data_18942 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18942 _Entry.Title ; alpha-1 integrin I-domain in complex with GLOGEN triple helical peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-07 _Entry.Accession_date 2013-01-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yanni Chin . . . 18942 2 Stephen Headey . . . 18942 3 Biswaranjan Mohanty . . . 18942 4 Paul McEwan . . . 18942 5 James Swarbrick . . . 18942 6 Terrence Mulhern . . . 18942 7 Jonas Emsley . . . 18942 8 Jamie Simpson . . . 18942 9 Martin Scanlon . . . 18942 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' . 18942 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'alpha-1 integrin' . 18942 GLOGEN . 18942 HADDOCK . 18942 I-domain . 18942 NMR . 18942 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18942 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 740 18942 '15N chemical shifts' 189 18942 '1H chemical shifts' 1214 18942 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 . . 2014-02-17 2013-01-07 update BMRB 'update entry citation' 18942 1 . . 2013-11-08 2013-01-07 original author 'original release' 18942 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18020 'Entry contains the chemical shifts of the apo state of integrin alpha1I-domain' 18942 BMRB 18021 'Entry contains the chemical shifts of the Mg2+-bound state of integrin alpha1I-domain (no collagen ligand)' 18942 PDB 2M32 'BMRB Entry Tracking System' 18942 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18942 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24187131 _Citation.Full_citation . _Citation.Title 'The structure of integrin 1I domain in complex with a collagen-mimetic peptide.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 288 _Citation.Journal_issue 52 _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 36796 _Citation.Page_last 36809 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Yanni K-Y' Chin . . . 18942 1 2 Stephen Headey . J. . 18942 1 3 Biswaranjan Mohanty . . . 18942 1 4 Rahul Patil . . . 18942 1 5 Paul McEwan . A. . 18942 1 6 James Swarbrick . D. . 18942 1 7 Terrence Mulhern . D. . 18942 1 8 Jonas Emsley . . . 18942 1 9 Jamie Simpson . S. . 18942 1 10 Martin Scanlon . J. . 18942 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18942 _Assembly.ID 1 _Assembly.Name 'alpha-1 integrin I-domain in complex with GLOGEN triple helical peptide' _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 . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'alpha-1 integrin I-domain' 1 $entity_1 A . yes native no no . . . 18942 1 2 'GLOGEN triple helical peptide, 1' 2 $entity_2 B . no native no no . . . 18942 1 3 'GLOGEN triple helical peptide, 2' 2 $entity_2 C . no native no no . . . 18942 1 4 'GLOGEN triple helical peptide, 3' 2 $entity_2 D . no native no no . . . 18942 1 5 MG2 3 $entity_MG E . no native no no . . . 18942 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 'metal coordination' single . 5 . 3 MG 1 1 MG . 2 . 2 GLU 12 12 O . Mg na na Mg . GLOGEN 11 GLU O 18942 1 2 'metal coordination' single . 5 . 3 MG 1 1 MG . 3 . 2 GLU 12 12 O . Mg na na Mg . GLOGEN 11 GLU O 18942 1 3 'metal coordination' single . 5 . 3 MG 1 1 MG . 4 . 2 GLU 12 12 O . Mg na na Mg . GLOGEN 11 GLU O 18942 1 4 'metal coordination' single . 5 . 3 MG 1 1 MG . 1 . 1 SER 13 13 O . Mg na na Mg . A1I 13 SER O 18942 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 18942 _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 ; STQLDIVIVLDGSNSIYPWD SVTAFLNDLLERMDIGPKQT QVGIVQYGENVTHEFNLNKY SSTEEVLVAAKKIVQRGGRQ TMTALGIDTARKEAFTEARG ARRGVKKVMVIVTDGESHDN HRLKKVIQDCEDENIQRFSI AILGSYNRGNLSTEKFVEEI KSIASEPTEKHFFNVSDELA LVTIVKTLGERI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 192 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21513.508 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18020 . Integrin_Alpha1_I-domain . . . . . 100.00 192 100.00 100.00 5.22e-137 . . . . 18942 1 2 no BMRB 18021 . Integrin_Alpha1_I-domain . . . . . 100.00 192 100.00 100.00 5.22e-137 . . . . 18942 1 3 no PDB 1PT6 . "I Domain From Human Integrin Alpha1-beta1" . . . . . 100.00 213 98.96 99.48 1.43e-135 . . . . 18942 1 4 no PDB 1QC5 . "I Domain From Integrin Alpha1-beta1" . . . . . 100.00 192 99.48 100.00 1.76e-136 . . . . 18942 1 5 no PDB 1QCY . "The Crystal Structure Of The I-domain Of Human Integrin Alpha1beta1" . . . . . 99.48 193 98.43 98.95 6.61e-134 . . . . 18942 1 6 no PDB 2M32 . "Alpha-1 Integrin I-domain In Complex With Glogen Triple Helical Peptide" . . . . . 100.00 192 100.00 100.00 5.22e-137 . . . . 18942 1 7 no PDB 4A0Q . "Activated Conformation Of Integrin Alpha1 I-Domain Mutant" . . . . . 100.00 201 98.96 98.96 1.02e-135 . . . . 18942 1 8 no DBJ BAG62150 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1173 100.00 100.00 1.48e-125 . . . . 18942 1 9 no GB AAI37122 . "Integrin, alpha 1 [Homo sapiens]" . . . . . 100.00 1179 100.00 100.00 1.55e-125 . . . . 18942 1 10 no GB AAI37123 . "Integrin, alpha 1 [Homo sapiens]" . . . . . 100.00 1179 100.00 100.00 1.55e-125 . . . . 18942 1 11 no GB EAW54866 . "hCG2002731, isoform CRA_c [Homo sapiens]" . . . . . 100.00 766 100.00 100.00 3.43e-129 . . . . 18942 1 12 no GB EAW54867 . "hCG2002731, isoform CRA_d [Homo sapiens]" . . . . . 100.00 768 100.00 100.00 4.42e-129 . . . . 18942 1 13 no GB EAW54868 . "hCG2002731, isoform CRA_e [Homo sapiens]" . . . . . 100.00 1177 100.00 100.00 1.34e-125 . . . . 18942 1 14 no REF NP_852478 . "integrin alpha-1 precursor [Homo sapiens]" . . . . . 100.00 1179 100.00 100.00 1.55e-125 . . . . 18942 1 15 no REF XP_001094788 . "PREDICTED: integrin alpha-1 [Macaca mulatta]" . . . . . 100.00 1179 100.00 100.00 2.06e-125 . . . . 18942 1 16 no REF XP_002815595 . "PREDICTED: integrin alpha-1 [Pongo abelii]" . . . . . 100.00 1179 99.48 100.00 1.01e-124 . . . . 18942 1 17 no REF XP_003276564 . "PREDICTED: integrin alpha-1 [Nomascus leucogenys]" . . . . . 100.00 1179 99.48 100.00 7.51e-125 . . . . 18942 1 18 no REF XP_003827398 . "PREDICTED: integrin alpha-1 [Pan paniscus]" . . . . . 100.00 1179 100.00 100.00 1.60e-125 . . . . 18942 1 19 no SP P56199 . "RecName: Full=Integrin alpha-1; AltName: Full=CD49 antigen-like family member A; AltName: Full=Laminin and collagen receptor; A" . . . . . 100.00 1179 100.00 100.00 1.55e-125 . . . . 18942 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 . SER . 18942 1 2 . THR . 18942 1 3 . GLN . 18942 1 4 . LEU . 18942 1 5 . ASP . 18942 1 6 . ILE . 18942 1 7 . VAL . 18942 1 8 . ILE . 18942 1 9 . VAL . 18942 1 10 . LEU . 18942 1 11 . ASP . 18942 1 12 . GLY . 18942 1 13 . SER . 18942 1 14 . ASN . 18942 1 15 . SER . 18942 1 16 . ILE . 18942 1 17 . TYR . 18942 1 18 . PRO . 18942 1 19 . TRP . 18942 1 20 . ASP . 18942 1 21 . SER . 18942 1 22 . VAL . 18942 1 23 . THR . 18942 1 24 . ALA . 18942 1 25 . PHE . 18942 1 26 . LEU . 18942 1 27 . ASN . 18942 1 28 . ASP . 18942 1 29 . LEU . 18942 1 30 . LEU . 18942 1 31 . GLU . 18942 1 32 . ARG . 18942 1 33 . MET . 18942 1 34 . ASP . 18942 1 35 . ILE . 18942 1 36 . GLY . 18942 1 37 . PRO . 18942 1 38 . LYS . 18942 1 39 . GLN . 18942 1 40 . THR . 18942 1 41 . GLN . 18942 1 42 . VAL . 18942 1 43 . GLY . 18942 1 44 . ILE . 18942 1 45 . VAL . 18942 1 46 . GLN . 18942 1 47 . TYR . 18942 1 48 . GLY . 18942 1 49 . GLU . 18942 1 50 . ASN . 18942 1 51 . VAL . 18942 1 52 . THR . 18942 1 53 . HIS . 18942 1 54 . GLU . 18942 1 55 . PHE . 18942 1 56 . ASN . 18942 1 57 . LEU . 18942 1 58 . ASN . 18942 1 59 . LYS . 18942 1 60 . TYR . 18942 1 61 . SER . 18942 1 62 . SER . 18942 1 63 . THR . 18942 1 64 . GLU . 18942 1 65 . GLU . 18942 1 66 . VAL . 18942 1 67 . LEU . 18942 1 68 . VAL . 18942 1 69 . ALA . 18942 1 70 . ALA . 18942 1 71 . LYS . 18942 1 72 . LYS . 18942 1 73 . ILE . 18942 1 74 . VAL . 18942 1 75 . GLN . 18942 1 76 . ARG . 18942 1 77 . GLY . 18942 1 78 . GLY . 18942 1 79 . ARG . 18942 1 80 . GLN . 18942 1 81 . THR . 18942 1 82 . MET . 18942 1 83 . THR . 18942 1 84 . ALA . 18942 1 85 . LEU . 18942 1 86 . GLY . 18942 1 87 . ILE . 18942 1 88 . ASP . 18942 1 89 . THR . 18942 1 90 . ALA . 18942 1 91 . ARG . 18942 1 92 . LYS . 18942 1 93 . GLU . 18942 1 94 . ALA . 18942 1 95 . PHE . 18942 1 96 . THR . 18942 1 97 . GLU . 18942 1 98 . ALA . 18942 1 99 . ARG . 18942 1 100 . GLY . 18942 1 101 . ALA . 18942 1 102 . ARG . 18942 1 103 . ARG . 18942 1 104 . GLY . 18942 1 105 . VAL . 18942 1 106 . LYS . 18942 1 107 . LYS . 18942 1 108 . VAL . 18942 1 109 . MET . 18942 1 110 . VAL . 18942 1 111 . ILE . 18942 1 112 . VAL . 18942 1 113 . THR . 18942 1 114 . ASP . 18942 1 115 . GLY . 18942 1 116 . GLU . 18942 1 117 . SER . 18942 1 118 . HIS . 18942 1 119 . ASP . 18942 1 120 . ASN . 18942 1 121 . HIS . 18942 1 122 . ARG . 18942 1 123 . LEU . 18942 1 124 . LYS . 18942 1 125 . LYS . 18942 1 126 . VAL . 18942 1 127 . ILE . 18942 1 128 . GLN . 18942 1 129 . ASP . 18942 1 130 . CYS . 18942 1 131 . GLU . 18942 1 132 . ASP . 18942 1 133 . GLU . 18942 1 134 . ASN . 18942 1 135 . ILE . 18942 1 136 . GLN . 18942 1 137 . ARG . 18942 1 138 . PHE . 18942 1 139 . SER . 18942 1 140 . ILE . 18942 1 141 . ALA . 18942 1 142 . ILE . 18942 1 143 . LEU . 18942 1 144 . GLY . 18942 1 145 . SER . 18942 1 146 . TYR . 18942 1 147 . ASN . 18942 1 148 . ARG . 18942 1 149 . GLY . 18942 1 150 . ASN . 18942 1 151 . LEU . 18942 1 152 . SER . 18942 1 153 . THR . 18942 1 154 . GLU . 18942 1 155 . LYS . 18942 1 156 . PHE . 18942 1 157 . VAL . 18942 1 158 . GLU . 18942 1 159 . GLU . 18942 1 160 . ILE . 18942 1 161 . LYS . 18942 1 162 . SER . 18942 1 163 . ILE . 18942 1 164 . ALA . 18942 1 165 . SER . 18942 1 166 . GLU . 18942 1 167 . PRO . 18942 1 168 . THR . 18942 1 169 . GLU . 18942 1 170 . LYS . 18942 1 171 . HIS . 18942 1 172 . PHE . 18942 1 173 . PHE . 18942 1 174 . ASN . 18942 1 175 . VAL . 18942 1 176 . SER . 18942 1 177 . ASP . 18942 1 178 . GLU . 18942 1 179 . LEU . 18942 1 180 . ALA . 18942 1 181 . LEU . 18942 1 182 . VAL . 18942 1 183 . THR . 18942 1 184 . ILE . 18942 1 185 . VAL . 18942 1 186 . LYS . 18942 1 187 . THR . 18942 1 188 . LEU . 18942 1 189 . GLY . 18942 1 190 . GLU . 18942 1 191 . ARG . 18942 1 192 . ILE . 18942 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 . SER 1 1 18942 1 . THR 2 2 18942 1 . GLN 3 3 18942 1 . LEU 4 4 18942 1 . ASP 5 5 18942 1 . ILE 6 6 18942 1 . VAL 7 7 18942 1 . ILE 8 8 18942 1 . VAL 9 9 18942 1 . LEU 10 10 18942 1 . ASP 11 11 18942 1 . GLY 12 12 18942 1 . SER 13 13 18942 1 . ASN 14 14 18942 1 . SER 15 15 18942 1 . ILE 16 16 18942 1 . TYR 17 17 18942 1 . PRO 18 18 18942 1 . TRP 19 19 18942 1 . ASP 20 20 18942 1 . SER 21 21 18942 1 . VAL 22 22 18942 1 . THR 23 23 18942 1 . ALA 24 24 18942 1 . PHE 25 25 18942 1 . LEU 26 26 18942 1 . ASN 27 27 18942 1 . ASP 28 28 18942 1 . LEU 29 29 18942 1 . LEU 30 30 18942 1 . GLU 31 31 18942 1 . ARG 32 32 18942 1 . MET 33 33 18942 1 . ASP 34 34 18942 1 . ILE 35 35 18942 1 . GLY 36 36 18942 1 . PRO 37 37 18942 1 . LYS 38 38 18942 1 . GLN 39 39 18942 1 . THR 40 40 18942 1 . GLN 41 41 18942 1 . VAL 42 42 18942 1 . GLY 43 43 18942 1 . ILE 44 44 18942 1 . VAL 45 45 18942 1 . GLN 46 46 18942 1 . TYR 47 47 18942 1 . GLY 48 48 18942 1 . GLU 49 49 18942 1 . ASN 50 50 18942 1 . VAL 51 51 18942 1 . THR 52 52 18942 1 . HIS 53 53 18942 1 . GLU 54 54 18942 1 . PHE 55 55 18942 1 . ASN 56 56 18942 1 . LEU 57 57 18942 1 . ASN 58 58 18942 1 . LYS 59 59 18942 1 . TYR 60 60 18942 1 . SER 61 61 18942 1 . SER 62 62 18942 1 . THR 63 63 18942 1 . GLU 64 64 18942 1 . GLU 65 65 18942 1 . VAL 66 66 18942 1 . LEU 67 67 18942 1 . VAL 68 68 18942 1 . ALA 69 69 18942 1 . ALA 70 70 18942 1 . LYS 71 71 18942 1 . LYS 72 72 18942 1 . ILE 73 73 18942 1 . VAL 74 74 18942 1 . GLN 75 75 18942 1 . ARG 76 76 18942 1 . GLY 77 77 18942 1 . GLY 78 78 18942 1 . ARG 79 79 18942 1 . GLN 80 80 18942 1 . THR 81 81 18942 1 . MET 82 82 18942 1 . THR 83 83 18942 1 . ALA 84 84 18942 1 . LEU 85 85 18942 1 . GLY 86 86 18942 1 . ILE 87 87 18942 1 . ASP 88 88 18942 1 . THR 89 89 18942 1 . ALA 90 90 18942 1 . ARG 91 91 18942 1 . LYS 92 92 18942 1 . GLU 93 93 18942 1 . ALA 94 94 18942 1 . PHE 95 95 18942 1 . THR 96 96 18942 1 . GLU 97 97 18942 1 . ALA 98 98 18942 1 . ARG 99 99 18942 1 . GLY 100 100 18942 1 . ALA 101 101 18942 1 . ARG 102 102 18942 1 . ARG 103 103 18942 1 . GLY 104 104 18942 1 . VAL 105 105 18942 1 . LYS 106 106 18942 1 . LYS 107 107 18942 1 . VAL 108 108 18942 1 . MET 109 109 18942 1 . VAL 110 110 18942 1 . ILE 111 111 18942 1 . VAL 112 112 18942 1 . THR 113 113 18942 1 . ASP 114 114 18942 1 . GLY 115 115 18942 1 . GLU 116 116 18942 1 . SER 117 117 18942 1 . HIS 118 118 18942 1 . ASP 119 119 18942 1 . ASN 120 120 18942 1 . HIS 121 121 18942 1 . ARG 122 122 18942 1 . LEU 123 123 18942 1 . LYS 124 124 18942 1 . LYS 125 125 18942 1 . VAL 126 126 18942 1 . ILE 127 127 18942 1 . GLN 128 128 18942 1 . ASP 129 129 18942 1 . CYS 130 130 18942 1 . GLU 131 131 18942 1 . ASP 132 132 18942 1 . GLU 133 133 18942 1 . ASN 134 134 18942 1 . ILE 135 135 18942 1 . GLN 136 136 18942 1 . ARG 137 137 18942 1 . PHE 138 138 18942 1 . SER 139 139 18942 1 . ILE 140 140 18942 1 . ALA 141 141 18942 1 . ILE 142 142 18942 1 . LEU 143 143 18942 1 . GLY 144 144 18942 1 . SER 145 145 18942 1 . TYR 146 146 18942 1 . ASN 147 147 18942 1 . ARG 148 148 18942 1 . GLY 149 149 18942 1 . ASN 150 150 18942 1 . LEU 151 151 18942 1 . SER 152 152 18942 1 . THR 153 153 18942 1 . GLU 154 154 18942 1 . LYS 155 155 18942 1 . PHE 156 156 18942 1 . VAL 157 157 18942 1 . GLU 158 158 18942 1 . GLU 159 159 18942 1 . ILE 160 160 18942 1 . LYS 161 161 18942 1 . SER 162 162 18942 1 . ILE 163 163 18942 1 . ALA 164 164 18942 1 . SER 165 165 18942 1 . GLU 166 166 18942 1 . PRO 167 167 18942 1 . THR 168 168 18942 1 . GLU 169 169 18942 1 . LYS 170 170 18942 1 . HIS 171 171 18942 1 . PHE 172 172 18942 1 . PHE 173 173 18942 1 . ASN 174 174 18942 1 . VAL 175 175 18942 1 . SER 176 176 18942 1 . ASP 177 177 18942 1 . GLU 178 178 18942 1 . LEU 179 179 18942 1 . ALA 180 180 18942 1 . LEU 181 181 18942 1 . VAL 182 182 18942 1 . THR 183 183 18942 1 . ILE 184 184 18942 1 . VAL 185 185 18942 1 . LYS 186 186 18942 1 . THR 187 187 18942 1 . LEU 188 188 18942 1 . GLY 189 189 18942 1 . GLU 190 190 18942 1 . ARG 191 191 18942 1 . ILE 192 192 18942 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 18942 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B,C,D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XGPXGPXGLXGENGPXGPXG PXX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 23 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1936.040 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 ACE . 18942 2 2 1 GLY . 18942 2 3 2 PRO . 18942 2 4 3 HYP . 18942 2 5 4 GLY . 18942 2 6 5 PRO . 18942 2 7 6 HYP . 18942 2 8 7 GLY . 18942 2 9 8 LEU . 18942 2 10 9 HYP . 18942 2 11 10 GLY . 18942 2 12 11 GLU . 18942 2 13 12 ASN . 18942 2 14 13 GLY . 18942 2 15 14 PRO . 18942 2 16 15 HYP . 18942 2 17 16 GLY . 18942 2 18 17 PRO . 18942 2 19 18 HYP . 18942 2 20 19 GLY . 18942 2 21 20 PRO . 18942 2 22 21 HYP . 18942 2 23 22 NH2 . 18942 2 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 . ACE 1 1 18942 2 . GLY 2 2 18942 2 . PRO 3 3 18942 2 . HYP 4 4 18942 2 . GLY 5 5 18942 2 . PRO 6 6 18942 2 . HYP 7 7 18942 2 . GLY 8 8 18942 2 . LEU 9 9 18942 2 . HYP 10 10 18942 2 . GLY 11 11 18942 2 . GLU 12 12 18942 2 . ASN 13 13 18942 2 . GLY 14 14 18942 2 . PRO 15 15 18942 2 . HYP 16 16 18942 2 . GLY 17 17 18942 2 . PRO 18 18 18942 2 . HYP 19 19 18942 2 . GLY 20 20 18942 2 . PRO 21 21 18942 2 . HYP 22 22 18942 2 . NH2 23 23 18942 2 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 18942 _Entity.ID 3 _Entity.BMRB_code MG _Entity.Name entity_MG _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 MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _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 'MAGNESIUM ION' BMRB 18942 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 18942 3 MG 'Three letter code' 18942 3 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 MG $chem_comp_MG 18942 3 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 MG MG 18942 3 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 18942 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . 'I-domain of integrin 1' . . 18942 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . 'GLOGEN trimeric peptide as a mimetic for type III collagen' . . 18942 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 18942 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a+ . . . 'alpha-1 integrin I-domain' . . 18942 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'GLOGEN peptide' . . 18942 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 18942 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _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 MG _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/Mg/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 Mg _Chem_comp.Formula_weight 24.305 _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 PDBJ _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 InChI=1S/Mg/q+2 InChI InChI 1.03 18942 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 18942 MG [Mg++] SMILES CACTVS 3.341 18942 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 18942 MG [Mg+2] SMILES ACDLabs 10.04 18942 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 18942 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18942 MG 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 magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 18942 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18942 MG 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 MG MG MG MG . MG . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18942 MG stop_ save_ save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID 18942 _Chem_comp.ID ACE _Chem_comp.Provenance PDB _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ACE _Chem_comp.PDB_code ACE _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 ACU _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACE _Chem_comp.Number_atoms_all 7 _Chem_comp.Number_atoms_nh 3 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C2H4O/c1-2-3/h2H,1H3 _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H4 O' _Chem_comp.Formula_weight 44.053 _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 EBI _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 CC=O SMILES CACTVS 3.341 18942 ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 18942 ACE CC=O SMILES_CANONICAL CACTVS 3.341 18942 ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18942 ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 18942 ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 18942 ACE O=CC SMILES ACDLabs 10.04 18942 ACE 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 acetaldehyde 'SYSTEMATIC NAME' ACDLabs 10.04 18942 ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18942 ACE 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 C C C C . C . . N 0 . . . 1 no no . . . . 0.772 . -10.072 . 6.578 . -0.133 0.453 0.000 1 . 18942 ACE O O O O . O . . N 0 . . . 1 no no . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . 18942 ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . 18942 ACE H H H H . H . . N 0 . . . 1 no no . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . 18942 ACE H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . 18942 ACE H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . 18942 ACE H3 H3 H3 3H . H . . N 0 . . . 1 no no . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . 