H 1 1.174 0.000 . 1 . . . A 79 THR HG23 . 25757 1 683 . 1 1 81 81 THR C C 13 174.204 0.011 . 1 . . . A 79 THR C . 25757 1 684 . 1 1 81 81 THR CA C 13 62.264 0.188 . 1 . . . A 79 THR CA . 25757 1 685 . 1 1 81 81 THR CB C 13 69.884 0.000 . 1 . . . A 79 THR CB . 25757 1 686 . 1 1 81 81 THR CG2 C 13 21.605 0.000 . 1 . . . A 79 THR CG2 . 25757 1 687 . 1 1 81 81 THR N N 15 113.904 0.020 . 1 . . . A 79 THR N . 25757 1 688 . 1 1 82 82 ASP H H 1 8.441 0.003 . 1 . . . A 80 ASP H . 25757 1 689 . 1 1 82 82 ASP HA H 1 4.720 0.000 . 1 . . . A 80 ASP HA . 25757 1 690 . 1 1 82 82 ASP HB2 H 1 2.754 0.000 . 2 . . . A 80 ASP HB3 . 25757 1 691 . 1 1 82 82 ASP HB3 H 1 2.603 0.000 . 2 . . . A 80 ASP HB3 . 25757 1 692 . 1 1 82 82 ASP C C 13 176.221 0.003 . 1 . . . A 80 ASP C . 25757 1 693 . 1 1 82 82 ASP CA C 13 54.315 0.047 . 1 . . . A 80 ASP CA . 25757 1 694 . 1 1 82 82 ASP CB C 13 41.427 0.047 . 1 . . . A 80 ASP CB . 25757 1 695 . 1 1 82 82 ASP N N 15 123.572 0.000 . 1 . . . A 80 ASP N . 25757 1 696 . 1 1 83 83 SER H H 1 8.503 0.003 . 1 . . . A 81 SER H . 25757 1 697 . 1 1 83 83 SER HA H 1 3.925 0.000 . 1 . . . A 81 SER HA . 25757 1 698 . 1 1 83 83 SER C C 13 175.264 0.000 . 1 . . . A 81 SER C . 25757 1 699 . 1 1 83 83 SER CA C 13 58.860 0.017 . 1 . . . A 81 SER CA . 25757 1 700 . 1 1 83 83 SER CB C 13 63.790 0.074 . 1 . . . A 81 SER CB . 25757 1 701 . 1 1 83 83 SER N N 15 117.879 0.000 . 1 . . . A 81 SER N . 25757 1 702 . 1 1 84 84 GLU H H 1 8.563 0.006 . 1 . . . A 82 GLU H . 25757 1 703 . 1 1 84 84 GLU HA H 1 4.058 0.006 . 1 . . . A 82 GLU HA . 25757 1 704 . 1 1 84 84 GLU HB3 H 1 2.152 0.000 . 1 . . . A 82 GLU HB3 . 25757 1 705 . 1 1 84 84 GLU HG3 H 1 2.356 0.000 . 1 . . . A 82 GLU HG3 . 25757 1 706 . 1 1 84 84 GLU C C 13 178.378 0.000 . 1 . . . A 82 GLU C . 25757 1 707 . 1 1 84 84 GLU CA C 13 59.586 0.000 . 1 . . . A 82 GLU CA . 25757 1 708 . 1 1 84 84 GLU CB C 13 29.603 0.000 . 1 . . . A 82 GLU CB . 25757 1 709 . 1 1 84 84 GLU N N 15 123.206 0.000 . 1 . . . A 82 GLU N . 25757 1 710 . 1 1 85 85 GLU H H 1 7.728 0.003 . 1 . . . A 83 GLU H . 25757 1 711 . 1 1 85 85 GLU HA H 1 3.957 0.000 . 1 . . . A 83 GLU HA . 25757 1 712 . 1 1 85 85 GLU HB3 H 1 2.034 0.000 . 1 . . . A 83 GLU HB3 . 25757 1 713 . 1 1 85 85 GLU HG3 H 1 2.313 0.000 . 1 . . . A 83 GLU HG3 . 25757 1 714 . 1 1 85 85 GLU C C 13 178.606 0.000 . 1 . . . A 83 GLU C . 25757 1 715 . 1 1 85 85 GLU CA C 13 59.669 0.000 . 1 . . . A 83 GLU CA . 25757 1 716 . 1 1 85 85 GLU CB C 13 29.355 0.000 . 1 . . . A 83 GLU CB . 25757 1 717 . 1 1 85 85 GLU N N 15 119.262 0.000 . 1 . . . A 83 GLU N . 25757 1 718 . 1 1 86 86 GLU H H 1 8.346 0.002 . 1 . . . A 84 GLU H . 25757 1 719 . 1 1 86 86 GLU HA H 1 4.107 0.000 . 1 . . . A 84 GLU HA . 25757 1 720 . 1 1 86 86 GLU HB3 H 1 2.098 0.000 . 1 . . . A 84 GLU HB3 . 25757 1 721 . 1 1 86 86 GLU HG3 H 1 2.334 0.000 . 1 . . . A 84 GLU HG3 . 25757 1 722 . 1 1 86 86 GLU C C 13 179.436 0.021 . 1 . . . A 84 GLU C . 25757 1 723 . 1 1 86 86 GLU CA C 13 59.503 0.000 . 1 . . . A 84 GLU CA . 25757 1 724 . 1 1 86 86 GLU CB C 13 29.107 0.000 . 1 . . . A 84 GLU CB . 25757 1 725 . 1 1 86 86 GLU N N 15 118.432 0.000 . 1 . . . A 84 GLU N . 25757 1 726 . 1 1 87 87 ILE H H 1 7.821 0.019 . 1 . . . A 85 ILE H . 25757 1 727 . 1 1 87 87 ILE HA H 1 3.748 0.021 . 1 . . . A 85 ILE HA . 25757 1 728 . 1 1 87 87 ILE HB H 1 2.108 0.021 . 1 . . . A 85 ILE HB . 25757 1 729 . 1 1 87 87 ILE HG12 H 1 1.775 0.020 . 2 . . . A 85 ILE HG13 . 25757 1 730 . 1 1 87 87 ILE HG13 H 1 0.876 0.009 . 2 . . . A 85 ILE HG13 . 25757 1 731 . 1 1 87 87 ILE HG21 H 1 1.010 0.015 . 1 . . . A 85 ILE HG21 . 25757 1 732 . 1 1 87 87 ILE HG22 H 1 1.010 0.015 . 1 . . . A 85 ILE HG22 . 25757 1 733 . 1 1 87 87 ILE HG23 H 1 1.010 0.015 . 1 . . . A 85 ILE HG23 . 25757 1 734 . 1 1 87 87 ILE HD11 H 1 0.652 0.013 . 1 . . . A 85 ILE HD11 . 25757 1 735 . 1 1 87 87 ILE HD12 H 1 0.652 0.013 . 1 . . . A 85 ILE HD12 . 25757 1 736 . 1 1 87 87 ILE HD13 H 1 0.652 0.013 . 1 . . . A 85 ILE HD13 . 25757 1 737 . 1 1 87 87 ILE C C 13 177.661 0.010 . 1 . . . A 85 ILE C . 25757 1 738 . 1 1 87 87 ILE CA C 13 65.490 0.149 . 1 . . . A 85 ILE CA . 25757 1 739 . 1 1 87 87 ILE CB C 13 37.431 0.027 . 1 . . . A 85 ILE CB . 25757 1 740 . 1 1 87 87 ILE CG1 C 13 29.569 0.202 . 1 . . . A 85 ILE CG1 . 25757 1 741 . 1 1 87 87 ILE CG2 C 13 19.033 0.141 . 1 . . . A 85 ILE CG2 . 25757 1 742 . 1 1 87 87 ILE CD1 C 13 13.281 0.075 . 1 . . . A 85 ILE CD1 . 25757 1 743 . 1 1 87 87 ILE N N 15 120.925 0.024 . 1 . . . A 85 ILE N . 25757 1 744 . 1 1 88 88 ARG H H 1 8.432 0.017 . 1 . . . A 86 ARG H . 25757 1 745 . 1 1 88 88 ARG HA H 1 4.136 0.006 . 1 . . . A 86 ARG HA . 25757 1 746 . 1 1 88 88 ARG HB2 H 1 1.884 0.012 . 2 . . . A 86 ARG HB3 . 25757 1 747 . 1 1 88 88 ARG HB3 H 1 1.560 0.008 . 2 . . . A 86 ARG HB3 . 25757 1 748 . 1 1 88 88 ARG HG3 H 1 2.049 0.003 . 1 . . . A 86 ARG HG3 . 25757 1 749 . 1 1 88 88 ARG HD3 H 1 2.990 0.000 . 1 . . . A 86 ARG HD3 . 25757 1 750 . 1 1 88 88 ARG C C 13 179.208 0.029 . 1 . . . A 86 ARG C . 25757 1 751 . 1 1 88 88 ARG CA C 13 60.371 0.041 . 1 . . . A 86 ARG CA . 25757 1 752 . 1 1 88 88 ARG CB C 13 30.098 0.083 . 1 . . . A 86 ARG CB . 25757 1 753 . 1 1 88 88 ARG N N 15 121.916 0.000 . 1 . . . A 86 ARG N . 25757 1 754 . 1 1 89 89 GLU H H 1 8.225 0.009 . 1 . . . A 87 GLU H . 25757 1 755 . 1 1 89 89 GLU HA H 1 4.112 0.012 . 1 . . . A 87 GLU HA . 25757 1 756 . 1 1 89 89 GLU HB3 H 1 2.055 0.021 . 1 . . . A 87 GLU HB3 . 25757 1 757 . 1 1 89 89 GLU HG3 H 1 2.351 0.005 . 1 . . . A 87 GLU HG3 . 25757 1 758 . 1 1 89 89 GLU C C 13 178.516 0.007 . 1 . . . A 87 GLU C . 25757 1 759 . 1 1 89 89 GLU CA C 13 59.025 0.000 . 1 . . . A 87 GLU CA . 25757 1 760 . 1 1 89 89 GLU CB C 13 29.170 0.000 . 1 . . . A 87 GLU CB . 25757 1 761 . 1 1 89 89 GLU N N 15 118.261 0.000 . 1 . . . A 87 GLU N . 25757 1 762 . 1 1 90 90 ALA H H 1 7.789 0.008 . 1 . . . A 88 ALA H . 25757 1 763 . 1 1 90 90 ALA HA H 1 3.827 0.026 . 1 . . . A 88 ALA HA . 25757 1 764 . 1 1 90 90 ALA HB1 H 1 1.469 0.016 . 1 . . . A 88 ALA HB1 . 25757 1 765 . 1 1 90 90 ALA HB2 H 1 1.469 0.016 . 1 . . . A 88 ALA HB2 . 25757 1 766 . 1 1 90 90 ALA HB3 H 1 1.469 0.016 . 1 . . . A 88 ALA HB3 . 25757 1 767 . 1 1 90 90 ALA C C 13 177.947 0.011 . 1 . . . A 88 ALA C . 25757 1 768 . 1 1 90 90 ALA CA C 13 54.861 0.081 . 1 . . . A 88 ALA CA . 25757 1 769 . 1 1 90 90 ALA CB C 13 17.955 0.033 . 1 . . . A 88 ALA CB . 25757 1 770 . 1 1 90 90 ALA N N 15 121.009 0.000 . 1 . . . A 88 ALA N . 25757 1 771 . 1 1 91 91 PHE H H 1 8.337 0.011 . 1 . . . A 89 PHE H . 25757 1 772 . 1 1 91 91 PHE HB2 H 1 3.199 0.014 . 2 . . . A 89 PHE HB3 . 25757 1 773 . 1 1 91 91 PHE HB3 H 1 3.036 0.010 . 2 . . . A 89 PHE HB3 . 25757 1 774 . 1 1 91 91 PHE C C 13 176.134 0.026 . 1 . . . A 89 PHE C . 25757 1 775 . 1 1 91 91 PHE CA C 13 62.650 0.140 . 1 . . . A 89 PHE CA . 25757 1 776 . 1 1 91 91 PHE CB C 13 38.893 0.000 . 1 . . . A 89 PHE CB . 25757 1 777 . 1 1 91 91 PHE N N 15 117.164 0.064 . 1 . . . A 89 PHE N . 25757 1 778 . 1 1 92 92 ARG H H 1 7.681 0.009 . 1 . . . A 90 ARG H . 25757 1 779 . 1 1 92 92 ARG HA H 1 3.914 0.000 . 1 . . . A 90 ARG HA . 25757 1 780 . 1 1 92 92 ARG HB3 H 1 1.590 0.024 . 1 . . . A 90 ARG HB3 . 25757 1 781 . 1 1 92 92 ARG HG3 H 1 1.909 0.004 . 1 . . . A 90 ARG HG3 . 25757 1 782 . 1 1 92 92 ARG HD3 H 1 3.183 0.000 . 1 . . . A 90 ARG HD3 . 25757 1 783 . 1 1 92 92 ARG C C 13 178.296 0.015 . 1 . . . A 90 ARG C . 25757 1 784 . 1 1 92 92 ARG CA C 13 59.079 0.066 . 1 . . . A 90 ARG CA . 25757 1 785 . 1 1 92 92 ARG CB C 13 30.093 0.100 . 1 . . . A 90 ARG CB . 25757 1 786 . 1 1 92 92 ARG N N 15 114.900 0.000 . 1 . . . A 90 ARG N . 25757 1 787 . 1 1 93 93 VAL H H 1 7.405 0.007 . 1 . . . A 91 VAL H . 25757 1 788 . 1 1 93 93 VAL HA H 1 3.607 0.010 . 1 . . . A 91 VAL HA . 25757 1 789 . 1 1 93 93 VAL HB H 1 2.017 0.027 . 1 . . . A 91 VAL HB . 25757 1 790 . 1 1 93 93 VAL HG11 H 1 0.932 0.011 . 2 . . . A 91 VAL HG11 . 25757 1 791 . 1 1 93 93 VAL HG12 H 1 0.932 0.011 . 2 . . . A 91 VAL HG12 . 25757 1 792 . 1 1 93 93 VAL HG13 H 1 0.932 0.011 . 2 . . . A 91 VAL HG13 . 25757 1 793 . 1 1 93 93 VAL HG21 H 1 0.820 0.014 . 2 . . . A 91 VAL HG21 . 25757 1 794 . 1 1 93 93 VAL HG22 H 1 0.820 0.014 . 2 . . . A 91 VAL HG22 . 25757 1 795 . 1 1 93 93 VAL HG23 H 1 0.820 0.014 . 2 . . . A 91 VAL HG23 . 25757 1 796 . 1 1 93 93 VAL C C 13 177.964 0.039 . 1 . . . A 91 VAL C . 25757 1 797 . 1 1 93 93 VAL CA C 13 64.960 0.136 . 1 . . . A 91 VAL CA . 25757 1 798 . 1 1 93 93 VAL CB C 13 31.619 0.206 . 1 . . . A 91 VAL CB . 25757 1 799 . 1 1 93 93 VAL CG2 C 13 22.663 0.141 . 1 . . . A 91 VAL CG2 . 25757 1 800 . 1 1 93 93 VAL N N 15 116.927 0.060 . 1 . . . A 91 VAL N . 25757 1 801 . 1 1 94 94 PHE H H 1 7.886 0.004 . 1 . . . A 92 PHE H . 25757 1 802 . 1 1 94 94 PHE HA H 1 4.362 0.013 . 1 . . . A 92 PHE HA . 25757 1 803 . 1 1 94 94 PHE HB2 H 1 2.754 0.000 . 2 . . . A 92 PHE HB3 . 25757 1 804 . 1 1 94 94 PHE HB3 H 1 2.698 0.010 . 2 . . . A 92 PHE HB3 . 25757 1 805 . 1 1 94 94 PHE HD1 H 1 7.018 0.009 . 1 . . . A 92 PHE HD1 . 25757 1 806 . 1 1 94 94 PHE HD2 H 1 7.018 0.009 . 1 . . . A 92 PHE HD2 . 25757 1 807 . 1 1 94 94 PHE HE1 H 1 7.264 0.009 . 1 . . . A 92 PHE HE1 . 25757 1 808 . 1 1 94 94 PHE HE2 H 1 7.264 0.009 . 1 . . . A 92 PHE HE2 . 25757 1 809 . 1 1 94 94 PHE C C 13 177.639 0.055 . 1 . . . A 92 PHE C . 25757 1 810 . 1 1 94 94 PHE CA C 13 57.721 0.000 . 1 . . . A 92 PHE CA . 25757 1 811 . 1 1 94 94 PHE CB C 13 38.427 0.000 . 1 . . . A 92 PHE CB . 25757 1 812 . 1 1 94 94 PHE CD1 C 13 130.661 0.096 . 1 . . . A 92 PHE CD1 . 25757 1 813 . 1 1 94 94 PHE CD2 C 13 130.661 0.096 . 1 . . . A 92 PHE CD2 . 25757 1 814 . 1 1 94 94 PHE CE1 C 13 130.686 0.033 . 1 . . . A 92 PHE CE1 . 25757 1 815 . 1 1 94 94 PHE CE2 C 13 130.686 0.033 . 1 . . . A 92 PHE CE2 . 25757 1 816 . 1 1 94 94 PHE N N 15 119.026 0.000 . 1 . . . A 92 PHE N . 25757 1 817 . 1 1 95 95 ASP H H 1 8.009 0.014 . 1 . . . A 93 ASP H . 25757 1 818 . 1 1 95 95 ASP HA H 1 4.462 0.017 . 1 . . . A 93 ASP HA . 25757 1 819 . 1 1 95 95 ASP HB3 H 1 1.321 0.014 . 1 . . . A 93 ASP HB3 . 25757 1 820 . 1 1 95 95 ASP C C 13 176.979 0.011 . 1 . . . A 93 ASP C . 25757 1 821 . 1 1 95 95 ASP CA C 13 52.148 0.000 . 1 . . . A 93 ASP CA . 25757 1 822 . 1 1 95 95 ASP CB C 13 38.149 0.000 . 1 . . . A 93 ASP CB . 25757 1 823 . 1 1 95 95 ASP N N 15 118.238 0.000 . 1 . . . A 93 ASP N . 25757 1 824 . 1 1 96 96 LYS H H 1 7.428 0.008 . 1 . . . A 94 LYS H . 25757 1 825 . 1 1 96 96 LYS C C 13 178.213 0.040 . 1 . . . A 94 LYS C . 25757 1 826 . 1 1 96 96 LYS CA C 13 59.318 0.114 . 1 . . . A 94 LYS CA . 25757 1 827 . 1 1 96 96 LYS CB C 13 31.028 0.000 . 1 . . . A 94 LYS CB . 25757 1 828 . 1 1 96 96 LYS N N 15 125.792 0.000 . 1 . . . A 94 LYS N . 25757 1 829 . 1 1 97 97 ASP H H 1 8.159 0.017 . 1 . . . A 95 ASP H . 25757 1 830 . 1 1 97 97 ASP C C 13 177.718 0.027 . 1 . . . A 95 ASP C . 25757 1 831 . 1 1 97 97 ASP CA C 13 52.945 0.114 . 1 . . . A 95 ASP CA . 25757 1 832 . 1 1 97 97 ASP CB C 13 39.743 0.000 . 1 . . . A 95 ASP CB . 25757 1 833 . 1 1 97 97 ASP N N 15 113.833 0.000 . 1 . . . A 95 ASP N . 25757 1 834 . 1 1 98 98 GLY H H 1 7.848 0.015 . 1 . . . A 96 GLY H . 25757 1 835 . 1 1 98 98 GLY C C 13 175.093 0.000 . 1 . . . A 96 GLY C . 25757 1 836 . 1 1 98 98 GLY CA C 13 47.254 0.000 . 1 . . . A 96 GLY CA . 25757 1 837 . 1 1 98 98 GLY N N 15 109.414 0.000 . 1 . . . A 96 GLY N . 25757 1 838 . 1 1 99 99 ASN H H 1 8.338 0.007 . 1 . . . A 97 ASN H . 25757 1 839 . 1 1 99 99 ASN HA H 1 4.612 0.011 . 1 . . . A 97 ASN HA . 25757 1 840 . 1 1 99 99 ASN HB2 H 1 3.406 0.003 . 2 . . . A 97 ASN HB3 . 25757 1 841 . 1 1 99 99 ASN HB3 H 1 2.640 0.014 . 2 . . . A 97 ASN HB3 . 25757 1 842 . 1 1 99 99 ASN C C 13 175.937 0.013 . 1 . . . A 97 ASN C . 25757 1 843 . 1 1 99 99 ASN CA C 13 52.888 0.171 . 1 . . . A 97 ASN CA . 25757 1 844 . 1 1 99 99 ASN CB C 13 38.320 0.057 . 1 . . . A 97 ASN CB . 25757 1 845 . 1 1 99 99 ASN N N 15 119.590 0.000 . 1 . . . A 97 ASN N . 25757 1 846 . 1 1 100 100 GLY H H 1 10.695 0.014 . 1 . . . A 98 GLY H . 25757 1 847 . 1 1 100 100 GLY HA2 H 1 4.012 0.010 . 2 . . . A 98 GLY HA2 . 25757 1 848 . 1 1 100 100 GLY HA3 H 1 3.408 0.017 . 2 . . . A 98 GLY HA3 . 25757 1 849 . 1 1 100 100 GLY C C 13 172.429 0.013 . 1 . . . A 98 GLY C . 25757 1 850 . 1 1 100 100 GLY CA C 13 45.092 0.000 . 1 . . . A 98 GLY CA . 25757 1 851 . 1 1 100 100 GLY N N 15 112.940 0.000 . 1 . . . A 98 GLY N . 25757 1 852 . 1 1 101 101 TYR H H 1 7.597 0.007 . 1 . . . A 99 TYR H . 25757 1 853 . 1 1 101 101 TYR HA H 1 5.087 0.029 . 1 . . . A 99 TYR HA . 25757 1 854 . 1 1 101 101 TYR HB2 H 1 1.941 0.000 . 2 . . . A 99 TYR HB3 . 25757 1 855 . 1 1 101 101 TYR HB3 H 1 1.952 0.000 . 2 . . . A 99 TYR HB3 . 25757 1 856 . 1 1 101 101 TYR HD1 H 1 6.689 0.015 . 1 . . . A 99 TYR HD1 . 25757 1 857 . 1 1 101 101 TYR HD2 H 1 6.689 0.015 . 1 . . . A 99 TYR HD2 . 25757 1 858 . 1 1 101 101 TYR HE1 H 1 6.878 0.008 . 1 . . . A 99 TYR HE1 . 25757 1 859 . 1 1 101 101 TYR HE2 H 1 6.878 0.008 . 1 . . . A 99 TYR HE2 . 25757 1 860 . 1 1 101 101 TYR C C 13 174.859 0.021 . 1 . . . A 99 TYR C . 25757 1 861 . 1 1 101 101 TYR CA C 13 56.018 0.000 . 1 . . . A 99 TYR CA . 25757 1 862 . 1 1 101 101 TYR CB C 13 43.353 0.031 . 1 . . . A 99 TYR CB . 25757 1 863 . 1 1 101 101 TYR CD1 C 13 133.192 0.020 . 1 . . . A 99 TYR CD1 . 25757 1 864 . 1 1 101 101 TYR CD2 C 13 133.192 0.020 . 1 . . . A 99 TYR CD2 . 25757 1 865 . 1 1 101 101 TYR CE1 C 13 118.159 0.027 . 1 . . . A 99 TYR CE1 . 25757 1 866 . 1 1 101 101 TYR CE2 C 13 118.159 0.027 . 1 . . . A 99 TYR CE2 . 25757 1 867 . 1 1 101 101 TYR N N 15 115.544 0.000 . 1 . . . A 99 TYR N . 25757 1 868 . 1 1 102 102 ILE H H 1 10.267 0.009 . 1 . . . A 100 ILE H . 25757 1 869 . 1 1 102 102 ILE HA H 1 4.789 0.014 . 1 . . . A 100 ILE HA . 25757 1 870 . 1 1 102 102 ILE HB H 1 1.949 0.013 . 1 . . . A 100 ILE HB . 25757 1 871 . 1 1 102 102 ILE HG21 H 1 0.955 0.012 . 1 . . . A 100 ILE HG21 . 25757 1 872 . 1 1 102 102 ILE HG22 H 1 0.955 0.012 . 1 . . . A 100 ILE HG22 . 25757 1 873 . 1 1 102 102 ILE HG23 H 1 0.955 0.012 . 1 . . . A 100 ILE HG23 . 25757 1 874 . 1 1 102 102 ILE HD11 H 1 0.522 0.014 . 1 . . . A 100 ILE HD11 . 25757 1 875 . 1 1 102 102 ILE HD12 H 1 0.522 0.014 . 1 . . . A 100 ILE HD12 . 25757 1 876 . 1 1 102 102 ILE HD13 H 1 0.522 0.014 . 1 . . . A 100 ILE HD13 . 25757 1 877 . 1 1 102 102 ILE C C 13 175.387 0.026 . 1 . . . A 100 ILE C . 25757 1 878 . 1 1 102 102 ILE CA C 13 61.006 0.089 . 1 . . . A 100 ILE CA . 25757 1 879 . 1 1 102 102 ILE CB C 13 38.790 0.107 . 1 . . . A 100 ILE CB . 25757 1 880 . 1 1 102 102 ILE CG1 C 13 27.009 0.074 . 1 . . . A 100 ILE CG1 . 25757 1 881 . 1 1 102 102 ILE CG2 C 13 17.907 0.060 . 1 . . . A 100 ILE CG2 . 25757 1 882 . 1 1 102 102 ILE CD1 C 13 15.480 0.099 . 1 . . . A 100 ILE CD1 . 25757 1 883 . 1 1 102 102 ILE N N 15 127.078 0.000 . 1 . . . A 100 ILE N . 25757 1 884 . 1 1 103 103 SER H H 1 8.985 0.010 . 1 . . . A 101 SER H . 25757 1 885 . 1 1 103 103 SER HA H 1 4.417 0.007 . 1 . . . A 101 SER HA . 25757 1 886 . 1 1 103 103 SER HB2 H 1 4.046 0.025 . 2 . . . A 101 SER HB3 . 25757 1 887 . 1 1 103 103 SER HB3 H 1 3.992 0.019 . 2 . . . A 101 SER HB3 . 25757 1 888 . 1 1 103 103 SER C C 13 175.360 0.000 . 1 . . . A 101 SER C . 25757 1 889 . 1 1 103 103 SER CA C 13 56.036 0.132 . 1 . . . A 101 SER CA . 25757 1 890 . 1 1 103 103 SER CB C 13 66.896 0.000 . 1 . . . A 101 SER CB . 25757 1 891 . 1 1 103 103 SER N N 15 124.102 0.000 . 1 . . . A 101 SER N . 25757 1 892 . 1 1 104 104 ALA H H 1 9.269 0.004 . 1 . . . A 102 ALA H . 25757 1 893 . 1 1 104 104 ALA HA H 1 3.744 0.000 . 1 . . . A 102 ALA HA . 25757 1 894 . 1 1 104 104 ALA HB1 H 1 0.735 0.000 . 1 . . . A 102 ALA HB1 . 25757 1 895 . 1 1 104 104 ALA HB2 H 1 0.735 0.000 . 1 . . . A 102 ALA HB2 . 25757 1 896 . 1 1 104 104 ALA HB3 H 1 0.735 0.000 . 1 . . . A 102 ALA HB3 . 25757 1 897 . 1 1 104 104 ALA C C 13 179.175 0.000 . 1 . . . A 102 ALA C . 25757 1 898 . 1 1 104 104 ALA CA C 13 56.290 0.122 . 1 . . . A 102 ALA CA . 25757 1 899 . 1 1 104 104 ALA CB C 13 18.027 0.000 . 1 . . . A 102 ALA CB . 25757 1 900 . 1 1 104 104 ALA N N 15 122.780 0.000 . 1 . . . A 102 ALA N . 25757 1 901 . 1 1 105 105 ALA H H 1 8.321 0.002 . 1 . . . A 103 ALA H . 25757 1 902 . 1 1 105 105 ALA HA H 1 4.011 0.000 . 1 . . . A 103 ALA HA . 25757 1 903 . 1 1 105 105 ALA HB1 H 1 1.390 0.027 . 1 . . . A 103 ALA HB1 . 25757 1 904 . 1 1 105 105 ALA HB2 H 1 1.390 0.027 . 1 . . . A 103 ALA HB2 . 25757 1 905 . 1 1 105 105 ALA HB3 H 1 1.390 0.027 . 1 . . . A 103 ALA HB3 . 25757 1 906 . 1 1 105 105 ALA C C 13 181.521 0.028 . 1 . . . A 103 ALA C . 25757 1 907 . 1 1 105 105 ALA CA C 13 55.354 0.076 . 1 . . . A 103 ALA CA . 25757 1 908 . 1 1 105 105 ALA CB C 13 18.291 0.182 . 1 . . . A 103 ALA CB . 25757 1 909 . 1 1 105 105 ALA N N 15 118.513 0.000 . 1 . . . A 103 ALA N . 25757 1 910 . 1 1 106 106 GLU H H 1 7.867 0.016 . 1 . . . A 104 GLU H . 25757 1 911 . 1 1 106 106 GLU HA H 1 4.006 0.014 . 1 . . . A 104 GLU HA . 25757 1 912 . 1 1 106 106 GLU HB2 H 1 2.484 0.027 . 2 . . . A 104 GLU HB3 . 25757 1 913 . 