18942 ACE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C O no N 1 . 18942 ACE 2 . SING C CH3 no N 2 . 18942 ACE 3 . SING C H no N 3 . 18942 ACE 4 . SING CH3 H1 no N 4 . 18942 ACE 5 . SING CH3 H2 no N 5 . 18942 ACE 6 . SING CH3 H3 no N 6 . 18942 ACE stop_ save_ save_chem_comp_HYP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HYP _Chem_comp.Entry_ID 18942 _Chem_comp.ID HYP _Chem_comp.Provenance PDB _Chem_comp.Name 4-HYDROXYPROLINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code HYP _Chem_comp.PDB_code HYP _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 P _Chem_comp.Three_letter_code HYP _Chem_comp.Number_atoms_all 18 _Chem_comp.Number_atoms_nh 9 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 _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 PRO _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 HYDROXYPROLINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H9 N O3' _Chem_comp.Formula_weight 131.130 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _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 C1C(CNC1C(=O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 18942 HYP C1[C@H](CN[C@@H]1C(=O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18942 HYP InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 InChI InChI 1.03 18942 HYP O[C@H]1CN[C@@H](C1)C(O)=O SMILES_CANONICAL CACTVS 3.341 18942 HYP O[CH]1CN[CH](C1)C(O)=O SMILES CACTVS 3.341 18942 HYP O=C(O)C1NCC(O)C1 SMILES ACDLabs 10.04 18942 HYP PMMYEEVYMWASQN-DMTCNVIQSA-N InChIKey InChI 1.03 18942 HYP 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 '(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18942 HYP (4R)-4-hydroxy-L-proline 'SYSTEMATIC NAME' ACDLabs 10.04 18942 HYP 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 N N N N . N . . N 0 . . . 1 no no . . . . -3.366 . 16.585 . 44.188 . 0.168 1.360 -0.282 1 . 18942 HYP CA CA CA CA . C . . S 0 . . . 1 no no . . . . -2.955 . 15.768 . 43.044 . -0.384 -0.003 -0.493 2 . 18942 HYP C C C C . C . . N 0 . . . 1 no no . . . . -1.447 . 15.609 . 43.030 . -1.811 -0.072 -0.013 3 . 18942 HYP O O O O . O . . N 0 . . . 1 no no . . . . -0.722 . 16.484 . 43.503 . -2.233 0.764 0.750 4 . 18942 HYP CB CB CB CB . C . . N 0 . . . 1 no no . . . . -3.408 . 16.578 . 41.829 . 0.515 -0.924 0.359 5 . 18942 HYP CG CG CG CG . C . . R 0 . . . 1 no no . . . . -4.437 . 17.482 . 42.330 . 1.847 -0.159 0.505 6 . 18942 HYP CD CD CD CD . C . . N 0 . . . 1 no no . . . . -4.068 . 17.803 . 43.753 . 1.640 1.159 -0.271 7 . 18942 HYP OD1 OD1 OD1 OD . O . . N 0 . . . 1 no no . . . . -5.693 . 16.815 . 42.294 . 2.917 -0.911 -0.071 8 . 18942 HYP OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . -0.976 . 14.502 . 42.469 . -2.614 -1.063 -0.433 9 . 18942 HYP H H H H . H . . N 0 . . . 1 no yes . . . . -3.980 . 16.047 . 44.765 . -0.107 1.981 -1.028 10 . 18942 HYP HA HA HA HA . H . . N 0 . . . 1 no no . . . . -3.385 . 14.756 . 43.068 . -0.325 -0.278 -1.546 11 . 18942 HYP HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . -2.567 . 17.141 . 41.398 . 0.066 -1.092 1.337 12 . 18942 HYP HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . -3.790 . 15.930 . 41.026 . 0.678 -1.873 -0.153 13 . 18942 HYP HG HG HG HG . H . . N 0 . . . 1 no no . . . . -4.508 . 18.399 . 41.726 . 2.052 0.048 1.555 14 . 18942 HYP HD22 HD22 HD22 1HD . H . . N 0 . . . 0 no no . . . . -4.956 . 18.005 . 44.370 . 2.018 1.065 -1.289 15 . 18942 HYP HD23 HD23 HD23 2HD . H . . N 0 . . . 0 no no . . . . -3.457 . 18.713 . 43.848 . 2.132 1.985 0.243 16 . 18942 HYP HD1 HD1 HD1 HOD . H . . N 0 . . . 1 no no . . . . -5.999 . 16.666 . 43.181 . 3.780 -0.479 -0.009 17 . 18942 HYP HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . -0.027 . 14.511 . 42.499 . -3.520 -1.066 -0.098 18 . 18942 HYP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 18942 HYP 2 . SING N CD no N 2 . 18942 HYP 3 . SING N H no N 3 . 18942 HYP 4 . SING CA C no N 4 . 18942 HYP 5 . SING CA CB no N 5 . 18942 HYP 6 . SING CA HA no N 6 . 18942 HYP 7 . DOUB C O no N 7 . 18942 HYP 8 . SING C OXT no N 8 . 18942 HYP 9 . SING CB CG no N 9 . 18942 HYP 10 . SING CB HB2 no N 10 . 18942 HYP 11 . SING CB HB3 no N 11 . 18942 HYP 12 . SING CG CD no N 12 . 18942 HYP 13 . SING CG OD1 no N 13 . 18942 HYP 14 . SING CG HG no N 14 . 18942 HYP 15 . SING CD HD22 no N 15 . 18942 HYP 16 . SING CD HD23 no N 16 . 18942 HYP 17 . SING OD1 HD1 no N 17 . 18942 HYP 18 . SING OXT HXT no N 18 . 18942 HYP stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID 18942 _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _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 NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1/H3N/h1H3 _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _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 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _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 InChI=1/H3N/h1H3 InChI InChI 1.02b 18942 NH2 N SMILES ACDLabs 10.04 18942 NH2 [NH2] SMILES CACTVS 3.341 18942 NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 18942 NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 18942 NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18942 NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b 18942 NH2 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 ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 18942 NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18942 NH2 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 N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . 18942 NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . 18942 NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . 18942 NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 no N 1 . 18942 NH2 2 . SING N HN2 no N 2 . 18942 NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18942 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 7.4' _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-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 18942 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 2.4 . . mM . . . . 18942 1 3 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 18942 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 18942 1 5 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 18942 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 18942 _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' 0.1 . M 18942 1 pH 7.4 . pH 18942 1 pressure 1 . atm 18942 1 temperature 298 . K 18942 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18942 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18942 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18942 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bio21_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bio21_800 _NMR_spectrometer.Entry_ID 18942 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_IMB_900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode IMB_900 _NMR_spectrometer.Entry_ID 18942 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 18942 _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 Bio21_800 Bruker Avance . 800 . . . 18942 1 2 IMB_900 Bruker Avance . 900 . . . 18942 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 18942 _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 $Bio21_800 . . . . . . . . . . . . . . . . 18942 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bio21_800 . . . . . . . . . . . . . . . . 18942 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bio21_800 . . . . . . . . . . . . . . . . 18942 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bio21_800 . . . . . . . . . . . . . . . . 18942 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bio21_800 . . . . . . . . . . . . . . . . 18942 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bio21_800 . . . . . . . . . . . . . . . . 18942 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bio21_800 . . . . . . . . . . . . . . . . 18942 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $IMB_900 . . . . . . . . . . . . . . . . 18942 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $Bio21_800 . . . . . . . . . . . . . . . . 18942 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 18942 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18942 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18942 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18942 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 18942 _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 4 '3D HNCACB' . . . 18942 1 5 '3D HNCO' . . . 18942 1 7 '3D 1H-15N NOESY' . . . 18942 1 8 '3D 1H-13C NOESY aliphatic' . . . 18942 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER C C 13 174.407 0.2 . 1 . . . . 1 SER C . 18942 1 2 . 1 1 1 1 SER CA C 13 58.82 0.2 . 1 . . . . 1 SER CA . 18942 1 3 . 1 1 1 1 SER CB C 13 63.981 0.2 . 1 . . . . 1 SER CB . 18942 1 4 . 1 1 2 2 THR H H 1 8.002 0.02 . 1 . . . . 2 THR H . 18942 1 5 . 1 1 2 2 THR HA H 1 4.274 0.02 . 1 . . . . 2 THR HA . 18942 1 6 . 1 1 2 2 THR HB H 1 4.082 0.02 . 1 . . . . 2 THR HB . 18942 1 7 . 1 1 2 2 THR HG21 H 1 1.155 0.02 . 1 . . . . 2 THR HG21 . 18942 1 8 . 1 1 2 2 THR HG22 H 1 1.155 0.02 . 1 . . . . 2 THR HG22 . 18942 1 9 . 1 1 2 2 THR HG23 H 1 1.155 0.02 . 1 . . . . 2 THR HG23 . 18942 1 10 . 1 1 2 2 THR C C 13 174.211 0.2 . 1 . . . . 2 THR C . 18942 1 11 . 1 1 2 2 THR CA C 13 61.939 0.2 . 1 . . . . 2 THR CA . 18942 1 12 . 1 1 2 2 THR CB C 13 70.018 0.2 . 1 . . . . 2 THR CB . 18942 1 13 . 1 1 2 2 THR CG2 C 13 21.854 0.2 . 1 . . . . 2 THR CG2 . 18942 1 14 . 1 1 2 2 THR N N 15 116.388 0.2 . 1 . . . . 2 THR N . 18942 1 15 . 1 1 3 3 GLN H H 1 8.225 0.02 . 1 . . . . 3 GLN H . 18942 1 16 . 1 1 3 3 GLN HA H 1 4.207 0.02 . 1 . . . . 3 GLN HA . 18942 1 17 . 1 1 3 3 GLN HB2 H 1 1.756 0.02 . 2 . . . . 3 GLN HB2 . 18942 1 18 . 1 1 3 3 GLN HB3 H 1 1.756 0.02 . 2 . . . . 3 GLN HB3 . 18942 1 19 . 1 1 3 3 GLN HG2 H 1 2.146 0.02 . 2 . . . . 3 GLN HG2 . 18942 1 20 . 1 1 3 3 GLN HG3 H 1 2.332 0.02 . 2 . . . . 3 GLN HG3 . 18942 1 21 . 1 1 3 3 GLN HE21 H 1 6.658 0.02 . 2 . . . . 3 GLN HE21 . 18942 1 22 . 1 1 3 3 GLN HE22 H 1 7.033 0.02 . 2 . . . . 3 GLN HE22 . 18942 1 23 . 1 1 3 3 GLN C C 13 174.443 0.2 . 1 . . . . 3 GLN C . 18942 1 24 . 1 1 3 3 GLN CA C 13 56.56 0.2 . 1 . . . . 3 GLN CA . 18942 1 25 . 1 1 3 3 GLN CB C 13 30.049 0.2 . 1 . . . . 3 GLN CB . 18942 1 26 . 1 1 3 3 GLN CG C 13 34.793 0.2 . 1 . . . . 3 GLN CG . 18942 1 27 . 1 1 3 3 GLN N N 15 123.724 0.2 . 1 . . . . 3 GLN N . 18942 1 28 . 1 1 3 3 GLN NE2 N 15 109.87 0.2 . 1 . . . . 3 GLN NE2 . 18942 1 29 . 1 1 4 4 LEU H H 1 6.832 0.02 . 1 . . . . 4 LEU H . 18942 1 30 . 1 1 4 4 LEU HA H 1 4.834 0.02 . 1 . . . . 4 LEU HA . 18942 1 31 . 1 1 4 4 LEU HB2 H 1 1.171 0.02 . 2 . . . . 4 LEU HB2 . 18942 1 32 . 1 1 4 4 LEU HB3 H 1 1.738 0.02 . 2 . . . . 4 LEU HB3 . 18942 1 33 . 1 1 4 4 LEU HG H 1 1.519 0.02 . 1 . . . . 4 LEU HG . 18942 1 34 . 1 1 4 4 LEU HD11 H 1 0.856 0.02 . 2 . . . . 4 LEU HD11 . 18942 1 35 . 1 1 4 4 LEU HD12 H 1 0.856 0.02 . 2 . . . . 4 LEU HD12 . 18942 1 36 . 1 1 4 4 LEU HD13 H 1 0.856 0.02 . 2 . . . . 4 LEU HD13 . 18942 1 37 . 1 1 4 4 LEU HD21 H 1 0.841 0.02 . 1 . . . . 4 LEU HD21 . 18942 1 38 . 1 1 4 4 LEU HD22 H 1 0.841 0.02 . 1 . . . . 4 LEU HD22 . 18942 1 39 . 1 1 4 4 LEU HD23 H 1 0.841 0.02 . 1 . . . . 4 LEU HD23 . 18942 1 40 . 1 1 4 4 LEU C C 13 174.867 0.2 . 1 . . . . 4 LEU C . 18942 1 41 . 1 1 4 4 LEU CA C 13 54.5 0.2 . 1 . . . . 4 LEU CA . 18942 1 42 . 1 1 4 4 LEU CB C 13 47.427 0.2 . 1 . . . . 4 LEU CB . 18942 1 43 . 1 1 4 4 LEU CG C 13 26.805 0.2 . 1 . . . . 4 LEU CG . 18942 1 44 . 1 1 4 4 LEU CD1 C 13 27.54 0.2 . 2 . . . . 4 LEU CD1 . 18942 1 45 . 1 1 4 4 LEU CD2 C 13 24.894 0.2 . 2 . . . . 4 LEU CD2 . 18942 1 46 . 1 1 4 4 LEU N N 15 121.861 0.2 . 1 . . . . 4 LEU N . 18942 1 47 . 1 1 5 5 ASP H H 1 8.76 0.02 . 1 . . . . 5 ASP H . 18942 1 48 . 1 1 5 5 ASP HA H 1 5.213 0.02 . 1 . . . . 5 ASP HA . 18942 1 49 . 1 1 5 5 ASP HB2 H 1 2.574 0.02 . 2 . . . . 5 ASP HB2 . 18942 1 50 . 1 1 5 5 ASP C C 13 173.417 0.2 . 1 . . . . 5 ASP C . 18942 1 51 . 1 1 5 5 ASP CA C 13 54.607 0.2 . 1 . . . . 5 ASP CA . 18942 1 52 . 1 1 5 5 ASP CB C 13 42.393 0.2 . 1 . . . . 5 ASP CB . 18942 1 53 . 1 1 5 5 ASP N N 15 126.856 0.2 . 1 . . . . 5 ASP N . 18942 1 54 . 1 1 6 6 ILE H H 1 8.897 0.02 . 1 . . . . 6 ILE H . 18942 1 55 . 1 1 6 6 ILE HA H 1 5.065 0.02 . 1 . . . . 6 ILE HA . 18942 1 56 . 1 1 6 6 ILE HB H 1 1.925 0.02 . 1 . . . . 6 ILE HB . 18942 1 57 . 1 1 6 6 ILE HG12 H 1 1.64 0.02 . 1 . . . . 6 ILE HG12 . 18942 1 58 . 1 1 6 6 ILE HG13 H 1 1.64 0.02 . 1 . . . . 6 ILE HG13 . 18942 1 59 . 1 1 6 6 ILE HG21 H 1 0.57 0.02 . 1 . . . . 6 ILE HG21 . 18942 1 60 . 1 1 6 6 ILE HG22 H 1 0.57 0.02 . 1 . . . . 6 ILE HG22 . 18942 1 61 . 1 1 6 6 ILE HG23 H 1 0.57 0.02 . 1 . . . . 6 ILE HG23 . 18942 1 62 . 1 1 6 6 ILE HD11 H 1 0.61 0.02 . 1 . . . . 6 ILE HD11 . 18942 1 63 . 1 1 6 6 ILE HD12 H 1 0.61 0.02 . 1 . . . . 6 ILE HD12 . 18942 1 64 . 1 1 6 6 ILE HD13 H 1 0.61 0.02 . 1 . . . . 6 ILE HD13 . 18942 1 65 . 1 1 6 6 ILE CA C 13 60.118 0.2 . 1 . . . . 6 ILE CA . 18942 1 66 . 1 1 6 6 ILE CB C 13 39.794 0.2 . 1 . . . . 6 ILE CB . 18942 1 67 . 1 1 6 6 ILE CG1 C 13 27.181 0.2 . 1 . . . . 6 ILE CG1 . 18942 1 68 . 1 1 6 6 ILE CG2 C 13 16.363 0.2 . 1 . . . . 6 ILE CG2 . 18942 1 69 . 1 1 6 6 ILE CD1 C 13 14.676 0.2 . 1 . . . . 6 ILE CD1 . 18942 1 70 . 1 1 6 6 ILE N N 15 123.409 0.2 . 1 . . . . 6 ILE N . 18942 1 71 . 1 1 7 7 VAL H H 1 9.009 0.02 . 1 . . . . 7 VAL H . 18942 1 72 . 1 1 7 7 VAL HA H 1 4.708 0.02 . 1 . . . . 7 VAL HA . 18942 1 73 . 1 1 7 7 VAL HB H 1 1.488 0.02 . 1 . . . . 7 VAL HB . 18942 1 74 . 1 1 7 7 VAL HG11 H 1 -0.139 0.02 . 2 . . . . 7 VAL HG11 . 18942 1 75 . 1 1 7 7 VAL HG12 H 1 -0.139 0.02 . 2 . . . . 7 VAL HG12 . 18942 1 76 . 1 1 7 7 VAL HG13 H 1 -0.139 0.02 . 2 . . . . 7 VAL HG13 . 18942 1 77 . 1 1 7 7 VAL HG21 H 1 0.413 0.02 . 2 . . . . 7 VAL HG21 . 18942 1 78 . 1 1 7 7 VAL HG22 H 1 0.413 0.02 . 2 . . . . 7 VAL HG22 . 18942 1 79 . 1 1 7 7 VAL HG23 H 1 0.413 0.02 . 2 . . . . 7 VAL HG23 . 18942 1 80 . 1 1 7 7 VAL CA C 13 60.066 0.2 . 1 . . . . 7 VAL CA . 18942 1 81 . 1 1 7 7 VAL CB C 13 34.162 0.2 . 1 . . . . 7 VAL CB . 18942 1 82 . 1 1 7 7 VAL CG1 C 13 22.145 0.2 . 2 . . . . 7 VAL CG1 . 18942 1 83 . 1 1 7 7 VAL CG2 C 13 20.998 0.2 . 2 . . . . 7 VAL CG2 . 18942 1 84 . 1 1 7 7 VAL N N 15 125.899 0.2 . 1 . . . . 7 VAL N . 18942 1 85 . 1 1 8 8 ILE H H 1 8.758 0.02 . 1 . . . . 8 ILE H . 18942 1 86 . 1 1 8 8 ILE HA H 1 4.695 0.02 . 1 . . . . 8 ILE HA . 18942 1 87 . 1 1 8 8 ILE HB H 1 1.826 0.02 . 1 . . . . 8 ILE HB . 18942 1 88 . 1 1 8 8 ILE HG12 H 1 1.496 0.02 . 2 . . . . 8 ILE HG12 . 18942 1 89 . 1 1 8 8 ILE HG13 H 1 1.515 0.02 . 2 . . . . 8 ILE HG13 . 18942 1 90 . 1 1 8 8 ILE HG21 H 1 0.764 0.02 . 1 . . . . 8 ILE HG21 . 18942 1 91 . 1 1 8 8 ILE HG22 H 1 0.764 0.02 . 1 . . . . 8 ILE HG22 . 18942 1 92 . 1 1 8 8 ILE HG23 H 1 0.764 0.02 . 1 . . . . 8 ILE HG23 . 18942 1 93 . 1 1 8 8 ILE HD11 H 1 0.586 0.02 . 1 . . . . 8 ILE HD11 . 18942 1 94 . 1 1 8 8 ILE HD12 H 1 0.586 0.02 . 1 . . . . 8 ILE HD12 . 18942 1 95 . 1 1 8 8 ILE HD13 H 1 0.586 0.02 . 1 . . . . 8 ILE HD13 . 18942 1 96 . 1 1 8 8 ILE CA C 13 59.841 0.2 . 1 . . . . 8 ILE CA . 18942 1 97 . 1 1 8 8 ILE CB C 13 38.016 0.2 . 1 . . . . 8 ILE CB . 18942 1 98 . 1 1 8 8 ILE CG1 C 13 28.094 0.2 . 1 . . . . 8 ILE CG1 . 18942 1 99 . 1 1 8 8 ILE CG2 C 13 17.436 0.2 . 1 . . . . 8 ILE CG2 . 18942 1 100 . 1 1 8 8 ILE CD1 C 13 13.705 0.2 . 1 . . . . 8 ILE CD1 . 18942 1 101 . 1 1 8 8 ILE N N 15 128.781 0.2 . 1 . . . . 8 ILE N . 18942 1 102 . 1 1 9 9 VAL H H 1 9.713 0.02 . 1 . . . . 9 VAL H . 18942 1 103 . 1 1 9 9 VAL HA H 1 4.47 0.02 . 1 . . . . 9 VAL HA . 18942 1 104 . 1 1 9 9 VAL HB H 1 2.118 0.02 . 1 . . . . 9 VAL HB . 18942 1 105 . 1 1 9 9 VAL HG11 H 1 0.722 0.02 . 2 . . . . 9 VAL HG11 . 18942 1 106 . 1 1 9 9 VAL HG12 H 1 0.722 0.02 . 2 . . . . 9 VAL HG12 . 18942 1 107 . 1 1 9 9 VAL HG13 H 1 0.722 0.02 . 2 . . . . 9 VAL HG13 . 18942 1 108 . 1 1 9 9 VAL HG21 H 1 0.722 0.02 . 2 . . . . 9 VAL HG21 . 18942 1 109 . 1 1 9 9 VAL HG22 H 1 0.722 0.02 . 2 . . . . 9 VAL HG22 . 18942 1 110 . 1 1 9 9 VAL HG23 H 1 0.722 0.02 . 2 . . . . 9 VAL HG23 . 18942 1 111 . 1 1 9 9 VAL C C 13 173.949 0.2 . 1 . . . . 9 VAL C . 18942 1 112 . 1 1 9 9 VAL CA C 13 61.475 0.2 . 1 . . . . 9 VAL CA . 18942 1 113 . 1 1 9 9 VAL CB C 13 32.396 0.2 . 1 . . . . 9 VAL CB . 18942 1 114 . 1 1 9 9 VAL CG1 C 13 21.38 0.2 . 2 . . . . 9 VAL CG1 . 18942 1 115 . 1 1 9 9 VAL CG2 C 13 21.381 0.2 . 2 . . . . 9 VAL CG2 . 18942 1 116 . 1 1 9 9 VAL N N 15 130.125 0.2 . 1 . . . . 9 VAL N . 18942 1 117 . 1 1 10 10 LEU H H 1 9.261 0.02 . 1 . . . . 10 LEU H . 18942 1 118 . 1 1 10 10 LEU HA H 1 4.521 0.02 . 1 . . . . 10 LEU HA . 18942 1 119 . 1 1 10 10 LEU HB2 H 1 1.434 0.02 . 2 . . . . 10 LEU HB2 . 18942 1 120 . 1 1 10 10 LEU HB3 H 1 1.75 0.02 . 2 . . . . 10 LEU HB3 . 18942 1 121 . 1 1 10 10 LEU HG H 1 1.616 0.02 . 1 . . . . 10 LEU HG . 18942 1 122 . 1 1 10 10 LEU HD11 H 1 0.617 0.02 . 1 . . . . 10 LEU HD11 . 18942 1 123 . 1 1 10 10 LEU HD12 H 1 0.617 0.02 . 1 . . . . 10 LEU HD12 . 18942 1 124 . 1 1 10 10 LEU HD13 H 1 0.617 0.02 . 1 . . . . 10 LEU HD13 . 18942 1 125 . 1 1 10 10 LEU HD21 H 1 0.754 0.02 . 1 . . . . 10 LEU HD21 . 18942 1 126 . 1 1 10 10 LEU HD22 H 1 0.754 0.02 . 1 . . . . 10 LEU HD22 . 18942 1 127 . 1 1 10 10 LEU HD23 H 1 0.754 0.02 . 1 . . . . 10 LEU HD23 . 18942 1 128 . 1 1 10 10 LEU C C 13 174.175 0.2 . 1 . . . . 10 LEU C . 18942 1 129 . 1 1 10 10 LEU CA C 13 53.726 0.2 . 1 . . . . 10 LEU CA . 18942 1 130 . 1 1 10 10 LEU CB C 13 44.609 0.2 . 1 . . . . 10 LEU CB . 18942 1 131 . 1 1 10 10 LEU CG C 13 26.294 0.2 . 1 . . . . 10 LEU CG . 18942 1 132 . 1 1 10 10 LEU CD1 C 13 23.551 0.2 . 2 . . . . 10 LEU CD1 . 18942 1 133 . 1 1 10 10 LEU CD2 C 13 26.288 0.2 . 2 . . . . 10 LEU CD2 . 18942 1 134 . 1 1 10 10 LEU N N 15 124.673 0.2 . 1 . . . . 10 LEU N . 18942 1 135 . 1 1 11 11 ASP H H 1 7.867 0.02 . 1 . . . . 11 ASP H . 18942 1 136 . 1 1 11 11 ASP HA H 1 3.148 0.02 . 1 . . . . 11 ASP HA . 18942 1 137 . 1 1 11 11 ASP C C 13 174.405 0.2 . 1 . . . . 11 ASP C . 18942 1 138 . 1 1 11 11 ASP CA C 13 53.553 0.2 . 1 . . . . 11 ASP CA . 18942 1 139 . 1 1 11 11 ASP CB C 13 41.59 0.2 . 1 . . . . 11 ASP CB . 18942 1 140 . 1 1 11 11 ASP N N 15 126.253 0.2 . 1 . . . . 11 ASP N . 18942 1 141 . 1 1 12 12 GLY H H 1 8.825 0.02 . 1 . . . . 12 GLY H . 18942 1 142 . 1 1 12 12 GLY HA2 H 1 4.229 0.02 . 2 . . . . 12 GLY HA2 . 18942 1 143 . 1 1 12 12 GLY HA3 H 1 4.229 0.02 . 2 . . . . 12 GLY HA3 . 18942 1 144 . 1 1 12 12 GLY C C 13 176.01 0.2 . 1 . . . . 12 GLY C . 18942 1 145 . 1 1 12 12 GLY CA C 13 44.714 0.2 . 1 . . . . 12 GLY CA . 18942 1 146 . 1 1 12 12 GLY N N 15 114.504 0.2 . 1 . . . . 12 GLY N . 18942 1 147 . 1 1 13 13 SER H H 1 8.668 0.02 . 1 . . . . 13 SER H . 18942 1 148 . 1 1 13 13 SER HA H 1 3.638 0.02 . 1 . . . . 13 SER HA . 18942 1 149 . 1 1 13 13 SER HB2 H 1 3.962 0.02 . 2 . . . . 13 SER HB2 . 18942 1 150 . 1 1 13 13 SER HB3 H 1 3.962 0.02 . 2 . . . . 13 SER HB3 . 18942 1 151 . 1 1 13 13 SER C C 13 173.728 0.2 . 1 . . . . 13 SER C . 18942 1 152 . 1 1 13 13 SER CA C 13 58.607 0.2 . 1 . . . . 13 SER CA . 18942 1 153 . 1 1 13 13 SER CB C 13 64.366 0.2 . 1 . . . . 13 SER CB . 18942 1 154 . 1 1 13 13 SER N N 15 115.328 0.2 . 1 . . . . 13 SER N . 18942 1 155 . 1 1 14 14 ASN H H 1 8.8 0.02 . 1 . . . . 14 ASN H . 18942 1 156 . 1 1 14 14 ASN HA H 1 4.103 0.02 . 1 . . . . 14 ASN HA . 18942 1 157 . 1 1 14 14 ASN HB2 H 1 2.684 0.02 . 2 . . . . 