1 1 106 106 GLU HB3 H 1 2.376 0.000 . 2 . . . A 104 GLU HB3 . 25757 1 914 . 1 1 106 106 GLU C C 13 179.750 0.009 . 1 . . . A 104 GLU C . 25757 1 915 . 1 1 106 106 GLU CA C 13 59.169 0.113 . 1 . . . A 104 GLU CA . 25757 1 916 . 1 1 106 106 GLU CB C 13 29.215 0.000 . 1 . . . A 104 GLU CB . 25757 1 917 . 1 1 106 106 GLU N N 15 119.550 0.000 . 1 . . . A 104 GLU N . 25757 1 918 . 1 1 107 107 LEU H H 1 8.746 0.010 . 1 . . . A 105 LEU H . 25757 1 919 . 1 1 107 107 LEU HA H 1 3.918 0.016 . 1 . . . A 105 LEU HA . 25757 1 920 . 1 1 107 107 LEU HB2 H 1 1.769 0.008 . 2 . . . A 105 LEU HB3 . 25757 1 921 . 1 1 107 107 LEU HB3 H 1 1.402 0.015 . 2 . . . A 105 LEU HB3 . 25757 1 922 . 1 1 107 107 LEU HD11 H 1 0.486 0.014 . 2 . . . A 105 LEU HD11 . 25757 1 923 . 1 1 107 107 LEU HD12 H 1 0.486 0.014 . 2 . . . A 105 LEU HD12 . 25757 1 924 . 1 1 107 107 LEU HD13 H 1 0.486 0.014 . 2 . . . A 105 LEU HD13 . 25757 1 925 . 1 1 107 107 LEU HD21 H 1 0.654 0.023 . 2 . . . A 105 LEU HD21 . 25757 1 926 . 1 1 107 107 LEU HD22 H 1 0.654 0.023 . 2 . . . A 105 LEU HD22 . 25757 1 927 . 1 1 107 107 LEU HD23 H 1 0.654 0.023 . 2 . . . A 105 LEU HD23 . 25757 1 928 . 1 1 107 107 LEU C C 13 178.233 0.019 . 1 . . . A 105 LEU C . 25757 1 929 . 1 1 107 107 LEU CA C 13 57.734 0.113 . 1 . . . A 105 LEU CA . 25757 1 930 . 1 1 107 107 LEU CB C 13 42.020 0.113 . 1 . . . A 105 LEU CB . 25757 1 931 . 1 1 107 107 LEU CD1 C 13 23.373 0.131 . 2 . . . A 105 LEU CD1 . 25757 1 932 . 1 1 107 107 LEU CD2 C 13 26.077 0.019 . 2 . . . A 105 LEU CD2 . 25757 1 933 . 1 1 107 107 LEU N N 15 122.688 0.000 . 1 . . . A 105 LEU N . 25757 1 934 . 1 1 108 108 ARG H H 1 8.684 0.005 . 1 . . . A 106 ARG H . 25757 1 935 . 1 1 108 108 ARG HA H 1 3.650 0.015 . 1 . . . A 106 ARG HA . 25757 1 936 . 1 1 108 108 ARG HB3 H 1 1.577 0.000 . 1 . . . A 106 ARG HB3 . 25757 1 937 . 1 1 108 108 ARG HG3 H 1 1.907 0.012 . 1 . . . A 106 ARG HG3 . 25757 1 938 . 1 1 108 108 ARG HD3 H 1 3.163 0.011 . 1 . . . A 106 ARG HD3 . 25757 1 939 . 1 1 108 108 ARG C C 13 178.742 0.000 . 1 . . . A 106 ARG C . 25757 1 940 . 1 1 108 108 ARG CA C 13 59.963 0.000 . 1 . . . A 106 ARG CA . 25757 1 941 . 1 1 108 108 ARG CB C 13 30.046 0.000 . 1 . . . A 106 ARG CB . 25757 1 942 . 1 1 108 108 ARG CG C 13 27.903 0.000 . 1 . . . A 106 ARG CG . 25757 1 943 . 1 1 108 108 ARG CD C 13 43.649 0.000 . 1 . . . A 106 ARG CD . 25757 1 944 . 1 1 108 108 ARG N N 15 118.835 0.000 . 1 . . . A 106 ARG N . 25757 1 945 . 1 1 109 109 HIS H H 1 7.691 0.014 . 1 . . . A 107 HIS H . 25757 1 946 . 1 1 109 109 HIS HA H 1 4.267 0.000 . 1 . . . A 107 HIS HA . 25757 1 947 . 1 1 109 109 HIS HB2 H 1 3.288 0.000 . 2 . . . A 107 HIS HB2 . 25757 1 948 . 1 1 109 109 HIS HB3 H 1 3.174 0.000 . 2 . . . A 107 HIS HB3 . 25757 1 949 . 1 1 109 109 HIS C C 13 177.244 0.009 . 1 . . . A 107 HIS C . 25757 1 950 . 1 1 109 109 HIS CA C 13 60.152 0.038 . 1 . . . A 107 HIS CA . 25757 1 951 . 1 1 109 109 HIS CB C 13 30.575 0.076 . 1 . . . A 107 HIS CB . 25757 1 952 . 1 1 109 109 HIS N N 15 119.258 0.000 . 1 . . . A 107 HIS N . 25757 1 953 . 1 1 110 110 VAL H H 1 7.599 0.006 . 1 . . . A 108 VAL H . 25757 1 954 . 1 1 110 110 VAL HA H 1 3.438 0.013 . 1 . . . A 108 VAL HA . 25757 1 955 . 1 1 110 110 VAL HB H 1 1.780 0.022 . 1 . . . A 108 VAL HB . 25757 1 956 . 1 1 110 110 VAL HG11 H 1 0.128 0.017 . 2 . . . A 108 VAL HG11 . 25757 1 957 . 1 1 110 110 VAL HG12 H 1 0.128 0.017 . 2 . . . A 108 VAL HG12 . 25757 1 958 . 1 1 110 110 VAL HG13 H 1 0.128 0.017 . 2 . . . A 108 VAL HG13 . 25757 1 959 . 1 1 110 110 VAL HG21 H 1 0.581 0.015 . 2 . . . A 108 VAL HG21 . 25757 1 960 . 1 1 110 110 VAL HG22 H 1 0.581 0.015 . 2 . . . A 108 VAL HG22 . 25757 1 961 . 1 1 110 110 VAL HG23 H 1 0.581 0.015 . 2 . . . A 108 VAL HG23 . 25757 1 962 . 1 1 110 110 VAL C C 13 177.998 0.028 . 1 . . . A 108 VAL C . 25757 1 963 . 1 1 110 110 VAL CA C 13 66.431 0.132 . 1 . . . A 108 VAL CA . 25757 1 964 . 1 1 110 110 VAL CB C 13 31.424 0.121 . 1 . . . A 108 VAL CB . 25757 1 965 . 1 1 110 110 VAL CG1 C 13 20.177 0.071 . 2 . . . A 108 VAL CG1 . 25757 1 966 . 1 1 110 110 VAL CG2 C 13 22.735 0.112 . 2 . . . A 108 VAL CG2 . 25757 1 967 . 1 1 110 110 VAL N N 15 118.996 0.000 . 1 . . . A 108 VAL N . 25757 1 968 . 1 1 111 111 MET H H 1 7.911 0.011 . 1 . . . A 109 MET H . 25757 1 969 . 1 1 111 111 MET HE1 H 1 1.719 0.004 . 1 . . . A 109 MET HE1 . 25757 1 970 . 1 1 111 111 MET HE2 H 1 1.719 0.004 . 1 . . . A 109 MET HE2 . 25757 1 971 . 1 1 111 111 MET HE3 H 1 1.719 0.004 . 1 . . . A 109 MET HE3 . 25757 1 972 . 1 1 111 111 MET C C 13 179.119 0.019 . 1 . . . A 109 MET C . 25757 1 973 . 1 1 111 111 MET CA C 13 56.979 0.038 . 1 . . . A 109 MET CA . 25757 1 974 . 1 1 111 111 MET CB C 13 29.253 0.113 . 1 . . . A 109 MET CB . 25757 1 975 . 1 1 111 111 MET CE C 13 16.098 0.020 . 1 . . . A 109 MET CE . 25757 1 976 . 1 1 111 111 MET N N 15 114.880 0.000 . 1 . . . A 109 MET N . 25757 1 977 . 1 1 112 112 THR H H 1 8.353 0.015 . 1 . . . A 110 THR H . 25757 1 978 . 1 1 112 112 THR HA H 1 4.229 0.000 . 1 . . . A 110 THR HA . 25757 1 979 . 1 1 112 112 THR HB H 1 4.000 0.009 . 1 . . . A 110 THR HB . 25757 1 980 . 1 1 112 112 THR HG21 H 1 1.143 0.015 . 1 . . . A 110 THR HG21 . 25757 1 981 . 1 1 112 112 THR HG22 H 1 1.143 0.015 . 1 . . . A 110 THR HG22 . 25757 1 982 . 1 1 112 112 THR HG23 H 1 1.143 0.015 . 1 . . . A 110 THR HG23 . 25757 1 983 . 1 1 112 112 THR C C 13 178.506 0.009 . 1 . . . A 110 THR C . 25757 1 984 . 1 1 112 112 THR CA C 13 66.573 0.113 . 1 . . . A 110 THR CA . 25757 1 985 . 1 1 112 112 THR CB C 13 68.575 0.076 . 1 . . . A 110 THR CB . 25757 1 986 . 1 1 112 112 THR CG2 C 13 21.671 0.046 . 1 . . . A 110 THR CG2 . 25757 1 987 . 1 1 112 112 THR N N 15 116.943 0.000 . 1 . . . A 110 THR N . 25757 1 988 . 1 1 113 113 ASN H H 1 8.053 0.009 . 1 . . . A 111 ASN H . 25757 1 989 . 1 1 113 113 ASN HA H 1 4.362 0.000 . 1 . . . A 111 ASN HA . 25757 1 990 . 1 1 113 113 ASN HB2 H 1 2.922 0.005 . 2 . . . A 111 ASN HB3 . 25757 1 991 . 1 1 113 113 ASN HB3 H 1 2.754 0.008 . 2 . . . A 111 ASN HB3 . 25757 1 992 . 1 1 113 113 ASN C C 13 177.197 0.019 . 1 . . . A 111 ASN C . 25757 1 993 . 1 1 113 113 ASN CA C 13 55.959 0.000 . 1 . . . A 111 ASN CA . 25757 1 994 . 1 1 113 113 ASN CB C 13 37.223 0.000 . 1 . . . A 111 ASN CB . 25757 1 995 . 1 1 113 113 ASN N N 15 123.829 0.000 . 1 . . . A 111 ASN N . 25757 1 996 . 1 1 114 114 LEU H H 1 7.794 0.015 . 1 . . . A 112 LEU H . 25757 1 997 . 1 1 114 114 LEU HA H 1 4.170 0.012 . 1 . . . A 112 LEU HA . 25757 1 998 . 1 1 114 114 LEU HB2 H 1 1.767 0.009 . 2 . . . A 112 LEU HB3 . 25757 1 999 . 1 1 114 114 LEU HB3 H 1 1.550 0.018 . 2 . . . A 112 LEU HB3 . 25757 1 1000 . 1 1 114 114 LEU HD11 H 1 0.678 0.008 . 2 . . . A 112 LEU HD11 . 25757 1 1001 . 1 1 114 114 LEU HD12 H 1 0.678 0.008 . 2 . . . A 112 LEU HD12 . 25757 1 1002 . 1 1 114 114 LEU HD13 H 1 0.678 0.008 . 2 . . . A 112 LEU HD13 . 25757 1 1003 . 1 1 114 114 LEU HD21 H 1 0.631 0.012 . 2 . . . A 112 LEU HD21 . 25757 1 1004 . 1 1 114 114 LEU HD22 H 1 0.631 0.012 . 2 . . . A 112 LEU HD22 . 25757 1 1005 . 1 1 114 114 LEU HD23 H 1 0.631 0.012 . 2 . . . A 112 LEU HD23 . 25757 1 1006 . 1 1 114 114 LEU C C 13 176.377 0.028 . 1 . . . A 112 LEU C . 25757 1 1007 . 1 1 114 114 LEU CA C 13 55.505 0.000 . 1 . . . A 112 LEU CA . 25757 1 1008 . 1 1 114 114 LEU CB C 13 42.360 0.000 . 1 . . . A 112 LEU CB . 25757 1 1009 . 1 1 114 114 LEU CD1 C 13 23.283 0.005 . 2 . . . A 112 LEU CD1 . 25757 1 1010 . 1 1 114 114 LEU CD2 C 13 25.654 0.000 . 2 . . . A 112 LEU CD2 . 25757 1 1011 . 1 1 114 114 LEU N N 15 119.036 0.000 . 1 . . . A 112 LEU N . 25757 1 1012 . 1 1 115 115 GLY H H 1 7.741 0.005 . 1 . . . A 113 GLY H . 25757 1 1013 . 1 1 115 115 GLY HA2 H 1 4.169 0.004 . 2 . . . A 113 GLY HA2 . 25757 1 1014 . 1 1 115 115 GLY HA3 H 1 3.644 0.013 . 2 . . . A 113 GLY HA3 . 25757 1 1015 . 1 1 115 115 GLY C C 13 174.248 0.009 . 1 . . . A 113 GLY C . 25757 1 1016 . 1 1 115 115 GLY CA C 13 45.307 0.076 . 1 . . . A 113 GLY CA . 25757 1 1017 . 1 1 115 115 GLY N N 15 106.045 0.000 . 1 . . . A 113 GLY N . 25757 1 1018 . 1 1 116 116 GLU H H 1 7.980 0.012 . 1 . . . A 114 GLU H . 25757 1 1019 . 1 1 116 116 GLU HA H 1 4.310 0.010 . 1 . . . A 114 GLU HA . 25757 1 1020 . 1 1 116 116 GLU HB3 H 1 1.563 0.014 . 1 . . . A 114 GLU HB3 . 25757 1 1021 . 1 1 116 116 GLU HG3 H 1 1.872 0.000 . 1 . . . A 114 GLU HG3 . 25757 1 1022 . 1 1 116 116 GLU C C 13 174.993 0.000 . 1 . . . A 114 GLU C . 25757 1 1023 . 1 1 116 116 GLU CA C 13 54.637 0.113 . 1 . . . A 114 GLU CA . 25757 1 1024 . 1 1 116 116 GLU CB C 13 31.217 0.038 . 1 . . . A 114 GLU CB . 25757 1 1025 . 1 1 116 116 GLU CG C 13 35.551 0.000 . 1 . . . A 114 GLU CG . 25757 1 1026 . 1 1 116 116 GLU N N 15 120.556 0.000 . 1 . . . A 114 GLU N . 25757 1 1027 . 1 1 117 117 LYS H H 1 8.613 0.007 . 1 . . . A 115 LYS H . 25757 1 1028 . 1 1 117 117 LYS HA H 1 4.334 0.000 . 1 . . . A 115 LYS HA . 25757 1 1029 . 1 1 117 117 LYS HB2 H 1 1.691 0.000 . 2 . . . A 115 LYS HB3 . 25757 1 1030 . 1 1 117 117 LYS HB3 H 1 1.603 0.002 . 2 . . . A 115 LYS HB3 . 25757 1 1031 . 1 1 117 117 LYS HG2 H 1 1.317 0.007 . 2 . . . A 115 LYS HG3 . 25757 1 1032 . 1 1 117 117 LYS HG3 H 1 1.258 0.014 . 2 . . . A 115 LYS HG3 . 25757 1 1033 . 1 1 117 117 LYS HE3 H 1 2.898 0.000 . 1 . . . A 115 LYS HE3 . 25757 1 1034 . 1 1 117 117 LYS C C 13 175.285 0.066 . 1 . . . A 115 LYS C . 25757 1 1035 . 1 1 117 117 LYS CA C 13 55.581 0.076 . 1 . . . A 115 LYS CA . 25757 1 1036 . 1 1 117 117 LYS CB C 13 31.973 0.113 . 1 . . . A 115 LYS CB . 25757 1 1037 . 1 1 117 117 LYS N N 15 124.986 0.000 . 1 . . . A 115 LYS N . 25757 1 1038 . 1 1 118 118 LEU H H 1 8.066 0.005 . 1 . . . A 116 LEU H . 25757 1 1039 . 1 1 118 118 LEU HA H 1 4.688 0.005 . 1 . . . A 116 LEU HA . 25757 1 1040 . 1 1 118 118 LEU HB2 H 1 1.569 0.019 . 2 . . . A 116 LEU HB3 . 25757 1 1041 . 1 1 118 118 LEU HB3 H 1 1.390 0.003 . 2 . . . A 116 LEU HB3 . 25757 1 1042 . 1 1 118 118 LEU HD11 H 1 0.637 0.006 . 2 . . . A 116 LEU HD11 . 25757 1 1043 . 1 1 118 118 LEU HD12 H 1 0.637 0.006 . 2 . . . A 116 LEU HD12 . 25757 1 1044 . 1 1 118 118 LEU HD13 H 1 0.637 0.006 . 2 . . . A 116 LEU HD13 . 25757 1 1045 . 1 1 118 118 LEU HD21 H 1 0.662 0.008 . 2 . . . A 116 LEU HD21 . 25757 1 1046 . 1 1 118 118 LEU HD22 H 1 0.662 0.008 . 2 . . . A 116 LEU HD22 . 25757 1 1047 . 1 1 118 118 LEU HD23 H 1 0.662 0.008 . 2 . . . A 116 LEU HD23 . 25757 1 1048 . 1 1 118 118 LEU C C 13 178.365 0.019 . 1 . . . A 116 LEU C . 25757 1 1049 . 1 1 118 118 LEU CA C 13 54.348 0.136 . 1 . . . A 116 LEU CA . 25757 1 1050 . 1 1 118 118 LEU CB C 13 44.289 0.067 . 1 . . . A 116 LEU CB . 25757 1 1051 . 1 1 118 118 LEU CD1 C 13 27.080 0.091 . 2 . . . A 116 LEU CD1 . 25757 1 1052 . 1 1 118 118 LEU CD2 C 13 24.443 0.124 . 2 . . . A 116 LEU CD2 . 25757 1 1053 . 1 1 118 118 LEU N N 15 125.243 0.000 . 1 . . . A 116 LEU N . 25757 1 1054 . 1 1 119 119 THR H H 1 9.228 0.015 . 1 . . . A 117 THR H . 25757 1 1055 . 1 1 119 119 THR HA H 1 4.713 0.011 . 1 . . . A 117 THR HA . 25757 1 1056 . 1 1 119 119 THR HB H 1 4.425 0.004 . 1 . . . A 117 THR HB . 25757 1 1057 . 1 1 119 119 THR HG21 H 1 1.285 0.022 . 1 . . . A 117 THR HG21 . 25757 1 1058 . 1 1 119 119 THR HG22 H 1 1.285 0.022 . 1 . . . A 117 THR HG22 . 25757 1 1059 . 1 1 119 119 THR HG23 H 1 1.285 0.022 . 1 . . . A 117 THR HG23 . 25757 1 1060 . 1 1 119 119 THR C C 13 175.539 0.000 . 1 . . . A 117 THR C . 25757 1 1061 . 1 1 119 119 THR CA C 13 60.756 0.189 . 1 . . . A 117 THR CA . 25757 1 1062 . 1 1 119 119 THR CB C 13 71.144 0.076 . 1 . . . A 117 THR CB . 25757 1 1063 . 1 1 119 119 THR CG2 C 13 21.767 0.063 . 1 . . . A 117 THR CG2 . 25757 1 1064 . 1 1 119 119 THR N N 15 114.324 0.000 . 1 . . . A 117 THR N . 25757 1 1065 . 1 1 120 120 ASP H H 1 8.919 0.011 . 1 . . . A 118 ASP H . 25757 1 1066 . 1 1 120 120 ASP HA H 1 4.155 0.008 . 1 . . . A 118 ASP HA . 25757 1 1067 . 1 1 120 120 ASP N N 15 121.016 0.000 . 1 . . . A 118 ASP N . 25757 1 1068 . 1 1 121 121 GLU H H 1 8.919 0.000 . 1 . . . A 119 GLU H . 25757 1 1069 . 1 1 121 121 GLU C C 13 179.204 0.013 . 1 . . . A 119 GLU C . 25757 1 1070 . 1 1 121 121 GLU CA C 13 58.070 0.004 . 1 . . . A 119 GLU CA . 25757 1 1071 . 1 1 121 121 GLU CB C 13 29.044 0.000 . 1 . . . A 119 GLU CB . 25757 1 1072 . 1 1 121 121 GLU CG C 13 36.732 0.169 . 1 . . . A 119 GLU CG . 25757 1 1073 . 1 1 121 121 GLU N N 15 121.016 0.000 . 1 . . . A 119 GLU N . 25757 1 1074 . 1 1 122 122 GLU H H 1 7.732 0.012 . 1 . . . A 120 GLU H . 25757 1 1075 . 1 1 122 122 GLU HA H 1 4.001 0.000 . 1 . . . A 120 GLU HA . 25757 1 1076 . 1 1 122 122 GLU HB2 H 1 1.891 0.000 . 2 . . . A 120 GLU HB3 . 25757 1 1077 . 1 1 122 122 GLU HB3 H 1 1.929 0.000 . 2 . . . A 120 GLU HB3 . 25757 1 1078 . 1 1 122 122 GLU HG2 H 1 2.347 0.000 . 2 . . . A 120 GLU HG3 . 25757 1 1079 . 1 1 122 122 GLU HG3 H 1 2.204 0.000 . 2 . . . A 120 GLU HG3 . 25757 1 1080 . 1 1 122 122 GLU C C 13 180.329 0.013 . 1 . . . A 120 GLU C . 25757 1 1081 . 1 1 122 122 GLU CA C 13 59.091 0.114 . 1 . . . A 120 GLU CA . 25757 1 1082 . 1 1 122 122 GLU CB C 13 30.638 0.000 . 1 . . . A 120 GLU CB . 25757 1 1083 . 1 1 122 122 GLU CG C 13 38.138 0.000 . 1 . . . A 120 GLU CG . 25757 1 1084 . 1 1 122 122 GLU N N 15 120.566 0.000 . 1 . . . A 120 GLU N . 25757 1 1085 . 1 1 123 123 VAL H H 1 8.104 0.004 . 1 . . . A 121 VAL H . 25757 1 1086 . 1 1 123 123 VAL HA H 1 3.465 0.020 . 1 . . . A 121 VAL HA . 25757 1 1087 . 1 1 123 123 VAL HB H 1 2.185 0.000 . 1 . . . A 121 VAL HB . 25757 1 1088 . 1 1 123 123 VAL HG11 H 1 1.004 0.016 . 2 . . . A 121 VAL HG11 . 25757 1 1089 . 1 1 123 123 VAL HG12 H 1 1.004 0.016 . 2 . . . A 121 VAL HG12 . 25757 1 1090 . 1 1 123 123 VAL HG13 H 1 1.004 0.016 . 2 . . . A 121 VAL HG13 . 25757 1 1091 . 1 1 123 123 VAL HG21 H 1 0.878 0.023 . 2 . . . A 121 VAL HG21 . 25757 1 1092 . 1 1 123 123 VAL HG22 H 1 0.878 0.023 . 2 . . . A 121 VAL HG22 . 25757 1 1093 . 1 1 123 123 VAL HG23 H 1 0.878 0.023 . 2 . . . A 121 VAL HG23 . 25757 1 1094 . 1 1 123 123 VAL C C 13 177.477 0.027 . 1 . . . A 121 VAL C . 25757 1 1095 . 1 1 123 123 VAL CA C 13 67.171 0.114 . 1 . . . A 121 VAL CA . 25757 1 1096 . 1 1 123 123 VAL CB C 13 31.434 0.114 . 1 . . . A 121 VAL CB . 25757 1 1097 . 1 1 123 123 VAL CG1 C 13 23.854 0.000 . 2 . . . A 121 VAL CG1 . 25757 1 1098 . 1 1 123 123 VAL CG2 C 13 22.617 0.000 . 2 . . . A 121 VAL CG2 . 25757 1 1099 . 1 1 123 123 VAL N N 15 121.875 0.000 . 1 . . . A 121 VAL N . 25757 1 1100 . 1 1 124 124 ASP H H 1 8.089 0.004 . 1 . . . A 122 ASP H . 25757 1 1101 . 1 1 124 124 ASP HA H 1 4.335 0.020 . 1 . . . A 122 ASP HA . 25757 1 1102 . 1 1 124 124 ASP HB2 H 1 2.794 0.000 . 2 . . . A 122 ASP HB3 . 25757 1 1103 . 1 1 124 124 ASP HB3 H 1 2.672 0.021 . 2 . . . A 122 ASP HB3 . 25757 1 1104 . 1 1 124 124 ASP C C 13 179.298 0.000 . 1 . . . A 122 ASP C . 25757 1 1105 . 1 1 124 124 ASP CA C 13 57.839 0.000 . 1 . . . A 122 ASP CA . 25757 1 1106 . 1 1 124 124 ASP CB C 13 40.312 0.000 . 1 . . . A 122 ASP CB . 25757 1 1107 . 1 1 124 124 ASP N N 15 120.566 0.000 . 1 . . . A 122 ASP N . 25757 1 1108 . 1 1 125 125 GLU H H 1 8.105 0.004 . 1 . . . A 123 GLU H . 25757 1 1109 . 1 1 125 125 GLU HA H 1 4.049 0.000 . 1 . . . A 123 GLU HA . 25757 1 1110 . 1 1 125 125 GLU HB3 H 1 2.138 0.000 . 1 . . . A 123 GLU HB3 . 25757 1 1111 . 1 1 125 125 GLU HG3 H 1 2.356 0.000 . 1 . . . A 123 GLU HG3 . 25757 1 1112 . 1 1 125 125 GLU C C 13 178.749 0.013 . 1 . . . A 123 GLU C . 25757 1 1113 . 1 1 125 125 GLU CA C 13 59.318 0.000 . 1 . . . A 123 GLU CA . 25757 1 1114 . 1 1 125 125 GLU CB C 13 29.386 0.114 . 1 . . . A 123 GLU CB . 25757 1 1115 . 1 1 125 125 GLU N N 15 119.821 0.000 . 1 . . . A 123 GLU N . 25757 1 1116 . 1 1 126 126 MET H H 1 7.726 0.003 . 1 . . . A 124 MET H . 25757 1 1117 . 1 1 126 126 MET HE1 H 1 0.633 0.005 . 1 . . . A 124 MET HE1 . 25757 1 1118 . 1 1 126 126 MET HE2 H 1 0.633 0.005 . 1 . . . A 124 MET HE2 . 25757 1 1119 . 1 1 126 126 MET HE3 H 1 0.633 0.005 . 1 . . . A 124 MET HE3 . 25757 1 1120 . 1 1 126 126 MET C C 13 180.865 0.013 . 1 . . . A 124 MET C . 25757 1 1121 . 1 1 126 126 MET CA C 13 60.684 0.000 . 1 . . . A 124 MET CA . 25757 1 1122 . 1 1 126 126 MET CB C 13 33.141 0.000 . 1 . . . A 124 MET CB . 25757 1 1123 . 1 1 126 126 MET CE C 13 15.581 0.003 . 1 . . . A 124 MET CE . 25757 1 1124 . 1 1 126 126 MET N N 15 119.288 0.107 . 1 . . . A 124 MET N . 25757 1 1125 . 1 1 127 127 ILE HA H 1 3.729 0.025 . 1 . . . A 125 ILE HA . 25757 1 1126 . 1 1 127 127 ILE HB H 1 2.367 0.014 . 1 . . . A 125 ILE HB . 25757 1 1127 . 1 1 127 127 ILE HG12 H 1 1.465 0.002 . 2 . . . A 125 ILE HG13 . 25757 1 1128 . 1 1 127 127 ILE HG13 H 1 1.593 0.009 . 2 . . . A 125 ILE HG13 . 25757 1 1129 . 1 1 127 127 ILE HG21 H 1 0.707 0.005 . 1 . . . A 125 ILE HG21 . 25757 1 1130 . 1 1 127 127 ILE HG22 H 1 0.707 0.005 . 1 . . . A 125 ILE HG22 . 25757 1 1131 . 1 1 127 127 ILE HG23 H 1 0.707 0.005 . 1 . . . A 125 ILE HG23 . 25757 1 1132 . 1 1 127 127 ILE HD11 H 1 0.723 0.015 . 1 . . . A 125 ILE HD11 . 25757 1 1133 . 1 1 127 127 ILE HD12 H 1 0.723 0.015 . 1 . . . A 125 ILE HD12 . 25757 1 1134 . 1 1 127 127 ILE HD13 H 1 0.723 0.015 . 