14 ASN HB2 . 18942 1 158 . 1 1 14 14 ASN HB3 H 1 2.828 0.02 . 2 . . . . 14 ASN HB3 . 18942 1 159 . 1 1 14 14 ASN C C 13 175.323 0.2 . 1 . . . . 14 ASN C . 18942 1 160 . 1 1 14 14 ASN CA C 13 55.132 0.2 . 1 . . . . 14 ASN CA . 18942 1 161 . 1 1 14 14 ASN CB C 13 37.735 0.2 . 1 . . . . 14 ASN CB . 18942 1 162 . 1 1 14 14 ASN N N 15 118.042 0.2 . 1 . . . . 14 ASN N . 18942 1 163 . 1 1 15 15 SER H H 1 8.949 0.02 . 1 . . . . 15 SER H . 18942 1 164 . 1 1 15 15 SER HA H 1 3.851 0.02 . 1 . . . . 15 SER HA . 18942 1 165 . 1 1 15 15 SER HB2 H 1 3.859 0.02 . 2 . . . . 15 SER HB2 . 18942 1 166 . 1 1 15 15 SER HB3 H 1 3.859 0.02 . 2 . . . . 15 SER HB3 . 18942 1 167 . 1 1 15 15 SER C C 13 175.252 0.2 . 1 . . . . 15 SER C . 18942 1 168 . 1 1 15 15 SER CA C 13 60.352 0.2 . 1 . . . . 15 SER CA . 18942 1 169 . 1 1 15 15 SER CB C 13 62.281 0.2 . 1 . . . . 15 SER CB . 18942 1 170 . 1 1 15 15 SER N N 15 110.76 0.2 . 1 . . . . 15 SER N . 18942 1 171 . 1 1 16 16 ILE H H 1 7.463 0.02 . 1 . . . . 16 ILE H . 18942 1 172 . 1 1 16 16 ILE HA H 1 4.094 0.02 . 1 . . . . 16 ILE HA . 18942 1 173 . 1 1 16 16 ILE HB H 1 2.234 0.02 . 1 . . . . 16 ILE HB . 18942 1 174 . 1 1 16 16 ILE HG21 H 1 0.933 0.02 . 1 . . . . 16 ILE HG21 . 18942 1 175 . 1 1 16 16 ILE HG22 H 1 0.933 0.02 . 1 . . . . 16 ILE HG22 . 18942 1 176 . 1 1 16 16 ILE HG23 H 1 0.933 0.02 . 1 . . . . 16 ILE HG23 . 18942 1 177 . 1 1 16 16 ILE HD11 H 1 0.564 0.02 . 1 . . . . 16 ILE HD11 . 18942 1 178 . 1 1 16 16 ILE HD12 H 1 0.564 0.02 . 1 . . . . 16 ILE HD12 . 18942 1 179 . 1 1 16 16 ILE HD13 H 1 0.564 0.02 . 1 . . . . 16 ILE HD13 . 18942 1 180 . 1 1 16 16 ILE C C 13 175.772 0.2 . 1 . . . . 16 ILE C . 18942 1 181 . 1 1 16 16 ILE CA C 13 59.419 0.2 . 1 . . . . 16 ILE CA . 18942 1 182 . 1 1 16 16 ILE CB C 13 34.858 0.2 . 1 . . . . 16 ILE CB . 18942 1 183 . 1 1 16 16 ILE CG2 C 13 16.42 0.2 . 1 . . . . 16 ILE CG2 . 18942 1 184 . 1 1 16 16 ILE CD1 C 13 9.643 0.2 . 1 . . . . 16 ILE CD1 . 18942 1 185 . 1 1 16 16 ILE N N 15 126.875 0.2 . 1 . . . . 16 ILE N . 18942 1 186 . 1 1 17 17 TYR H H 1 8.097 0.02 . 1 . . . . 17 TYR H . 18942 1 187 . 1 1 17 17 TYR CA C 13 55.534 0.2 . 1 . . . . 17 TYR CA . 18942 1 188 . 1 1 17 17 TYR CB C 13 42.633 0.2 . 1 . . . . 17 TYR CB . 18942 1 189 . 1 1 17 17 TYR N N 15 126.068 0.2 . 1 . . . . 17 TYR N . 18942 1 190 . 1 1 18 18 PRO HA H 1 4.053 0.02 . 1 . . . . 18 PRO HA . 18942 1 191 . 1 1 18 18 PRO HB2 H 1 1.89 0.02 . 2 . . . . 18 PRO HB2 . 18942 1 192 . 1 1 18 18 PRO HB3 H 1 1.144 0.02 . 2 . . . . 18 PRO HB3 . 18942 1 193 . 1 1 18 18 PRO HD2 H 1 3.497 0.02 . 2 . . . . 18 PRO HD2 . 18942 1 194 . 1 1 18 18 PRO HD3 H 1 3.497 0.02 . 2 . . . . 18 PRO HD3 . 18942 1 195 . 1 1 18 18 PRO C C 13 177.356 0.2 . 1 . . . . 18 PRO C . 18942 1 196 . 1 1 18 18 PRO CA C 13 62.705 0.2 . 1 . . . . 18 PRO CA . 18942 1 197 . 1 1 18 18 PRO CB C 13 32.97 0.2 . 1 . . . . 18 PRO CB . 18942 1 198 . 1 1 18 18 PRO CD C 13 49.833 0.2 . 1 . . . . 18 PRO CD . 18942 1 199 . 1 1 19 19 TRP H H 1 9.064 0.02 . 1 . . . . 19 TRP H . 18942 1 200 . 1 1 19 19 TRP HA H 1 4.187 0.02 . 1 . . . . 19 TRP HA . 18942 1 201 . 1 1 19 19 TRP HB2 H 1 3.104 0.02 . 2 . . . . 19 TRP HB2 . 18942 1 202 . 1 1 19 19 TRP HB3 H 1 3.458 0.02 . 2 . . . . 19 TRP HB3 . 18942 1 203 . 1 1 19 19 TRP HD1 H 1 7.069 0.02 . 1 . . . . 19 TRP HD1 . 18942 1 204 . 1 1 19 19 TRP HE1 H 1 9.169 0.02 . 1 . . . . 19 TRP HE1 . 18942 1 205 . 1 1 19 19 TRP HE3 H 1 7.107 0.02 . 1 . . . . 19 TRP HE3 . 18942 1 206 . 1 1 19 19 TRP HZ2 H 1 6.795 0.02 . 1 . . . . 19 TRP HZ2 . 18942 1 207 . 1 1 19 19 TRP HZ3 H 1 7.543 0.02 . 1 . . . . 19 TRP HZ3 . 18942 1 208 . 1 1 19 19 TRP HH2 H 1 6.592 0.02 . 1 . . . . 19 TRP HH2 . 18942 1 209 . 1 1 19 19 TRP C C 13 177.067 0.2 . 1 . . . . 19 TRP C . 18942 1 210 . 1 1 19 19 TRP CA C 13 59.646 0.2 . 1 . . . . 19 TRP CA . 18942 1 211 . 1 1 19 19 TRP CB C 13 29.69 0.2 . 1 . . . . 19 TRP CB . 18942 1 212 . 1 1 19 19 TRP CD1 C 13 126.833 0.2 . 1 . . . . 19 TRP CD1 . 18942 1 213 . 1 1 19 19 TRP CE3 C 13 119.72 0.2 . 1 . . . . 19 TRP CE3 . 18942 1 214 . 1 1 19 19 TRP CZ2 C 13 112.905 0.2 . 1 . . . . 19 TRP CZ2 . 18942 1 215 . 1 1 19 19 TRP CZ3 C 13 122.309 0.2 . 1 . . . . 19 TRP CZ3 . 18942 1 216 . 1 1 19 19 TRP CH2 C 13 124.08 0.2 . 1 . . . . 19 TRP CH2 . 18942 1 217 . 1 1 19 19 TRP N N 15 126.697 0.2 . 1 . . . . 19 TRP N . 18942 1 218 . 1 1 19 19 TRP NE1 N 15 125.65 0.2 . 1 . . . . 19 TRP NE1 . 18942 1 219 . 1 1 20 20 ASP H H 1 8.476 0.02 . 1 . . . . 20 ASP H . 18942 1 220 . 1 1 20 20 ASP HA H 1 4.291 0.02 . 1 . . . . 20 ASP HA . 18942 1 221 . 1 1 20 20 ASP HB2 H 1 2.412 0.02 . 2 . . . . 20 ASP HB2 . 18942 1 222 . 1 1 20 20 ASP HB3 H 1 2.54 0.02 . 2 . . . . 20 ASP HB3 . 18942 1 223 . 1 1 20 20 ASP C C 13 178.681 0.2 . 1 . . . . 20 ASP C . 18942 1 224 . 1 1 20 20 ASP CA C 13 56.214 0.2 . 1 . . . . 20 ASP CA . 18942 1 225 . 1 1 20 20 ASP CB C 13 40.384 0.2 . 1 . . . . 20 ASP CB . 18942 1 226 . 1 1 20 20 ASP N N 15 113.559 0.2 . 1 . . . . 20 ASP N . 18942 1 227 . 1 1 21 21 SER H H 1 7.436 0.02 . 1 . . . . 21 SER H . 18942 1 228 . 1 1 21 21 SER HA H 1 4.148 0.02 . 1 . . . . 21 SER HA . 18942 1 229 . 1 1 21 21 SER HB2 H 1 3.651 0.02 . 2 . . . . 21 SER HB2 . 18942 1 230 . 1 1 21 21 SER HB3 H 1 3.759 0.02 . 2 . . . . 21 SER HB3 . 18942 1 231 . 1 1 21 21 SER C C 13 176.264 0.2 . 1 . . . . 21 SER C . 18942 1 232 . 1 1 21 21 SER CA C 13 61.853 0.2 . 1 . . . . 21 SER CA . 18942 1 233 . 1 1 21 21 SER CB C 13 63.207 0.2 . 1 . . . . 21 SER CB . 18942 1 234 . 1 1 21 21 SER N N 15 114.384 0.2 . 1 . . . . 21 SER N . 18942 1 235 . 1 1 22 22 VAL H H 1 7.13 0.02 . 1 . . . . 22 VAL H . 18942 1 236 . 1 1 22 22 VAL HA H 1 3.066 0.02 . 1 . . . . 22 VAL HA . 18942 1 237 . 1 1 22 22 VAL HB H 1 1.201 0.02 . 1 . . . . 22 VAL HB . 18942 1 238 . 1 1 22 22 VAL HG11 H 1 0.42 0.02 . 2 . . . . 22 VAL HG11 . 18942 1 239 . 1 1 22 22 VAL HG12 H 1 0.42 0.02 . 2 . . . . 22 VAL HG12 . 18942 1 240 . 1 1 22 22 VAL HG13 H 1 0.42 0.02 . 2 . . . . 22 VAL HG13 . 18942 1 241 . 1 1 22 22 VAL HG21 H 1 0.025 0.02 . 2 . . . . 22 VAL HG21 . 18942 1 242 . 1 1 22 22 VAL HG22 H 1 0.025 0.02 . 2 . . . . 22 VAL HG22 . 18942 1 243 . 1 1 22 22 VAL HG23 H 1 0.025 0.02 . 2 . . . . 22 VAL HG23 . 18942 1 244 . 1 1 22 22 VAL C C 13 177.581 0.2 . 1 . . . . 22 VAL C . 18942 1 245 . 1 1 22 22 VAL CA C 13 66.778 0.2 . 1 . . . . 22 VAL CA . 18942 1 246 . 1 1 22 22 VAL CB C 13 30.884 0.2 . 1 . . . . 22 VAL CB . 18942 1 247 . 1 1 22 22 VAL CG1 C 13 22.127 0.2 . 2 . . . . 22 VAL CG1 . 18942 1 248 . 1 1 22 22 VAL CG2 C 13 21.169 0.2 . 2 . . . . 22 VAL CG2 . 18942 1 249 . 1 1 22 22 VAL N N 15 124.056 0.2 . 1 . . . . 22 VAL N . 18942 1 250 . 1 1 23 23 THR H H 1 7.637 0.02 . 1 . . . . 23 THR H . 18942 1 251 . 1 1 23 23 THR HA H 1 3.447 0.02 . 1 . . . . 23 THR HA . 18942 1 252 . 1 1 23 23 THR HB H 1 3.995 0.02 . 1 . . . . 23 THR HB . 18942 1 253 . 1 1 23 23 THR HG21 H 1 0.944 0.02 . 1 . . . . 23 THR HG21 . 18942 1 254 . 1 1 23 23 THR HG22 H 1 0.944 0.02 . 1 . . . . 23 THR HG22 . 18942 1 255 . 1 1 23 23 THR HG23 H 1 0.944 0.02 . 1 . . . . 23 THR HG23 . 18942 1 256 . 1 1 23 23 THR C C 13 177.587 0.2 . 1 . . . . 23 THR C . 18942 1 257 . 1 1 23 23 THR CA C 13 66.08 0.2 . 1 . . . . 23 THR CA . 18942 1 258 . 1 1 23 23 THR CB C 13 68.089 0.2 . 1 . . . . 23 THR CB . 18942 1 259 . 1 1 23 23 THR CG2 C 13 22.472 0.2 . 1 . . . . 23 THR CG2 . 18942 1 260 . 1 1 23 23 THR N N 15 110.945 0.2 . 1 . . . . 23 THR N . 18942 1 261 . 1 1 24 24 ALA H H 1 7.768 0.02 . 1 . . . . 24 ALA H . 18942 1 262 . 1 1 24 24 ALA HA H 1 3.969 0.02 . 1 . . . . 24 ALA HA . 18942 1 263 . 1 1 24 24 ALA HB1 H 1 1.35 0.02 . 1 . . . . 24 ALA HB1 . 18942 1 264 . 1 1 24 24 ALA HB2 H 1 1.35 0.02 . 1 . . . . 24 ALA HB2 . 18942 1 265 . 1 1 24 24 ALA HB3 H 1 1.35 0.02 . 1 . . . . 24 ALA HB3 . 18942 1 266 . 1 1 24 24 ALA C C 13 178.927 0.2 . 1 . . . . 24 ALA C . 18942 1 267 . 1 1 24 24 ALA CA C 13 55.464 0.2 . 1 . . . . 24 ALA CA . 18942 1 268 . 1 1 24 24 ALA CB C 13 18.491 0.2 . 1 . . . . 24 ALA CB . 18942 1 269 . 1 1 24 24 ALA N N 15 124.377 0.2 . 1 . . . . 24 ALA N . 18942 1 270 . 1 1 25 25 PHE H H 1 7.064 0.02 . 1 . . . . 25 PHE H . 18942 1 271 . 1 1 25 25 PHE HA H 1 4.1 0.02 . 1 . . . . 25 PHE HA . 18942 1 272 . 1 1 25 25 PHE HB2 H 1 2.897 0.02 . 2 . . . . 25 PHE HB2 . 18942 1 273 . 1 1 25 25 PHE HB3 H 1 3.039 0.02 . 2 . . . . 25 PHE HB3 . 18942 1 274 . 1 1 25 25 PHE HD1 H 1 6.989 0.02 . 3 . . . . 25 PHE HD1 . 18942 1 275 . 1 1 25 25 PHE HD2 H 1 6.989 0.02 . 3 . . . . 25 PHE HD2 . 18942 1 276 . 1 1 25 25 PHE HE1 H 1 6.724 0.02 . 3 . . . . 25 PHE HE1 . 18942 1 277 . 1 1 25 25 PHE HE2 H 1 6.724 0.02 . 3 . . . . 25 PHE HE2 . 18942 1 278 . 1 1 25 25 PHE CA C 13 61.317 0.2 . 1 . . . . 25 PHE CA . 18942 1 279 . 1 1 25 25 PHE CB C 13 38.938 0.2 . 1 . . . . 25 PHE CB . 18942 1 280 . 1 1 25 25 PHE CD1 C 13 132.073 0.2 . 3 . . . . 25 PHE CD1 . 18942 1 281 . 1 1 25 25 PHE CD2 C 13 132.07 0.2 . 3 . . . . 25 PHE CD2 . 18942 1 282 . 1 1 25 25 PHE CE1 C 13 129.781 0.2 . 3 . . . . 25 PHE CE1 . 18942 1 283 . 1 1 25 25 PHE CE2 C 13 129.78 0.2 . 3 . . . . 25 PHE CE2 . 18942 1 284 . 1 1 25 25 PHE N N 15 118.992 0.2 . 1 . . . . 25 PHE N . 18942 1 285 . 1 1 26 26 LEU H H 1 8.016 0.02 . 1 . . . . 26 LEU H . 18942 1 286 . 1 1 26 26 LEU HA H 1 3.399 0.02 . 1 . . . . 26 LEU HA . 18942 1 287 . 1 1 26 26 LEU HB2 H 1 1.72 0.02 . 2 . . . . 26 LEU HB2 . 18942 1 288 . 1 1 26 26 LEU HB3 H 1 1.144 0.02 . 2 . . . . 26 LEU HB3 . 18942 1 289 . 1 1 26 26 LEU HG H 1 1.794 0.02 . 1 . . . . 26 LEU HG . 18942 1 290 . 1 1 26 26 LEU HD11 H 1 0.734 0.02 . 2 . . . . 26 LEU HD11 . 18942 1 291 . 1 1 26 26 LEU HD12 H 1 0.734 0.02 . 2 . . . . 26 LEU HD12 . 18942 1 292 . 1 1 26 26 LEU HD13 H 1 0.734 0.02 . 2 . . . . 26 LEU HD13 . 18942 1 293 . 1 1 26 26 LEU HD21 H 1 0.718 0.02 . 2 . . . . 26 LEU HD21 . 18942 1 294 . 1 1 26 26 LEU HD22 H 1 0.718 0.02 . 2 . . . . 26 LEU HD22 . 18942 1 295 . 1 1 26 26 LEU HD23 H 1 0.718 0.02 . 2 . . . . 26 LEU HD23 . 18942 1 296 . 1 1 26 26 LEU CA C 13 57.703 0.2 . 1 . . . . 26 LEU CA . 18942 1 297 . 1 1 26 26 LEU CB C 13 42.305 0.2 . 1 . . . . 26 LEU CB . 18942 1 298 . 1 1 26 26 LEU CG C 13 26.285 0.2 . 1 . . . . 26 LEU CG . 18942 1 299 . 1 1 26 26 LEU CD1 C 13 23.868 0.2 . 2 . . . . 26 LEU CD1 . 18942 1 300 . 1 1 26 26 LEU CD2 C 13 25.7 0.2 . 2 . . . . 26 LEU CD2 . 18942 1 301 . 1 1 26 26 LEU N N 15 116.171 0.2 . 1 . . . . 26 LEU N . 18942 1 302 . 1 1 27 27 ASN H H 1 7.842 0.02 . 1 . . . . 27 ASN H . 18942 1 303 . 1 1 27 27 ASN HA H 1 3.861 0.02 . 1 . . . . 27 ASN HA . 18942 1 304 . 1 1 27 27 ASN HB2 H 1 2.726 0.02 . 2 . . . . 27 ASN HB2 . 18942 1 305 . 1 1 27 27 ASN HB3 H 1 2.42 0.02 . 2 . . . . 27 ASN HB3 . 18942 1 306 . 1 1 27 27 ASN HD21 H 1 6.47 0.02 . 2 . . . . 27 ASN HD21 . 18942 1 307 . 1 1 27 27 ASN HD22 H 1 7.395 0.02 . 2 . . . . 27 ASN HD22 . 18942 1 308 . 1 1 27 27 ASN CA C 13 57.523 0.2 . 1 . . . . 27 ASN CA . 18942 1 309 . 1 1 27 27 ASN CB C 13 40.709 0.2 . 1 . . . . 27 ASN CB . 18942 1 310 . 1 1 27 27 ASN N N 15 115.679 0.2 . 1 . . . . 27 ASN N . 18942 1 311 . 1 1 27 27 ASN ND2 N 15 113.169 0.2 . 1 . . . . 27 ASN ND2 . 18942 1 312 . 1 1 28 28 ASP H H 1 7.802 0.02 . 1 . . . . 28 ASP H . 18942 1 313 . 1 1 28 28 ASP HA H 1 3.987 0.02 . 1 . . . . 28 ASP HA . 18942 1 314 . 1 1 28 28 ASP HB2 H 1 2.44 0.02 . 2 . . . . 28 ASP HB2 . 18942 1 315 . 1 1 28 28 ASP HB3 H 1 2.388 0.02 . 2 . . . . 28 ASP HB3 . 18942 1 316 . 1 1 28 28 ASP CA C 13 56.609 0.2 . 1 . . . . 28 ASP CA . 18942 1 317 . 1 1 28 28 ASP CB C 13 40.438 0.2 . 1 . . . . 28 ASP CB . 18942 1 318 . 1 1 28 28 ASP N N 15 117.819 0.2 . 1 . . . . 28 ASP N . 18942 1 319 . 1 1 29 29 LEU H H 1 7.97 0.02 . 1 . . . . 29 LEU H . 18942 1 320 . 1 1 29 29 LEU HA H 1 3.571 0.02 . 1 . . . . 29 LEU HA . 18942 1 321 . 1 1 29 29 LEU HB2 H 1 0.533 0.02 . 2 . . . . 29 LEU HB2 . 18942 1 322 . 1 1 29 29 LEU HB3 H 1 1.258 0.02 . 2 . . . . 29 LEU HB3 . 18942 1 323 . 1 1 29 29 LEU HG H 1 1.011 0.02 . 1 . . . . 29 LEU HG . 18942 1 324 . 1 1 29 29 LEU HD11 H 1 0.395 0.02 . 2 . . . . 29 LEU HD11 . 18942 1 325 . 1 1 29 29 LEU HD12 H 1 0.395 0.02 . 2 . . . . 29 LEU HD12 . 18942 1 326 . 1 1 29 29 LEU HD13 H 1 0.395 0.02 . 2 . . . . 29 LEU HD13 . 18942 1 327 . 1 1 29 29 LEU HD21 H 1 0.414 0.02 . 2 . . . . 29 LEU HD21 . 18942 1 328 . 1 1 29 29 LEU HD22 H 1 0.414 0.02 . 2 . . . . 29 LEU HD22 . 18942 1 329 . 1 1 29 29 LEU HD23 H 1 0.414 0.02 . 2 . . . . 29 LEU HD23 . 18942 1 330 . 1 1 29 29 LEU CA C 13 57.824 0.2 . 1 . . . . 29 LEU CA . 18942 1 331 . 1 1 29 29 LEU CB C 13 42.013 0.2 . 1 . . . . 29 LEU CB . 18942 1 332 . 1 1 29 29 LEU CG C 13 27.085 0.2 . 1 . . . . 29 LEU CG . 18942 1 333 . 1 1 29 29 LEU CD1 C 13 22.96 0.2 . 2 . . . . 29 LEU CD1 . 18942 1 334 . 1 1 29 29 LEU CD2 C 13 25.544 0.2 . 2 . . . . 29 LEU CD2 . 18942 1 335 . 1 1 29 29 LEU N N 15 119.15 0.2 . 1 . . . . 29 LEU N . 18942 1 336 . 1 1 30 30 LEU H H 1 8 0.02 . 1 . . . . 30 LEU H . 18942 1 337 . 1 1 30 30 LEU HA H 1 3.711 0.02 . 1 . . . . 30 LEU HA . 18942 1 338 . 1 1 30 30 LEU HB2 H 1 1.75 0.02 . 2 . . . . 30 LEU HB2 . 18942 1 339 . 1 1 30 30 LEU HB3 H 1 0.925 0.02 . 2 . . . . 30 LEU HB3 . 18942 1 340 . 1 1 30 30 LEU HD11 H 1 0.685 0.02 . 2 . . . . 30 LEU HD11 . 18942 1 341 . 1 1 30 30 LEU HD12 H 1 0.685 0.02 . 2 . . . . 30 LEU HD12 . 18942 1 342 . 1 1 30 30 LEU HD13 H 1 0.685 0.02 . 2 . . . . 30 LEU HD13 . 18942 1 343 . 1 1 30 30 LEU HD21 H 1 0.685 0.02 . 2 . . . . 30 LEU HD21 . 18942 1 344 . 1 1 30 30 LEU HD22 H 1 0.685 0.02 . 2 . . . . 30 LEU HD22 . 18942 1 345 . 1 1 30 30 LEU HD23 H 1 0.685 0.02 . 2 . . . . 30 LEU HD23 . 18942 1 346 . 1 1 30 30 LEU C C 13 178.917 0.2 . 1 . . . . 30 LEU C . 18942 1 347 . 1 1 30 30 LEU CA C 13 57.693 0.2 . 1 . . . . 30 LEU CA . 18942 1 348 . 1 1 30 30 LEU CB C 13 41.544 0.2 . 1 . . . . 30 LEU CB . 18942 1 349 . 1 1 30 30 LEU CD1 C 13 23.63 0.2 . 2 . . . . 30 LEU CD1 . 18942 1 350 . 1 1 30 30 LEU CD2 C 13 23.626 0.2 . 2 . . . . 30 LEU CD2 . 18942 1 351 . 1 1 30 30 LEU N N 15 115.701 0.2 . 1 . . . . 30 LEU N . 18942 1 352 . 1 1 31 31 GLU H H 1 7.88 0.02 . 1 . . . . 31 GLU H . 18942 1 353 . 1 1 31 31 GLU HA H 1 3.771 0.02 . 1 . . . . 31 GLU HA . 18942 1 354 . 1 1 31 31 GLU HB2 H 1 1.999 0.02 . 2 . . . . 31 GLU HB2 . 18942 1 355 . 1 1 31 31 GLU HB3 H 1 1.872 0.02 . 2 . . . . 31 GLU HB3 . 18942 1 356 . 1 1 31 31 GLU HG2 H 1 2.166 0.02 . 2 . . . . 31 GLU HG2 . 18942 1 357 . 1 1 31 31 GLU HG3 H 1 2.319 0.02 . 2 . . . . 31 GLU HG3 . 18942 1 358 . 1 1 31 31 GLU C C 13 177.554 0.2 . 1 . . . . 31 GLU C . 18942 1 359 . 1 1 31 31 GLU CA C 13 58.445 0.2 . 1 . . . . 31 GLU CA . 18942 1 360 . 1 1 31 31 GLU CB C 13 29.424 0.2 . 1 . . . . 31 GLU CB . 18942 1 361 . 1 1 31 31 GLU CG C 13 36.565 0.2 . 1 . . . . 31 GLU CG . 18942 1 362 . 1 1 31 31 GLU N N 15 114.625 0.2 . 1 . . . . 31 GLU N . 18942 1 363 . 1 1 32 32 ARG H H 1 7.014 0.02 . 1 . . . . 32 ARG H . 18942 1 364 . 1 1 32 32 ARG HA H 1 4.143 0.02 . 1 . . . . 32 ARG HA . 18942 1 365 . 1 1 32 32 ARG HB2 H 1 1.932 0.02 . 2 . . . . 32 ARG HB2 . 18942 1 366 . 1 1 32 32 ARG HB3 H 1 1.615 0.02 . 2 . . . . 32 ARG HB3 . 18942 1 367 . 1 1 32 32 ARG HG2 H 1 1.547 0.02 . 2 . . . . 32 ARG HG2 . 18942 1 368 . 1 1 32 32 ARG HG3 H 1 1.653 0.02 . 2 . . . . 32 ARG HG3 . 18942 1 369 . 1 1 32 32 ARG HD2 H 1 2.887 0.02 . 2 . . . . 32 ARG HD2 . 18942 1 370 . 1 1 32 32 ARG HD3 H 1 2.954 0.02 . 2 . . . . 32 ARG HD3 . 18942 1 371 . 1 1 32 32 ARG C C 13 175.851 0.2 . 1 . . . . 32 ARG C . 18942 1 372 . 1 1 32 32 ARG CA C 13 55.549 0.2 . 1 . . . . 32 ARG CA . 18942 1 373 . 1 1 32 32 ARG CB C 13 30.586 0.2 . 1 . . . . 32 ARG CB . 18942 1 374 . 1 1 32 32 ARG CG C 13 27.934 0.2 . 1 . . . . 32 ARG CG . 18942 1 375 . 1 1 32 32 ARG CD C 13 43.561 0.2 . 1 . . . . 32 ARG CD . 18942 1 376 . 1 1 32 32 ARG N N 15 115.39 0.2 . 1 . . . . 32 ARG N . 18942 1 377 . 1 1 33 33 MET H H 1 7.528 0.02 . 1 . . . . 33 MET H . 18942 1 378 . 1 1 33 33 MET HA H 1 4.465 0.02 . 1 . . . . 33 MET HA . 18942 1 379 . 1 1 33 33 MET HB2 H 1 2.057 0.02 . 2 . . . . 33 MET HB2 . 18942 1 380 . 1 1 33 33 MET HB3 H 1 1.482 0.02 . 2 . . . . 33 MET HB3 . 18942 1 381 . 1 1 33 33 MET HG2 H 1 2.461 0.02 . 2 . . . . 33 MET HG2 . 18942 1 382 . 1 1 33 33 MET HG3 H 1 2.35 0.02 . 2 . . . . 33 MET HG3 . 18942 1 383 . 1 1 33 33 MET HE1 H 1 1.59 0.02 . 1 . . . . 33 MET HE1 . 18942 1 384 . 1 1 33 33 MET HE2 H 1 1.59 0.02 . 1 . . . . 33 MET HE2 . 18942 1 385 . 1 1 33 33 MET HE3 H 1 1.59 0.02 . 1 . . . . 33 MET HE3 . 18942 1 386 . 1 1 33 33 MET C C 13 174.809 0.2 . 1 . . . . 33 MET C . 18942 1 387 . 1 1 33 33 MET CA C 13 54.694 0.2 . 1 . . . . 33 MET CA . 18942 1 388 . 1 1 33 33 MET CB C 13 35.436 0.2 . 1 . . . . 33 MET CB . 18942 1 389 . 1 1 33 33 MET CG C 13 33.292 0.2 . 1 . . . . 33 MET CG . 18942 1 390 . 1 1 33 33 MET CE C 13 18.091 0.2 . 1 . . . . 33 MET CE . 18942 1 391 . 1 1 33 33 MET N N 15 117.773 0.2 . 1 . . . . 33 MET N . 18942 1 392 . 1 1 34 34 ASP H H 1 8.784 0.02 . 1 . . . . 34 ASP H . 18942 1 393 . 1 1 34 34 ASP HA H 1 4.625 0.02 . 1 . . . . 34 ASP HA . 18942 1 394 . 1 1 34 34 ASP HB2 H 1 2.693 0.02 . 2 . . . . 34 ASP HB2 . 18942 1 395 . 1 1 34 34 ASP HB3 H 1 2.428 0.02 . 2 . . . . 34 ASP HB3 . 18942 1 396 . 1 1 34 34 ASP C C 13 173.878 0.2 . 1 . . . . 34 ASP C . 18942 1 397 . 1 1 34 34 ASP CA C 13 53.172 0.2 . 1 . . . . 34 ASP CA . 18942 1 398 . 1 1 34 34 ASP CB C 13 40.891 0.2 . 1 . . . . 34 ASP CB . 18942 1 399 . 1 1 34 34 ASP N N 15 124.265 0.2 . 1 . . . . 34 ASP N . 18942 1 400 . 1 1 35 35 ILE H H 1 7.188 0.02 . 1 . . . . 35 ILE H . 18942 1 401 . 1 1 35 35 ILE HA H 1 5.043 0.02 . 1 . . . . 35 ILE HA . 18942 1 402 . 1 1 35 35 ILE HB H 1 1.56 0.02 . 1 . . . . 35 ILE HB . 18942 1 403 . 1 1 35 35 ILE HG12 H 1 1.006 0.02 . 2 . . . . 35 ILE HG12 . 18942 1 404 . 1 1 35 35 ILE HG13 H 1 1.203 0.02 . 2 . . . . 35 ILE HG13 . 18942 1 405 . 1 1 35 35 ILE HG21 H 1 0.685 0.02 . 1 . . . . 35 ILE HG21 . 18942 1 406 . 1 1 35 35 ILE HG22 H 1 0.685 0.02 . 1 . . . . 35 ILE HG22 . 18942 1 407 . 1 1 35 35 ILE HG23 H 1 0.685 0.02 . 1 . . . . 35 ILE HG23 . 18942 1 408 . 1 1 35 35 ILE HD11 H 1 0.681 0.02 . 1 . . . . 35 ILE HD11 . 18942 1 409 . 1 1 35 35 ILE HD12 H 1 0.681 0.02 . 1 . . . . 35 ILE HD12 . 18942 1 410 . 1 1 35 35 ILE HD13 H 1 0.681 0.02 . 1 . . . . 35 ILE HD13 . 18942 1 411 . 1 1 35 35 ILE C C 13 176.589 0.2 . 1 . . . . 35 ILE C . 18942 1 412 . 1 1 35 35 ILE CA C 13 58.83 0.2 . 1 . . . . 35 ILE CA . 18942 1 413 . 1 1 35 35 ILE CB C 13 38.073 0.2 . 1 . . . . 35 ILE CB . 18942 1 414 . 1 1 35 35 ILE CG1 C 13 29.088 0.2 . 1 . . . . 35 ILE CG1 . 18942 1 415 . 1 1 35 35 ILE CG2 C 13 16.82 0.2 . 1 . . . . 35 ILE CG2 . 18942 1 416 . 1 1 35 35 ILE CD1 C 13 13.578 0.2 . 1 . . . . 35 ILE CD1 . 18942 1 417 . 1 1 35 35 ILE N N 15 124.213 0.2 . 1 . . . . 35 ILE N . 18942 1 418 . 1 1 36 36 GLY H H 1 8.748 0.02 . 1 . . . . 36 GLY H . 18942 1 419 . 1 1 36 36 GLY HA2 H 1 4.374 0.02 . 2 . . . . 36 GLY HA2 . 18942 1 420 . 1 1 36 36 GLY HA3 H 1 3.886 0.02 . 2 . . . . 36 GLY HA3 . 18942 1 421 . 1 1 36 36 GLY CA C 13 45.744 0.2 . 1 . . . . 36 GLY CA . 18942 1 422 . 1 1 36 36 GLY N N 15 113.742 0.2 . 1 . . . . 36 GLY N . 18942 1 423 . 1 1 37 37 PRO HA H 1 4.187 0.02 . 1 . . . . 37 PRO HA . 18942 1 424 . 1 1 37 37 PRO HB2 H 1 2.291 0.02 . 2 . . . . 37 PRO HB2 . 18942 1 425 . 1 1 37 37 PRO HB3 H 1 1.907 0.02 . 2 . . . . 37 PRO HB3 . 18942 1 426 . 1 1 37 37 PRO HG2 H 1 1.941 0.02 . 2 . . . . 37 PRO HG2 . 18942 1 427 . 1 1 37 37 PRO HG3 H 1 2.071 0.02 . 2 . . . . 37 PRO HG3 . 18942 1 428 . 1 1 37 37 PRO HD2 H 1 3.543 0.02 . 2 . . . . 37 PRO HD2 . 18942 1 429 . 1 1 37 37 PRO HD3 H 1 3.734 0.02 . 2 . . . . 37 PRO HD3 . 18942 1 430 . 1 1 37 37 PRO C C 13 178.427 0.2 . 1 . . . . 37 PRO C . 18942 1 431 . 1 1 37 37 PRO CA C 13 64.849 0.2 . 1 . . . . 37 PRO CA . 18942 1 432 . 1 1 37 37 PRO CB C 13 32.202 0.2 . 1 . . . . 37 PRO CB . 18942 1 433 . 1 1 37 37 PRO CG C 13 27.439 0.2 . 1 . . . . 37 PRO CG . 18942 1 434 . 1 1 37 37 PRO CD C 13 49.923 0.2 . 1 . . . . 37 PRO CD . 18942 1 435 . 1 1 38 38 LYS H H 1 8.262 0.02 . 1 . . . . 38 LYS H . 18942 1 436 . 1 1 38 38 LYS HA H 1 4.55 0.02 . 1 . . . . 38 LYS HA . 18942 1 437 . 1 1 38 38 LYS HB2 H 1 2.012 0.02 . 2 . . . . 38 LYS HB2 . 18942 1 438 . 1 1 38 38 LYS HB3 H 1 1.599 0.02 . 2 . . . . 38 LYS HB3 . 18942 1 439 . 1 1 38 38 LYS HG2 H 1 1.249 0.02 . 2 . . . . 38 LYS HG2 . 18942 1 440 . 1 1 38 38 LYS HG3 H 1 1.326 0.02 . 2 . . . . 38 LYS HG3 . 18942 1 441 . 1 1 38 38 LYS HD2 H 1 1.944 0.02 . 2 . . . . 38 LYS HD2 . 18942 1 442 . 1 1 38 38 LYS HD3 H 1 2.071 0.02 . 2 . . . . 38 LYS HD3 . 18942 1 443 . 1 1 38 38 LYS C C 13 176.306 0.2 . 1 . . . . 38 LYS C . 18942 1 444 . 1 1 38 38 LYS CA C 13 54.664 0.2 . 1 . . . . 38 LYS CA . 18942 1 445 . 1 1 38 38 LYS CB C 13 32.645 0.2 . 1 . . . . 38 LYS CB . 18942 1 446 . 1 1 38 38 LYS CG C 13 25.401 0.2 . 1 . . . . 38 LYS CG . 18942 1 447 . 1 1 38 38 LYS CD C 13 27.554 0.2 . 1 . . . . 38 LYS CD . 18942 1 448 . 1 1 38 38 LYS N N 15 117.201 0.2 . 1 . . . . 38 LYS N . 18942 1 449 . 1 1 39 39 GLN H H 1 7.68 0.02 . 1 . . . . 39 GLN H . 18942 1 450 . 1 1 39 39 GLN HA H 1 4.688 0.02 . 1 . . . . 39 GLN HA . 18942 1 451 . 1 1 39 39 GLN HB2 H 1 2.343 0.02 . 2 . . . . 39 GLN HB2 . 18942 1 452 . 1 1 39 39 GLN HB3 H 1 1.645 0.02 . 2 . . . . 39 GLN HB3 . 18942 1 453 . 1 1 39 39 GLN HG2 H 1 2.044 0.02 . 2 . . . . 39 GLN HG2 . 18942 1 454 . 1 1 39 39 GLN HG3 H 1 2.229 0.02 . 2 . . . . 39 GLN HG3 . 18942 1 455 . 1 1 39 39 GLN HE21 H 1 6.69 0.02 . 2 . . . . 39 GLN HE21 . 18942 1 456 . 1 1 39 39 GLN HE22 H 1 7.352 0.02 . 2 . . . . 39 GLN HE22 . 18942 1 457 . 1 1 39 39 GLN C C 13 176.105 0.2 . 1 . . . . 39 GLN C . 18942 1 458 . 1 1 39 39 GLN CA C 13 55.448 0.2 . 1 . . . . 39 GLN CA . 18942 1 459 . 1 1 39 39 GLN CB C 13 29.54 0.2 . 1 . . . . 39 GLN CB . 18942 1 460 . 1 1 39 39 GLN CG C 13 34.031 0.2 . 1 . . . . 39 GLN CG . 18942 1 461 . 1 1 39 39 GLN N N 15 122.507 0.2 . 1 . . . . 39 GLN N . 18942 1 462 . 1 1 39 39 GLN NE2 N 15 111.623 0.2 . 1 . . . . 39 GLN NE2 . 18942 1 463 . 1 1 40 40 THR H H 1 8.525 0.02 . 1 . . . . 40 THR H . 18942 1 464 . 1 1 40 40 THR HA H 1 5.097 0.02 . 1 . . . . 40 THR HA . 18942 1 465 . 1 1 40 40 THR HB H 1 3.977 0.02 . 1 . . . . 40 THR HB . 18942 1 466 . 1 1 40 40 THR HG21 H 1 1.102 0.02 . 1 . . . . 40 THR HG21 . 18942 1 467 . 1 1 40 40 THR HG22 H 1 1.102 0.02 . 1 . . . . 40 THR HG22 . 18942 1 468 . 1 1 40 40 THR HG23 H 1 1.102 0.02 . 1 . . . . 40 THR HG23 . 18942 1 469 . 1 1 40 40 THR C C 13 172.592 0.2 . 1 . . . . 40 THR C . 18942 1 470 . 1 1 40 40 THR CA C 13 63.65 0.2 . 1 . . . . 40 THR CA . 18942 1 471 . 1 1 40 40 THR CB C 13 69.597 0.2 . 1 . . . . 40 THR CB . 18942 1 472 . 1 1 40 40 THR CG2 C 13 23.262 0.2 . 1 . . . . 40 THR CG2 . 18942 1 473 . 1 1 40 40 THR N N 15 125.864 0.2 . 1 . . . . 40 THR N . 18942 1 474 . 1 1 41 41 GLN H H 1 8.821 0.02 . 1 . . . . 41 GLN H . 18942 1 475 . 1 1 41 41 GLN HA H 1 5.019 0.02 . 1 . . . . 41 GLN HA . 18942 1 476 . 1 1 41 41 GLN C C 13 174.312 0.2 . 1 . . . . 41 GLN C . 18942 1 477 . 1 1 41 41 GLN CA C 13 55.149 0.2 . 1 . . . . 41 GLN CA . 18942 1 478 . 1 1 41 41 GLN CB C 13 33.926 0.2 . 1 . . . . 41 GLN CB . 18942 1 479 . 1 1 41 41 GLN N N 15 123.702 0.2 . 1 . . . . 41 GLN N . 18942 1 480 . 1 1 42 42 VAL H H 1 8.135 0.02 . 1 . . . . 42 VAL H . 18942 1 481 . 1 1 42 42 VAL HA H 1 5.617 0.02 . 1 . . . . 42 VAL HA . 18942 1 482 . 1 1 42 42 VAL HB H 1 1.709 0.02 . 1 . . . . 42 VAL HB . 18942 1 483 . 1 1 42 42 VAL HG11 H 1 0.765 0.02 . 2 . . . . 42 VAL HG11 . 18942 1 484 . 1 1 42 42 VAL HG12 H 1 0.765 0.02 . 2 . . . . 42 VAL HG12 . 18942 1 485 . 1 1 42 42 VAL HG13 H 1 0.765 0.02 . 2 . . . . 42 VAL HG13 . 18942 1 486 . 1 1 42 42 VAL C C 13 173.505 0.2 . 1 . . . . 42 VAL C . 18942 1 487 . 1 1 42 42 VAL CA C 13 60.005 0.2 . 1 . . . . 42 VAL CA . 18942 1 488 . 1 1 42 42 VAL CB C 13 36.835 0.2 . 1 . . . . 42 VAL CB . 18942 1 489 . 1 1 42 42 VAL CG1 C 13 22.215 0.2 . 2 . . . . 42 VAL CG1 . 18942 1 490 . 1 1 42 42 VAL N N 15 119.48 0.2 . 1 . . . . 42 VAL N . 18942 1 491 . 1 1 43 43 GLY H H 1 8.606 0.02 . 1 . . . . 43 GLY H . 18942 1 492 . 1 1 43 43 GLY HA2 H 1 4.428 0.02 . 2 . . . . 43 GLY HA2 . 18942 1 493 . 1 1 43 43 GLY HA3 H 1 4.428 0.02 . 2 . . . . 43 GLY HA3 . 18942 1 494 . 1 1 43 43 GLY C C 13 172.196 0.2 . 1 . . . . 43 GLY C . 18942 1 495 . 1 1 43 43 GLY CA C 13 43.29 0.2 . 1 . . . . 43 GLY CA . 18942 1 496 . 1 1 43 43 GLY N N 15 111.72 0.2 . 1 . . . . 43 GLY N . 18942 1 497 . 1 1 44 44 ILE H H 1 7.361 0.02 . 1 . . . . 44 ILE H . 18942 1 498 . 1 1 44 44 ILE HA H 1 5.085 0.02 . 1 . . . . 44 ILE HA . 18942 1 499 . 1 1 44 44 ILE HB H 1 0.626 0.02 . 1 . . . . 44 ILE HB . 18942 1 500 . 1 1 44 44 ILE HG12 H 1 0.855 0.02 . 1 . . . . 44 ILE HG12 . 18942 1 501 . 1 1 44 44 ILE HG13 H 1 0.855 0.02 . 1 . . . . 44 ILE HG13 . 18942 1 502 . 1 1 44 44 ILE HG21 H 1 0.579 0.02 . 1 . . . . 44 ILE HG21 . 18942 1 503 . 1 1 44 44 ILE HG22 H 1 0.579 0.02 . 1 . . . . 44 ILE HG22 . 18942 1 504 . 1 1 44 44 ILE HG23 H 1 0.579 0.02 . 1 . . . . 44 ILE HG23 . 18942 1 505 . 1 1 44 44 ILE HD11 H 1 0.599 0.02 . 1 . . . . 44 ILE HD11 . 18942 1 506 . 1 1 44 44 ILE HD12 H 1 0.599 0.02 . 1 . . . . 44 ILE HD12 . 18942 1 507 . 1 1 44 44 ILE HD13 H 1 0.599 0.02 . 1 . . . . 44 ILE HD13 . 18942 1 508 . 1 1 44 44 ILE C C 13 174.136 0.2 . 1 . . . . 44 ILE C . 18942 1 509 . 1 1 44 44 ILE CA C 13 60.846 0.2 . 1 . . . . 44 ILE CA . 18942 1 510 . 1 1 44 44 ILE CB C 13 41.252 0.2 . 1 . . . . 44 ILE CB . 18942 1 511 . 1 1 44 44 ILE CG1 C 13 27.487 0.2 . 1 . . . . 44 ILE CG1 . 18942 1 512 . 1 1 44 44 ILE CG2 C 13 16.699 0.2 . 1 . . . . 44 ILE CG2 . 18942 1 513 . 1 1 44 44 ILE CD1 C 13 14.602 0.2 . 1 . . . . 44 ILE CD1 . 18942 1 514 . 1 1 44 44 ILE N N 15 116.145 0.2 . 1 . . . . 44 ILE N . 18942 1 515 . 1 1 45 45 VAL H H 1 9.245 0.02 . 1 . . . . 45 VAL H . 18942 1 516 . 1 1 45 45 VAL HA H 1 4.541 0.02 . 1 . . . . 45 VAL HA . 18942 1 517 . 1 1 45 45 VAL HB H 1 1.635 0.02 . 1 . . . . 45 VAL HB . 18942 1 518 . 1 1 45 45 VAL HG11 H 1 0.469 0.02 . 2 . . . . 45 VAL HG11 . 18942 1 519 . 1 1 45 45 VAL HG12 H 1 0.469 0.02 . 2 . . . . 45 VAL HG12 . 18942 1 520 . 1 1 45 45 VAL HG13 H 1 0.469 0.02 . 2 . . . . 45 VAL HG13 . 18942 1 521 . 1 1 45 45 VAL HG21 H 1 0.61 0.02 . 2 . . . . 45 VAL HG21 . 18942 1 522 . 1 1 45 45 VAL HG22 H 1 0.61 0.02 . 2 . . . . 45 VAL HG22 . 18942 1 523 . 1 1 45 45 VAL HG23 H 1 0.61 0.02 . 2 . . . . 45 VAL HG23 . 18942 1 524 . 1 1 45 45 VAL C C 13 173.113 0.2 . 1 . . . . 45 VAL C . 18942 1 525 . 1 1 45 45 VAL CA C 13 59.832 0.2 . 1 . . . . 45 VAL CA . 18942 1 526 . 1 1 45 45 VAL CB C 13 35.735 0.2 . 1 . . . . 45 VAL CB . 18942 1 527 . 1 1 45 45 VAL CG1 C 13 21.976 0.2 . 2 . . . . 45 VAL CG1 . 18942 1 528 . 1 1 45 45 VAL CG2 C 13 22.237 0.2 . 2 . . . . 45 VAL CG2 . 18942 1 529 . 1 1 45 45 VAL N N 15 127.8 0.2 . 1 . . . . 45 VAL N . 18942 1 530 . 1 1 46 46 GLN H H 1 9.333 0.02 . 1 . . . . 46 GLN H . 18942 1 531 . 1 1 46 46 GLN HA H 1 5.906 0.02 . 1 . . . . 46 GLN HA . 18942 1 532 . 1 1 46 46 GLN HB2 H 1 2.086 0.02 . 2 . . . . 46 GLN HB2 . 18942 1 533 . 1 1 46 46 GLN HB3 H 1 2.086 0.02 . 2 . . . . 46 GLN HB3 . 18942 1 534 . 1 1 46 46 GLN HG2 H 1 2.101 0.02 . 2 . . . . 46 GLN HG2 . 18942 1 535 . 1 1 46 46 GLN HG3 H 1 2.519 0.02 . 2 . . . . 46 GLN HG3 . 18942 1 536 . 1 1 46 46 GLN C C 13 173.879 0.2 . 1 . . . . 46 GLN C . 18942 1 537 . 1 1 46 46 GLN CA C 13 53.759 0.2 . 1 . . . . 46 GLN CA . 18942 1 538 . 1 1 46 46 GLN CB C 13 32.485 0.2 . 1 . . . . 46 GLN CB . 18942 1 539 . 1 1 46 46 GLN CG C 13 35.72 0.2 . 1 . . . . 46 GLN CG . 18942 1 540 . 1 1 46 46 GLN N N 15 125.57 0.2 . 1 . . . . 46 GLN N . 18942 1 541 . 1 1 47 47 TYR H H 1 9.3 0.02 . 1 . . . . 47 TYR H . 18942 1 542 . 1 1 47 47 TYR HA H 1 5.865 0.02 . 1 . . . . 47 TYR HA . 18942 1 543 . 1 1 47 47 TYR HB2 H 1 2.898 0.02 . 2 . . . . 47 TYR HB2 . 18942 1 544 . 1 1 47 47 TYR HB3 H 1 2.864 0.02 . 2 . . . . 47 TYR HB3 . 18942 1 545 . 1 1 47 47 TYR HD1 H 1 6.52 0.02 . 3 . . . . 47 TYR HD1 . 18942 1 546 . 1 1 47 47 TYR HD2 H 1 6.52 0.02 . 3 . . . . 47 TYR HD2 . 18942 1 547 . 1 1 47 47 TYR HE1 H 1 6.387 0.02 . 3 . . . . 47 TYR HE1 . 18942 1 548 . 1 1 47 47 TYR HE2 H 1 6.387 0.02 . 3 . . . . 47 TYR HE2 . 18942 1 549 . 1 1 47 47 TYR C C 13 172.762 0.2 . 1 . . . . 47 TYR C . 18942 1 550 . 1 1 47 47 TYR CA C 13 55.419 0.2 . 1 . . . . 47 TYR CA . 18942 1 551 . 1 1 47 47 TYR CB C 13 44.504 0.2 . 1 . . . . 47 TYR CB . 18942 1 552 . 1 1 47 47 TYR CD1 C 13 132.275 0.2 . 3 . . . . 47 TYR CD1 . 18942 1 553 . 1 1 47 47 TYR CD2 C 13 132.28 0.2 . 3 . . . . 47 TYR CD2 . 18942 1 554 . 1 1 47 47 TYR CE1 C 13 117.859 0.2 . 3 . . . . 47 TYR CE1 . 18942 1 555 . 1 1 47 47 TYR N N 15 124.508 0.2 . 1 . . . . 47 TYR N . 18942 1 556 . 1 1 48 48 GLY H H 1 7.894 0.02 . 1 . . . . 48 GLY H . 18942 1 557 . 1 1 48 48 GLY HA2 H 1 3.637 0.02 . 2 . . . . 48 GLY HA2 . 18942 1 558 . 1 1 48 48 GLY HA3 H 1 3.804 0.02 . 2 . . . . 48 GLY HA3 . 18942 1 559 . 1 1 48 48 GLY C C 13 172.936 0.2 . 1 . . . . 48 GLY C . 18942 1 560 . 1 1 48 48 GLY CA C 13 48.04 0.2 . 1 . . . . 48 GLY CA . 18942 1 561 . 1 1 48 48 GLY N N 15 108.787 0.2 . 1 . . . . 48 GLY N . 18942 1 562 . 1 1 49 49 GLU H H 1 9.355 0.02 . 1 . . . . 49 GLU H . 18942 1 563 . 1 1 49 49 GLU HA H 1 3.959 0.02 . 1 . . . . 49 GLU HA . 18942 1 564 . 1 1 49 49 GLU HB2 H 1 2.047 0.02 . 2 . . . . 49 GLU HB2 . 18942 1 565 . 1 1 49 49 GLU HB3 H 1 1.816 0.02 . 2 . . . . 49 GLU HB3 . 18942 1 566 . 1 1 49 49 GLU HG2 H 1 2.224 0.02 . 2 . . . . 49 GLU HG2 . 18942 1 567 . 1 1 49 49 GLU HG3 H 1 2.224 0.02 . 2 . . . . 49 GLU HG3 . 18942 1 568 . 1 1 49 49 GLU C C 13 174.96 0.2 . 1 . . . . 49 GLU C . 18942 1 569 . 1 1 49 49 GLU CA C 13 58.254 0.2 . 1 . . . . 49 GLU CA . 18942 1 570 . 1 1 49 49 GLU CB C 13 30.943 0.2 . 1 . . . . 49 GLU CB . 18942 1 571 . 1 1 49 49 GLU CG C 13 38.421 0.2 . 1 . . . . 49 GLU CG . 18942 1 572 . 1 1 49 49 GLU N N 15 128.08 0.2 . 1 . . . . 49 GLU N . 18942 1 573 . 1 1 50 50 ASN H H 1 7.494 0.02 . 1 . . . . 50 ASN H . 18942 1 574 . 1 1 50 50 ASN HA H 1 4.69 0.02 . 1 . . . . 50 ASN HA . 18942 1 575 . 1 1 50 50 ASN HB2 H 1 2.731 0.02 . 2 . . . . 50 ASN HB2 . 18942 1 576 . 1 1 50 50 ASN HB3 H 1 2.812 0.02 . 2 . . . . 50 ASN HB3 . 18942 1 577 . 1 1 50 50 ASN HD21 H 1 7.554 0.02 . 2 . . . . 50 ASN HD21 . 18942 1 578 . 1 1 50 50 ASN HD22 H 1 6.819 0.02 . 2 . . . . 50 ASN HD22 . 18942 1 579 . 1 1 50 50 ASN C C 13 174.229 0.2 . 1 . . . . 50 ASN C . 18942 1 580 . 1 1 50 50 ASN CA C 13 50.806 0.2 . 1 . . . . 50 ASN CA . 18942 1 581 . 1 1 50 50 ASN CB C 13 41.127 0.2 . 1 . . . . 50 ASN CB . 18942 1 582 . 1 1 50 50 ASN N N 15 113.65 0.2 . 1 . . . . 50 ASN N . 18942 1 583 . 1 1 50 50 ASN ND2 N 15 112.893 0.2 . 1 . . . . 50 ASN ND2 . 18942 1 584 . 1 1 51 51 VAL H H 1 8.647 0.02 . 1 . . . . 51 VAL H . 18942 1 585 . 1 1 51 51 VAL HA H 1 4.55 0.02 . 1 . . . . 51 VAL HA . 18942 1 586 . 1 1 51 51 VAL HB H 1 1.815 0.02 . 1 . . . . 51 VAL HB . 18942 1 587 . 1 1 51 51 VAL HG11 H 1 0.552 0.02 . 1 . . . . 51 VAL HG11 . 18942 1 588 . 1 1 51 51 VAL HG12 H 1 0.552 0.02 . 1 . . . . 51 VAL HG12 . 18942 1 589 . 1 1 51 51 VAL HG13 H 1 0.552 0.02 . 1 . . . . 51 VAL HG13 . 18942 1 590 . 1 1 51 51 VAL HG21 H 1 0.725 0.02 . 2 . . . . 51 VAL HG21 . 18942 1 591 . 1 1 51 51 VAL HG22 H 1 0.725 0.02 . 2 . . . . 51 VAL HG22 . 18942 1 592 . 1 1 51 51 VAL HG23 H 1 0.725 0.02 . 2 . . . . 51 VAL HG23 . 18942 1 593 . 1 1 51 51 VAL C C 13 174.904 0.2 . 1 . . . . 51 VAL C . 18942 1 594 . 1 1 51 51 VAL CA C 13 62.73 0.2 . 1 . . . . 51 VAL CA . 18942 1 595 . 1 1 51 51 VAL CB C 13 34.034 0.2 . 1 . . . . 51 VAL CB . 18942 1 596 . 1 1 51 51 VAL CG1 C 13 22.074 0.2 . 2 . . . . 51 VAL CG1 . 18942 1 597 . 1 1 51 51 VAL CG2 C 13 22.14 0.2 . 2 . . . . 51 VAL CG2 . 18942 1 598 . 1 1 51 51 VAL N N 15 119.885 0.2 . 1 . . . . 51 VAL N . 18942 1 599 . 1 1 52 52 THR H H 1 9.183 0.02 . 1 . . . . 52 THR H . 18942 1 600 . 1 1 52 52 THR HA H 1 4.42 0.02 . 1 . . . . 52 THR HA . 18942 1 601 . 1 1 52 52 THR HB H 1 3.644 0.02 . 1 . . . . 52 THR HB . 18942 1 602 . 1 1 52 52 THR HG21 H 1 0.92 0.02 . 1 . . . . 52 THR HG21 . 18942 1 603 . 1 1 52 52 THR HG22 H 1 0.92 0.02 . 1 . . . . 52 THR HG22 . 18942 1 604 . 1 1 52 52 THR HG23 H 1 0.92 0.02 . 1 . . . . 52 THR HG23 . 18942 1 605 . 1 1 52 52 THR C C 13 173.383 0.2 . 1 . . . . 52 THR C . 18942 1 606 . 1 1 52 52 THR CA C 13 61.809 0.2 . 1 . . . . 52 THR CA . 18942 1 607 . 1 1 52 52 THR CB C 13 71.943 0.2 . 1 . . . . 52 THR CB . 18942 1 608 . 1 1 52 52 THR CG2 C 13 21.033 0.2 . 1 . . . . 52 THR CG2 . 18942 1 609 . 1 1 52 52 THR N N 15 123.785 0.2 . 1 . . . . 52 THR N . 18942 1 610 . 1 1 53 53 HIS H H 1 8.995 0.02 . 1 . . . . 53 HIS H . 18942 1 611 . 1 1 53 53 HIS HA H 1 4.329 0.02 . 1 . . . . 53 HIS HA . 18942 1 612 . 1 1 53 53 HIS HB2 H 1 2.582 0.02 . 2 . . . . 53 HIS HB2 . 18942 1 613 . 1 1 53 53 HIS HB3 H 1 2.982 0.02 . 2 . . . . 53 HIS HB3 . 18942 1 614 . 1 1 53 53 HIS HD2 H 1 6.985 0.02 . 1 . . . . 53 HIS HD2 . 18942 1 615 . 1 1 53 53 HIS HE1 H 1 7.744 0.02 . 1 . . . . 53 HIS HE1 . 18942 1 616 . 1 1 53 53 HIS C C 13 175.728 0.2 . 1 . . . . 53 HIS C . 18942 1 617 . 1 1 53 53 HIS CA C 13 57.162 0.2 . 1 . . . . 53 HIS CA . 18942 1 618 . 1 1 53 53 HIS CB C 13 31.084 0.2 . 1 . . . . 53 HIS CB . 18942 1 619 . 1 1 53 53 HIS CD2 C 13 118.71 0.2 . 1 . . . . 53 HIS CD2 . 18942 1 620 . 1 1 53 53 HIS CE1 C 13 138.96 0.2 . 1 . . . . 53 HIS CE1 . 18942 1 621 . 1 1 53 53 HIS N N 15 127.361 0.2 . 1 . . . . 53 HIS N . 18942 1 622 . 1 1 54 54 GLU H H 1 8.901 0.02 . 1 . . . . 54 GLU H . 18942 1 623 . 1 1 54 54 GLU HA H 1 4.506 0.02 . 1 . . . . 54 GLU HA . 18942 1 624 . 1 1 54 54 GLU HB2 H 1 1.405 0.02 . 2 . . . . 54 GLU HB2 . 18942 1 625 . 1 1 54 54 GLU HB3 H 1 1.405 0.02 . 2 . . . . 54 GLU HB3 . 18942 1 626 . 1 1 54 54 GLU C C 13 178.106 0.2 . 1 . . . . 54 GLU C . 18942 1 627 . 1 1 54 54 GLU CA C 13 57.886 0.2 . 1 . . . . 54 GLU CA . 18942 1 628 . 1 1 54 54 GLU CB C 13 28.57 0.2 . 1 . . . . 54 GLU CB . 18942 1 629 . 1 1 54 54 GLU N N 15 127.64 0.2 . 1 . . . . 54 GLU N . 18942 1 630 . 1 1 55 55 PHE H H 1 7.351 0.02 . 1 . . . . 55 PHE H . 18942 1 631 . 1 1 55 55 PHE HA H 1 4.616 0.02 . 1 . . . . 55 PHE HA . 18942 1 632 . 1 1 55 55 PHE HB2 H 1 3.815 0.02 . 2 . . . . 55 PHE HB2 . 18942 1 633 . 1 1 55 55 PHE HB3 H 1 2.914 0.02 . 2 . . . . 55 PHE HB3 . 18942 1 634 . 1 1 55 55 PHE HD1 H 1 7.431 0.02 . 3 . . . . 55 PHE HD1 . 18942 1 635 . 1 1 55 55 PHE HD2 H 1 7.431 0.02 . 3 . . . . 55 PHE HD2 . 18942 1 636 . 1 1 55 55 PHE C C 13 174.32 0.2 . 1 . . . . 55 PHE C . 18942 1 637 . 1 1 55 55 PHE CA C 13 57.044 0.2 . 1 . . . . 55 PHE CA . 18942 1 638 . 1 1 55 55 PHE CB C 13 40.763 0.2 . 1 . . . . 55 PHE CB . 18942 1 639 . 1 1 55 55 PHE CD1 C 13 134.041 0.2 . 3 . . . . 55 PHE CD1 . 18942 1 640 . 1 1 55 55 PHE CD2 C 13 134.04 0.2 . 3 . . . . 55 PHE CD2 . 18942 1 641 . 1 1 56 56 ASN H H 1 8.378 0.02 . 1 . . . . 56 ASN H . 18942 1 642 . 1 1 56 56 ASN HA H 1 5.024 0.02 . 1 . . . . 56 ASN HA . 18942 1 643 . 1 1 56 56 ASN HB2 H 1 2.561 0.02 . 2 . . . . 56 ASN HB2 . 18942 1 644 . 1 1 56 56 ASN HB3 H 1 2.561 0.02 . 2 . . . . 56 ASN HB3 . 18942 1 645 . 1 1 56 56 ASN CA C 13 52.079 0.2 . 1 . . . . 56 ASN CA . 18942 1 646 . 1 1 56 56 ASN CB C 13 39.705 0.2 . 1 . . . . 56 ASN CB . 18942 1 647 . 1 1 56 56 ASN N N 15 120.216 0.2 . 1 . . . . 56 ASN N . 18942 1 648 . 1 1 57 57 LEU HA H 1 3.838 0.02 . 1 . . . . 57 LEU HA . 18942 1 649 . 1 1 57 57 LEU HB2 H 1 0.934 0.02 . 2 . . . . 57 LEU HB2 . 18942 1 650 . 1 1 57 57 LEU HB3 H 1 1.73 0.02 . 2 . . . . 57 LEU HB3 . 18942 1 651 . 1 1 57 57 LEU HD11 H 1 0.579 0.02 . 2 . . . . 57 LEU HD11 . 18942 1 652 . 1 1 57 57 LEU HD12 H 1 0.579 0.02 . 2 . . . . 57 LEU HD12 . 18942 1 653 . 1 1 57 57 LEU HD13 H 1 0.579 0.02 . 2 . . . . 57 LEU HD13 . 18942 1 654 . 1 1 57 57 LEU HD21 H 1 0.531 0.02 . 2 . . . . 57 LEU HD21 . 18942 1 655 . 1 1 57 57 LEU HD22 H 1 0.531 0.02 . 2 . . . . 57 LEU HD22 . 18942 1 656 . 1 1 57 57 LEU HD23 H 1 0.531 0.02 . 2 . . . . 57 LEU HD23 . 18942 1 657 . 1 1 57 57 LEU C C 13 175.843 0.2 . 1 . . . . 57 LEU C . 18942 1 658 . 1 1 57 57 LEU CA C 13 58.498 0.2 . 1 . . . . 57 LEU CA . 18942 1 659 . 1 1 57 57 LEU CB C 13 43.994 0.2 . 1 . . . . 57 LEU CB . 18942 1 660 . 1 1 57 57 LEU CD1 C 13 26.116 0.2 . 2 . . . . 57 LEU CD1 . 18942 1 661 . 1 1 57 57 LEU CD2 C 13 26.76 0.2 . 2 . . . . 57 LEU CD2 . 18942 1 662 . 1 1 58 58 ASN H H 1 7.345 0.02 . 1 . . . . 58 ASN H . 18942 1 663 . 1 1 58 58 ASN HA H 1 4.718 0.02 . 1 . . . . 58 ASN HA . 18942 1 664 . 1 1 58 58 ASN HB2 H 1 3.261 0.02 . 2 . . . . 58 ASN HB2 . 18942 1 665 . 1 1 58 58 ASN HB3 H 1 2.517 0.02 . 2 . . . . 58 ASN HB3 . 18942 1 666 . 1 1 58 58 ASN HD21 H 1 6.591 0.02 . 2 . . . . 58 ASN HD21 . 18942 1 667 . 1 1 58 58 ASN HD22 H 1 7.533 0.02 . 2 . . . . 58 ASN HD22 . 18942 1 668 . 1 1 58 58 ASN C C 13 177.051 0.2 . 1 . . . . 58 ASN C . 18942 1 669 . 1 1 58 58 ASN CA C 13 50.879 0.2 . 1 . . . . 58 ASN CA . 18942 1 670 . 1 1 58 58 ASN CB C 13 38.911 0.2 . 1 . . . . 58 ASN CB . 18942 1 671 . 1 1 58 58 ASN N N 15 109.176 0.2 . 1 . . . . 58 ASN N . 18942 1 672 . 1 1 58 58 ASN ND2 N 15 108.762 0.2 . 1 . . . . 58 ASN ND2 . 18942 1 673 . 1 1 59 59 LYS H H 1 7.793 0.02 . 1 . . . . 59 LYS H . 18942 1 674 . 1 1 59 59 LYS HA H 1 3.682 0.02 . 1 . . . . 59 LYS HA . 18942 1 675 . 1 1 59 59 LYS HB2 H 1 1.709 0.02 . 2 . . . . 59 LYS HB2 . 18942 1 676 . 1 1 59 59 LYS HB3 H 1 1.524 0.02 . 2 . . . . 59 LYS HB3 . 18942 1 677 . 1 1 59 59 LYS HG2 H 1 0.425 0.02 . 2 . . . . 59 LYS HG2 . 18942 1 678 . 1 1 59 59 LYS HG3 H 1 -0.24 0.02 . 2 . . . . 59 LYS HG3 . 18942 1 679 . 1 1 59 59 LYS HD2 H 1 1.308 0.02 . 2 . . . . 59 LYS HD2 . 18942 1 680 . 1 1 59 59 LYS HD3 H 1 1.53 0.02 . 2 . . . . 59 LYS HD3 . 18942 1 681 . 1 1 59 59 LYS C C 13 176.38 0.2 . 1 . . . . 59 LYS C . 18942 1 682 . 1 1 59 59 LYS CA C 13 59.241 0.2 . 1 . . . . 59 LYS CA . 18942 1 683 . 1 1 59 59 LYS CB C 13 32.863 0.2 . 1 . . . . 59 LYS CB . 18942 1 684 . 1 1 59 59 LYS CG C 13 24.6 0.2 . 1 . . . . 59 LYS CG . 18942 1 685 . 1 1 59 59 LYS CD C 13 28.395 0.2 . 1 . . . . 59 LYS CD . 18942 1 686 . 1 1 59 59 LYS N N 15 122.47 0.2 . 1 . . . . 59 LYS N . 18942 1 687 . 1 1 60 60 TYR H H 1 8.838 0.02 . 1 . . . . 60 TYR H . 18942 1 688 . 1 1 60 60 TYR HA H 1 4.848 0.02 . 1 . . . . 60 TYR HA . 18942 1 689 . 1 1 60 60 TYR HB2 H 1 2.559 0.02 . 2 . . . . 60 TYR HB2 . 18942 1 690 . 1 1 60 60 TYR HB3 H 1 2.771 0.02 . 2 . . . . 60 TYR HB3 . 18942 1 691 . 1 1 60 60 TYR C C 13 176.551 0.2 . 1 . . . . 60 TYR C . 18942 1 692 . 1 1 60 60 TYR CA C 13 56.785 0.2 . 1 . . . . 60 TYR CA . 18942 1 693 . 1 1 60 60 TYR CB C 13 40.587 0.2 . 1 . . . . 60 TYR CB . 18942 1 694 . 1 1 60 60 TYR N N 15 116.308 0.2 . 1 . . . . 60 TYR N . 18942 1 695 . 1 1 61 61 SER H H 1 8.869 0.02 . 1 . . . . 61 SER H . 18942 1 696 . 1 1 61 61 SER HA H 1 4.493 0.02 . 1 . . . . 61 SER HA . 18942 1 697 . 1 1 61 61 SER HB2 H 1 4.042 0.02 . 2 . . . . 61 SER HB2 . 18942 1 698 . 1 1 61 61 SER HB3 H 1 3.812 0.02 . 2 . . . . 61 SER HB3 . 18942 1 699 . 1 1 61 61 SER C C 13 172.093 0.2 . 1 . . . . 61 SER C . 18942 1 700 . 1 1 61 61 SER CA C 13 57.686 0.2 . 1 . . . . 61 SER CA . 18942 1 701 . 1 1 61 61 SER CB C 13 64.641 0.2 . 1 . . . . 61 SER CB . 18942 1 702 . 1 1 61 61 SER N N 15 114.374 0.2 . 1 . . . . 61 SER N . 