1 . . . A 125 ILE HD13 . 25757 1 1135 . 1 1 127 127 ILE C C 13 177.341 0.000 . 1 . . . A 125 ILE C . 25757 1 1136 . 1 1 127 127 ILE CA C 13 63.801 0.145 . 1 . . . A 125 ILE CA . 25757 1 1137 . 1 1 127 127 ILE CB C 13 35.565 0.073 . 1 . . . A 125 ILE CB . 25757 1 1138 . 1 1 127 127 ILE CG1 C 13 27.404 0.034 . 1 . . . A 125 ILE CG1 . 25757 1 1139 . 1 1 127 127 ILE CG2 C 13 16.190 0.099 . 1 . . . A 125 ILE CG2 . 25757 1 1140 . 1 1 127 127 ILE CD1 C 13 10.244 0.042 . 1 . . . A 125 ILE CD1 . 25757 1 1141 . 1 1 128 128 ARG H H 1 8.380 0.005 . 1 . . . A 126 ARG H . 25757 1 1142 . 1 1 128 128 ARG C C 13 179.164 0.000 . 1 . . . A 126 ARG C . 25757 1 1143 . 1 1 128 128 ARG CA C 13 59.924 0.000 . 1 . . . A 126 ARG CA . 25757 1 1144 . 1 1 128 128 ARG CB C 13 29.865 0.000 . 1 . . . A 126 ARG CB . 25757 1 1145 . 1 1 128 128 ARG N N 15 118.555 0.013 . 1 . . . A 126 ARG N . 25757 1 1146 . 1 1 129 129 GLU HA H 1 3.925 0.000 . 1 . . . A 127 GLU HA . 25757 1 1147 . 1 1 129 129 GLU HB2 H 1 2.329 0.015 . 2 . . . A 127 GLU HB3 . 25757 1 1148 . 1 1 129 129 GLU HB3 H 1 2.113 0.019 . 2 . . . A 127 GLU HB3 . 25757 1 1149 . 1 1 129 129 GLU HG2 H 1 2.583 0.008 . 2 . . . A 127 GLU HG3 . 25757 1 1150 . 1 1 129 129 GLU HG3 H 1 2.556 0.000 . 2 . . . A 127 GLU HG3 . 25757 1 1151 . 1 1 129 129 GLU CA C 13 59.057 0.000 . 1 . . . A 127 GLU CA . 25757 1 1152 . 1 1 129 129 GLU CB C 13 30.828 0.000 . 1 . . . A 127 GLU CB . 25757 1 1153 . 1 1 129 129 GLU CG C 13 36.676 0.000 . 1 . . . A 127 GLU CG . 25757 1 1154 . 1 1 130 130 ALA H H 1 7.152 0.008 . 1 . . . A 128 ALA H . 25757 1 1155 . 1 1 130 130 ALA HA H 1 4.417 0.007 . 1 . . . A 128 ALA HA . 25757 1 1156 . 1 1 130 130 ALA HB1 H 1 1.146 0.017 . 1 . . . A 128 ALA HB1 . 25757 1 1157 . 1 1 130 130 ALA HB2 H 1 1.146 0.017 . 1 . . . A 128 ALA HB2 . 25757 1 1158 . 1 1 130 130 ALA HB3 H 1 1.146 0.017 . 1 . . . A 128 ALA HB3 . 25757 1 1159 . 1 1 130 130 ALA C C 13 177.885 0.009 . 1 . . . A 128 ALA C . 25757 1 1160 . 1 1 130 130 ALA CA C 13 51.955 0.000 . 1 . . . A 128 ALA CA . 25757 1 1161 . 1 1 130 130 ALA CB C 13 22.567 0.000 . 1 . . . A 128 ALA CB . 25757 1 1162 . 1 1 130 130 ALA N N 15 116.764 0.000 . 1 . . . A 128 ALA N . 25757 1 1163 . 1 1 131 131 ASP H H 1 8.007 0.005 . 1 . . . A 129 ASP H . 25757 1 1164 . 1 1 131 131 ASP HA H 1 4.477 0.018 . 1 . . . A 129 ASP HA . 25757 1 1165 . 1 1 131 131 ASP HB3 H 1 2.560 0.015 . 1 . . . A 129 ASP HB3 . 25757 1 1166 . 1 1 131 131 ASP C C 13 175.935 0.000 . 1 . . . A 129 ASP C . 25757 1 1167 . 1 1 131 131 ASP CA C 13 54.515 0.008 . 1 . . . A 129 ASP CA . 25757 1 1168 . 1 1 131 131 ASP CB C 13 40.745 0.127 . 1 . . . A 129 ASP CB . 25757 1 1169 . 1 1 131 131 ASP N N 15 117.762 0.046 . 1 . . . A 129 ASP N . 25757 1 1170 . 1 1 132 132 ILE H H 1 8.412 0.012 . 1 . . . A 130 ILE H . 25757 1 1171 . 1 1 132 132 ILE HA H 1 3.864 0.019 . 1 . . . A 130 ILE HA . 25757 1 1172 . 1 1 132 132 ILE HB H 1 1.920 0.008 . 1 . . . A 130 ILE HB . 25757 1 1173 . 1 1 132 132 ILE HG12 H 1 1.181 0.019 . 2 . . . A 130 ILE HG13 . 25757 1 1174 . 1 1 132 132 ILE HG13 H 1 1.618 0.023 . 2 . . . A 130 ILE HG13 . 25757 1 1175 . 1 1 132 132 ILE HG21 H 1 0.863 0.006 . 1 . . . A 130 ILE HG21 . 25757 1 1176 . 1 1 132 132 ILE HG22 H 1 0.863 0.006 . 1 . . . A 130 ILE HG22 . 25757 1 1177 . 1 1 132 132 ILE HG23 H 1 0.863 0.006 . 1 . . . A 130 ILE HG23 . 25757 1 1178 . 1 1 132 132 ILE HD11 H 1 0.815 0.017 . 1 . . . A 130 ILE HD11 . 25757 1 1179 . 1 1 132 132 ILE HD12 H 1 0.815 0.017 . 1 . . . A 130 ILE HD12 . 25757 1 1180 . 1 1 132 132 ILE HD13 H 1 0.815 0.017 . 1 . . . A 130 ILE HD13 . 25757 1 1181 . 1 1 132 132 ILE C C 13 177.764 0.000 . 1 . . . A 130 ILE C . 25757 1 1182 . 1 1 132 132 ILE CA C 13 63.548 0.123 . 1 . . . A 130 ILE CA . 25757 1 1183 . 1 1 132 132 ILE CB C 13 38.648 0.126 . 1 . . . A 130 ILE CB . 25757 1 1184 . 1 1 132 132 ILE CG1 C 13 27.854 0.162 . 1 . . . A 130 ILE CG1 . 25757 1 1185 . 1 1 132 132 ILE CG2 C 13 17.260 0.083 . 1 . . . A 130 ILE CG2 . 25757 1 1186 . 1 1 132 132 ILE CD1 C 13 12.630 0.064 . 1 . . . A 130 ILE CD1 . 25757 1 1187 . 1 1 132 132 ILE N N 15 128.249 0.000 . 1 . . . A 130 ILE N . 25757 1 1188 . 1 1 133 133 ASP H H 1 8.254 0.010 . 1 . . . A 131 ASP H . 25757 1 1189 . 1 1 133 133 ASP HA H 1 4.534 0.000 . 1 . . . A 131 ASP HA . 25757 1 1190 . 1 1 133 133 ASP HB2 H 1 3.020 0.022 . 2 . . . A 131 ASP HB3 . 25757 1 1191 . 1 1 133 133 ASP HB3 H 1 2.628 0.005 . 2 . . . A 131 ASP HB3 . 25757 1 1192 . 1 1 133 133 ASP C C 13 178.313 0.026 . 1 . . . A 131 ASP C . 25757 1 1193 . 1 1 133 133 ASP CA C 13 53.884 0.208 . 1 . . . A 131 ASP CA . 25757 1 1194 . 1 1 133 133 ASP CB C 13 39.962 0.000 . 1 . . . A 131 ASP CB . 25757 1 1195 . 1 1 133 133 ASP N N 15 116.430 0.000 . 1 . . . A 131 ASP N . 25757 1 1196 . 1 1 134 134 GLY H H 1 7.547 0.012 . 1 . . . A 132 GLY H . 25757 1 1197 . 1 1 134 134 GLY HA2 H 1 3.964 0.010 . 2 . . . A 132 GLY HA2 . 25757 1 1198 . 1 1 134 134 GLY HA3 H 1 3.793 0.013 . 2 . . . A 132 GLY HA3 . 25757 1 1199 . 1 1 134 134 GLY C C 13 175.211 0.007 . 1 . . . A 132 GLY C . 25757 1 1200 . 1 1 134 134 GLY CA C 13 47.603 0.032 . 1 . . . A 132 GLY CA . 25757 1 1201 . 1 1 134 134 GLY N N 15 108.460 0.058 . 1 . . . A 132 GLY N . 25757 1 1202 . 1 1 135 135 ASP H H 1 8.339 0.009 . 1 . . . A 133 ASP H . 25757 1 1203 . 1 1 135 135 ASP HA H 1 4.463 0.004 . 1 . . . A 133 ASP HA . 25757 1 1204 . 1 1 135 135 ASP HB2 H 1 2.879 0.026 . 2 . . . A 133 ASP HB3 . 25757 1 1205 . 1 1 135 135 ASP HB3 H 1 2.468 0.012 . 2 . . . A 133 ASP HB3 . 25757 1 1206 . 1 1 135 135 ASP C C 13 177.691 0.031 . 1 . . . A 133 ASP C . 25757 1 1207 . 1 1 135 135 ASP CA C 13 53.814 0.029 . 1 . . . A 133 ASP CA . 25757 1 1208 . 1 1 135 135 ASP CB C 13 40.298 0.022 . 1 . . . A 133 ASP CB . 25757 1 1209 . 1 1 135 135 ASP N N 15 120.909 0.000 . 1 . . . A 133 ASP N . 25757 1 1210 . 1 1 136 136 GLY H H 1 10.396 0.006 . 1 . . . A 134 GLY H . 25757 1 1211 . 1 1 136 136 GLY HA2 H 1 3.998 0.009 . 2 . . . A 134 GLY HA2 . 25757 1 1212 . 1 1 136 136 GLY HA3 H 1 3.391 0.016 . 2 . . . A 134 GLY HA3 . 25757 1 1213 . 1 1 136 136 GLY C C 13 172.722 0.026 . 1 . . . A 134 GLY C . 25757 1 1214 . 1 1 136 136 GLY CA C 13 46.037 0.066 . 1 . . . A 134 GLY CA . 25757 1 1215 . 1 1 136 136 GLY N N 15 112.704 0.000 . 1 . . . A 134 GLY N . 25757 1 1216 . 1 1 137 137 GLN H H 1 7.975 0.015 . 1 . . . A 135 GLN H . 25757 1 1217 . 1 1 137 137 GLN HA H 1 4.864 0.012 . 1 . . . A 135 GLN HA . 25757 1 1218 . 1 1 137 137 GLN HB3 H 1 1.701 0.010 . 1 . . . A 135 GLN HB3 . 25757 1 1219 . 1 1 137 137 GLN HG3 H 1 1.942 0.004 . 1 . . . A 135 GLN HG3 . 25757 1 1220 . 1 1 137 137 GLN C C 13 174.760 0.026 . 1 . . . A 135 GLN C . 25757 1 1221 . 1 1 137 137 GLN CA C 13 53.321 0.066 . 1 . . . A 135 GLN CA . 25757 1 1222 . 1 1 137 137 GLN CB C 13 32.065 0.000 . 1 . . . A 135 GLN CB . 25757 1 1223 . 1 1 137 137 GLN N N 15 114.799 0.000 . 1 . . . A 135 GLN N . 25757 1 1224 . 1 1 138 138 VAL H H 1 9.169 0.012 . 1 . . . A 136 VAL H . 25757 1 1225 . 1 1 138 138 VAL HA H 1 5.208 0.028 . 1 . . . A 136 VAL HA . 25757 1 1226 . 1 1 138 138 VAL HB H 1 2.464 0.022 . 1 . . . A 136 VAL HB . 25757 1 1227 . 1 1 138 138 VAL HG11 H 1 1.093 0.005 . 2 . . . A 136 VAL HG11 . 25757 1 1228 . 1 1 138 138 VAL HG12 H 1 1.093 0.005 . 2 . . . A 136 VAL HG12 . 25757 1 1229 . 1 1 138 138 VAL HG13 H 1 1.093 0.005 . 2 . . . A 136 VAL HG13 . 25757 1 1230 . 1 1 138 138 VAL HG21 H 1 1.274 0.018 . 2 . . . A 136 VAL HG21 . 25757 1 1231 . 1 1 138 138 VAL HG22 H 1 1.274 0.018 . 2 . . . A 136 VAL HG22 . 25757 1 1232 . 1 1 138 138 VAL HG23 H 1 1.274 0.018 . 2 . . . A 136 VAL HG23 . 25757 1 1233 . 1 1 138 138 VAL C C 13 175.831 0.052 . 1 . . . A 136 VAL C . 25757 1 1234 . 1 1 138 138 VAL CA C 13 61.817 0.168 . 1 . . . A 136 VAL CA . 25757 1 1235 . 1 1 138 138 VAL CB C 13 33.674 0.086 . 1 . . . A 136 VAL CB . 25757 1 1236 . 1 1 138 138 VAL CG1 C 13 22.456 0.216 . 2 . . . A 136 VAL CG1 . 25757 1 1237 . 1 1 138 138 VAL CG2 C 13 21.909 0.006 . 2 . . . A 136 VAL CG2 . 25757 1 1238 . 1 1 138 138 VAL N N 15 125.364 0.000 . 1 . . . A 136 VAL N . 25757 1 1239 . 1 1 139 139 ASN H H 1 9.652 0.009 . 1 . . . A 137 ASN H . 25757 1 1240 . 1 1 139 139 ASN HB3 H 1 3.293 0.008 . 1 . . . A 137 ASN HB3 . 25757 1 1241 . 1 1 139 139 ASN C C 13 174.737 0.004 . 1 . . . A 137 ASN C . 25757 1 1242 . 1 1 139 139 ASN CA C 13 51.351 0.050 . 1 . . . A 137 ASN CA . 25757 1 1243 . 1 1 139 139 ASN CB C 13 38.323 0.033 . 1 . . . A 137 ASN CB . 25757 1 1244 . 1 1 139 139 ASN N N 15 129.155 0.000 . 1 . . . A 137 ASN N . 25757 1 1245 . 