18942 1 703 . 1 1 62 62 SER H H 1 7.236 0.02 . 1 . . . . 62 SER H . 18942 1 704 . 1 1 62 62 SER HA H 1 5.056 0.02 . 1 . . . . 62 SER HA . 18942 1 705 . 1 1 62 62 SER HB2 H 1 4.206 0.02 . 2 . . . . 62 SER HB2 . 18942 1 706 . 1 1 62 62 SER HB3 H 1 3.923 0.02 . 2 . . . . 62 SER HB3 . 18942 1 707 . 1 1 62 62 SER C C 13 174.355 0.2 . 1 . . . . 62 SER C . 18942 1 708 . 1 1 62 62 SER CA C 13 56.928 0.2 . 1 . . . . 62 SER CA . 18942 1 709 . 1 1 62 62 SER CB C 13 67.154 0.2 . 1 . . . . 62 SER CB . 18942 1 710 . 1 1 62 62 SER N N 15 111.843 0.2 . 1 . . . . 62 SER N . 18942 1 711 . 1 1 63 63 THR H H 1 9.263 0.02 . 1 . . . . 63 THR H . 18942 1 712 . 1 1 63 63 THR HA H 1 4.101 0.02 . 1 . . . . 63 THR HA . 18942 1 713 . 1 1 63 63 THR HB H 1 3.677 0.02 . 1 . . . . 63 THR HB . 18942 1 714 . 1 1 63 63 THR HG21 H 1 1.217 0.02 . 1 . . . . 63 THR HG21 . 18942 1 715 . 1 1 63 63 THR HG22 H 1 1.217 0.02 . 1 . . . . 63 THR HG22 . 18942 1 716 . 1 1 63 63 THR HG23 H 1 1.217 0.02 . 1 . . . . 63 THR HG23 . 18942 1 717 . 1 1 63 63 THR C C 13 175.543 0.2 . 1 . . . . 63 THR C . 18942 1 718 . 1 1 63 63 THR CA C 13 69.245 0.2 . 1 . . . . 63 THR CA . 18942 1 719 . 1 1 63 63 THR CB C 13 67.203 0.2 . 1 . . . . 63 THR CB . 18942 1 720 . 1 1 63 63 THR CG2 C 13 22.558 0.2 . 1 . . . . 63 THR CG2 . 18942 1 721 . 1 1 63 63 THR N N 15 121.325 0.2 . 1 . . . . 63 THR N . 18942 1 722 . 1 1 64 64 GLU H H 1 8.873 0.02 . 1 . . . . 64 GLU H . 18942 1 723 . 1 1 64 64 GLU HA H 1 3.747 0.02 . 1 . . . . 64 GLU HA . 18942 1 724 . 1 1 64 64 GLU HB2 H 1 1.966 0.02 . 2 . . . . 64 GLU HB2 . 18942 1 725 . 1 1 64 64 GLU HB3 H 1 1.819 0.02 . 2 . . . . 64 GLU HB3 . 18942 1 726 . 1 1 64 64 GLU C C 13 178.754 0.2 . 1 . . . . 64 GLU C . 18942 1 727 . 1 1 64 64 GLU CA C 13 60.437 0.2 . 1 . . . . 64 GLU CA . 18942 1 728 . 1 1 64 64 GLU CB C 13 29.466 0.2 . 1 . . . . 64 GLU CB . 18942 1 729 . 1 1 64 64 GLU N N 15 119.922 0.2 . 1 . . . . 64 GLU N . 18942 1 730 . 1 1 65 65 GLU H H 1 7.299 0.02 . 1 . . . . 65 GLU H . 18942 1 731 . 1 1 65 65 GLU HA H 1 3.67 0.02 . 1 . . . . 65 GLU HA . 18942 1 732 . 1 1 65 65 GLU HB2 H 1 1.973 0.02 . 2 . . . . 65 GLU HB2 . 18942 1 733 . 1 1 65 65 GLU HB3 H 1 1.973 0.02 . 2 . . . . 65 GLU HB3 . 18942 1 734 . 1 1 65 65 GLU HG2 H 1 2.277 0.02 . 2 . . . . 65 GLU HG2 . 18942 1 735 . 1 1 65 65 GLU HG3 H 1 2.202 0.02 . 2 . . . . 65 GLU HG3 . 18942 1 736 . 1 1 65 65 GLU CA C 13 59.051 0.2 . 1 . . . . 65 GLU CA . 18942 1 737 . 1 1 65 65 GLU CB C 13 31.338 0.2 . 1 . . . . 65 GLU CB . 18942 1 738 . 1 1 65 65 GLU CG C 13 36.463 0.2 . 1 . . . . 65 GLU CG . 18942 1 739 . 1 1 65 65 GLU N N 15 115.387 0.2 . 1 . . . . 65 GLU N . 18942 1 740 . 1 1 66 66 VAL H H 1 7.361 0.02 . 1 . . . . 66 VAL H . 18942 1 741 . 1 1 66 66 VAL HA H 1 2.937 0.02 . 1 . . . . 66 VAL HA . 18942 1 742 . 1 1 66 66 VAL HB H 1 1.988 0.02 . 1 . . . . 66 VAL HB . 18942 1 743 . 1 1 66 66 VAL HG11 H 1 0.945 0.02 . 2 . . . . 66 VAL HG11 . 18942 1 744 . 1 1 66 66 VAL HG12 H 1 0.945 0.02 . 2 . . . . 66 VAL HG12 . 18942 1 745 . 1 1 66 66 VAL HG13 H 1 0.945 0.02 . 2 . . . . 66 VAL HG13 . 18942 1 746 . 1 1 66 66 VAL HG21 H 1 1.059 0.02 . 2 . . . . 66 VAL HG21 . 18942 1 747 . 1 1 66 66 VAL HG22 H 1 1.059 0.02 . 2 . . . . 66 VAL HG22 . 18942 1 748 . 1 1 66 66 VAL HG23 H 1 1.059 0.02 . 2 . . . . 66 VAL HG23 . 18942 1 749 . 1 1 66 66 VAL C C 13 176.723 0.2 . 1 . . . . 66 VAL C . 18942 1 750 . 1 1 66 66 VAL CA C 13 66.018 0.2 . 1 . . . . 66 VAL CA . 18942 1 751 . 1 1 66 66 VAL CB C 13 31.535 0.2 . 1 . . . . 66 VAL CB . 18942 1 752 . 1 1 66 66 VAL CG1 C 13 23.156 0.2 . 2 . . . . 66 VAL CG1 . 18942 1 753 . 1 1 66 66 VAL CG2 C 13 25.56 0.2 . 2 . . . . 66 VAL CG2 . 18942 1 754 . 1 1 66 66 VAL N N 15 119.406 0.2 . 1 . . . . 66 VAL N . 18942 1 755 . 1 1 67 67 LEU H H 1 8.154 0.02 . 1 . . . . 67 LEU H . 18942 1 756 . 1 1 67 67 LEU HA H 1 3.811 0.02 . 1 . . . . 67 LEU HA . 18942 1 757 . 1 1 67 67 LEU HB2 H 1 1.227 0.02 . 2 . . . . 67 LEU HB2 . 18942 1 758 . 1 1 67 67 LEU HB3 H 1 1.778 0.02 . 2 . . . . 67 LEU HB3 . 18942 1 759 . 1 1 67 67 LEU HD11 H 1 0.69 0.02 . 2 . . . . 67 LEU HD11 . 18942 1 760 . 1 1 67 67 LEU HD12 H 1 0.69 0.02 . 2 . . . . 67 LEU HD12 . 18942 1 761 . 1 1 67 67 LEU HD13 H 1 0.69 0.02 . 2 . . . . 67 LEU HD13 . 18942 1 762 . 1 1 67 67 LEU HD21 H 1 0.69 0.02 . 2 . . . . 67 LEU HD21 . 18942 1 763 . 1 1 67 67 LEU HD22 H 1 0.69 0.02 . 2 . . . . 67 LEU HD22 . 18942 1 764 . 1 1 67 67 LEU HD23 H 1 0.69 0.02 . 2 . . . . 67 LEU HD23 . 18942 1 765 . 1 1 67 67 LEU C C 13 180.087 0.2 . 1 . . . . 67 LEU C . 18942 1 766 . 1 1 67 67 LEU CA C 13 58 0.2 . 1 . . . . 67 LEU CA . 18942 1 767 . 1 1 67 67 LEU CB C 13 41.941 0.2 . 1 . . . . 67 LEU CB . 18942 1 768 . 1 1 67 67 LEU CD2 C 13 24.296 0.2 . 2 . . . . 67 LEU CD2 . 18942 1 769 . 1 1 67 67 LEU N N 15 120.234 0.2 . 1 . . . . 67 LEU N . 18942 1 770 . 1 1 68 68 VAL H H 1 7.11 0.02 . 1 . . . . 68 VAL H . 18942 1 771 . 1 1 68 68 VAL HA H 1 3.339 0.02 . 1 . . . . 68 VAL HA . 18942 1 772 . 1 1 68 68 VAL HB H 1 1.79 0.02 . 1 . . . . 68 VAL HB . 18942 1 773 . 1 1 68 68 VAL HG11 H 1 0.738 0.02 . 2 . . . . 68 VAL HG11 . 18942 1 774 . 1 1 68 68 VAL HG12 H 1 0.738 0.02 . 2 . . . . 68 VAL HG12 . 18942 1 775 . 1 1 68 68 VAL HG13 H 1 0.738 0.02 . 2 . . . . 68 VAL HG13 . 18942 1 776 . 1 1 68 68 VAL HG21 H 1 0.916 0.02 . 2 . . . . 68 VAL HG21 . 18942 1 777 . 1 1 68 68 VAL HG22 H 1 0.916 0.02 . 2 . . . . 68 VAL HG22 . 18942 1 778 . 1 1 68 68 VAL HG23 H 1 0.916 0.02 . 2 . . . . 68 VAL HG23 . 18942 1 779 . 1 1 68 68 VAL C C 13 179.736 0.2 . 1 . . . . 68 VAL C . 18942 1 780 . 1 1 68 68 VAL CA C 13 66.193 0.2 . 1 . . . . 68 VAL CA . 18942 1 781 . 1 1 68 68 VAL CB C 13 32.196 0.2 . 1 . . . . 68 VAL CB . 18942 1 782 . 1 1 68 68 VAL CG1 C 13 21.309 0.2 . 2 . . . . 68 VAL CG1 . 18942 1 783 . 1 1 68 68 VAL CG2 C 13 22.938 0.2 . 2 . . . . 68 VAL CG2 . 18942 1 784 . 1 1 68 68 VAL N N 15 118.03 0.2 . 1 . . . . 68 VAL N . 18942 1 785 . 1 1 69 69 ALA H H 1 6.97 0.02 . 1 . . . . 69 ALA H . 18942 1 786 . 1 1 69 69 ALA HA H 1 3.764 0.02 . 1 . . . . 69 ALA HA . 18942 1 787 . 1 1 69 69 ALA HB1 H 1 0.725 0.02 . 1 . . . . 69 ALA HB1 . 18942 1 788 . 1 1 69 69 ALA HB2 H 1 0.725 0.02 . 1 . . . . 69 ALA HB2 . 18942 1 789 . 1 1 69 69 ALA HB3 H 1 0.725 0.02 . 1 . . . . 69 ALA HB3 . 18942 1 790 . 1 1 69 69 ALA C C 13 181.653 0.2 . 1 . . . . 69 ALA C . 18942 1 791 . 1 1 69 69 ALA CA C 13 55.08 0.2 . 1 . . . . 69 ALA CA . 18942 1 792 . 1 1 69 69 ALA CB C 13 20.08 0.2 . 1 . . . . 69 ALA CB . 18942 1 793 . 1 1 69 69 ALA N N 15 120.581 0.2 . 1 . . . . 69 ALA N . 18942 1 794 . 1 1 70 70 ALA H H 1 8.881 0.02 . 1 . . . . 70 ALA H . 18942 1 795 . 1 1 70 70 ALA HA H 1 4.001 0.02 . 1 . . . . 70 ALA HA . 18942 1 796 . 1 1 70 70 ALA HB1 H 1 1.282 0.02 . 1 . . . . 70 ALA HB1 . 18942 1 797 . 1 1 70 70 ALA HB2 H 1 1.282 0.02 . 1 . . . . 70 ALA HB2 . 18942 1 798 . 1 1 70 70 ALA HB3 H 1 1.282 0.02 . 1 . . . . 70 ALA HB3 . 18942 1 799 . 1 1 70 70 ALA C C 13 178.758 0.2 . 1 . . . . 70 ALA C . 18942 1 800 . 1 1 70 70 ALA CA C 13 55.103 0.2 . 1 . . . . 70 ALA CA . 18942 1 801 . 1 1 70 70 ALA CB C 13 18.097 0.2 . 1 . . . . 70 ALA CB . 18942 1 802 . 1 1 70 70 ALA N N 15 120.991 0.2 . 1 . . . . 70 ALA N . 18942 1 803 . 1 1 71 71 LYS H H 1 7.124 0.02 . 1 . . . . 71 LYS H . 18942 1 804 . 1 1 71 71 LYS HA H 1 3.996 0.02 . 1 . . . . 71 LYS HA . 18942 1 805 . 1 1 71 71 LYS HB2 H 1 1.8 0.02 . 2 . . . . 71 LYS HB2 . 18942 1 806 . 1 1 71 71 LYS HB3 H 1 1.8 0.02 . 2 . . . . 71 LYS HB3 . 18942 1 807 . 1 1 71 71 LYS HG2 H 1 1.565 0.02 . 2 . . . . 71 LYS HG2 . 18942 1 808 . 1 1 71 71 LYS HG3 H 1 1.397 0.02 . 2 . . . . 71 LYS HG3 . 18942 1 809 . 1 1 71 71 LYS HE2 H 1 2.794 0.02 . 2 . . . . 71 LYS HE2 . 18942 1 810 . 1 1 71 71 LYS HE3 H 1 2.853 0.02 . 2 . . . . 71 LYS HE3 . 18942 1 811 . 1 1 71 71 LYS C C 13 177.551 0.2 . 1 . . . . 71 LYS C . 18942 1 812 . 1 1 71 71 LYS CA C 13 58.19 0.2 . 1 . . . . 71 LYS CA . 18942 1 813 . 1 1 71 71 LYS CB C 13 32.837 0.2 . 1 . . . . 71 LYS CB . 18942 1 814 . 1 1 71 71 LYS CG C 13 25.818 0.2 . 1 . . . . 71 LYS CG . 18942 1 815 . 1 1 71 71 LYS CE C 13 42.337 0.2 . 1 . . . . 71 LYS CE . 18942 1 816 . 1 1 71 71 LYS N N 15 113.809 0.2 . 1 . . . . 71 LYS N . 18942 1 817 . 1 1 72 72 LYS H H 1 7.15 0.02 . 1 . . . . 72 LYS H . 18942 1 818 . 1 1 72 72 LYS HA H 1 4.252 0.02 . 1 . . . . 72 LYS HA . 18942 1 819 . 1 1 72 72 LYS HB2 H 1 1.968 0.02 . 2 . . . . 72 LYS HB2 . 18942 1 820 . 1 1 72 72 LYS HB3 H 1 1.791 0.02 . 2 . . . . 72 LYS HB3 . 18942 1 821 . 1 1 72 72 LYS HG2 H 1 1.387 0.02 . 2 . . . . 72 LYS HG2 . 18942 1 822 . 1 1 72 72 LYS HG3 H 1 1.538 0.02 . 2 . . . . 72 LYS HG3 . 18942 1 823 . 1 1 72 72 LYS C C 13 176.789 0.2 . 1 . . . . 72 LYS C . 18942 1 824 . 1 1 72 72 LYS CA C 13 55.865 0.2 . 1 . . . . 72 LYS CA . 18942 1 825 . 1 1 72 72 LYS CB C 13 33.407 0.2 . 1 . . . . 72 LYS CB . 18942 1 826 . 1 1 72 72 LYS CG C 13 25.4 0.2 . 1 . . . . 72 LYS CG . 18942 1 827 . 1 1 72 72 LYS N N 15 115.553 0.2 . 1 . . . . 72 LYS N . 18942 1 828 . 1 1 73 73 ILE H H 1 7.164 0.02 . 1 . . . . 73 ILE H . 18942 1 829 . 1 1 73 73 ILE HA H 1 3.95 0.02 . 1 . . . . 73 ILE HA . 18942 1 830 . 1 1 73 73 ILE HB H 1 1.903 0.02 . 1 . . . . 73 ILE HB . 18942 1 831 . 1 1 73 73 ILE HG12 H 1 2.006 0.02 . 2 . . . . 73 ILE HG12 . 18942 1 832 . 1 1 73 73 ILE HG13 H 1 1.117 0.02 . 2 . . . . 73 ILE HG13 . 18942 1 833 . 1 1 73 73 ILE HG21 H 1 0.907 0.02 . 1 . . . . 73 ILE HG21 . 18942 1 834 . 1 1 73 73 ILE HG22 H 1 0.907 0.02 . 1 . . . . 73 ILE HG22 . 18942 1 835 . 1 1 73 73 ILE HG23 H 1 0.907 0.02 . 1 . . . . 73 ILE HG23 . 18942 1 836 . 1 1 73 73 ILE HD11 H 1 0.875 0.02 . 1 . . . . 73 ILE HD11 . 18942 1 837 . 1 1 73 73 ILE HD12 H 1 0.875 0.02 . 1 . . . . 73 ILE HD12 . 18942 1 838 . 1 1 73 73 ILE HD13 H 1 0.875 0.02 . 1 . . . . 73 ILE HD13 . 18942 1 839 . 1 1 73 73 ILE C C 13 176.494 0.2 . 1 . . . . 73 ILE C . 18942 1 840 . 1 1 73 73 ILE CA C 13 63.029 0.2 . 1 . . . . 73 ILE CA . 18942 1 841 . 1 1 73 73 ILE CB C 13 37.347 0.2 . 1 . . . . 73 ILE CB . 18942 1 842 . 1 1 73 73 ILE CG1 C 13 28.375 0.2 . 1 . . . . 73 ILE CG1 . 18942 1 843 . 1 1 73 73 ILE CG2 C 13 17.625 0.2 . 1 . . . . 73 ILE CG2 . 18942 1 844 . 1 1 73 73 ILE CD1 C 13 14.859 0.2 . 1 . . . . 73 ILE CD1 . 18942 1 845 . 1 1 73 73 ILE N N 15 120.965 0.2 . 1 . . . . 73 ILE N . 18942 1 846 . 1 1 74 74 VAL H H 1 8.174 0.02 . 1 . . . . 74 VAL H . 18942 1 847 . 1 1 74 74 VAL HA H 1 4.26 0.02 . 1 . . . . 74 VAL HA . 18942 1 848 . 1 1 74 74 VAL HB H 1 1.875 0.02 . 1 . . . . 74 VAL HB . 18942 1 849 . 1 1 74 74 VAL HG11 H 1 0.667 0.02 . 2 . . . . 74 VAL HG11 . 18942 1 850 . 1 1 74 74 VAL HG12 H 1 0.667 0.02 . 2 . . . . 74 VAL HG12 . 18942 1 851 . 1 1 74 74 VAL HG13 H 1 0.667 0.02 . 2 . . . . 74 VAL HG13 . 18942 1 852 . 1 1 74 74 VAL HG21 H 1 0.804 0.02 . 2 . . . . 74 VAL HG21 . 18942 1 853 . 1 1 74 74 VAL HG22 H 1 0.804 0.02 . 2 . . . . 74 VAL HG22 . 18942 1 854 . 1 1 74 74 VAL HG23 H 1 0.804 0.02 . 2 . . . . 74 VAL HG23 . 18942 1 855 . 1 1 74 74 VAL C C 13 174.021 0.2 . 1 . . . . 74 VAL C . 18942 1 856 . 1 1 74 74 VAL CA C 13 59.647 0.2 . 1 . . . . 74 VAL CA . 18942 1 857 . 1 1 74 74 VAL CB C 13 33.973 0.2 . 1 . . . . 74 VAL CB . 18942 1 858 . 1 1 74 74 VAL CG1 C 13 18.968 0.2 . 2 . . . . 74 VAL CG1 . 18942 1 859 . 1 1 74 74 VAL CG2 C 13 21.649 0.2 . 2 . . . . 74 VAL CG2 . 18942 1 860 . 1 1 74 74 VAL N N 15 127.119 0.2 . 1 . . . . 74 VAL N . 18942 1 861 . 1 1 75 75 GLN H H 1 7.569 0.02 . 1 . . . . 75 GLN H . 18942 1 862 . 1 1 75 75 GLN HA H 1 2.799 0.02 . 1 . . . . 75 GLN HA . 18942 1 863 . 1 1 75 75 GLN HB2 H 1 -0.187 0.02 . 2 . . . . 75 GLN HB2 . 18942 1 864 . 1 1 75 75 GLN HB3 H 1 1.128 0.02 . 2 . . . . 75 GLN HB3 . 18942 1 865 . 1 1 75 75 GLN CA C 13 55.478 0.2 . 1 . . . . 75 GLN CA . 18942 1 866 . 1 1 75 75 GLN CB C 13 27.131 0.2 . 1 . . . . 75 GLN CB . 18942 1 867 . 1 1 75 75 GLN N N 15 123.929 0.2 . 1 . . . . 75 GLN N . 18942 1 868 . 1 1 76 76 ARG H H 1 9.67 0.02 . 1 . . . . 76 ARG H . 18942 1 869 . 1 1 76 76 ARG HA H 1 3.872 0.02 . 1 . . . . 76 ARG HA . 18942 1 870 . 1 1 76 76 ARG HB2 H 1 1.457 0.02 . 2 . . . . 76 ARG HB2 . 18942 1 871 . 1 1 76 76 ARG HB3 H 1 1.457 0.02 . 2 . . . . 76 ARG HB3 . 18942 1 872 . 1 1 76 76 ARG C C 13 178.628 0.2 . 1 . . . . 76 ARG C . 18942 1 873 . 1 1 76 76 ARG CA C 13 57.917 0.2 . 1 . . . . 76 ARG CA . 18942 1 874 . 1 1 76 76 ARG CB C 13 29.779 0.2 . 1 . . . . 76 ARG CB . 18942 1 875 . 1 1 76 76 ARG N N 15 130.66 0.2 . 1 . . . . 76 ARG N . 18942 1 876 . 1 1 77 77 GLY H H 1 7.36 0.02 . 1 . . . . 77 GLY H . 18942 1 877 . 1 1 77 77 GLY HA2 H 1 4.181 0.02 . 2 . . . . 77 GLY HA2 . 18942 1 878 . 1 1 77 77 GLY HA3 H 1 3.867 0.02 . 2 . . . . 77 GLY HA3 . 18942 1 879 . 1 1 77 77 GLY C C 13 174.221 0.2 . 1 . . . . 77 GLY C . 18942 1 880 . 1 1 77 77 GLY CA C 13 44.916 0.2 . 1 . . . . 77 GLY CA . 18942 1 881 . 1 1 77 77 GLY N N 15 107.363 0.2 . 1 . . . . 77 GLY N . 18942 1 882 . 1 1 78 78 GLY H H 1 7.851 0.02 . 1 . . . . 78 GLY H . 18942 1 883 . 1 1 78 78 GLY HA2 H 1 3.916 0.02 . 2 . . . . 78 GLY HA2 . 18942 1 884 . 1 1 78 78 GLY HA3 H 1 3.936 0.02 . 2 . . . . 78 GLY HA3 . 18942 1 885 . 1 1 78 78 GLY C C 13 172.71 0.2 . 1 . . . . 78 GLY C . 18942 1 886 . 1 1 78 78 GLY CA C 13 46.986 0.2 . 1 . . . . 78 GLY CA . 18942 1 887 . 1 1 78 78 GLY N N 15 104.542 0.2 . 1 . . . . 78 GLY N . 18942 1 888 . 1 1 79 79 ARG H H 1 9.952 0.02 . 1 . . . . 79 ARG H . 18942 1 889 . 1 1 79 79 ARG HB2 H 1 1.564 0.02 . 2 . . . . 79 ARG HB2 . 18942 1 890 . 1 1 79 79 ARG HB3 H 1 2.015 0.02 . 2 . . . . 79 ARG HB3 . 18942 1 891 . 1 1 79 79 ARG HG2 H 1 1.36 0.02 . 2 . . . . 79 ARG HG2 . 18942 1 892 . 1 1 79 79 ARG HG3 H 1 1.609 0.02 . 2 . . . . 79 ARG HG3 . 18942 1 893 . 1 1 79 79 ARG C C 13 174.484 0.2 . 1 . . . . 79 ARG C . 18942 1 894 . 1 1 79 79 ARG CA C 13 57.437 0.2 . 1 . . . . 79 ARG CA . 18942 1 895 . 1 1 79 79 ARG CB C 13 30.338 0.2 . 1 . . . . 79 ARG CB . 18942 1 896 . 1 1 79 79 ARG CG C 13 28.887 0.2 . 1 . . . . 79 ARG CG . 18942 1 897 . 1 1 79 79 ARG N N 15 125.372 0.2 . 1 . . . . 79 ARG N . 18942 1 898 . 1 1 80 80 GLN H H 1 7.411 0.02 . 1 . . . . 80 GLN H . 18942 1 899 . 1 1 80 80 GLN HA H 1 4.183 0.02 . 1 . . . . 80 GLN HA . 18942 1 900 . 1 1 80 80 GLN HB2 H 1 1.949 0.02 . 2 . . . . 80 GLN HB2 . 18942 1 901 . 1 1 80 80 GLN HB3 H 1 1.603 0.02 . 2 . . . . 80 GLN HB3 . 18942 1 902 . 1 1 80 80 GLN C C 13 173.824 0.2 . 1 . . . . 80 GLN C . 18942 1 903 . 1 1 80 80 GLN CA C 13 55.041 0.2 . 1 . . . . 80 GLN CA . 18942 1 904 . 1 1 80 80 GLN CB C 13 35.655 0.2 . 1 . . . . 80 GLN CB . 18942 1 905 . 1 1 80 80 GLN N N 15 114.807 0.2 . 1 . . . . 80 GLN N . 18942 1 906 . 1 1 81 81 THR HA H 1 4.176 0.02 . 1 . . . . 81 THR HA . 18942 1 907 . 1 1 81 81 THR HB H 1 4.709 0.02 . 1 . . . . 81 THR HB . 18942 1 908 . 1 1 81 81 THR HG21 H 1 1.496 0.02 . 1 . . . . 81 THR HG21 . 18942 1 909 . 1 1 81 81 THR HG22 H 1 1.496 0.02 . 1 . . . . 81 THR HG22 . 18942 1 910 . 1 1 81 81 THR HG23 H 1 1.496 0.02 . 1 . . . . 81 THR HG23 . 18942 1 911 . 1 1 81 81 THR C C 13 175.393 0.2 . 1 . . . . 81 THR C . 18942 1 912 . 1 1 81 81 THR CA C 13 62.222 0.2 . 1 . . . . 81 THR CA . 18942 1 913 . 1 1 81 81 THR CB C 13 71.14 0.2 . 1 . . . . 81 THR CB . 18942 1 914 . 1 1 81 81 THR CG2 C 13 21.413 0.2 . 1 . . . . 81 THR CG2 . 18942 1 915 . 1 1 81 81 THR N N 15 118.711 0.2 . 1 . . . . 81 THR N . 18942 1 916 . 1 1 82 82 MET H H 1 8.679 0.02 . 1 . . . . 82 MET H . 18942 1 917 . 1 1 82 82 MET HA H 1 4.986 0.02 . 1 . . . . 82 MET HA . 18942 1 918 . 1 1 82 82 MET HG2 H 1 2.684 0.02 . 2 . . . . 82 MET HG2 . 18942 1 919 . 1 1 82 82 MET HG3 H 1 2.539 0.02 . 2 . . . . 82 MET HG3 . 18942 1 920 . 1 1 82 82 MET HE1 H 1 2.051 0.02 . 1 . . . . 82 MET HE1 . 18942 1 921 . 1 1 82 82 MET HE2 H 1 2.051 0.02 . 1 . . . . 82 MET HE2 . 18942 1 922 . 1 1 82 82 MET HE3 H 1 2.051 0.02 . 1 . . . . 82 MET HE3 . 18942 1 923 . 1 1 82 82 MET C C 13 175.011 0.2 . 1 . . . . 82 MET C . 18942 1 924 . 1 1 82 82 MET CA C 13 52.078 0.2 . 1 . . . . 82 MET CA . 18942 1 925 . 1 1 82 82 MET CB C 13 29.146 0.2 . 1 . . . . 82 MET CB . 18942 1 926 . 1 1 82 82 MET CG C 13 32.743 0.2 . 1 . . . . 82 MET CG . 18942 1 927 . 1 1 82 82 MET CE C 13 18.036 0.2 . 1 . . . . 82 MET CE . 18942 1 928 . 1 1 82 82 MET N N 15 129.258 0.2 . 1 . . . . 82 MET N . 18942 1 929 . 1 1 83 83 THR H H 1 6.986 0.02 . 1 . . . . 83 THR H . 18942 1 930 . 1 1 83 83 THR HA H 1 3.105 0.02 . 1 . . . . 83 THR HA . 18942 1 931 . 1 1 83 83 THR HB H 1 4.072 0.02 . 1 . . . . 83 THR HB . 18942 1 932 . 1 1 83 83 THR HG21 H 1 0.986 0.02 . 1 . . . . 83 THR HG21 . 18942 1 933 . 1 1 83 83 THR HG22 H 1 0.986 0.02 . 1 . . . . 83 THR HG22 . 18942 1 934 . 1 1 83 83 THR HG23 H 1 0.986 0.02 . 1 . . . . 83 THR HG23 . 18942 1 935 . 1 1 83 83 THR C C 13 175.014 0.2 . 1 . . . . 83 THR C . 18942 1 936 . 1 1 83 83 THR CA C 13 65.627 0.2 . 1 . . . . 83 THR CA . 18942 1 937 . 1 1 83 83 THR CB C 13 69.254 0.2 . 1 . . . . 83 THR CB . 18942 1 938 . 1 1 83 83 THR CG2 C 13 21.579 0.2 . 1 . . . . 83 THR CG2 . 18942 1 939 . 1 1 83 83 THR N N 15 120.952 0.2 . 1 . . . . 83 THR N . 18942 1 940 . 1 1 84 84 ALA H H 1 10.069 0.02 . 1 . . . . 84 ALA H . 18942 1 941 . 1 1 84 84 ALA HA H 1 3.562 0.02 . 1 . . . . 84 ALA HA . 18942 1 942 . 1 1 84 84 ALA HB1 H 1 0.952 0.02 . 1 . . . . 84 ALA HB1 . 18942 1 943 . 1 1 84 84 ALA HB2 H 1 0.952 0.02 . 1 . . . . 84 ALA HB2 . 18942 1 944 . 1 1 84 84 ALA HB3 H 1 0.952 0.02 . 1 . . . . 84 ALA HB3 . 18942 1 945 . 1 1 84 84 ALA C C 13 179.5 0.2 . 1 . . . . 84 ALA C . 18942 1 946 . 1 1 84 84 ALA CA C 13 56.069 0.2 . 1 . . . . 84 ALA CA . 18942 1 947 . 1 1 84 84 ALA CB C 13 16.73 0.2 . 1 . . . . 84 ALA CB . 18942 1 948 . 1 1 84 84 ALA N N 15 127.127 0.2 . 1 . . . . 84 ALA N . 18942 1 949 . 1 1 85 85 LEU H H 1 8.166 0.02 . 1 . . . . 85 LEU H . 18942 1 950 . 1 1 85 85 LEU HA H 1 3.811 0.02 . 1 . . . . 85 LEU HA . 18942 1 951 . 1 1 85 85 LEU HB2 H 1 1.77 0.02 . 2 . . . . 85 LEU HB2 . 18942 1 952 . 1 1 85 85 LEU HB3 H 1 1.455 0.02 . 2 . . . . 85 LEU HB3 . 18942 1 953 . 1 1 85 85 LEU HD11 H 1 0.734 0.02 . 2 . . . . 85 LEU HD11 . 18942 1 954 . 1 1 85 85 LEU HD12 H 1 0.734 0.02 . 2 . . . . 85 LEU HD12 . 18942 1 955 . 1 1 85 85 LEU HD13 H 1 0.734 0.02 . 2 . . . . 85 LEU HD13 . 18942 1 956 . 1 1 85 85 LEU HD21 H 1 0.948 0.02 . 2 . . . . 85 LEU HD21 . 18942 1 957 . 1 1 85 85 LEU HD22 H 1 0.948 0.02 . 2 . . . . 85 LEU HD22 . 18942 1 958 . 1 1 85 85 LEU HD23 H 1 0.948 0.02 . 2 . . . . 85 LEU HD23 . 18942 1 959 . 1 1 85 85 LEU C C 13 181.098 0.2 . 1 . . . . 85 LEU C . 18942 1 960 . 1 1 85 85 LEU CA C 13 57.906 0.2 . 1 . . . . 85 LEU CA . 18942 1 961 . 1 1 85 85 LEU CB C 13 41.768 0.2 . 1 . . . . 85 LEU CB . 18942 1 962 . 1 1 85 85 LEU CD1 C 13 26.5 0.2 . 2 . . . . 85 LEU CD1 . 18942 1 963 . 1 1 85 85 LEU CD2 C 13 23.107 0.2 . 2 . . . . 85 LEU CD2 . 18942 1 964 . 1 1 85 85 LEU N N 15 120.421 0.2 . 1 . . . . 85 LEU N . 18942 1 965 . 1 1 86 86 GLY H H 1 8.72 0.02 . 1 . . . . 86 GLY H . 18942 1 966 . 1 1 86 86 GLY HA2 H 1 3.169 0.02 . 2 . . . . 86 GLY HA2 . 18942 1 967 . 1 1 86 86 GLY HA3 H 1 2.621 0.02 . 2 . . . . 86 GLY HA3 . 18942 1 968 . 1 1 86 86 GLY C C 13 174.135 0.2 . 1 . . . . 86 GLY C . 18942 1 969 . 1 1 86 86 GLY CA C 13 47.323 0.2 . 1 . . . . 86 GLY CA . 18942 1 970 . 1 1 86 86 GLY N N 15 111.466 0.2 . 1 . . . . 86 GLY N . 18942 1 971 . 1 1 87 87 ILE H H 1 8.141 0.02 . 1 . . . . 87 ILE H . 18942 1 972 . 1 1 87 87 ILE HA H 1 3.281 0.02 . 1 . . . . 87 ILE HA . 18942 1 973 . 1 1 87 87 ILE HB H 1 1.387 0.02 . 1 . . . . 87 ILE HB . 18942 1 974 . 1 1 87 87 ILE HG21 H 1 0.556 0.02 . 1 . . . . 87 ILE HG21 . 18942 1 975 . 1 1 87 87 ILE HG22 H 1 0.556 0.02 . 1 . . . . 87 ILE HG22 . 18942 1 976 . 1 1 87 87 ILE HG23 H 1 0.556 0.02 . 1 . . . . 87 ILE HG23 . 18942 1 977 . 1 1 87 87 ILE HD11 H 1 0.608 0.02 . 1 . . . . 87 ILE HD11 . 18942 1 978 . 1 1 87 87 ILE HD12 H 1 0.608 0.02 . 1 . . . . 87 ILE HD12 . 18942 1 979 . 1 1 87 87 ILE HD13 H 1 0.608 0.02 . 1 . . . . 87 ILE HD13 . 18942 1 980 . 1 1 87 87 ILE C C 13 177.503 0.2 . 1 . . . . 87 ILE C . 18942 1 981 . 1 1 87 87 ILE CA C 13 66.253 0.2 . 1 . . . . 87 ILE CA . 18942 1 982 . 1 1 87 87 ILE CB C 13 38.911 0.2 . 1 . . . . 87 ILE CB . 18942 1 983 . 1 1 87 87 ILE CG2 C 13 18.4 0.2 . 1 . . . . 87 ILE CG2 . 18942 1 984 . 1 1 87 87 ILE CD1 C 13 15.663 0.2 . 1 . . . . 87 ILE CD1 . 18942 1 985 . 1 1 87 87 ILE N N 15 121.133 0.2 . 1 . . . . 87 ILE N . 18942 1 986 . 1 1 88 88 ASP H H 1 8.512 0.02 . 1 . . . . 88 ASP H . 18942 1 987 . 1 1 88 88 ASP HA H 1 4.313 0.02 . 1 . . . . 88 ASP HA . 18942 1 988 . 1 1 88 88 ASP HB2 H 1 2.522 0.02 . 2 . . . . 88 ASP HB2 . 18942 1 989 . 1 1 88 88 ASP HB3 H 1 2.837 0.02 . 2 . . . . 88 ASP HB3 . 18942 1 990 . 1 1 88 88 ASP C C 13 178.751 0.2 . 1 . . . . 88 ASP C . 18942 1 991 . 1 1 88 88 ASP CA C 13 57.569 0.2 . 1 . . . . 88 ASP CA . 18942 1 992 . 1 1 88 88 ASP CB C 13 43.248 0.2 . 1 . . . . 88 ASP CB . 18942 1 993 . 1 1 88 88 ASP N N 15 119.246 0.2 . 1 . . . . 88 ASP N . 18942 1 994 . 1 1 89 89 THR H H 1 8.47 0.02 . 1 . . . . 89 THR H . 18942 1 995 . 1 1 89 89 THR HA H 1 4.029 0.02 . 1 . . . . 89 THR HA . 18942 1 996 . 1 1 89 89 THR HB H 1 3.775 0.02 . 1 . . . . 89 THR HB . 18942 1 997 . 1 1 89 89 THR HG21 H 1 0.985 0.02 . 1 . . . . 89 THR HG21 . 18942 1 998 . 1 1 89 89 THR HG22 H 1 0.985 0.02 . 1 . . . . 89 THR HG22 . 18942 1 999 . 1 1 89 89 THR HG23 H 1 0.985 0.02 . 1 . . . . 89 THR HG23 . 18942 1 1000 . 1 1 89 89 THR C C 13 176.4 0.2 . 1 . . . . 89 THR C . 18942 1 1001 . 1 1 89 89 THR CA C 13 68.345 0.2 . 1 . . . . 89 THR CA . 18942 1 1002 . 1 1 89 89 THR CB C 13 67.082 0.2 . 1 . . . . 89 THR CB . 18942 1 1003 . 1 1 89 89 THR CG2 C 13 21.151 0.2 . 1 . . . . 89 THR CG2 . 18942 1 1004 . 1 1 89 89 THR N N 15 112.948 0.2 . 1 . . . . 89 THR N . 18942 1 1005 . 1 1 90 90 ALA H H 1 8.159 0.02 . 1 . . . . 90 ALA H . 18942 1 1006 . 1 1 90 90 ALA HA H 1 3.791 0.02 . 1 . . . . 90 ALA HA . 18942 1 1007 . 1 1 90 90 ALA HB1 H 1 1.33 0.02 . 1 . . . . 90 ALA HB1 . 18942 1 1008 . 1 1 90 90 ALA HB2 H 1 1.33 0.02 . 1 . . . . 90 ALA HB2 . 18942 1 1009 . 1 1 90 90 ALA HB3 H 1 1.33 0.02 . 1 . . . . 90 ALA HB3 . 18942 1 1010 . 1 1 90 90 ALA C C 13 178.756 0.2 . 1 . . . . 90 ALA C . 18942 1 1011 . 1 1 90 90 ALA CA C 13 56.016 0.2 . 1 . . . . 90 ALA CA . 18942 1 1012 . 1 1 90 90 ALA CB C 13 19.009 0.2 . 1 . . . . 90 ALA CB . 18942 1 1013 . 1 1 90 90 ALA N N 15 125.129 0.2 . 1 . . . . 90 ALA N . 18942 1 1014 . 1 1 91 91 ARG H H 1 8.479 0.02 . 1 . . . . 91 ARG H . 18942 1 1015 . 1 1 91 91 ARG HA H 1 3.845 0.02 . 1 . . . . 91 ARG HA . 18942 1 1016 . 1 1 91 91 ARG HB2 H 1 2.201 0.02 . 2 . . . . 91 ARG HB2 . 18942 1 1017 . 1 1 91 91 ARG HB3 H 1 2.201 0.02 . 2 . . . . 91 ARG HB3 . 18942 1 1018 . 1 1 91 91 ARG HG2 H 1 1.357 0.02 . 2 . . . . 91 ARG HG2 . 18942 1 1019 . 1 1 91 91 ARG HG3 H 1 1.357 0.02 . 2 . . . . 91 ARG HG3 . 18942 1 1020 . 1 1 91 91 ARG C C 13 177.99 0.2 . 1 . . . . 91 ARG C . 18942 1 1021 . 1 1 91 91 ARG CA C 13 60.729 0.2 . 1 . . . . 91 ARG CA . 18942 1 1022 . 1 1 91 91 ARG CB C 13 29.918 0.2 . 1 . . . . 91 ARG CB . 18942 1 1023 . 1 1 91 91 ARG CG C 13 27.6 0.2 . 1 . . . . 91 ARG CG . 18942 1 1024 . 1 1 91 91 ARG N N 15 117.401 0.2 . 1 . . . . 91 ARG N . 18942 1 1025 . 1 1 92 92 LYS H H 1 8.073 0.02 . 1 . . . . 92 LYS H . 18942 1 1026 . 1 1 92 92 LYS HA H 1 4.025 0.02 . 1 . . . . 92 LYS HA . 18942 1 1027 . 1 1 92 92 LYS HB2 H 1 1.75 0.02 . 2 . . . . 92 LYS HB2 . 18942 1 1028 . 1 1 92 92 LYS HB3 H 1 1.75 0.02 . 2 . . . . 92 LYS HB3 . 18942 1 1029 . 1 1 92 92 LYS HG2 H 1 1.551 0.02 . 2 . . . . 92 LYS HG2 . 18942 1 1030 . 1 1 92 92 LYS HG3 H 1 1.551 0.02 . 2 . . . . 92 LYS HG3 . 18942 1 1031 . 1 1 92 92 LYS C C 13 178.208 0.2 . 1 . . . . 92 LYS C . 18942 1 1032 . 1 1 92 92 LYS CA C 13 58.98 0.2 . 1 . . . . 92 LYS CA . 18942 1 1033 . 1 1 92 92 LYS CB C 13 34.233 0.2 . 1 . . . . 92 LYS CB . 18942 1 1034 . 1 1 92 92 LYS N N 15 114.595 0.2 . 1 . . . . 92 LYS N . 18942 1 1035 . 1 1 93 93 GLU H H 1 8.678 0.02 . 1 . . . . 93 GLU H . 18942 1 1036 . 1 1 93 93 GLU HA H 1 4.494 0.02 . 1 . . . . 93 GLU HA . 18942 1 1037 . 1 1 93 93 GLU HB2 H 1 2.038 0.02 . 2 . . . . 93 GLU HB2 . 18942 1 1038 . 1 1 93 93 GLU HB3 H 1 2.038 0.02 . 2 . . . . 93 GLU HB3 . 18942 1 1039 . 1 1 93 93 GLU HG2 H 1 2.27 0.02 . 2 . . . . 93 GLU HG2 . 18942 1 1040 . 1 1 93 93 GLU HG3 H 1 2.41 0.02 . 2 . . . . 93 GLU HG3 . 18942 1 1041 . 1 1 93 93 GLU C C 13 178.16 0.2 . 1 . . . . 93 GLU C . 18942 1 1042 . 1 1 93 93 GLU CA C 13 57.3 0.2 . 1 . . . . 93 GLU CA . 18942 1 1043 . 1 1 93 93 GLU CB C 13 33.059 0.2 . 1 . . . . 93 GLU CB . 18942 1 1044 . 1 1 93 93 GLU CG C 13 36.409 0.2 . 1 . . . . 93 GLU CG . 18942 1 1045 . 1 1 93 93 GLU N N 15 113.87 0.2 . 1 . . . . 93 GLU N . 18942 1 1046 . 1 1 94 94 ALA H H 1 8.529 0.02 . 1 . . . . 94 ALA H . 18942 1 1047 . 1 1 94 94 ALA HA H 1 4.097 0.02 . 1 . . . . 94 ALA HA . 18942 1 1048 . 1 1 94 94 ALA HB1 H 1 1.303 0.02 . 1 . . . . 94 ALA HB1 . 18942 1 1049 . 1 1 94 94 ALA HB2 H 1 1.303 0.02 . 1 . . . . 94 ALA HB2 . 18942 1 1050 . 1 1 94 94 ALA HB3 H 1 1.303 0.02 . 1 . . . . 94 ALA HB3 . 18942 1 1051 . 1 1 94 94 ALA C C 13 177.262 0.2 . 1 . . . . 94 ALA C . 18942 1 1052 . 1 1 94 94 ALA CA C 13 55.111 0.2 . 1 . . . . 94 ALA CA . 18942 1 1053 . 1 1 94 94 ALA CB C 13 20.213 0.2 . 1 . . . . 94 ALA CB . 18942 1 1054 . 1 1 94 94 ALA N N 15 120.07 0.2 . 1 . . . . 94 ALA N . 18942 1 1055 . 1 1 95 95 PHE H H 1 6.981 0.02 . 1 . . . . 95 PHE H . 18942 1 1056 . 1 1 95 95 PHE HA H 1 4.511 0.02 . 1 . . . . 95 PHE HA . 18942 1 1057 . 1 1 95 95 PHE HB2 H 1 3.237 0.02 . 2 . . . . 95 PHE HB2 . 18942 1 1058 . 1 1 95 95 PHE HB3 H 1 2.843 0.02 . 2 . . . . 95 PHE HB3 . 18942 1 1059 . 1 1 95 95 PHE HD1 H 1 7.211 0.02 . 3 . . . . 95 PHE HD1 . 18942 1 1060 . 1 1 95 95 PHE HD2 H 1 7.211 0.02 . 3 . . . . 95 PHE HD2 . 18942 1 1061 . 1 1 95 95 PHE HE1 H 1 7.166 0.02 . 3 . . . . 95 PHE HE1 . 18942 1 1062 . 1 1 95 95 PHE HE2 H 1 7.166 0.02 . 3 . . . . 95 PHE HE2 . 18942 1 1063 . 1 1 95 95 PHE C C 13 175.308 0.2 . 1 . . . . 95 PHE C . 18942 1 1064 . 1 1 95 95 PHE CA C 13 56.984 0.2 . 1 . . . . 95 PHE CA . 18942 1 1065 . 1 1 95 95 PHE CB C 13 37.965 0.2 . 1 . . . . 95 PHE CB . 18942 1 1066 . 1 1 95 95 PHE CD1 C 13 132.052 0.2 . 3 . . . . 95 PHE CD1 . 18942 1 1067 . 1 1 95 95 PHE CD2 C 13 132.054 0.2 . 3 . . . . 95 PHE CD2 . 18942 1 1068 . 1 1 95 95 PHE CE1 C 13 130.989 0.2 . 3 . . . . 95 PHE CE1 . 18942 1 1069 . 1 1 95 95 PHE N N 15 112.202 0.2 . 1 . . . . 95 PHE N . 18942 1 1070 . 1 1 96 96 THR H H 1 6.842 0.02 . 1 . . . . 96 THR H . 18942 1 1071 . 1 1 96 96 THR HA H 1 4.526 0.02 . 1 . . . . 96 THR HA . 18942 1 1072 . 1 1 96 96 THR HB H 1 4.429 0.02 . 1 . . . . 96 THR HB . 18942 1 1073 . 1 1 96 96 THR HG21 H 1 1.221 0.02 . 1 . . . . 96 THR HG21 . 18942 1 1074 . 1 1 96 96 THR HG22 H 1 1.221 0.02 . 1 . . . . 96 THR HG22 . 18942 1 1075 . 1 1 96 96 THR HG23 H 1 1.221 0.02 . 1 . . . . 96 THR HG23 . 18942 1 1076 . 1 1 96 96 THR CA C 13 59.54 0.2 . 1 . . . . 96 THR CA . 18942 1 1077 . 1 1 96 96 THR CB C 13 71.91 0.2 . 1 . . . . 96 THR CB . 18942 1 1078 . 1 1 96 96 THR CG2 C 13 23.105 0.2 . 1 . . . . 96 THR CG2 . 18942 1 1079 . 1 1 96 96 THR N N 15 107.194 0.2 . 1 . . . . 96 THR N . 18942 1 1080 . 1 1 98 98 ALA HA H 1 4.03 0.02 . 1 . . . . 98 ALA HA . 18942 1 1081 . 1 1 98 98 ALA HB1 H 1 1.324 0.02 . 1 . . . . 98 ALA HB1 . 18942 1 1082 . 1 1 98 98 ALA HB2 H 1 1.324 0.02 . 1 . . . . 98 ALA HB2 . 18942 1 1083 . 1 1 98 98 ALA HB3 H 1 1.324 0.02 . 1 . . . . 98 ALA HB3 . 18942 1 1084 . 1 1 98 98 ALA C C 13 179.284 0.2 . 1 . . . . 98 ALA C . 18942 1 1085 . 1 1 98 98 ALA CA C 13 55.021 0.2 . 1 . . . . 98 ALA CA . 18942 1 1086 . 1 1 98 98 ALA CB C 13 18.656 0.2 . 1 . . . . 98 ALA CB . 18942 1 1087 . 1 1 99 99 ARG H H 1 7.061 0.02 . 1 . . . . 99 ARG H . 18942 1 1088 . 1 1 99 99 ARG HA H 1 4.221 0.02 . 1 . . . . 99 ARG HA . 18942 1 1089 . 1 1 99 99 ARG HB2 H 1 2.179 0.02 . 2 . . . . 99 ARG HB2 . 18942 1 1090 . 1 1 99 99 ARG HB3 H 1 1.674 0.02 . 2 . . . . 99 ARG HB3 . 18942 1 1091 . 1 1 99 99 ARG HG2 H 1 1.816 0.02 . 2 . . . . 99 ARG HG2 . 18942 1 1092 . 1 1 99 99 ARG HG3 H 1 2.002 0.02 . 2 . . . . 99 ARG HG3 . 18942 1 1093 . 1 1 99 99 ARG C C 13 174.052 0.2 . 1 . . . . 99 ARG C . 18942 1 1094 . 1 1 99 99 ARG CA C 13 56.715 0.2 . 1 . . . . 99 ARG CA . 18942 1 1095 . 1 1 99 99 ARG CB C 13 30.274 0.2 . 1 . . . . 99 ARG CB . 18942 1 1096 . 1 1 99 99 ARG CG C 13 29.497 0.2 . 1 . . . . 99 ARG CG . 18942 1 1097 . 1 1 99 99 ARG N N 15 115.359 0.2 . 1 . . . . 99 ARG N . 18942 1 1098 . 1 1 100 100 GLY H H 1 7.496 0.02 . 1 . . . . 100 GLY H . 18942 1 1099 . 1 1 100 100 GLY HA2 H 1 4.063 0.02 . 2 . . . . 100 GLY HA2 . 18942 1 1100 . 1 1 100 100 GLY HA3 H 1 3.503 0.02 . 2 . . . . 100 GLY HA3 . 18942 1 1101 . 1 1 100 100 GLY C C 13 174.164 0.2 . 1 . . . . 100 GLY C . 18942 1 1102 . 1 1 100 100 GLY CA C 13 45.71 0.2 . 1 . . . . 100 GLY CA . 18942 1 1103 . 1 1 100 100 GLY N N 15 102.528 0.2 . 1 . . . . 100 GLY N . 18942 1 1104 . 1 1 101 101 ALA H H 1 7.691 0.02 . 1 . . . . 101 ALA H . 18942 1 1105 . 1 1 101 101 ALA HA H 1 4.036 0.02 . 1 . . . . 101 ALA HA . 18942 1 1106 . 1 1 101 101 ALA HB1 H 1 0.99 0.02 . 1 . . . . 101 ALA HB1 . 18942 1 1107 . 1 1 101 101 ALA HB2 H 1 0.99 0.02 . 1 . . . . 101 ALA HB2 . 18942 1 1108 . 1 1 101 101 ALA HB3 H 1 0.99 0.02 . 1 . . . . 101 ALA HB3 . 18942 1 1109 . 1 1 101 101 ALA C C 13 177.955 0.2 . 1 . . . . 101 ALA C . 18942 1 1110 . 1 1 101 101 ALA CA C 13 53.12 0.2 . 1 . . . . 101 ALA CA . 18942 1 1111 . 1 1 101 101 ALA CB C 13 18.525 0.2 . 1 . . . . 101 ALA CB . 18942 1 1112 . 1 1 101 101 ALA N N 15 123.927 0.2 . 1 . . . . 101 ALA N . 18942 1 1113 . 1 1 102 102 ARG H H 1 9.456 0.02 . 1 . . . . 102 ARG H . 18942 1 1114 . 1 1 102 102 ARG HA H 1 4.327 0.02 . 1 . . . . 102 ARG HA . 18942 1 1115 . 1 1 102 102 ARG C C 13 176.459 0.2 . 1 . . . . 102 ARG C . 18942 1 1116 . 1 1 102 102 ARG CA C 13 55.186 0.2 . 1 . . . . 102 ARG CA . 18942 1 1117 . 1 1 102 102 ARG CB C 13 32.273 0.2 . 1 . . . . 102 ARG CB . 18942 1 1118 . 1 1 102 102 ARG N N 15 125.757 0.2 . 1 . . . . 102 ARG N . 18942 1 1119 . 1 1 103 103 ARG H H 1 8.52 0.02 . 1 . . . . 103 ARG H . 18942 1 1120 . 1 1 103 103 ARG HA H 1 3.998 0.02 . 1 . . . . 103 ARG HA . 18942 1 1121 . 1 1 103 103 ARG HB2 H 1 1.659 0.02 . 2 . . . . 103 ARG HB2 . 18942 1 1122 . 1 1 103 103 ARG HB3 H 1 1.719 0.02 . 2 . . . . 103 ARG HB3 . 18942 1 1123 . 1 1 103 103 ARG HG2 H 1 1.522 0.02 . 2 . . . . 103 ARG HG2 . 18942 1 1124 . 1 1 103 103 ARG HG3 H 1 1.622 0.02 . 2 . . . . 103 ARG HG3 . 18942 1 1125 . 1 1 103 103 ARG CA C 13 57.793 0.2 . 1 . . . . 103 ARG CA . 18942 1 1126 . 1 1 103 103 ARG CB C 13 30.039 0.2 . 1 . . . . 103 ARG CB . 18942 1 1127 . 1 1 103 103 ARG CG C 13 27.293 0.2 . 1 . . . . 103 ARG CG . 18942 1 1128 . 1 1 103 103 ARG N N 15 124.649 0.2 . 1 . . . . 103 ARG N . 18942 1 1129 . 1 1 104 104 GLY H H 1 8.345 0.02 . 1 . . . . 104 GLY H . 18942 1 1130 . 1 1 104 104 GLY HA2 H 1 3.966 0.02 . 2 . . . . 104 GLY HA2 . 18942 1 1131 . 1 1 104 104 GLY HA3 H 1 3.815 0.02 . 2 . . . . 104 GLY HA3 . 18942 1 1132 . 1 1 104 104 GLY CA C 13 45.909 0.2 . 1 . . . . 104 GLY CA . 18942 1 1133 . 1 1 104 104 GLY N N 15 108.981 0.2 . 1 . . . . 104 GLY N . 18942 1 1134 . 1 1 105 105 VAL H H 1 7.298 0.02 . 1 . . . . 105 VAL H . 18942 1 1135 . 1 1 105 105 VAL HA H 1 4.163 0.02 . 1 . . . . 105 VAL HA . 18942 1 1136 . 1 1 105 105 VAL HB H 1 2.048 0.02 . 1 . . . . 105 VAL HB . 18942 1 1137 . 1 1 105 105 VAL HG11 H 1 0.665 0.02 . 2 . . . . 105 VAL HG11 . 18942 1 1138 . 1 1 105 105 VAL HG12 H 1 0.665 0.02 . 2 . . . . 105 VAL HG12 . 18942 1 1139 . 1 1 105 105 VAL HG13 H 1 0.665 0.02 . 2 . . . . 105 VAL HG13 . 18942 1 1140 . 1 1 105 105 VAL HG21 H 1 0.752 0.02 . 2 . . . . 105 VAL HG21 . 18942 1 1141 . 1 1 105 105 VAL HG22 H 1 0.752 0.02 . 2 . . . . 105 VAL HG22 . 18942 1 1142 . 1 1 105 105 VAL HG23 H 1 0.752 0.02 . 2 . . . . 105 VAL HG23 . 18942 1 1143 . 1 1 105 105 VAL C C 13 176.102 0.2 . 1 . . . . 105 VAL C . 18942 1 1144 . 1 1 105 105 VAL CA C 13 61.805 0.2 . 1 . . . . 105 VAL CA . 18942 1 1145 . 1 1 105 105 VAL CB C 13 31.82 0.2 . 1 . . . . 105 VAL CB . 18942 1 1146 . 1 1 105 105 VAL CG1 C 13 23.339 0.2 . 2 . . . . 105 VAL CG1 . 18942 1 1147 . 1 1 105 105 VAL CG2 C 13 21.979 0.2 . 2 . . . . 105 VAL CG2 . 18942 1 1148 . 1 1 105 105 VAL N N 15 119.727 0.2 . 1 . . . . 105 VAL N . 18942 1 1149 . 1 1 106 106 LYS H H 1 8.288 0.02 . 1 . . . . 106 LYS H . 18942 1 1150 . 1 1 106 106 LYS HA H 1 4.048 0.02 . 1 . . . . 106 LYS HA . 18942 1 1151 . 1 1 106 106 LYS HB2 H 1 1.9 0.02 . 2 . . . . 106 LYS HB2 . 18942 1 1152 . 1 1 106 106 LYS HB3 H 1 1.809 0.02 . 2 . . . . 106 LYS HB3 . 18942 1 1153 . 1 1 106 106 LYS C C 13 174.143 0.2 . 1 . . . . 106 LYS C . 18942 1 1154 . 1 1 106 106 LYS CA C 13 57.647 0.2 . 1 . . . . 106 LYS CA . 18942 1 1155 . 1 1 106 106 LYS CB C 13 33.387 0.2 . 1 . . . . 106 LYS CB . 18942 1 1156 . 1 1 106 106 LYS N N 15 128.761 0.2 . 1 . . . . 106 LYS N . 18942 1 1157 . 1 1 107 107 LYS H H 1 8.401 0.02 . 1 . . . . 107 LYS H . 18942 1 1158 . 1 1 107 107 LYS HA H 1 4.97 0.02 . 1 . . . . 107 LYS HA . 18942 1 1159 . 1 1 107 107 LYS HB2 H 1 0.745 0.02 . 2 . . . . 107 LYS HB2 . 18942 1 1160 . 1 1 107 107 LYS HB3 H 1 0.745 0.02 . 2 . . . . 107 LYS HB3 . 18942 1 1161 . 1 1 107 107 LYS HD2 H 1 1.261 0.02 . 2 . . . . 107 LYS HD2 . 18942 1 1162 . 1 1 107 107 LYS HD3 H 1 1.261 0.02 . 2 . . . . 107 LYS HD3 . 18942 1 1163 . 1 1 107 107 LYS C C 13 176.54 0.2 . 1 . . . . 107 LYS C . 18942 1 1164 . 1 1 107 107 LYS CA C 13 55.587 0.2 . 1 . . . . 107 LYS CA . 18942 1 1165 . 1 1 107 107 LYS CB C 13 35.607 0.2 . 1 . . . . 107 LYS CB . 18942 1 1166 . 1 1 107 107 LYS N N 15 123.859 0.2 . 1 . . . . 107 LYS N . 18942 1 1167 . 1 1 108 108 VAL H H 1 8.94 0.02 . 1 . . . . 108 VAL H . 18942 1 1168 . 1 1 108 108 VAL HA H 1 5.163 0.02 . 1 . . . . 108 VAL HA . 18942 1 1169 . 1 1 108 108 VAL HB H 1 1.941 0.02 . 1 . . . . 108 VAL HB . 18942 1 1170 . 1 1 108 108 VAL HG11 H 1 1.055 0.02 . 2 . . . . 108 VAL HG11 . 18942 1 1171 . 1 1 108 108 VAL HG12 H 1 1.055 0.02 . 2 . . . . 108 VAL HG12 . 18942 1 1172 . 1 1 108 108 VAL HG13 H 1 1.055 0.02 . 2 . . . . 108 VAL HG13 . 18942 1 1173 . 1 1 108 108 VAL HG21 H 1 1.019 0.02 . 2 . . . . 108 VAL HG21 . 18942 1 1174 . 1 1 108 108 VAL HG22 H 1 1.019 0.02 . 2 . . . . 108 VAL HG22 . 18942 1 1175 . 1 1 108 108 VAL HG23 H 1 1.019 0.02 . 2 . . . . 108 VAL HG23 . 18942 1 1176 . 1 1 108 108 VAL C C 13 174.507 0.2 . 1 . . . . 108 VAL C . 18942 1 1177 . 1 1 108 108 VAL CA C 13 60.011 0.2 . 1 . . . . 108 VAL CA . 18942 1 1178 . 1 1 108 108 VAL CB C 13 36.923 0.2 . 1 . . . . 108 VAL CB . 18942 1 1179 . 1 1 108 108 VAL CG1 C 13 22.427 0.2 . 2 . . . . 108 VAL CG1 . 18942 1 1180 . 1 1 108 108 VAL CG2 C 13 22.22 0.2 . 2 . . . . 108 VAL CG2 . 18942 1 1181 . 1 1 108 108 VAL N N 15 123.296 0.2 . 1 . . . . 108 VAL N . 18942 1 1182 . 1 1 109 109 MET H H 1 9.599 0.02 . 1 . . . . 109 MET H . 18942 1 1183 . 1 1 109 109 MET HA H 1 5.992 0.02 . 1 . . . . 109 MET HA . 18942 1 1184 . 1 1 109 109 MET HB2 H 1 1.761 0.02 . 2 . . . . 109 MET HB2 . 18942 1 1185 . 1 1 109 109 MET HB3 H 1 1.925 0.02 . 2 . . . . 109 MET HB3 . 18942 1 1186 . 1 1 109 109 MET HG2 H 1 2.607 0.02 . 2 . . . . 109 MET HG2 . 18942 1 1187 . 1 1 109 109 MET HG3 H 1 2.446 0.02 . 2 . . . . 109 MET HG3 . 18942 1 1188 . 1 1 109 109 MET HE1 H 1 2.133 0.02 . 1 . . . . 109 MET HE1 . 18942 1 1189 . 1 1 109 109 MET HE2 H 1 2.133 0.02 . 1 . . . . 109 MET HE2 . 18942 1 1190 . 1 1 109 109 MET HE3 H 1 2.133 0.02 . 1 . . . . 109 MET HE3 . 18942 1 1191 . 1 1 109 109 MET C C 13 175.232 0.2 . 1 . . . . 109 MET C . 18942 1 1192 . 1 1 109 109 MET CA C 13 54.123 0.2 . 1 . . . . 109 MET CA . 18942 1 1193 . 1 1 109 109 MET CB C 13 39.36 0.2 . 1 . . . . 109 MET CB . 18942 1 1194 . 1 1 109 109 MET CG C 13 33.831 0.2 . 1 . . . . 109 MET CG . 18942 1 1195 . 1 1 109 109 MET CE C 13 18.352 0.2 . 1 . . . . 109 MET CE . 18942 1 1196 . 1 1 109 109 MET N N 15 125.297 0.2 . 1 . . . . 109 MET N . 18942 1 1197 . 1 1 110 110 VAL H H 1 8.484 0.02 . 1 . . . . 110 VAL H . 18942 1 1198 . 1 1 110 110 VAL HA H 1 5.004 0.02 . 1 . . . . 110 VAL HA . 18942 1 1199 . 1 1 110 110 VAL HB H 1 1.967 0.02 . 1 . . . . 110 VAL HB . 18942 1 1200 . 1 1 110 110 VAL HG11 H 1 0.745 0.02 . 2 . . . . 110 VAL HG11 . 18942 1 1201 . 1 1 110 110 VAL HG12 H 1 0.745 0.02 . 2 . . . . 110 VAL HG12 . 18942 1 1202 . 1 1 110 110 VAL HG13 H 1 0.745 0.02 . 2 . . . . 110 VAL HG13 . 18942 1 1203 . 1 1 110 110 VAL HG21 H 1 0.684 0.02 . 2 . . . . 110 VAL HG21 . 18942 1 1204 . 1 1 110 110 VAL HG22 H 1 0.684 0.02 . 2 . . . . 110 VAL HG22 . 18942 1 1205 . 1 1 110 110 VAL HG23 H 1 0.684 0.02 . 2 . . . . 110 VAL HG23 . 18942 1 1206 . 1 1 110 110 VAL CA C 13 61.198 0.2 . 1 . . . . 110 VAL CA . 18942 1 1207 . 1 1 110 110 VAL CB C 13 34.175 0.2 . 1 . . . . 110 VAL CB . 18942 1 1208 . 1 1 110 110 VAL CG1 C 13 20.603 0.2 . 2 . . . . 110 VAL CG1 . 18942 1 1209 . 1 1 110 110 VAL CG2 C 13 19.689 0.2 . 2 . . . . 110 VAL CG2 . 18942 1 1210 . 1 1 110 110 VAL N N 15 124.216 0.2 . 1 . . . . 110 VAL N . 18942 1 1211 . 1 1 111 111 ILE H H 1 9.33 0.02 . 1 . . . . 111 ILE H . 18942 1 1212 . 1 1 111 111 ILE HA H 1 5.211 0.02 . 1 . . . . 111 ILE HA . 18942 1 1213 . 1 1 111 111 ILE HB H 1 1.736 0.02 . 1 . . . . 111 ILE HB . 18942 1 1214 . 1 1 111 111 ILE HG12 H 1 1.101 0.02 . 2 . . . . 111 ILE HG12 . 18942 1 1215 . 1 1 111 111 ILE HG13 H 1 1.391 0.02 . 2 . . . . 111 ILE HG13 . 18942 1 1216 . 1 1 111 111 ILE HG21 H 1 0.906 0.02 . 1 . . . . 111 ILE HG21 . 18942 1 1217 . 1 1 111 111 ILE HG22 H 1 0.906 0.02 . 1 . . . . 111 ILE HG22 . 18942 1 1218 . 1 1 111 111 ILE HG23 H 1 0.906 0.02 . 1 . . . . 111 ILE HG23 . 18942 1 1219 . 1 1 111 111 ILE HD11 H 1 0.861 0.02 . 1 . . . . 111 ILE HD11 . 18942 1 1220 . 1 1 111 111 ILE HD12 H 1 0.861 0.02 . 1 . . . . 111 ILE HD12 . 18942 1 1221 . 1 1 111 111 ILE HD13 H 1 0.861 0.02 . 1 . . . . 111 ILE HD13 . 18942 1 1222 . 1 1 111 111 ILE C C 13 173.965 0.2 . 1 . . . . 111 ILE C . 18942 1 1223 . 1 1 111 111 ILE CA C 13 61.337 0.2 . 1 . . . . 111 ILE CA . 18942 1 1224 . 1 1 111 111 ILE CB C 13 41.289 0.2 . 1 . . . . 111 ILE CB . 18942 1 1225 . 1 1 111 111 ILE CG1 C 13 30.841 0.2 . 1 . . . . 111 ILE CG1 . 18942 1 1226 . 1 1 111 111 ILE CG2 C 13 19.436 0.2 . 1 . . . . 111 ILE CG2 . 18942 1 1227 . 1 1 111 111 ILE CD1 C 13 16.496 0.2 . 1 . . . . 111 ILE CD1 . 18942 1 1228 . 1 1 111 111 ILE N N 15 129.609 0.2 . 1 . . . . 111 ILE N . 18942 1 1229 . 1 1 112 112 VAL H H 1 8.376 0.02 . 1 . . . . 112 VAL H . 18942 1 1230 . 1 1 112 112 VAL HA H 1 5.039 0.02 . 1 . . . . 112 VAL HA . 18942 1 1231 . 1 1 112 112 VAL HB H 1 2.08 0.02 . 1 . . . . 112 VAL HB . 18942 1 1232 . 1 1 112 112 VAL HG11 H 1 0.537 0.02 . 2 . . . . 112 VAL HG11 . 18942 1 1233 . 1 1 112 112 VAL HG12 H 1 0.537 0.02 . 2 . . . . 112 VAL HG12 . 18942 1 1234 . 1 1 112 112 VAL HG13 H 1 0.537 0.02 . 2 . . . . 112 VAL HG13 . 18942 1 1235 . 1 1 112 112 VAL HG21 H 1 0.574 0.02 . 2 . . . . 112 VAL HG21 . 18942 1 1236 . 1 1 112 112 VAL HG22 H 1 0.574 0.02 . 2 . . . . 112 VAL HG22 . 18942 1 1237 . 1 1 112 112 VAL HG23 H 1 0.574 0.02 . 2 . . . . 112 VAL HG23 . 18942 1 1238 . 1 1 112 112 VAL C C 13 174.932 0.2 . 1 . . . . 112 VAL C . 18942 1 1239 . 1 1 112 112 VAL CA C 13 60.642 0.2 . 