1 1 140 140 TYR H H 1 8.460 0.020 . 1 . . . A 138 TYR H . 25757 1 1246 . 1 1 140 140 TYR HA H 1 3.279 0.014 . 1 . . . A 138 TYR HA . 25757 1 1247 . 1 1 140 140 TYR HB2 H 1 2.322 0.017 . 2 . . . A 138 TYR HB3 . 25757 1 1248 . 1 1 140 140 TYR HB3 H 1 2.027 0.010 . 2 . . . A 138 TYR HB3 . 25757 1 1249 . 1 1 140 140 TYR HD1 H 1 6.274 0.006 . 1 . . . A 138 TYR HD1 . 25757 1 1250 . 1 1 140 140 TYR HD2 H 1 6.274 0.006 . 1 . . . A 138 TYR HD2 . 25757 1 1251 . 1 1 140 140 TYR HE1 H 1 6.480 0.014 . 1 . . . A 138 TYR HE1 . 25757 1 1252 . 1 1 140 140 TYR HE2 H 1 6.480 0.014 . 1 . . . A 138 TYR HE2 . 25757 1 1253 . 1 1 140 140 TYR C C 13 176.174 0.008 . 1 . . . A 138 TYR C . 25757 1 1254 . 1 1 140 140 TYR CA C 13 62.574 0.070 . 1 . . . A 138 TYR CA . 25757 1 1255 . 1 1 140 140 TYR CB C 13 37.730 0.070 . 1 . . . A 138 TYR CB . 25757 1 1256 . 1 1 140 140 TYR CD1 C 13 132.139 0.000 . 1 . . . A 138 TYR CD1 . 25757 1 1257 . 1 1 140 140 TYR CD2 C 13 132.139 0.000 . 1 . . . A 138 TYR CD2 . 25757 1 1258 . 1 1 140 140 TYR CE1 C 13 117.977 0.020 . 1 . . . A 138 TYR CE1 . 25757 1 1259 . 1 1 140 140 TYR CE2 C 13 117.977 0.020 . 1 . . . A 138 TYR CE2 . 25757 1 1260 . 1 1 140 140 TYR N N 15 118.504 0.002 . 1 . . . A 138 TYR N . 25757 1 1261 . 1 1 141 141 GLU H H 1 8.136 0.013 . 1 . . . A 139 GLU H . 25757 1 1262 . 1 1 141 141 GLU HA H 1 3.548 0.010 . 1 . . . A 139 GLU HA . 25757 1 1263 . 1 1 141 141 GLU HB3 H 1 1.996 0.017 . 1 . . . A 139 GLU HB3 . 25757 1 1264 . 1 1 141 141 GLU HG3 H 1 2.280 0.000 . 1 . . . A 139 GLU HG3 . 25757 1 1265 . 1 1 141 141 GLU C C 13 180.265 0.008 . 1 . . . A 139 GLU C . 25757 1 1266 . 1 1 141 141 GLU CA C 13 60.486 0.070 . 1 . . . A 139 GLU CA . 25757 1 1267 . 1 1 141 141 GLU CB C 13 28.991 0.152 . 1 . . . A 139 GLU CB . 25757 1 1268 . 1 1 141 141 GLU CG C 13 36.563 0.000 . 1 . . . A 139 GLU CG . 25757 1 1269 . 1 1 141 141 GLU N N 15 118.644 0.000 . 1 . . . A 139 GLU N . 25757 1 1270 . 1 1 142 142 GLU H H 1 8.798 0.014 . 1 . . . A 140 GLU H . 25757 1 1271 . 1 1 142 142 GLU HA H 1 3.888 0.015 . 1 . . . A 140 GLU HA . 25757 1 1272 . 1 1 142 142 GLU HB2 H 1 2.376 0.000 . 2 . . . A 140 GLU HB3 . 25757 1 1273 . 1 1 142 142 GLU HB3 H 1 2.138 0.000 . 2 . . . A 140 GLU HB3 . 25757 1 1274 . 1 1 142 142 GLU HG2 H 1 2.821 0.021 . 2 . . . A 140 GLU HG3 . 25757 1 1275 . 1 1 142 142 GLU HG3 H 1 2.452 0.025 . 2 . . . A 140 GLU HG3 . 25757 1 1276 . 1 1 142 142 GLU C C 13 179.627 0.033 . 1 . . . A 140 GLU C . 25757 1 1277 . 1 1 142 142 GLU CA C 13 58.677 0.000 . 1 . . . A 140 GLU CA . 25757 1 1278 . 1 1 142 142 GLU CB C 13 29.727 0.000 . 1 . . . A 140 GLU CB . 25757 1 1279 . 1 1 142 142 GLU CG C 13 37.351 0.000 . 1 . . . A 140 GLU CG . 25757 1 1280 . 1 1 142 142 GLU N N 15 120.030 0.000 . 1 . . . A 140 GLU N . 25757 1 1281 . 1 1 143 143 PHE H H 1 8.633 0.009 . 1 . . . A 141 PHE H . 25757 1 1282 . 1 1 143 143 PHE HA H 1 3.697 0.021 . 1 . . . A 141 PHE HA . 25757 1 1283 . 1 1 143 143 PHE HB2 H 1 3.367 0.016 . 2 . . . A 141 PHE HB3 . 25757 1 1284 . 1 1 143 143 PHE HB3 H 1 3.227 0.015 . 2 . . . A 141 PHE HB3 . 25757 1 1285 . 1 1 143 143 PHE HD1 H 1 7.080 0.015 . 1 . . . A 141 PHE HD1 . 25757 1 1286 . 1 1 143 143 PHE HD2 H 1 7.080 0.015 . 1 . . . A 141 PHE HD2 . 25757 1 1287 . 1 1 143 143 PHE HE1 H 1 7.591 0.018 . 1 . . . A 141 PHE HE1 . 25757 1 1288 . 1 1 143 143 PHE HE2 H 1 7.591 0.018 . 1 . . . A 141 PHE HE2 . 25757 1 1289 . 1 1 143 143 PHE C C 13 176.952 0.025 . 1 . . . A 141 PHE C . 25757 1 1290 . 1 1 143 143 PHE CA C 13 62.052 0.035 . 1 . . . A 141 PHE CA . 25757 1 1291 . 1 1 143 143 PHE CB C 13 40.131 0.035 . 1 . . . A 141 PHE CB . 25757 1 1292 . 1 1 143 143 PHE CD1 C 13 131.998 0.155 . 1 . . . A 141 PHE CD1 . 25757 1 1293 . 1 1 143 143 PHE CD2 C 13 131.998 0.155 . 1 . . . A 141 PHE CD2 . 25757 1 1294 . 1 1 143 143 PHE CE1 C 13 131.945 0.177 . 1 . . . A 141 PHE CE1 . 25757 1 1295 . 1 1 143 143 PHE CE2 C 13 131.945 0.177 . 1 . . . A 141 PHE CE2 . 25757 1 1296 . 1 1 143 143 PHE N N 15 123.154 0.000 . 1 . . . A 141 PHE N . 25757 1 1297 . 1 1 144 144 VAL H H 1 8.894 0.012 . 1 . . . A 142 VAL H . 25757 1 1298 . 1 1 144 144 VAL HA H 1 2.956 0.020 . 1 . . . A 142 VAL HA . 25757 1 1299 . 1 1 144 144 VAL HB H 1 1.747 0.015 . 1 . . . A 142 VAL HB . 25757 1 1300 . 1 1 144 144 VAL HG11 H 1 0.343 0.016 . 2 . . . A 142 VAL HG11 . 25757 1 1301 . 1 1 144 144 VAL HG12 H 1 0.343 0.016 . 2 . . . A 142 VAL HG12 . 25757 1 1302 . 1 1 144 144 VAL HG13 H 1 0.343 0.016 . 2 . . . A 142 VAL HG13 . 25757 1 1303 . 1 1 144 144 VAL HG21 H 1 0.638 0.015 . 2 . . . A 142 VAL HG21 . 25757 1 1304 . 1 1 144 144 VAL HG22 H 1 0.638 0.015 . 2 . . . A 142 VAL HG22 . 25757 1 1305 . 1 1 144 144 VAL HG23 H 1 0.638 0.015 . 2 . . . A 142 VAL HG23 . 25757 1 1306 . 1 1 144 144 VAL C C 13 179.627 0.017 . 1 . . . A 142 VAL C . 25757 1 1307 . 1 1 144 144 VAL CA C 13 67.243 0.061 . 1 . . . A 142 VAL CA . 25757 1 1308 . 1 1 144 144 VAL CB C 13 31.140 0.071 . 1 . . . A 142 VAL CB . 25757 1 1309 . 1 1 144 144 VAL CG1 C 13 23.326 0.019 . 2 . . . A 142 VAL CG1 . 25757 1 1310 . 1 1 144 144 VAL CG2 C 13 21.645 0.136 . 2 . . . A 142 VAL CG2 . 25757 1 1311 . 1 1 144 144 VAL N N 15 120.046 0.000 . 1 . . . A 142 VAL N . 25757 1 1312 . 1 1 145 145 GLN H H 1 7.627 0.012 . 1 . . . A 143 GLN H . 25757 1 1313 . 1 1 145 145 GLN HA H 1 3.776 0.026 . 1 . . . A 143 GLN HA . 25757 1 1314 . 1 1 145 145 GLN HB2 H 1 2.332 0.015 . 2 . . . A 143 GLN HB3 . 25757 1 1315 . 1 1 145 145 GLN HB3 H 1 1.986 0.000 . 2 . . . A 143 GLN HB3 . 25757 1 1316 . 1 1 145 145 GLN C C 13 178.443 0.008 . 1 . . . A 143 GLN C . 25757 1 1317 . 1 1 145 145 GLN CA C 13 59.129 0.035 . 1 . . . A 143 GLN CA . 25757 1 1318 . 1 1 145 145 GLN CB C 13 27.743 0.035 . 1 . . . A 143 GLN CB . 25757 1 1319 . 1 1 145 145 GLN CG C 13 33.752 0.000 . 1 . . . A 143 GLN CG . 25757 1 1320 . 1 1 145 145 GLN N N 15 118.996 0.000 . 1 . . . A 143 GLN N . 25757 1 1321 . 1 1 146 146 MET H H 1 7.179 0.014 . 1 . . . A 144 MET H . 25757 1 1322 . 1 1 146 146 MET HA H 1 4.169 0.004 . 1 . . . A 144 MET HA . 25757 1 1323 . 1 1 146 146 MET HB2 H 1 1.686 0.012 . 2 . . . A 144 MET HB3 . 25757 1 1324 . 1 1 146 146 MET HB3 H 1 1.467 0.008 . 2 . . . A 144 MET HB3 . 25757 1 1325 . 1 1 146 146 MET HG2 H 1 1.109 0.021 . 2 . . . A 144 MET HG3 . 25757 1 1326 . 1 1 146 146 MET HG3 H 1 0.675 0.009 . 2 . . . A 144 MET HG3 . 25757 1 1327 . 1 1 146 146 MET HE1 H 1 1.855 0.012 . 1 . . . A 144 MET HE1 . 25757 1 1328 . 1 1 146 146 MET HE2 H 1 1.855 0.012 . 1 . . . A 144 MET HE2 . 25757 1 1329 . 1 1 146 146 MET HE3 H 1 1.855 0.012 . 1 . . . A 144 MET HE3 . 25757 1 1330 . 1 1 146 146 MET C C 13 178.418 0.000 . 1 . . . A 144 MET C . 25757 1 1331 . 1 1 146 146 MET CA C 13 56.137 0.104 . 1 . . . A 144 MET CA . 25757 1 1332 . 1 1 146 146 MET CB C 13 31.095 0.033 . 1 . . . A 144 MET CB . 25757 1 1333 . 1 1 146 146 MET CE C 13 19.554 0.006 . 1 . . . A 144 MET CE . 25757 1 1334 . 1 1 146 146 MET N N 15 116.361 0.098 . 1 . . . A 144 MET N . 25757 1 1335 . 1 1 147 147 MET H H 1 7.776 0.011 . 1 . . . A 145 MET H . 25757 1 1336 . 1 1 147 147 MET HA H 1 4.334 0.000 . 1 . . . A 145 MET HA . 25757 1 1337 . 1 1 147 147 MET HG3 H 1 1.520 0.000 . 1 . . . A 145 MET HG3 . 25757 1 1338 . 1 1 147 147 MET HE1 H 1 2.032 0.001 . 1 . . . A 145 MET HE1 . 25757 1 1339 . 1 1 147 147 MET HE2 H 1 2.032 0.001 . 1 . . . A 145 MET HE2 . 25757 1 1340 . 1 1 147 147 MET HE3 H 1 2.032 0.001 . 1 . . . A 145 MET HE3 . 25757 1 1341 . 1 1 147 147 MET C C 13 177.217 0.008 . 1 . . . A 145 MET C . 25757 1 1342 . 1 1 147 147 MET CA C 13 55.296 0.086 . 1 . . . A 145 MET CA . 25757 1 1343 . 1 1 147 147 MET CB C 13 34.458 0.002 . 1 . . . A 145 MET CB . 25757 1 1344 . 1 1 147 147 MET CG C 13 32.852 0.000 . 1 . . . A 145 MET CG . 25757 1 1345 . 1 1 147 147 MET CE C 13 16.889 0.000 . 1 . . . A 145 MET CE . 25757 1 1346 . 1 1 147 147 MET N N 15 115.373 0.000 . 1 . . . A 145 MET N . 25757 1 1347 . 1 1 148 148 THR H H 1 7.736 0.008 . 1 . . . A 146 THR H . 25757 1 1348 . 1 1 148 148 THR HA H 1 4.239 0.022 . 1 . . . A 146 THR HA . 25757 1 1349 . 1 1 148 148 THR HB H 1 4.412 0.000 . 1 . . . A 146 THR HB . 25757 1 1350 . 1 1 148 148 THR HG21 H 1 1.036 0.017 . 1 . . . A 146 THR HG21 . 25757 1 1351 . 1 1 148 148 THR HG22 H 1 1.036 0.017 . 1 . . . A 146 THR HG22 . 25757 1 1352 . 1 1 148 148 THR HG23 H 1 1.036 0.017 . 1 . . . A 146 THR HG23 . 25757 1 1353 . 1 1 148 148 THR C C 13 175.378 0.041 . 1 . . . A 146 THR C . 25757 1 1354 . 1 1 148 148 THR CA C 13 61.625 0.145 . 1 . . . A 146 THR CA . 25757 1 1355 . 