1 . . . . 112 VAL CA . 18942 1 1240 . 1 1 112 112 VAL CB C 13 33.19 0.2 . 1 . . . . 112 VAL CB . 18942 1 1241 . 1 1 112 112 VAL CG1 C 13 20.023 0.2 . 2 . . . . 112 VAL CG1 . 18942 1 1242 . 1 1 112 112 VAL CG2 C 13 21.109 0.2 . 2 . . . . 112 VAL CG2 . 18942 1 1243 . 1 1 112 112 VAL N N 15 128.418 0.2 . 1 . . . . 112 VAL N . 18942 1 1244 . 1 1 113 113 THR H H 1 8.521 0.02 . 1 . . . . 113 THR H . 18942 1 1245 . 1 1 113 113 THR HA H 1 4.689 0.02 . 1 . . . . 113 THR HA . 18942 1 1246 . 1 1 113 113 THR HB H 1 4.616 0.02 . 1 . . . . 113 THR HB . 18942 1 1247 . 1 1 113 113 THR HG21 H 1 0.967 0.02 . 1 . . . . 113 THR HG21 . 18942 1 1248 . 1 1 113 113 THR HG22 H 1 0.967 0.02 . 1 . . . . 113 THR HG22 . 18942 1 1249 . 1 1 113 113 THR HG23 H 1 0.967 0.02 . 1 . . . . 113 THR HG23 . 18942 1 1250 . 1 1 113 113 THR C C 13 170.881 0.2 . 1 . . . . 113 THR C . 18942 1 1251 . 1 1 113 113 THR CA C 13 60.693 0.2 . 1 . . . . 113 THR CA . 18942 1 1252 . 1 1 113 113 THR CB C 13 67.772 0.2 . 1 . . . . 113 THR CB . 18942 1 1253 . 1 1 113 113 THR CG2 C 13 17.817 0.2 . 1 . . . . 113 THR CG2 . 18942 1 1254 . 1 1 113 113 THR N N 15 117.676 0.2 . 1 . . . . 113 THR N . 18942 1 1255 . 1 1 114 114 ASP H H 1 7.341 0.02 . 1 . . . . 114 ASP H . 18942 1 1256 . 1 1 114 114 ASP HA H 1 4.514 0.02 . 1 . . . . 114 ASP HA . 18942 1 1257 . 1 1 114 114 ASP HB2 H 1 3.146 0.02 . 2 . . . . 114 ASP HB2 . 18942 1 1258 . 1 1 114 114 ASP HB3 H 1 3.146 0.02 . 2 . . . . 114 ASP HB3 . 18942 1 1259 . 1 1 114 114 ASP C C 13 177.015 0.2 . 1 . . . . 114 ASP C . 18942 1 1260 . 1 1 114 114 ASP CA C 13 54.041 0.2 . 1 . . . . 114 ASP CA . 18942 1 1261 . 1 1 114 114 ASP CB C 13 42.671 0.2 . 1 . . . . 114 ASP CB . 18942 1 1262 . 1 1 114 114 ASP N N 15 123.639 0.2 . 1 . . . . 114 ASP N . 18942 1 1263 . 1 1 115 115 GLY H H 1 7.312 0.02 . 1 . . . . 115 GLY H . 18942 1 1264 . 1 1 115 115 GLY HA2 H 1 3.623 0.02 . 2 . . . . 115 GLY HA2 . 18942 1 1265 . 1 1 115 115 GLY HA3 H 1 4.114 0.02 . 2 . . . . 115 GLY HA3 . 18942 1 1266 . 1 1 115 115 GLY C C 13 171.751 0.2 . 1 . . . . 115 GLY C . 18942 1 1267 . 1 1 115 115 GLY CA C 13 46.67 0.2 . 1 . . . . 115 GLY CA . 18942 1 1268 . 1 1 115 115 GLY N N 15 104.29 0.2 . 1 . . . . 115 GLY N . 18942 1 1269 . 1 1 116 116 GLU H H 1 7.332 0.02 . 1 . . . . 116 GLU H . 18942 1 1270 . 1 1 116 116 GLU HA H 1 3.968 0.02 . 1 . . . . 116 GLU HA . 18942 1 1271 . 1 1 116 116 GLU HB2 H 1 1.611 0.02 . 2 . . . . 116 GLU HB2 . 18942 1 1272 . 1 1 116 116 GLU HB3 H 1 1.611 0.02 . 2 . . . . 116 GLU HB3 . 18942 1 1273 . 1 1 116 116 GLU HG2 H 1 1.097 0.02 . 2 . . . . 116 GLU HG2 . 18942 1 1274 . 1 1 116 116 GLU HG3 H 1 1.493 0.02 . 2 . . . . 116 GLU HG3 . 18942 1 1275 . 1 1 116 116 GLU C C 13 175.037 0.2 . 1 . . . . 116 GLU C . 18942 1 1276 . 1 1 116 116 GLU CA C 13 54.252 0.2 . 1 . . . . 116 GLU CA . 18942 1 1277 . 1 1 116 116 GLU CB C 13 27.313 0.2 . 1 . . . . 116 GLU CB . 18942 1 1278 . 1 1 116 116 GLU CG C 13 36.098 0.2 . 1 . . . . 116 GLU CG . 18942 1 1279 . 1 1 116 116 GLU N N 15 121.551 0.2 . 1 . . . . 116 GLU N . 18942 1 1280 . 1 1 117 117 SER H H 1 7.964 0.02 . 1 . . . . 117 SER H . 18942 1 1281 . 1 1 117 117 SER C C 13 176.356 0.2 . 1 . . . . 117 SER C . 18942 1 1282 . 1 1 117 117 SER CA C 13 57.832 0.2 . 1 . . . . 117 SER CA . 18942 1 1283 . 1 1 117 117 SER CB C 13 66.407 0.2 . 1 . . . . 117 SER CB . 18942 1 1284 . 1 1 117 117 SER N N 15 117.65 0.2 . 1 . . . . 117 SER N . 18942 1 1285 . 1 1 118 118 HIS H H 1 9.274 0.02 . 1 . . . . 118 HIS H . 18942 1 1286 . 1 1 118 118 HIS HA H 1 4.772 0.02 . 1 . . . . 118 HIS HA . 18942 1 1287 . 1 1 118 118 HIS HB2 H 1 3.408 0.02 . 2 . . . . 118 HIS HB2 . 18942 1 1288 . 1 1 118 118 HIS HB3 H 1 2.787 0.02 . 2 . . . . 118 HIS HB3 . 18942 1 1289 . 1 1 118 118 HIS C C 13 176.602 0.2 . 1 . . . . 118 HIS C . 18942 1 1290 . 1 1 118 118 HIS CA C 13 59.291 0.2 . 1 . . . . 118 HIS CA . 18942 1 1291 . 1 1 118 118 HIS CB C 13 32.819 0.2 . 1 . . . . 118 HIS CB . 18942 1 1292 . 1 1 118 118 HIS N N 15 116.463 0.2 . 1 . . . . 118 HIS N . 18942 1 1293 . 1 1 119 119 ASP H H 1 8.16 0.02 . 1 . . . . 119 ASP H . 18942 1 1294 . 1 1 119 119 ASP HA H 1 4.88 0.02 . 1 . . . . 119 ASP HA . 18942 1 1295 . 1 1 119 119 ASP HB2 H 1 2.532 0.02 . 2 . . . . 119 ASP HB2 . 18942 1 1296 . 1 1 119 119 ASP HB3 H 1 2.81 0.02 . 2 . . . . 119 ASP HB3 . 18942 1 1297 . 1 1 119 119 ASP CA C 13 52.565 0.2 . 1 . . . . 119 ASP CA . 18942 1 1298 . 1 1 119 119 ASP CB C 13 40.309 0.2 . 1 . . . . 119 ASP CB . 18942 1 1299 . 1 1 119 119 ASP N N 15 121.117 0.2 . 1 . . . . 119 ASP N . 18942 1 1300 . 1 1 120 120 ASN HA H 1 4.385 0.02 . 1 . . . . 120 ASN HA . 18942 1 1301 . 1 1 120 120 ASN HB2 H 1 2.844 0.02 . 2 . . . . 120 ASN HB2 . 18942 1 1302 . 1 1 120 120 ASN HB3 H 1 2.923 0.02 . 2 . . . . 120 ASN HB3 . 18942 1 1303 . 1 1 120 120 ASN HD21 H 1 7.923 0.02 . 2 . . . . 120 ASN HD21 . 18942 1 1304 . 1 1 120 120 ASN HD22 H 1 6.92 0.02 . 2 . . . . 120 ASN HD22 . 18942 1 1305 . 1 1 120 120 ASN CA C 13 56.154 0.2 . 1 . . . . 120 ASN CA . 18942 1 1306 . 1 1 120 120 ASN CB C 13 38.139 0.2 . 1 . . . . 120 ASN CB . 18942 1 1307 . 1 1 120 120 ASN ND2 N 15 114.74 0.2 . 1 . . . . 120 ASN ND2 . 18942 1 1308 . 1 1 121 121 HIS HA H 1 4.403 0.02 . 1 . . . . 121 HIS HA . 18942 1 1309 . 1 1 121 121 HIS HB2 H 1 3.141 0.02 . 2 . . . . 121 HIS HB2 . 18942 1 1310 . 1 1 121 121 HIS HB3 H 1 3.031 0.02 . 2 . . . . 121 HIS HB3 . 18942 1 1311 . 1 1 121 121 HIS CA C 13 58.471 0.2 . 1 . . . . 121 HIS CA . 18942 1 1312 . 1 1 121 121 HIS CB C 13 29.51 0.2 . 1 . . . . 121 HIS CB . 18942 1 1313 . 1 1 122 122 ARG H H 1 7.299 0.02 . 1 . . . . 122 ARG H . 18942 1 1314 . 1 1 122 122 ARG HA H 1 4.364 0.02 . 1 . . . . 122 ARG HA . 18942 1 1315 . 1 1 122 122 ARG HB2 H 1 1.427 0.02 . 2 . . . . 122 ARG HB2 . 18942 1 1316 . 1 1 122 122 ARG HB3 H 1 1.606 0.02 . 2 . . . . 122 ARG HB3 . 18942 1 1317 . 1 1 122 122 ARG HG2 H 1 1.134 0.02 . 2 . . . . 122 ARG HG2 . 18942 1 1318 . 1 1 122 122 ARG HG3 H 1 0.908 0.02 . 2 . . . . 122 ARG HG3 . 18942 1 1319 . 1 1 122 122 ARG HD2 H 1 3.04 0.02 . 2 . . . . 122 ARG HD2 . 18942 1 1320 . 1 1 122 122 ARG HD3 H 1 3.04 0.02 . 2 . . . . 122 ARG HD3 . 18942 1 1321 . 1 1 122 122 ARG CA C 13 55.611 0.2 . 1 . . . . 122 ARG CA . 18942 1 1322 . 1 1 122 122 ARG CB C 13 31.786 0.2 . 1 . . . . 122 ARG CB . 18942 1 1323 . 1 1 122 122 ARG CG C 13 27.221 0.2 . 1 . . . . 122 ARG CG . 18942 1 1324 . 1 1 122 122 ARG CD C 13 43.614 0.2 . 1 . . . . 122 ARG CD . 18942 1 1325 . 1 1 122 122 ARG N N 15 118.556 0.2 . 1 . . . . 122 ARG N . 18942 1 1326 . 1 1 123 123 LEU H H 1 7.065 0.02 . 1 . . . . 123 LEU H . 18942 1 1327 . 1 1 123 123 LEU HA H 1 3.652 0.02 . 1 . . . . 123 LEU HA . 18942 1 1328 . 1 1 123 123 LEU HB2 H 1 1.635 0.02 . 2 . . . . 123 LEU HB2 . 18942 1 1329 . 1 1 123 123 LEU HB3 H 1 1.635 0.02 . 2 . . . . 123 LEU HB3 . 18942 1 1330 . 1 1 123 123 LEU HD11 H 1 0.643 0.02 . 2 . . . . 123 LEU HD11 . 18942 1 1331 . 1 1 123 123 LEU HD12 H 1 0.643 0.02 . 2 . . . . 123 LEU HD12 . 18942 1 1332 . 1 1 123 123 LEU HD13 H 1 0.643 0.02 . 2 . . . . 123 LEU HD13 . 18942 1 1333 . 1 1 123 123 LEU HD21 H 1 0.615 0.02 . 2 . . . . 123 LEU HD21 . 18942 1 1334 . 1 1 123 123 LEU HD22 H 1 0.615 0.02 . 2 . . . . 123 LEU HD22 . 18942 1 1335 . 1 1 123 123 LEU HD23 H 1 0.615 0.02 . 2 . . . . 123 LEU HD23 . 18942 1 1336 . 1 1 123 123 LEU CA C 13 58.471 0.2 . 1 . . . . 123 LEU CA . 18942 1 1337 . 1 1 123 123 LEU CB C 13 42.176 0.2 . 1 . . . . 123 LEU CB . 18942 1 1338 . 1 1 123 123 LEU CG C 13 29.761 0.2 . 1 . . . . 123 LEU CG . 18942 1 1339 . 1 1 123 123 LEU CD1 C 13 24.925 0.2 . 2 . . . . 123 LEU CD1 . 18942 1 1340 . 1 1 123 123 LEU CD2 C 13 22.619 0.2 . 2 . . . . 123 LEU CD2 . 18942 1 1341 . 1 1 123 123 LEU N N 15 120.427 0.2 . 1 . . . . 123 LEU N . 18942 1 1342 . 1 1 124 124 LYS H H 1 8.426 0.02 . 1 . . . . 124 LYS H . 18942 1 1343 . 1 1 124 124 LYS HA H 1 3.712 0.02 . 1 . . . . 124 LYS HA . 18942 1 1344 . 1 1 124 124 LYS HB2 H 1 1.694 0.02 . 2 . . . . 124 LYS HB2 . 18942 1 1345 . 1 1 124 124 LYS HB3 H 1 1.656 0.02 . 2 . . . . 124 LYS HB3 . 18942 1 1346 . 1 1 124 124 LYS HG2 H 1 1.259 0.02 . 2 . . . . 124 LYS HG2 . 18942 1 1347 . 1 1 124 124 LYS HG3 H 1 1.408 0.02 . 2 . . . . 124 LYS HG3 . 18942 1 1348 . 1 1 124 124 LYS CA C 13 60.473 0.2 . 1 . . . . 124 LYS CA . 18942 1 1349 . 1 1 124 124 LYS CB C 13 31.875 0.2 . 1 . . . . 124 LYS CB . 18942 1 1350 . 1 1 124 124 LYS CG C 13 25.345 0.2 . 1 . . . . 124 LYS CG . 18942 1 1351 . 1 1 124 124 LYS N N 15 117.643 0.2 . 1 . . . . 124 LYS N . 18942 1 1352 . 1 1 125 125 LYS H H 1 7.746 0.02 . 1 . . . . 125 LYS H . 18942 1 1353 . 1 1 125 125 LYS HA H 1 4.005 0.02 . 1 . . . . 125 LYS HA . 18942 1 1354 . 1 1 125 125 LYS HB2 H 1 1.691 0.02 . 2 . . . . 125 LYS HB2 . 18942 1 1355 . 1 1 125 125 LYS HB3 H 1 1.691 0.02 . 2 . . . . 125 LYS HB3 . 18942 1 1356 . 1 1 125 125 LYS HG2 H 1 1.34 0.02 . 2 . . . . 125 LYS HG2 . 18942 1 1357 . 1 1 125 125 LYS HG3 H 1 1.34 0.02 . 2 . . . . 125 LYS HG3 . 18942 1 1358 . 1 1 125 125 LYS HD2 H 1 1.467 0.02 . 2 . . . . 125 LYS HD2 . 18942 1 1359 . 1 1 125 125 LYS HD3 H 1 1.7 0.02 . 2 . . . . 125 LYS HD3 . 18942 1 1360 . 1 1 125 125 LYS CA C 13 58.352 0.2 . 1 . . . . 125 LYS CA . 18942 1 1361 . 1 1 125 125 LYS CB C 13 31.484 0.2 . 1 . . . . 125 LYS CB . 18942 1 1362 . 1 1 125 125 LYS CG C 13 25.078 0.2 . 1 . . . . 125 LYS CG . 18942 1 1363 . 1 1 125 125 LYS CD C 13 28.36 0.2 . 1 . . . . 125 LYS CD . 18942 1 1364 . 1 1 125 125 LYS N N 15 120.249 0.2 . 1 . . . . 125 LYS N . 18942 1 1365 . 1 1 126 126 VAL H H 1 7.45 0.02 . 1 . . . . 126 VAL H . 18942 1 1366 . 1 1 126 126 VAL HA H 1 3.824 0.02 . 1 . . . . 126 VAL HA . 18942 1 1367 . 1 1 126 126 VAL HB H 1 2.07 0.02 . 1 . . . . 126 VAL HB . 18942 1 1368 . 1 1 126 126 VAL HG11 H 1 0.934 0.02 . 2 . . . . 126 VAL HG11 . 18942 1 1369 . 1 1 126 126 VAL HG12 H 1 0.934 0.02 . 2 . . . . 126 VAL HG12 . 18942 1 1370 . 1 1 126 126 VAL HG13 H 1 0.934 0.02 . 2 . . . . 126 VAL HG13 . 18942 1 1371 . 1 1 126 126 VAL HG21 H 1 0.934 0.02 . 2 . . . . 126 VAL HG21 . 18942 1 1372 . 1 1 126 126 VAL HG22 H 1 0.934 0.02 . 2 . . . . 126 VAL HG22 . 18942 1 1373 . 1 1 126 126 VAL HG23 H 1 0.934 0.02 . 2 . . . . 126 VAL HG23 . 18942 1 1374 . 1 1 126 126 VAL C C 13 178.187 0.2 . 1 . . . . 126 VAL C . 18942 1 1375 . 1 1 126 126 VAL CA C 13 66.142 0.2 . 1 . . . . 126 VAL CA . 18942 1 1376 . 1 1 126 126 VAL CB C 13 31.976 0.2 . 1 . . . . 126 VAL CB . 18942 1 1377 . 1 1 126 126 VAL CG2 C 13 22.948 0.2 . 2 . . . . 126 VAL CG2 . 18942 1 1378 . 1 1 126 126 VAL N N 15 118.608 0.2 . 1 . . . . 126 VAL N . 18942 1 1379 . 1 1 127 127 ILE H H 1 8.653 0.02 . 1 . . . . 127 ILE H . 18942 1 1380 . 1 1 127 127 ILE HA H 1 3.521 0.02 . 1 . . . . 127 ILE HA . 18942 1 1381 . 1 1 127 127 ILE HB H 1 2.019 0.02 . 1 . . . . 127 ILE HB . 18942 1 1382 . 1 1 127 127 ILE HG12 H 1 1.285 0.02 . 2 . . . . 127 ILE HG12 . 18942 1 1383 . 1 1 127 127 ILE HG13 H 1 1.484 0.02 . 2 . . . . 127 ILE HG13 . 18942 1 1384 . 1 1 127 127 ILE HG21 H 1 0.761 0.02 . 1 . . . . 127 ILE HG21 . 18942 1 1385 . 1 1 127 127 ILE HG22 H 1 0.761 0.02 . 1 . . . . 127 ILE HG22 . 18942 1 1386 . 1 1 127 127 ILE HG23 H 1 0.761 0.02 . 1 . . . . 127 ILE HG23 . 18942 1 1387 . 1 1 127 127 ILE HD11 H 1 0.682 0.02 . 1 . . . . 127 ILE HD11 . 18942 1 1388 . 1 1 127 127 ILE HD12 H 1 0.682 0.02 . 1 . . . . 127 ILE HD12 . 18942 1 1389 . 1 1 127 127 ILE HD13 H 1 0.682 0.02 . 1 . . . . 127 ILE HD13 . 18942 1 1390 . 1 1 127 127 ILE C C 13 178.008 0.2 . 1 . . . . 127 ILE C . 18942 1 1391 . 1 1 127 127 ILE CA C 13 63.283 0.2 . 1 . . . . 127 ILE CA . 18942 1 1392 . 1 1 127 127 ILE CB C 13 35.369 0.2 . 1 . . . . 127 ILE CB . 18942 1 1393 . 1 1 127 127 ILE CG1 C 13 27.644 0.2 . 1 . . . . 127 ILE CG1 . 18942 1 1394 . 1 1 127 127 ILE CG2 C 13 17.599 0.2 . 1 . . . . 127 ILE CG2 . 18942 1 1395 . 1 1 127 127 ILE CD1 C 13 11.639 0.2 . 1 . . . . 127 ILE CD1 . 18942 1 1396 . 1 1 127 127 ILE N N 15 121.045 0.2 . 1 . . . . 127 ILE N . 18942 1 1397 . 1 1 128 128 GLN H H 1 8.009 0.02 . 1 . . . . 128 GLN H . 18942 1 1398 . 1 1 128 128 GLN HA H 1 3.807 0.02 . 1 . . . . 128 GLN HA . 18942 1 1399 . 1 1 128 128 GLN HB2 H 1 2.078 0.02 . 2 . . . . 128 GLN HB2 . 18942 1 1400 . 1 1 128 128 GLN HB3 H 1 2.078 0.02 . 2 . . . . 128 GLN HB3 . 18942 1 1401 . 1 1 128 128 GLN HG2 H 1 2.357 0.02 . 2 . . . . 128 GLN HG2 . 18942 1 1402 . 1 1 128 128 GLN HG3 H 1 2.285 0.02 . 2 . . . . 128 GLN HG3 . 18942 1 1403 . 1 1 128 128 GLN C C 13 178.258 0.2 . 1 . . . . 128 GLN C . 18942 1 1404 . 1 1 128 128 GLN CA C 13 58.797 0.2 . 1 . . . . 128 GLN CA . 18942 1 1405 . 1 1 128 128 GLN CB C 13 27.505 0.2 . 1 . . . . 128 GLN CB . 18942 1 1406 . 1 1 128 128 GLN CG C 13 34.05 0.2 . 1 . . . . 128 GLN CG . 18942 1 1407 . 1 1 128 128 GLN N N 15 122.03 0.2 . 1 . . . . 128 GLN N . 18942 1 1408 . 1 1 129 129 ASP H H 1 8.428 0.02 . 1 . . . . 129 ASP H . 18942 1 1409 . 1 1 129 129 ASP HA H 1 4.33 0.02 . 1 . . . . 129 ASP HA . 18942 1 1410 . 1 1 129 129 ASP HB2 H 1 2.818 0.02 . 2 . . . . 129 ASP HB2 . 18942 1 1411 . 1 1 129 129 ASP HB3 H 1 2.3 0.02 . 2 . . . . 129 ASP HB3 . 18942 1 1412 . 1 1 129 129 ASP C C 13 179.705 0.2 . 1 . . . . 129 ASP C . 18942 1 1413 . 1 1 129 129 ASP CA C 13 58.062 0.2 . 1 . . . . 129 ASP CA . 18942 1 1414 . 1 1 129 129 ASP CB C 13 39.777 0.2 . 1 . . . . 129 ASP CB . 18942 1 1415 . 1 1 129 129 ASP N N 15 119.944 0.2 . 1 . . . . 129 ASP N . 18942 1 1416 . 1 1 130 130 CYS H H 1 7.608 0.02 . 1 . . . . 130 CYS H . 18942 1 1417 . 1 1 130 130 CYS HA H 1 3.859 0.02 . 1 . . . . 130 CYS HA . 18942 1 1418 . 1 1 130 130 CYS HB2 H 1 3.556 0.02 . 2 . . . . 130 CYS HB2 . 18942 1 1419 . 1 1 130 130 CYS HB3 H 1 2.329 0.02 . 2 . . . . 130 CYS HB3 . 18942 1 1420 . 1 1 130 130 CYS C C 13 176.824 0.2 . 1 . . . . 130 CYS C . 18942 1 1421 . 1 1 130 130 CYS CA C 13 64.211 0.2 . 1 . . . . 130 CYS CA . 18942 1 1422 . 1 1 130 130 CYS CB C 13 27.77 0.2 . 1 . . . . 130 CYS CB . 18942 1 1423 . 1 1 130 130 CYS N N 15 116.456 0.2 . 1 . . . . 130 CYS N . 18942 1 1424 . 1 1 131 131 GLU H H 1 8.538 0.02 . 1 . . . . 131 GLU H . 18942 1 1425 . 1 1 131 131 GLU HA H 1 3.892 0.02 . 1 . . . . 131 GLU HA . 18942 1 1426 . 1 1 131 131 GLU HB2 H 1 2.104 0.02 . 2 . . . . 131 GLU HB2 . 18942 1 1427 . 1 1 131 131 GLU HB3 H 1 1.977 0.02 . 2 . . . . 131 GLU HB3 . 18942 1 1428 . 1 1 131 131 GLU HG2 H 1 2.299 0.02 . 2 . . . . 131 GLU HG2 . 18942 1 1429 . 1 1 131 131 GLU HG3 H 1 2.174 0.02 . 2 . . . . 131 GLU HG3 . 18942 1 1430 . 1 1 131 131 GLU C C 13 180.904 0.2 . 1 . . . . 131 GLU C . 18942 1 1431 . 1 1 131 131 GLU CA C 13 59.01 0.2 . 1 . . . . 131 GLU CA . 18942 1 1432 . 1 1 131 131 GLU CB C 13 29.418 0.2 . 1 . . . . 131 GLU CB . 18942 1 1433 . 1 1 131 131 GLU CG C 13 34.976 0.2 . 1 . . . . 131 GLU CG . 18942 1 1434 . 1 1 131 131 GLU N N 15 124.018 0.2 . 1 . . . . 131 GLU N . 18942 1 1435 . 1 1 132 132 ASP H H 1 8.844 0.02 . 1 . . . . 132 ASP H . 18942 1 1436 . 1 1 132 132 ASP HA H 1 4.319 0.02 . 1 . . . . 132 ASP HA . 18942 1 1437 . 1 1 132 132 ASP HB2 H 1 2.665 0.02 . 2 . . . . 132 ASP HB2 . 18942 1 1438 . 1 1 132 132 ASP HB3 H 1 2.787 0.02 . 2 . . . . 132 ASP HB3 . 18942 1 1439 . 1 1 132 132 ASP C C 13 177.666 0.2 . 1 . . . . 132 ASP C . 18942 1 1440 . 1 1 132 132 ASP CA C 13 57.002 0.2 . 1 . . . . 132 ASP CA . 18942 1 1441 . 1 1 132 132 ASP CB C 13 40.439 0.2 . 1 . . . . 132 ASP CB . 18942 1 1442 . 1 1 132 132 ASP N N 15 121.978 0.2 . 1 . . . . 132 ASP N . 18942 1 1443 . 1 1 133 133 GLU H H 1 6.997 0.02 . 1 . . . . 133 GLU H . 18942 1 1444 . 1 1 133 133 GLU HA H 1 4.224 0.02 . 1 . . . . 133 GLU HA . 18942 1 1445 . 1 1 133 133 GLU HB2 H 1 2.178 0.02 . 2 . . . . 133 GLU HB2 . 18942 1 1446 . 1 1 133 133 GLU HB3 H 1 1.683 0.02 . 2 . . . . 133 GLU HB3 . 18942 1 1447 . 1 1 133 133 GLU HG2 H 1 2.05 0.02 . 2 . . . . 133 GLU HG2 . 18942 1 1448 . 1 1 133 133 GLU HG3 H 1 2.386 0.02 . 2 . . . . 133 GLU HG3 . 18942 1 1449 . 1 1 133 133 GLU C C 13 174.841 0.2 . 1 . . . . 133 GLU C . 18942 1 1450 . 1 1 133 133 GLU CA C 13 56.298 0.2 . 1 . . . . 133 GLU CA . 18942 1 1451 . 1 1 133 133 GLU CB C 13 30.266 0.2 . 1 . . . . 133 GLU CB . 18942 1 1452 . 1 1 133 133 GLU CG C 13 37.724 0.2 . 1 . . . . 133 GLU CG . 18942 1 1453 . 1 1 133 133 GLU N N 15 117.232 0.2 . 1 . . . . 133 GLU N . 18942 1 1454 . 1 1 134 134 ASN H H 1 8.069 0.02 . 1 . . . . 134 ASN H . 18942 1 1455 . 1 1 134 134 ASN HA H 1 4.242 0.02 . 1 . . . . 134 ASN HA . 18942 1 1456 . 1 1 134 134 ASN HB2 H 1 2.951 0.02 . 2 . . . . 134 ASN HB2 . 18942 1 1457 . 1 1 134 134 ASN HB3 H 1 2.731 0.02 . 2 . . . . 134 ASN HB3 . 18942 1 1458 . 1 1 134 134 ASN HD21 H 1 6.751 0.02 . 2 . . . . 134 ASN HD21 . 18942 1 1459 . 1 1 134 134 ASN HD22 H 1 7.424 0.02 . 2 . . . . 134 ASN HD22 . 18942 1 1460 . 1 1 134 134 ASN C C 13 174.994 0.2 . 1 . . . . 134 ASN C . 18942 1 1461 . 1 1 134 134 ASN CA C 13 54.449 0.2 . 1 . . . . 134 ASN CA . 18942 1 1462 . 1 1 134 134 ASN CB C 13 37.147 0.2 . 1 . . . . 134 ASN CB . 18942 1 1463 . 1 1 134 134 ASN N N 15 114.799 0.2 . 1 . . . . 134 ASN N . 18942 1 1464 . 1 1 134 134 ASN ND2 N 15 112.355 0.2 . 1 . . . . 134 ASN ND2 . 18942 1 1465 . 1 1 135 135 ILE H H 1 7.583 0.02 . 1 . . . . 135 ILE H . 18942 1 1466 . 1 1 135 135 ILE HA H 1 3.89 0.02 . 1 . . . . 135 ILE HA . 18942 1 1467 . 1 1 135 135 ILE HB H 1 1.326 0.02 . 1 . . . . 135 ILE HB . 18942 1 1468 . 1 1 135 135 ILE HG12 H 1 1.424 0.02 . 1 . . . . 135 ILE HG12 . 18942 1 1469 . 1 1 135 135 ILE HG13 H 1 1.424 0.02 . 1 . . . . 135 ILE HG13 . 18942 1 1470 . 1 1 135 135 ILE HG21 H 1 0.565 0.02 . 1 . . . . 135 ILE HG21 . 18942 1 1471 . 1 1 135 135 ILE HG22 H 1 0.565 0.02 . 1 . . . . 135 ILE HG22 . 18942 1 1472 . 1 1 135 135 ILE HG23 H 1 0.565 0.02 . 1 . . . . 135 ILE HG23 . 18942 1 1473 . 1 1 135 135 ILE HD11 H 1 0.635 0.02 . 1 . . . . 135 ILE HD11 . 18942 1 1474 . 1 1 135 135 ILE HD12 H 1 0.635 0.02 . 1 . . . . 135 ILE HD12 . 18942 1 1475 . 1 1 135 135 ILE HD13 H 1 0.635 0.02 . 1 . . . . 135 ILE HD13 . 18942 1 1476 . 1 1 135 135 ILE C C 13 175.226 0.2 . 1 . . . . 135 ILE C . 18942 1 1477 . 1 1 135 135 ILE CA C 13 61.286 0.2 . 1 . . . . 135 ILE CA . 18942 1 1478 . 1 1 135 135 ILE CB C 13 39.056 0.2 . 1 . . . . 135 ILE CB . 18942 1 1479 . 1 1 135 135 ILE CG1 C 13 27.694 0.2 . 1 . . . . 135 ILE CG1 . 18942 1 1480 . 1 1 135 135 ILE CG2 C 13 17.703 0.2 . 1 . . . . 135 ILE CG2 . 18942 1 1481 . 1 1 135 135 ILE CD1 C 13 14.575 0.2 . 1 . . . . 135 ILE CD1 . 18942 1 1482 . 1 1 135 135 ILE N N 15 119.422 0.2 . 1 . . . . 135 ILE N . 18942 1 1483 . 1 1 136 136 GLN H H 1 7.95 0.02 . 1 . . . . 136 GLN H . 18942 1 1484 . 1 1 136 136 GLN HA H 1 3.908 0.02 . 1 . . . . 136 GLN HA . 18942 1 1485 . 1 1 136 136 GLN HB2 H 1 1.971 0.02 . 2 . . . . 136 GLN HB2 . 18942 1 1486 . 1 1 136 136 GLN HB3 H 1 1.971 0.02 . 2 . . . . 136 GLN HB3 . 18942 1 1487 . 1 1 136 136 GLN HG2 H 1 1.964 0.02 . 2 . . . . 136 GLN HG2 . 18942 1 1488 . 1 1 136 136 GLN HG3 H 1 2.165 0.02 . 2 . . . . 136 GLN HG3 . 18942 1 1489 . 1 1 136 136 GLN C C 13 174.743 0.2 . 1 . . . . 136 GLN C . 18942 1 1490 . 1 1 136 136 GLN CA C 13 56.088 0.2 . 1 . . . . 136 GLN CA . 18942 1 1491 . 1 1 136 136 GLN CB C 13 29.385 0.2 . 1 . . . . 136 GLN CB . 18942 1 1492 . 1 1 136 136 GLN CG C 13 33.263 0.2 . 1 . . . . 136 GLN CG . 18942 1 1493 . 1 1 136 136 GLN N N 15 132.279 0.2 . 1 . . . . 136 GLN N . 18942 1 1494 . 1 1 137 137 ARG H H 1 9.182 0.02 . 1 . . . . 137 ARG H . 18942 1 1495 . 1 1 137 137 ARG HA H 1 5.425 0.02 . 1 . . . . 137 ARG HA . 18942 1 1496 . 1 1 137 137 ARG HB2 H 1 1.222 0.02 . 2 . . . . 137 ARG HB2 . 18942 1 1497 . 1 1 137 137 ARG HB3 H 1 1.222 0.02 . 2 . . . . 137 ARG HB3 . 