1 1 148 148 THR CB C 13 70.817 0.025 . 1 . . . A 146 THR CB . 25757 1 1356 . 1 1 148 148 THR CG2 C 13 21.686 0.213 . 1 . . . A 146 THR CG2 . 25757 1 1357 . 1 1 148 148 THR N N 15 107.988 0.142 . 1 . . . A 146 THR N . 25757 1 1358 . 1 1 149 149 GLY H H 1 7.793 0.004 . 1 . . . A 147 GLY H . 25757 1 1359 . 1 1 149 149 GLY C C 13 174.046 0.000 . 1 . . . A 147 GLY C . 25757 1 1360 . 1 1 149 149 GLY CA C 13 45.544 0.000 . 1 . . . A 147 GLY CA . 25757 1 1361 . 1 1 149 149 GLY N N 15 110.157 0.000 . 1 . . . A 147 GLY N . 25757 1 1362 . 1 1 152 152 THR HA H 1 4.239 0.000 . 1 . . . A 150 THR HA . 25757 1 1363 . 1 1 152 152 THR HG21 H 1 1.165 0.013 . 1 . . . A 150 THR HG21 . 25757 1 1364 . 1 1 152 152 THR HG22 H 1 1.165 0.013 . 1 . . . A 150 THR HG22 . 25757 1 1365 . 1 1 152 152 THR HG23 H 1 1.165 0.013 . 1 . . . A 150 THR HG23 . 25757 1 1366 . 1 1 152 152 THR C C 13 174.397 0.000 . 1 . . . A 150 THR C . 25757 1 1367 . 1 1 152 152 THR CA C 13 61.260 0.106 . 1 . . . A 150 THR CA . 25757 1 1368 . 1 1 152 152 THR CB C 13 70.358 0.000 . 1 . . . A 150 THR CB . 25757 1 1369 . 1 1 152 152 THR CG2 C 13 22.394 0.078 . 1 . . . A 150 THR CG2 . 25757 1 1370 . 1 1 153 153 ALA H H 1 8.618 0.008 . 1 . . . A 151 ALA H . 25757 1 1371 . 1 1 153 153 ALA HA H 1 4.288 0.013 . 1 . . . A 151 ALA HA . 25757 1 1372 . 1 1 153 153 ALA HB1 H 1 1.368 0.018 . 1 . . . A 151 ALA HB1 . 25757 1 1373 . 1 1 153 153 ALA HB2 H 1 1.368 0.018 . 1 . . . A 151 ALA HB2 . 25757 1 1374 . 1 1 153 153 ALA HB3 H 1 1.368 0.018 . 1 . . . A 151 ALA HB3 . 25757 1 1375 . 1 1 153 153 ALA C C 13 177.678 0.013 . 1 . . . A 151 ALA C . 25757 1 1376 . 1 1 153 153 ALA CA C 13 52.148 0.000 . 1 . . . A 151 ALA CA . 25757 1 1377 . 1 1 153 153 ALA CB C 13 19.419 0.040 . 1 . . . A 151 ALA CB . 25757 1 1378 . 1 1 153 153 ALA N N 15 126.304 0.000 . 1 . . . A 151 ALA N . 25757 1 1379 . 1 1 154 154 ALA H H 1 8.354 0.009 . 1 . . . A 152 ALA H . 25757 1 1380 . 1 1 154 154 ALA HA H 1 4.118 0.003 . 1 . . . A 152 ALA HA . 25757 1 1381 . 1 1 154 154 ALA HB1 H 1 1.349 0.022 . 1 . . . A 152 ALA HB1 . 25757 1 1382 . 1 1 154 154 ALA HB2 H 1 1.349 0.022 . 1 . . . A 152 ALA HB2 . 25757 1 1383 . 1 1 154 154 ALA HB3 H 1 1.349 0.022 . 1 . . . A 152 ALA HB3 . 25757 1 1384 . 1 1 154 154 ALA C C 13 178.823 0.007 . 1 . . . A 152 ALA C . 25757 1 1385 . 1 1 154 154 ALA CA C 13 53.494 0.020 . 1 . . . A 152 ALA CA . 25757 1 1386 . 1 1 154 154 ALA CB C 13 18.757 0.242 . 1 . . . A 152 ALA CB . 25757 1 1387 . 1 1 154 154 ALA N N 15 123.861 0.000 . 1 . . . A 152 ALA N . 25757 1 1388 . 1 1 155 155 GLY H H 1 9.028 0.006 . 1 . . . A 153 GLY H . 25757 1 1389 . 1 1 155 155 GLY HA2 H 1 4.001 0.000 . 2 . . . A 153 GLY HA2 . 25757 1 1390 . 1 1 155 155 GLY HA3 H 1 4.020 0.000 . 2 . . . A 153 GLY HA3 . 25757 1 1391 . 1 1 155 155 GLY C C 13 174.389 0.021 . 1 . . . A 153 GLY C . 25757 1 1392 . 1 1 155 155 GLY CA C 13 45.131 0.000 . 1 . . . A 153 GLY CA . 25757 1 1393 . 1 1 155 155 GLY N N 15 109.984 0.000 . 1 . . . A 153 GLY N . 25757 1 1394 . 1 1 156 156 SER H H 1 7.962 0.005 . 1 . . . A 154 SER H . 25757 1 1395 . 1 1 156 156 SER HA H 1 4.255 0.016 . 1 . . . A 154 SER HA . 25757 1 1396 . 1 1 156 156 SER HB3 H 1 3.859 0.000 . 1 . . . A 154 SER HB3 . 25757 1 1397 . 1 1 156 156 SER C C 13 177.929 0.000 . 1 . . . A 154 SER C . 25757 1 1398 . 1 1 156 156 SER CA C 13 59.379 0.125 . 1 . . . A 154 SER CA . 25757 1 1399 . 1 1 156 156 SER CB C 13 64.090 0.039 . 1 . . . A 154 SER CB . 25757 1 1400 . 1 1 156 156 SER N N 15 113.934 0.000 . 1 . . . A 154 SER N . 25757 1 1401 . 1 1 157 157 GLY H H 1 9.451 0.011 . 1 . . . A 155 GLY H . 25757 1 1402 . 1 1 157 157 GLY HA2 H 1 3.955 0.007 . 2 . . . A 155 GLY HA2 . 25757 1 1403 . 1 1 157 157 GLY HA3 H 1 3.722 0.013 . 2 . . . A 155 GLY HA3 . 25757 1 1404 . 1 1 157 157 GLY C C 13 175.891 0.000 . 1 . . . A 155 GLY C . 25757 1 1405 . 1 1 157 157 GLY CA C 13 47.646 0.037 . 1 . . . A 155 GLY CA . 25757 1 1406 . 1 1 157 157 GLY N N 15 115.337 0.000 . 1 . . . A 155 GLY N . 25757 1 1407 . 1 1 158 158 TRP H H 1 8.542 0.013 . 1 . . . A 156 TRP H . 25757 1 1408 . 1 1 158 158 TRP HA H 1 4.271 0.019 . 1 . . . A 156 TRP HA . 25757 1 1409 . 1 1 158 158 TRP HB2 H 1 3.084 0.010 . 2 . . . A 156 TRP HB3 . 25757 1 1410 . 1 1 158 158 TRP HB3 H 1 3.121 0.021 . 2 . . . A 156 TRP HB3 . 25757 1 1411 . 1 1 158 158 TRP HD1 H 1 7.719 0.013 . 1 . . . A 156 TRP HD1 . 25757 1 1412 . 1 1 158 158 TRP HE1 H 1 10.911 0.011 . 1 . . . A 156 TRP HE1 . 25757 1 1413 . 1 1 158 158 TRP HE3 H 1 7.315 0.013 . 1 . . . A 156 TRP HE3 . 25757 1 1414 . 1 1 158 158 TRP HZ2 H 1 7.056 0.018 . 1 . . . A 156 TRP HZ2 . 25757 1 1415 . 1 1 158 158 TRP HZ3 H 1 6.952 0.014 . 1 . . . A 156 TRP HZ3 . 25757 1 1416 . 1 1 158 158 TRP HH2 H 1 7.003 0.027 . 1 . . . A 156 TRP HH2 . 25757 1 1417 . 1 1 158 158 TRP C C 13 178.947 0.011 . 1 . . . A 156 TRP C . 25757 1 1418 . 1 1 158 158 TRP CA C 13 60.164 0.083 . 1 . . . A 156 TRP CA . 25757 1 1419 . 1 1 158 158 TRP CB C 13 29.603 0.000 . 1 . . . A 156 TRP CB . 25757 1 1420 . 1 1 158 158 TRP CD1 C 13 128.690 0.039 . 1 . . . A 156 TRP CD1 . 25757 1 1421 . 1 1 158 158 TRP CE3 C 13 120.843 0.045 . 1 . . . A 156 TRP CE3 . 25757 1 1422 . 1 1 158 158 TRP CZ2 C 13 113.664 0.037 . 1 . . . A 156 TRP CZ2 . 25757 1 1423 . 1 1 158 158 TRP CZ3 C 13 120.908 0.019 . 1 . . . A 156 TRP CZ3 . 25757 1 1424 . 1 1 158 158 TRP CH2 C 13 122.445 0.040 . 1 . . . A 156 TRP CH2 . 25757 1 1425 . 1 1 158 158 TRP N N 15 119.600 0.000 . 1 . . . A 156 TRP N . 25757 1 1426 . 1 1 158 158 TRP NE1 N 15 130.476 0.000 . 1 . . . A 156 TRP NE1 . 25757 1 1427 . 1 1 159 159 ARG H H 1 7.747 0.012 . 1 . . . A 157 ARG H . 25757 1 1428 . 1 1 159 159 ARG HA H 1 3.982 0.000 . 1 . . . A 157 ARG HA . 25757 1 1429 . 1 1 159 159 ARG HB3 H 1 1.938 0.000 . 1 . . . A 157 ARG HB3 . 25757 1 1430 . 1 1 159 159 ARG HG3 H 1 1.691 0.000 . 1 . . . A 157 ARG HG3 . 25757 1 1431 . 1 1 159 159 ARG HD3 H 1 3.203 0.000 . 1 . . . A 157 ARG HD3 . 25757 1 1432 . 1 1 159 159 ARG C C 13 177.894 0.070 . 1 . . . A 157 ARG C . 25757 1 1433 . 1 1 159 159 ARG CA C 13 59.338 0.000 . 1 . . . A 157 ARG CA . 25757 1 1434 . 1 1 159 159 ARG CB C 13 30.057 0.119 . 1 . . . A 157 ARG CB . 25757 1 1435 . 1 1 159 159 ARG CG C 13 28.241 0.000 . 1 . . . A 157 ARG CG . 25757 1 1436 . 1 1 159 159 ARG CD C 13 43.649 0.000 . 1 . . . A 157 ARG CD . 25757 1 1437 . 1 1 159 159 ARG N N 15 118.583 0.000 . 1 . . . A 157 ARG N . 25757 1 1438 . 1 1 160 160 LYS H H 1 7.529 0.005 . 1 . . . A 158 LYS H . 25757 1 1439 . 1 1 160 160 LYS HA H 1 3.943 0.012 . 1 . . . A 158 LYS HA . 25757 1 1440 . 1 1 160 160 LYS HB3 H 1 1.907 0.006 . 1 . . . A 158 LYS HB3 . 25757 1 1441 . 1 1 160 160 LYS HG3 H 1 1.682 0.000 . 1 . . . A 158 LYS HG3 . 25757 1 1442 . 1 1 160 160 LYS HD3 H 1 1.387 0.000 . 1 . . . A 158 LYS HD3 . 25757 1 1443 . 1 1 160 160 LYS HE3 H 1 2.813 0.000 . 1 . . . A 158 LYS HE3 . 25757 1 1444 . 1 1 160 160 LYS C C 13 176.973 0.000 . 1 . . . A 158 LYS C . 25757 1 1445 . 1 1 160 160 LYS CA C 13 60.374 0.059 . 1 . . . A 158 LYS CA . 25757 1 1446 . 1 1 160 160 LYS CB C 13 32.291 0.059 . 1 . . . A 158 LYS CB . 25757 1 1447 . 1 1 160 160 LYS N N 15 117.033 0.000 . 1 . . . A 158 LYS N . 25757 1 1448 . 1 1 161 161 ILE H H 1 7.348 0.015 . 1 . . . A 159 ILE H . 25757 1 1449 . 1 1 161 161 ILE HA H 1 3.544 0.015 . 1 . . . A 159 ILE HA . 25757 1 1450 . 1 1 161 161 ILE HB H 1 1.976 0.017 . 1 . . . A 159 ILE HB . 25757 1 1451 . 1 1 161 161 ILE HG12 H 1 0.783 0.016 . 2 . . . A 159 ILE HG13 . 25757 1 1452 . 1 1 161 161 ILE HG13 H 1 1.562 0.008 . 2 . . . A 159 ILE HG13 . 25757 1 1453 . 1 1 161 161 ILE HG21 H 1 1.139 0.020 . 1 . . . A 159 ILE HG21 . 25757 1 1454 . 1 1 161 161 ILE HG22 H 1 1.139 0.020 . 1 . . . A 159 ILE HG22 . 25757 1 1455 . 1 1 161 161 ILE HG23 H 1 1.139 0.020 . 1 . . . A 159 ILE HG23 . 25757 1 1456 . 1 1 161 161 ILE HD11 H 1 0.389 0.018 . 1 . . . A 159 ILE HD11 . 25757 1 1457 . 1 1 161 161 ILE HD12 H 1 0.389 0.018 . 1 . . . A 159 ILE HD12 . 25757 1 1458 . 1 1 161 161 ILE HD13 H 1 0.389 0.018 . 1 . . . A 159 ILE HD13 . 25757 1 1459 . 1 1 161 161 ILE C C 13 176.894 0.000 . 1 . . . A 159 ILE C . 25757 1 1460 . 1 1 161 161 ILE CA C 13 65.516 0.181 . 1 . . . A 159 ILE CA . 25757 1 1461 . 1 1 161 161 ILE CB C 13 37.804 0.119 . 1 . . . A 159 ILE CB . 25757 1 1462 . 1 1 161 161 ILE CG1 C 13 28.991 0.028 . 1 . . . A 159 ILE CG1 . 25757 1 1463 . 1 1 161 161 ILE CG2 C 13 18.468 0.134 . 1 . . . A 159 ILE CG2 . 25757 1 1464 . 1 1 161 161 ILE CD1 C 13 13.442 0.071 . 1 . . . A 159 ILE CD1 . 25757 1 1465 . 1 1 161 161 ILE N N 15 116.553 0.098 . 1 . . . A 159 ILE N . 25757 1 1466 . 1 1 162 162 LYS H H 1 8.225 0.012 . 1 . . . A 160 LYS H . 25757 1 1467 . 1 1 162 162 LYS HA H 1 4.039 0.011 . 1 . . . A 160 LYS HA . 25757 1 1468 . 1 1 162 162 LYS HB3 H 1 1.971 0.006 . 1 . . . A 160 LYS HB3 . 25757 1 1469 . 1 1 162 162 LYS HG3 H 1 1.682 0.000 . 1 . . . A 160 LYS HG3 . 25757 1 1470 . 1 1 162 162 LYS C C 13 178.566 0.018 . 1 . . . A 160 LYS C . 25757 1 1471 . 1 1 162 162 LYS CA C 13 60.374 0.059 . 1 . . . A 160 LYS CA . 25757 1 1472 . 1 1 162 162 LYS CB C 13 32.818 0.000 . 1 . . . A 160 LYS CB . 25757 1 1473 . 1 1 162 162 LYS N N 15 119.278 0.000 . 1 . . . A 160 LYS N . 25757 1 1474 . 1 1 163 163 LEU H H 1 8.057 0.005 . 1 . . . A 161 LEU H . 25757 1 1475 . 1 1 163 163 LEU HA H 1 4.060 0.001 . 1 . . . A 161 LEU HA . 25757 1 1476 . 1 1 163 163 LEU HB3 H 1 1.995 0.000 . 1 . . . A 161 LEU HB3 . 25757 1 1477 . 1 1 163 163 LEU HD11 H 1 1.374 0.004 . 2 . . . A 161 LEU HD11 . 25757 1 1478 . 1 1 163 163 LEU HD12 H 1 1.374 0.004 . 2 . . . A 161 LEU HD12 . 25757 1 1479 . 1 1 163 163 LEU HD13 H 1 1.374 0.004 . 2 . . . A 161 LEU HD13 . 25757 1 1480 . 1 1 163 163 LEU HD21 H 1 0.878 0.020 . 2 . . . A 161 LEU HD21 . 25757 1 1481 . 1 1 163 163 LEU HD22 H 1 0.878 0.020 . 2 . . . A 161 LEU HD22 . 25757 1 1482 . 1 1 163 163 LEU HD23 H 1 0.878 0.020 . 2 . . . A 161 LEU HD23 . 25757 1 1483 . 1 1 163 163 LEU C C 13 178.977 0.000 . 1 . . . A 161 LEU C . 25757 1 1484 . 1 1 163 163 LEU CA C 13 58.024 0.185 . 1 . . . A 161 LEU CA . 25757 1 1485 . 1 1 163 163 LEU CB C 13 41.982 0.037 . 1 . . . A 161 LEU CB . 25757 1 1486 . 1 1 163 163 LEU CG C 13 27.228 0.000 . 1 . . . A 161 LEU CG . 25757 1 1487 . 1 1 163 163 LEU CD1 C 13 26.216 0.000 . 2 . . . A 161 LEU CD1 . 25757 1 1488 . 1 1 163 163 LEU CD2 C 13 23.180 0.000 . 2 . . . A 161 LEU CD2 . 25757 1 1489 . 1 1 163 163 LEU N N 15 117.056 0.007 . 1 . . . A 161 LEU N . 25757 1 1490 . 1 1 164 164 ALA H H 1 8.170 0.011 . 1 . . . A 162 ALA H . 25757 1 1491 . 1 1 164 164 ALA HA H 1 4.092 0.016 . 1 . . . A 162 ALA HA . 25757 1 1492 . 1 1 164 164 ALA HB1 H 1 1.403 0.024 . 1 . . . A 162 ALA HB1 . 25757 1 1493 . 1 1 164 164 ALA HB2 H 1 1.403 0.024 . 1 . . . A 162 ALA HB2 . 25757 1 1494 . 1 1 164 164 ALA HB3 H 1 1.403 0.024 . 1 . . . A 162 ALA HB3 . 25757 1 1495 . 1 1 164 164 ALA C C 13 178.374 0.040 . 1 . . . A 162 ALA C . 25757 1 1496 . 1 1 164 164 ALA CA C 13 55.790 0.114 . 1 . . . A 162 ALA CA . 25757 1 1497 . 1 1 164 164 ALA CB C 13 18.325 0.221 . 1 . . . A 162 ALA CB . 25757 1 1498 . 1 1 164 164 ALA N N 15 121.814 0.000 . 1 . . . A 162 ALA N . 25757 1 1499 . 1 1 165 165 VAL H H 1 8.499 0.017 . 1 . . . A 163 VAL H . 25757 1 1500 . 1 1 165 165 VAL HA H 1 3.618 0.012 . 1 . . . A 163 VAL HA . 25757 1 1501 . 1 1 165 165 VAL HB H 1 2.205 0.014 . 1 . . . A 163 VAL HB . 25757 1 1502 . 1 1 165 165 VAL HG11 H 1 0.836 0.011 . 2 . . . A 163 VAL HG11 . 25757 1 1503 . 1 1 165 165 VAL HG12 H 1 0.836 0.011 . 2 . . . A 163 VAL HG12 . 25757 1 1504 . 1 1 165 165 VAL HG13 H 1 0.836 0.011 . 2 . . . A 163 VAL HG13 . 25757 1 1505 . 1 1 165 165 VAL HG21 H 1 1.215 0.010 . 2 . . . A 163 VAL HG21 . 25757 1 1506 . 1 1 165 165 VAL HG22 H 1 1.215 0.010 . 2 . . . A 163 VAL HG22 . 25757 1 1507 . 1 1 165 165 VAL HG23 H 1 1.215 0.010 . 2 . . . A 163 VAL HG23 . 25757 1 1508 . 1 1 165 165 VAL C C 13 178.362 0.026 . 1 . . . A 163 VAL C . 25757 1 1509 . 1 1 165 165 VAL CA C 13 66.272 0.008 . 1 . . . A 163 VAL CA . 25757 1 1510 . 1 1 165 165 VAL CB C 13 32.037 0.121 . 1 . . . A 163 VAL CB . 25757 1 1511 . 1 1 165 165 VAL CG1 C 13 21.530 0.164 . 2 . . . A 163 VAL CG1 . 25757 1 1512 . 1 1 165 165 VAL CG2 C 13 24.190 0.040 . 2 . . . A 163 VAL CG2 . 25757 1 1513 . 1 1 165 165 VAL N N 15 115.449 0.000 . 1 . . . A 163 VAL N . 25757 1 1514 . 1 1 166 166 ARG H H 1 8.165 0.013 . 1 . . . A 164 ARG H . 25757 1 1515 . 1 1 166 166 ARG HA H 1 4.197 0.012 . 1 . . . A 164 ARG HA . 25757 1 1516 . 1 1 166 166 ARG HB3 H 1 1.942 0.022 . 1 . . . A 164 ARG HB3 . 25757 1 1517 . 1 1 166 166 ARG HG3 H 1 1.796 0.000 . 1 . . . A 164 ARG HG3 . 25757 1 1518 . 1 1 166 166 ARG C C 13 178.938 0.000 . 1 . . . A 164 ARG C . 25757 1 1519 . 1 1 166 166 ARG CA C 13 57.683 0.176 . 1 . . . A 164 ARG CA . 25757 1 1520 . 1 1 166 166 ARG CB C 13 29.834 0.176 . 1 . . . A 164 ARG CB . 25757 1 1521 . 1 1 166 166 ARG N N 15 115.775 0.000 . 1 . . . A 164 ARG N . 25757 1 1522 . 1 1 167 167 GLY H H 1 8.455 0.010 . 1 . . . A 165 GLY H . 25757 1 1523 . 1 1 167 167 GLY HA2 H 1 4.001 0.008 . 2 . . . A 165 GLY HA2 . 25757 1 1524 . 1 1 167 167 GLY HA3 H 1 3.671 0.026 . 2 . . . A 165 GLY HA3 . 25757 1 1525 . 1 1 167 167 GLY C C 13 173.134 0.022 . 1 . . . A 165 GLY C . 25757 1 1526 . 1 1 167 167 GLY CA C 13 46.742 0.000 . 1 . . . A 165 GLY CA . 25757 1 1527 . 1 1 167 167 GLY N N 15 105.570 0.000 . 1 . . . A 165 GLY N . 25757 1 1528 . 1 1 168 168 ALA H H 1 7.826 0.012 . 1 . . . A 166 ALA H . 25757 1 1529 . 1 1 168 168 ALA HA H 1 4.342 0.011 . 1 . . . A 166 ALA HA . 25757 1 1530 . 1 1 168 168 ALA C C 13 176.155 0.026 . 1 . . . A 166 ALA C . 25757 1 1531 . 1 1 168 168 ALA CA C 13 51.773 0.000 . 1 . . . A 166 ALA CA . 25757 1 1532 . 1 1 168 168 ALA CB C 13 19.478 0.000 . 1 . . . A 166 ALA CB . 25757 1 1533 . 1 1 168 168 ALA N N 15 120.648 0.156 . 1 . . . A 166 ALA N . 25757 1 1534 . 1 1 169 169 GLN H H 1 7.498 0.008 . 1 . . . A 167 GLN H . 25757 1 1535 . 1 1 169 169 GLN HA H 1 4.277 0.009 . 1 . . . A 167 GLN HA . 25757 1 1536 . 1 1 169 169 GLN HB2 H 1 2.090 0.000 . 2 . . . A 167 GLN HB3 . 25757 1 1537 . 1 1 169 169 GLN HB3 H 1 1.948 0.000 . 2 . . . A 167 GLN HB3 . 25757 1 1538 . 1 1 169 169 GLN HG3 H 1 2.402 0.021 . 1 . . . A 167 GLN HG3 . 25757 1 1539 . 1 1 169 169 GLN C C 13 175.571 0.000 . 1 . . . A 167 GLN C . 25757 1 1540 . 1 1 169 169 GLN CA C 13 55.927 0.059 . 1 . . . A 167 GLN CA . 25757 1 1541 . 1 1 169 169 GLN CB C 13 30.185 0.176 . 1 . . . A 167 GLN CB . 25757 1 1542 . 1 1 169 169 GLN CG C 13 33.752 0.000 . 1 . . . A 167 GLN CG . 25757 1 1543 . 1 1 169 169 GLN N N 15 117.315 0.000 . 1 . . . A 167 GLN N . 25757 1 1544 . 1 1 170 170 ALA H H 1 8.534 0.004 . 1 . . . A 168 ALA H . 25757 1 1545 . 1 1 170 170 ALA HA H 1 4.279 0.017 . 1 . . . A 168 ALA HA . 25757 1 1546 . 1 1 170 170 ALA HB1 H 1 1.340 0.011 . 1 . . . A 168 ALA HB1 . 25757 1 1547 . 1 1 170 170 ALA HB2 H 1 1.340 0.011 . 1 . . . A 168 ALA HB2 . 25757 1 1548 . 1 1 170 170 ALA HB3 H 1 1.340 0.011 . 1 . . . A 168 ALA HB3 . 25757 1 1549 . 1 1 170 170 ALA C C 13 177.227 0.014 . 1 . . . A 168 ALA C . 25757 1 1550 . 1 1 170 170 ALA CA C 13 52.066 0.059 . 1 . . . A 168 ALA CA . 25757 1 1551 . 1 1 170 170 ALA CB C 13 19.706 0.183 . 1 . . . A 168 ALA CB . 25757 1 1552 . 1 1 170 170 ALA N N 15 126.706 0.000 . 1 . . . A 168 ALA N . 25757 1 1553 . 1 1 171 171 LYS H H 1 8.344 0.006 . 1 . . . A 169 LYS H . 25757 1 1554 . 1 1 171 171 LYS HA H 1 4.201 0.000 . 1 . . . A 169 LYS HA . 25757 1 1555 . 1 1 171 171 LYS HB2 H 1 1.406 0.000 . 2 . . . A 169 LYS HB3 . 25757 1 1556 . 1 1 171 171 LYS HB3 H 1 1.670 0.017 . 2 . . . A 169 LYS HB3 . 25757 1 1557 . 1 1 171 171 LYS HE3 H 1 2.927 0.000 . 1 . . . A 169 LYS HE3 . 25757 1 1558 . 1 1 171 171 LYS C C 13 176.392 0.027 . 1 . . . A 169 LYS C . 25757 1 1559 . 1 1 171 171 LYS CA C 13 56.395 0.059 . 1 . . . A 169 LYS CA . 25757 1 1560 . 1 1 171 171 LYS CB C 13 32.935 0.117 . 1 . . . A 169 LYS CB . 25757 1 1561 . 1 1 171 171 LYS CG C 13 24.529 0.000 . 1 . . . A 169 LYS CG . 25757 1 1562 . 1 1 171 171 LYS CD C 13 29.140 0.000 . 1 . . . A 169 LYS CD . 25757 1 1563 . 1 1 171 171 LYS CE C 13 42.299 0.000 . 1 . . . A 169 LYS CE . 25757 1 1564 . 1 1 171 171 LYS N N 15 120.880 0.014 . 1 . . . A 169 LYS N . 25757 1 1565 . 1 1 172 172 ARG H H 1 8.509 0.004 . 1 . . . . 170 Arg H . 25757 1 1566 . 1 1 172 172 ARG HG2 H 1 1.853 0.000 . 1 . . . . 170 Arg HG2 . 25757 1 1567 . 1 1 172 172 ARG C C 13 175.469 0.007 . 1 . . . . 170 Arg C . 25757 1 1568 . 1 1 172 172 ARG CA C 13 56.117 0.000 . 1 . . . . 170 Arg CA . 25757 1 1569 . 1 1 172 172 ARG CB C 13 30.711 0.000 . 1 . . . . 170 Arg CB . 25757 1 1570 . 1 1 172 172 ARG N N 15 124.713 0.000 . 1 . . . . 170 Arg N . 25757 1 1571 . 1 1 173 173 LYS H H 1 8.079 0.003 . 1 . . . . 171 Lys H . 25757 1 1572 . 1 1 173 173 LYS C C 13 181.310 0.000 . 1 . . . . 171 Lys C . 25757 1 1573 . 1 1 173 173 LYS CA C 13 57.910 0.000 . 1 . . . . 171 Lys CA . 25757 1 1574 . 1 1 173 173 LYS CB C 13 33.543 0.000 . 1 . . . . 171 Lys CB . 25757 1 1575 . 1 1 173 173 LYS N N 15 128.205 0.000 . 1 . . . . 171 Lys N . 25757 1 stop_ save_