18942 1 1498 . 1 1 137 137 ARG C C 13 175.598 0.2 . 1 . . . . 137 ARG C . 18942 1 1499 . 1 1 137 137 ARG CA C 13 54.853 0.2 . 1 . . . . 137 ARG CA . 18942 1 1500 . 1 1 137 137 ARG CB C 13 31.12 0.2 . 1 . . . . 137 ARG CB . 18942 1 1501 . 1 1 137 137 ARG N N 15 125.111 0.2 . 1 . . . . 137 ARG N . 18942 1 1502 . 1 1 138 138 PHE H H 1 9.214 0.02 . 1 . . . . 138 PHE H . 18942 1 1503 . 1 1 138 138 PHE HA H 1 5.678 0.02 . 1 . . . . 138 PHE HA . 18942 1 1504 . 1 1 138 138 PHE HB2 H 1 3.039 0.02 . 2 . . . . 138 PHE HB2 . 18942 1 1505 . 1 1 138 138 PHE HB3 H 1 3.013 0.02 . 2 . . . . 138 PHE HB3 . 18942 1 1506 . 1 1 138 138 PHE HD1 H 1 7.376 0.02 . 3 . . . . 138 PHE HD1 . 18942 1 1507 . 1 1 138 138 PHE HD2 H 1 7.376 0.02 . 3 . . . . 138 PHE HD2 . 18942 1 1508 . 1 1 138 138 PHE HE1 H 1 7.33 0.02 . 3 . . . . 138 PHE HE1 . 18942 1 1509 . 1 1 138 138 PHE HE2 H 1 7.33 0.02 . 3 . . . . 138 PHE HE2 . 18942 1 1510 . 1 1 138 138 PHE C C 13 175.241 0.2 . 1 . . . . 138 PHE C . 18942 1 1511 . 1 1 138 138 PHE CA C 13 56.641 0.2 . 1 . . . . 138 PHE CA . 18942 1 1512 . 1 1 138 138 PHE CB C 13 42.394 0.2 . 1 . . . . 138 PHE CB . 18942 1 1513 . 1 1 138 138 PHE CD1 C 13 131.99 0.2 . 3 . . . . 138 PHE CD1 . 18942 1 1514 . 1 1 138 138 PHE CE1 C 13 131.578 0.2 . 3 . . . . 138 PHE CE1 . 18942 1 1515 . 1 1 138 138 PHE N N 15 122.243 0.2 . 1 . . . . 138 PHE N . 18942 1 1516 . 1 1 139 139 SER H H 1 9.601 0.02 . 1 . . . . 139 SER H . 18942 1 1517 . 1 1 139 139 SER HA H 1 5.592 0.02 . 1 . . . . 139 SER HA . 18942 1 1518 . 1 1 139 139 SER HB2 H 1 3.671 0.02 . 2 . . . . 139 SER HB2 . 18942 1 1519 . 1 1 139 139 SER HB3 H 1 3.786 0.02 . 2 . . . . 139 SER HB3 . 18942 1 1520 . 1 1 139 139 SER C C 13 171.137 0.2 . 1 . . . . 139 SER C . 18942 1 1521 . 1 1 139 139 SER CA C 13 55.777 0.2 . 1 . . . . 139 SER CA . 18942 1 1522 . 1 1 139 139 SER CB C 13 66.783 0.2 . 1 . . . . 139 SER CB . 18942 1 1523 . 1 1 139 139 SER N N 15 118.964 0.2 . 1 . . . . 139 SER N . 18942 1 1524 . 1 1 140 140 ILE H H 1 9.066 0.02 . 1 . . . . 140 ILE H . 18942 1 1525 . 1 1 140 140 ILE HA H 1 4.991 0.02 . 1 . . . . 140 ILE HA . 18942 1 1526 . 1 1 140 140 ILE HG21 H 1 -0.054 0.02 . 1 . . . . 140 ILE HG21 . 18942 1 1527 . 1 1 140 140 ILE HG22 H 1 -0.054 0.02 . 1 . . . . 140 ILE HG22 . 18942 1 1528 . 1 1 140 140 ILE HG23 H 1 -0.054 0.02 . 1 . . . . 140 ILE HG23 . 18942 1 1529 . 1 1 140 140 ILE HD11 H 1 0.681 0.02 . 1 . . . . 140 ILE HD11 . 18942 1 1530 . 1 1 140 140 ILE HD12 H 1 0.681 0.02 . 1 . . . . 140 ILE HD12 . 18942 1 1531 . 1 1 140 140 ILE HD13 H 1 0.681 0.02 . 1 . . . . 140 ILE HD13 . 18942 1 1532 . 1 1 140 140 ILE C C 13 174.822 0.2 . 1 . . . . 140 ILE C . 18942 1 1533 . 1 1 140 140 ILE CA C 13 56.556 0.2 . 1 . . . . 140 ILE CA . 18942 1 1534 . 1 1 140 140 ILE CB C 13 37.629 0.2 . 1 . . . . 140 ILE CB . 18942 1 1535 . 1 1 140 140 ILE CG2 C 13 16.01 0.2 . 1 . . . . 140 ILE CG2 . 18942 1 1536 . 1 1 140 140 ILE CD1 C 13 11.404 0.2 . 1 . . . . 140 ILE CD1 . 18942 1 1537 . 1 1 140 140 ILE N N 15 124.156 0.2 . 1 . . . . 140 ILE N . 18942 1 1538 . 1 1 141 141 ALA H H 1 8.79 0.02 . 1 . . . . 141 ALA H . 18942 1 1539 . 1 1 141 141 ALA HA H 1 5.03 0.02 . 1 . . . . 141 ALA HA . 18942 1 1540 . 1 1 141 141 ALA HB1 H 1 1.418 0.02 . 1 . . . . 141 ALA HB1 . 18942 1 1541 . 1 1 141 141 ALA HB2 H 1 1.418 0.02 . 1 . . . . 141 ALA HB2 . 18942 1 1542 . 1 1 141 141 ALA HB3 H 1 1.418 0.02 . 1 . . . . 141 ALA HB3 . 18942 1 1543 . 1 1 141 141 ALA C C 13 177.131 0.2 . 1 . . . . 141 ALA C . 18942 1 1544 . 1 1 141 141 ALA CA C 13 51.117 0.2 . 1 . . . . 141 ALA CA . 18942 1 1545 . 1 1 141 141 ALA CB C 13 21.403 0.2 . 1 . . . . 141 ALA CB . 18942 1 1546 . 1 1 141 141 ALA N N 15 126.295 0.2 . 1 . . . . 141 ALA N . 18942 1 1547 . 1 1 142 142 ILE H H 1 7.973 0.02 . 1 . . . . 142 ILE H . 18942 1 1548 . 1 1 142 142 ILE HA H 1 4.359 0.02 . 1 . . . . 142 ILE HA . 18942 1 1549 . 1 1 142 142 ILE HB H 1 1.325 0.02 . 1 . . . . 142 ILE HB . 18942 1 1550 . 1 1 142 142 ILE HG12 H 1 1.247 0.02 . 2 . . . . 142 ILE HG12 . 18942 1 1551 . 1 1 142 142 ILE HG13 H 1 1.057 0.02 . 2 . . . . 142 ILE HG13 . 18942 1 1552 . 1 1 142 142 ILE HG21 H 1 0.794 0.02 . 1 . . . . 142 ILE HG21 . 18942 1 1553 . 1 1 142 142 ILE HG22 H 1 0.794 0.02 . 1 . . . . 142 ILE HG22 . 18942 1 1554 . 1 1 142 142 ILE HG23 H 1 0.794 0.02 . 1 . . . . 142 ILE HG23 . 18942 1 1555 . 1 1 142 142 ILE HD11 H 1 0.488 0.02 . 1 . . . . 142 ILE HD11 . 18942 1 1556 . 1 1 142 142 ILE HD12 H 1 0.488 0.02 . 1 . . . . 142 ILE HD12 . 18942 1 1557 . 1 1 142 142 ILE HD13 H 1 0.488 0.02 . 1 . . . . 142 ILE HD13 . 18942 1 1558 . 1 1 142 142 ILE C C 13 174.758 0.2 . 1 . . . . 142 ILE C . 18942 1 1559 . 1 1 142 142 ILE CA C 13 58.193 0.2 . 1 . . . . 142 ILE CA . 18942 1 1560 . 1 1 142 142 ILE CB C 13 39.082 0.2 . 1 . . . . 142 ILE CB . 18942 1 1561 . 1 1 142 142 ILE CG1 C 13 27.588 0.2 . 1 . . . . 142 ILE CG1 . 18942 1 1562 . 1 1 142 142 ILE CG2 C 13 16.008 0.2 . 1 . . . . 142 ILE CG2 . 18942 1 1563 . 1 1 142 142 ILE CD1 C 13 14.115 0.2 . 1 . . . . 142 ILE CD1 . 18942 1 1564 . 1 1 142 142 ILE N N 15 124.664 0.2 . 1 . . . . 142 ILE N . 18942 1 1565 . 1 1 143 143 LEU H H 1 8.019 0.02 . 1 . . . . 143 LEU H . 18942 1 1566 . 1 1 143 143 LEU HA H 1 4.465 0.02 . 1 . . . . 143 LEU HA . 18942 1 1567 . 1 1 143 143 LEU HB2 H 1 1.555 0.02 . 2 . . . . 143 LEU HB2 . 18942 1 1568 . 1 1 143 143 LEU HB3 H 1 1.629 0.02 . 2 . . . . 143 LEU HB3 . 18942 1 1569 . 1 1 143 143 LEU HG H 1 1.556 0.02 . 1 . . . . 143 LEU HG . 18942 1 1570 . 1 1 143 143 LEU HD11 H 1 0.939 0.02 . 1 . . . . 143 LEU HD11 . 18942 1 1571 . 1 1 143 143 LEU HD12 H 1 0.939 0.02 . 1 . . . . 143 LEU HD12 . 18942 1 1572 . 1 1 143 143 LEU HD13 H 1 0.939 0.02 . 1 . . . . 143 LEU HD13 . 18942 1 1573 . 1 1 143 143 LEU HD21 H 1 0.907 0.02 . 1 . . . . 143 LEU HD21 . 18942 1 1574 . 1 1 143 143 LEU HD22 H 1 0.907 0.02 . 1 . . . . 143 LEU HD22 . 18942 1 1575 . 1 1 143 143 LEU HD23 H 1 0.907 0.02 . 1 . . . . 143 LEU HD23 . 18942 1 1576 . 1 1 143 143 LEU CA C 13 54.972 0.2 . 1 . . . . 143 LEU CA . 18942 1 1577 . 1 1 143 143 LEU CB C 13 43.79 0.2 . 1 . . . . 143 LEU CB . 18942 1 1578 . 1 1 143 143 LEU CG C 13 27.928 0.2 . 1 . . . . 143 LEU CG . 18942 1 1579 . 1 1 143 143 LEU CD1 C 13 24.193 0.2 . 2 . . . . 143 LEU CD1 . 18942 1 1580 . 1 1 143 143 LEU CD2 C 13 25.738 0.2 . 2 . . . . 143 LEU CD2 . 18942 1 1581 . 1 1 143 143 LEU N N 15 123.961 0.2 . 1 . . . . 143 LEU N . 18942 1 1582 . 1 1 144 144 GLY H H 1 8.581 0.02 . 1 . . . . 144 GLY H . 18942 1 1583 . 1 1 144 144 GLY HA2 H 1 4.139 0.02 . 2 . . . . 144 GLY HA2 . 18942 1 1584 . 1 1 144 144 GLY HA3 H 1 4.139 0.02 . 2 . . . . 144 GLY HA3 . 18942 1 1585 . 1 1 144 144 GLY CA C 13 46.239 0.2 . 1 . . . . 144 GLY CA . 18942 1 1586 . 1 1 144 144 GLY N N 15 109.913 0.2 . 1 . . . . 144 GLY N . 18942 1 1587 . 1 1 145 145 SER H H 1 8.589 0.02 . 1 . . . . 145 SER H . 18942 1 1588 . 1 1 145 145 SER HB3 H 1 4.054 0.02 . 2 . . . . 145 SER HB3 . 18942 1 1589 . 1 1 145 145 SER CA C 13 58.614 0.2 . 1 . . . . 145 SER CA . 18942 1 1590 . 1 1 145 145 SER CB C 13 63.966 0.2 . 1 . . . . 145 SER CB . 18942 1 1591 . 1 1 145 145 SER N N 15 115.873 0.2 . 1 . . . . 145 SER N . 18942 1 1592 . 1 1 146 146 TYR H H 1 7.476 0.02 . 1 . . . . 146 TYR H . 18942 1 1593 . 1 1 146 146 TYR HA H 1 4.564 0.02 . 1 . . . . 146 TYR HA . 18942 1 1594 . 1 1 146 146 TYR HB2 H 1 3.019 0.02 . 2 . . . . 146 TYR HB2 . 18942 1 1595 . 1 1 146 146 TYR HB3 H 1 3.019 0.02 . 2 . . . . 146 TYR HB3 . 18942 1 1596 . 1 1 146 146 TYR HD1 H 1 7.089 0.02 . 3 . . . . 146 TYR HD1 . 18942 1 1597 . 1 1 146 146 TYR HD2 H 1 7.089 0.02 . 3 . . . . 146 TYR HD2 . 18942 1 1598 . 1 1 146 146 TYR HE1 H 1 6.78 0.02 . 3 . . . . 146 TYR HE1 . 18942 1 1599 . 1 1 146 146 TYR HE2 H 1 6.78 0.02 . 3 . . . . 146 TYR HE2 . 18942 1 1600 . 1 1 146 146 TYR CA C 13 56.684 0.2 . 1 . . . . 146 TYR CA . 18942 1 1601 . 1 1 146 146 TYR CB C 13 39.174 0.2 . 1 . . . . 146 TYR CB . 18942 1 1602 . 1 1 146 146 TYR CD1 C 13 133.99 0.2 . 3 . . . . 146 TYR CD1 . 18942 1 1603 . 1 1 146 146 TYR CE1 C 13 118.43 0.2 . 3 . . . . 146 TYR CE1 . 18942 1 1604 . 1 1 146 146 TYR N N 15 118.169 0.2 . 1 . . . . 146 TYR N . 18942 1 1605 . 1 1 147 147 ASN HA H 1 4.512 0.02 . 1 . . . . 147 ASN HA . 18942 1 1606 . 1 1 147 147 ASN HB2 H 1 2.673 0.02 . 2 . . . . 147 ASN HB2 . 18942 1 1607 . 1 1 147 147 ASN HB3 H 1 2.834 0.02 . 2 . . . . 147 ASN HB3 . 18942 1 1608 . 1 1 147 147 ASN HD21 H 1 6.946 0.02 . 2 . . . . 147 ASN HD21 . 18942 1 1609 . 1 1 147 147 ASN HD22 H 1 7.698 0.02 . 2 . . . . 147 ASN HD22 . 18942 1 1610 . 1 1 147 147 ASN CA C 13 53.886 0.2 . 1 . . . . 147 ASN CA . 18942 1 1611 . 1 1 147 147 ASN CB C 13 38.657 0.2 . 1 . . . . 147 ASN CB . 18942 1 1612 . 1 1 147 147 ASN ND2 N 15 112.951 0.2 . 1 . . . . 147 ASN ND2 . 18942 1 1613 . 1 1 148 148 ARG H H 1 8.404 0.02 . 1 . . . . 148 ARG H . 18942 1 1614 . 1 1 148 148 ARG HA H 1 4.307 0.02 . 1 . . . . 148 ARG HA . 18942 1 1615 . 1 1 148 148 ARG HB2 H 1 1.935 0.02 . 2 . . . . 148 ARG HB2 . 18942 1 1616 . 1 1 148 148 ARG HB3 H 1 1.572 0.02 . 2 . . . . 148 ARG HB3 . 18942 1 1617 . 1 1 148 148 ARG HG2 H 1 1.548 0.02 . 2 . . . . 148 ARG HG2 . 18942 1 1618 . 1 1 148 148 ARG HG3 H 1 1.377 0.02 . 2 . . . . 148 ARG HG3 . 18942 1 1619 . 1 1 148 148 ARG CA C 13 55.535 0.2 . 1 . . . . 148 ARG CA . 18942 1 1620 . 1 1 148 148 ARG CB C 13 30.764 0.2 . 1 . . . . 148 ARG CB . 18942 1 1621 . 1 1 148 148 ARG CG C 13 25.486 0.2 . 1 . . . . 148 ARG CG . 18942 1 1622 . 1 1 148 148 ARG CD C 13 42.349 0.2 . 1 . . . . 148 ARG CD . 18942 1 1623 . 1 1 148 148 ARG N N 15 124.208 0.2 . 1 . . . . 148 ARG N . 18942 1 1624 . 1 1 149 149 GLY H H 1 8.224 0.02 . 1 . . . . 149 GLY H . 18942 1 1625 . 1 1 149 149 GLY HA2 H 1 3.98 0.02 . 2 . . . . 149 GLY HA2 . 18942 1 1626 . 1 1 149 149 GLY HA3 H 1 3.718 0.02 . 2 . . . . 149 GLY HA3 . 18942 1 1627 . 1 1 149 149 GLY CA C 13 45.929 0.2 . 1 . . . . 149 GLY CA . 18942 1 1628 . 1 1 149 149 GLY N N 15 108.259 0.2 . 1 . . . . 149 GLY N . 18942 1 1629 . 1 1 150 150 ASN H H 1 8.309 0.02 . 1 . . . . 150 ASN H . 18942 1 1630 . 1 1 150 150 ASN HA H 1 4.64 0.02 . 1 . . . . 150 ASN HA . 18942 1 1631 . 1 1 150 150 ASN HB2 H 1 2.695 0.02 . 2 . . . . 150 ASN HB2 . 18942 1 1632 . 1 1 150 150 ASN HB3 H 1 2.81 0.02 . 2 . . . . 150 ASN HB3 . 18942 1 1633 . 1 1 150 150 ASN C C 13 175.341 0.2 . 1 . . . . 150 ASN C . 18942 1 1634 . 1 1 150 150 ASN CA C 13 53.387 0.2 . 1 . . . . 150 ASN CA . 18942 1 1635 . 1 1 150 150 ASN CB C 13 38.706 0.2 . 1 . . . . 150 ASN CB . 18942 1 1636 . 1 1 150 150 ASN N N 15 120.01 0.2 . 1 . . . . 150 ASN N . 18942 1 1637 . 1 1 151 151 LEU H H 1 7.929 0.02 . 1 . . . . 151 LEU H . 18942 1 1638 . 1 1 151 151 LEU HA H 1 4.247 0.02 . 1 . . . . 151 LEU HA . 18942 1 1639 . 1 1 151 151 LEU HB2 H 1 1.629 0.02 . 2 . . . . 151 LEU HB2 . 18942 1 1640 . 1 1 151 151 LEU HB3 H 1 1.516 0.02 . 2 . . . . 151 LEU HB3 . 18942 1 1641 . 1 1 151 151 LEU HG H 1 1.588 0.02 . 1 . . . . 151 LEU HG . 18942 1 1642 . 1 1 151 151 LEU HD11 H 1 0.828 0.02 . 2 . . . . 151 LEU HD11 . 18942 1 1643 . 1 1 151 151 LEU HD12 H 1 0.828 0.02 . 2 . . . . 151 LEU HD12 . 18942 1 1644 . 1 1 151 151 LEU HD13 H 1 0.828 0.02 . 2 . . . . 151 LEU HD13 . 18942 1 1645 . 1 1 151 151 LEU HD21 H 1 0.828 0.02 . 2 . . . . 151 LEU HD21 . 18942 1 1646 . 1 1 151 151 LEU HD22 H 1 0.828 0.02 . 2 . . . . 151 LEU HD22 . 18942 1 1647 . 1 1 151 151 LEU HD23 H 1 0.828 0.02 . 2 . . . . 151 LEU HD23 . 18942 1 1648 . 1 1 151 151 LEU C C 13 177.527 0.2 . 1 . . . . 151 LEU C . 18942 1 1649 . 1 1 151 151 LEU CA C 13 55.737 0.2 . 1 . . . . 151 LEU CA . 18942 1 1650 . 1 1 151 151 LEU CB C 13 42.673 0.2 . 1 . . . . 151 LEU CB . 18942 1 1651 . 1 1 151 151 LEU CG C 13 27.114 0.2 . 1 . . . . 151 LEU CG . 18942 1 1652 . 1 1 151 151 LEU CD1 C 13 23.965 0.2 . 2 . . . . 151 LEU CD1 . 18942 1 1653 . 1 1 151 151 LEU CD2 C 13 23.965 0.2 . 2 . . . . 151 LEU CD2 . 18942 1 1654 . 1 1 151 151 LEU N N 15 122.097 0.2 . 1 . . . . 151 LEU N . 18942 1 1655 . 1 1 152 152 SER H H 1 8.185 0.02 . 1 . . . . 152 SER H . 18942 1 1656 . 1 1 152 152 SER HA H 1 4.43 0.02 . 1 . . . . 152 SER HA . 18942 1 1657 . 1 1 152 152 SER HB2 H 1 3.66 0.02 . 2 . . . . 152 SER HB2 . 18942 1 1658 . 1 1 152 152 SER HB3 H 1 3.753 0.02 . 2 . . . . 152 SER HB3 . 18942 1 1659 . 1 1 152 152 SER C C 13 175.354 0.2 . 1 . . . . 152 SER C . 18942 1 1660 . 1 1 152 152 SER CA C 13 57.739 0.2 . 1 . . . . 152 SER CA . 18942 1 1661 . 1 1 152 152 SER CB C 13 63.247 0.2 . 1 . . . . 152 SER CB . 18942 1 1662 . 1 1 152 152 SER N N 15 116.245 0.2 . 1 . . . . 152 SER N . 18942 1 1663 . 1 1 153 153 THR H H 1 8.134 0.02 . 1 . . . . 153 THR H . 18942 1 1664 . 1 1 153 153 THR HA H 1 3.886 0.02 . 1 . . . . 153 THR HA . 18942 1 1665 . 1 1 153 153 THR HB H 1 4.352 0.02 . 1 . . . . 153 THR HB . 18942 1 1666 . 1 1 153 153 THR HG21 H 1 1.186 0.02 . 1 . . . . 153 THR HG21 . 18942 1 1667 . 1 1 153 153 THR HG22 H 1 1.186 0.02 . 1 . . . . 153 THR HG22 . 18942 1 1668 . 1 1 153 153 THR HG23 H 1 1.186 0.02 . 1 . . . . 153 THR HG23 . 18942 1 1669 . 1 1 153 153 THR C C 13 175.758 0.2 . 1 . . . . 153 THR C . 18942 1 1670 . 1 1 153 153 THR CA C 13 63.577 0.2 . 1 . . . . 153 THR CA . 18942 1 1671 . 1 1 153 153 THR CB C 13 69.28 0.2 . 1 . . . . 153 THR CB . 18942 1 1672 . 1 1 153 153 THR CG2 C 13 22.115 0.2 . 1 . . . . 153 THR CG2 . 18942 1 1673 . 1 1 153 153 THR N N 15 116.207 0.2 . 1 . . . . 153 THR N . 18942 1 1674 . 1 1 154 154 GLU H H 1 8.342 0.02 . 1 . . . . 154 GLU H . 18942 1 1675 . 1 1 154 154 GLU HA H 1 3.88 0.02 . 1 . . . . 154 GLU HA . 18942 1 1676 . 1 1 154 154 GLU HB2 H 1 1.882 0.02 . 2 . . . . 154 GLU HB2 . 18942 1 1677 . 1 1 154 154 GLU HB3 H 1 1.882 0.02 . 2 . . . . 154 GLU HB3 . 18942 1 1678 . 1 1 154 154 GLU HG2 H 1 2.161 0.02 . 2 . . . . 154 GLU HG2 . 18942 1 1679 . 1 1 154 154 GLU HG3 H 1 2.208 0.02 . 2 . . . . 154 GLU HG3 . 18942 1 1680 . 1 1 154 154 GLU C C 13 178.589 0.2 . 1 . . . . 154 GLU C . 18942 1 1681 . 1 1 154 154 GLU CA C 13 59.978 0.2 . 1 . . . . 154 GLU CA . 18942 1 1682 . 1 1 154 154 GLU CB C 13 29.348 0.2 . 1 . . . . 154 GLU CB . 18942 1 1683 . 1 1 154 154 GLU CG C 13 36.596 0.2 . 1 . . . . 154 GLU CG . 18942 1 1684 . 1 1 154 154 GLU N N 15 122.421 0.2 . 1 . . . . 154 GLU N . 18942 1 1685 . 1 1 155 155 LYS H H 1 7.752 0.02 . 1 . . . . 155 LYS H . 18942 1 1686 . 1 1 155 155 LYS HA H 1 3.934 0.02 . 1 . . . . 155 LYS HA . 18942 1 1687 . 1 1 155 155 LYS HB2 H 1 1.547 0.02 . 2 . . . . 155 LYS HB2 . 18942 1 1688 . 1 1 155 155 LYS HB3 H 1 1.644 0.02 . 2 . . . . 155 LYS HB3 . 18942 1 1689 . 1 1 155 155 LYS HG2 H 1 1.178 0.02 . 2 . . . . 155 LYS HG2 . 18942 1 1690 . 1 1 155 155 LYS HG3 H 1 1.244 0.02 . 2 . . . . 155 LYS HG3 . 18942 1 1691 . 1 1 155 155 LYS C C 13 179.039 0.2 . 1 . . . . 155 LYS C . 18942 1 1692 . 1 1 155 155 LYS CA C 13 58.776 0.2 . 1 . . . . 155 LYS CA . 18942 1 1693 . 1 1 155 155 LYS CB C 13 31.843 0.2 . 1 . . . . 155 LYS CB . 18942 1 1694 . 1 1 155 155 LYS CG C 13 24.774 0.2 . 1 . . . . 155 LYS CG . 18942 1 1695 . 1 1 155 155 LYS N N 15 118.393 0.2 . 1 . . . . 155 LYS N . 18942 1 1696 . 1 1 156 156 PHE H H 1 7.072 0.02 . 1 . . . . 156 PHE H . 18942 1 1697 . 1 1 156 156 PHE HA H 1 4.846 0.02 . 1 . . . . 156 PHE HA . 18942 1 1698 . 1 1 156 156 PHE HB2 H 1 3.121 0.02 . 2 . . . . 156 PHE HB2 . 18942 1 1699 . 1 1 156 156 PHE HB3 H 1 3.879 0.02 . 2 . . . . 156 PHE HB3 . 18942 1 1700 . 1 1 156 156 PHE HD1 H 1 7.079 0.02 . 3 . . . . 156 PHE HD1 . 18942 1 1701 . 1 1 156 156 PHE HD2 H 1 7.079 0.02 . 3 . . . . 156 PHE HD2 . 18942 1 1702 . 1 1 156 156 PHE C C 13 178.765 0.2 . 1 . . . . 156 PHE C . 18942 1 1703 . 1 1 156 156 PHE CA C 13 57.339 0.2 . 1 . . . . 156 PHE CA . 18942 1 1704 . 1 1 156 156 PHE CB C 13 37.037 0.2 . 1 . . . . 156 PHE CB . 18942 1 1705 . 1 1 156 156 PHE CD1 C 13 130.914 0.2 . 3 . . . . 156 PHE CD1 . 18942 1 1706 . 1 1 156 156 PHE CD2 C 13 130.91 0.2 . 3 . . . . 156 PHE CD2 . 18942 1 1707 . 1 1 156 156 PHE N N 15 121.174 0.2 . 1 . . . . 156 PHE N . 18942 1 1708 . 1 1 157 157 VAL H H 1 8.007 0.02 . 1 . . . . 157 VAL H . 18942 1 1709 . 1 1 157 157 VAL HA H 1 3.405 0.02 . 1 . . . . 157 VAL HA . 18942 1 1710 . 1 1 157 157 VAL HB H 1 2.046 0.02 . 1 . . . . 157 VAL HB . 18942 1 1711 . 1 1 157 157 VAL HG11 H 1 0.841 0.02 . 2 . . . . 157 VAL HG11 . 18942 1 1712 . 1 1 157 157 VAL HG12 H 1 0.841 0.02 . 2 . . . . 157 VAL HG12 . 18942 1 1713 . 1 1 157 157 VAL HG13 H 1 0.841 0.02 . 2 . . . . 157 VAL HG13 . 18942 1 1714 . 1 1 157 157 VAL HG21 H 1 1.056 0.02 . 2 . . . . 157 VAL HG21 . 18942 1 1715 . 1 1 157 157 VAL HG22 H 1 1.056 0.02 . 2 . . . . 157 VAL HG22 . 18942 1 1716 . 1 1 157 157 VAL HG23 H 1 1.056 0.02 . 2 . . . . 157 VAL HG23 . 18942 1 1717 . 1 1 157 157 VAL C C 13 177.861 0.2 . 1 . . . . 157 VAL C . 18942 1 1718 . 1 1 157 157 VAL CA C 13 67.455 0.2 . 1 . . . . 157 VAL CA . 18942 1 1719 . 1 1 157 157 VAL CB C 13 31.863 0.2 . 1 . . . . 157 VAL CB . 18942 1 1720 . 1 1 157 157 VAL CG1 C 13 21.655 0.2 . 2 . . . . 157 VAL CG1 . 18942 1 1721 . 1 1 157 157 VAL CG2 C 13 24.045 0.2 . 2 . . . . 157 VAL CG2 . 18942 1 1722 . 1 1 157 157 VAL N N 15 119.188 0.2 . 1 . . . . 157 VAL N . 18942 1 1723 . 1 1 158 158 GLU H H 1 7.875 0.02 . 1 . . . . 158 GLU H . 18942 1 1724 . 1 1 158 158 GLU HA H 1 3.677 0.02 . 1 . . . . 158 GLU HA . 18942 1 1725 . 1 1 158 158 GLU HB2 H 1 1.974 0.02 . 2 . . . . 158 GLU HB2 . 18942 1 1726 . 1 1 158 158 GLU HB3 H 1 1.974 0.02 . 2 . . . . 158 GLU HB3 . 18942 1 1727 . 1 1 158 158 GLU HG2 H 1 2.156 0.02 . 2 . . . . 158 GLU HG2 . 18942 1 1728 . 1 1 158 158 GLU HG3 H 1 2.247 0.02 . 2 . . . . 158 GLU HG3 . 18942 1 1729 . 1 1 158 158 GLU C C 13 179.377 0.2 . 1 . . . . 158 GLU C . 18942 1 1730 . 1 1 158 158 GLU CA C 13 59.491 0.2 . 1 . . . . 158 GLU CA . 18942 1 1731 . 1 1 158 158 GLU CB C 13 29.346 0.2 . 1 . . . . 158 GLU CB . 18942 1 1732 . 1 1 158 158 GLU CG C 13 36.404 0.2 . 1 . . . . 158 GLU CG . 18942 1 1733 . 1 1 158 158 GLU N N 15 118.02 0.2 . 1 . . . . 158 GLU N . 18942 1 1734 . 1 1 159 159 GLU H H 1 7.746 0.02 . 1 . . . . 159 GLU H . 18942 1 1735 . 1 1 159 159 GLU HA H 1 3.9 0.02 . 1 . . . . 159 GLU HA . 18942 1 1736 . 1 1 159 159 GLU HB2 H 1 1.969 0.02 . 2 . . . . 159 GLU HB2 . 18942 1 1737 . 1 1 159 159 GLU HB3 H 1 1.882 0.02 . 2 . . . . 159 GLU HB3 . 18942 1 1738 . 1 1 159 159 GLU HG2 H 1 2.162 0.02 . 2 . . . . 159 GLU HG2 . 18942 1 1739 . 1 1 159 159 GLU HG3 H 1 2.202 0.02 . 2 . . . . 159 GLU HG3 . 18942 1 1740 . 1 1 159 159 GLU C C 13 179.622 0.2 . 1 . . . . 159 GLU C . 18942 1 1741 . 1 1 159 159 GLU CA C 13 60.351 0.2 . 1 . . . . 159 GLU CA . 18942 1 1742 . 1 1 159 159 GLU CB C 13 29.359 0.2 . 1 . . . . 159 GLU CB . 18942 1 1743 . 1 1 159 159 GLU CG C 13 36.547 0.2 . 1 . . . . 159 GLU CG . 18942 1 1744 . 1 1 159 159 GLU N N 15 120.879 0.2 . 1 . . . . 159 GLU N . 18942 1 1745 . 1 1 160 160 ILE H H 1 8.094 0.02 . 1 . . . . 160 ILE H . 18942 1 1746 . 1 1 160 160 ILE HA H 1 3.366 0.02 . 1 . . . . 160 ILE HA . 18942 1 1747 . 1 1 160 160 ILE HB H 1 1.777 0.02 . 1 . . . . 160 ILE HB . 18942 1 1748 . 1 1 160 160 ILE HG12 H 1 1.394 0.02 . 2 . . . . 160 ILE HG12 . 18942 1 1749 . 1 1 160 160 ILE HG13 H 1 1.565 0.02 . 2 . . . . 160 ILE HG13 . 18942 1 1750 . 1 1 160 160 ILE HG21 H 1 0.978 0.02 . 1 . . . . 160 ILE HG21 . 18942 1 1751 . 1 1 160 160 ILE HG22 H 1 0.978 0.02 . 1 . . . . 160 ILE HG22 . 18942 1 1752 . 1 1 160 160 ILE HG23 H 1 0.978 0.02 . 1 . . . . 160 ILE HG23 . 18942 1 1753 . 1 1 160 160 ILE HD11 H 1 0.761 0.02 . 1 . . . . 160 ILE HD11 . 18942 1 1754 . 1 1 160 160 ILE HD12 H 1 0.761 0.02 . 1 . . . . 160 ILE HD12 . 18942 1 1755 . 1 1 160 160 ILE HD13 H 1 0.761 0.02 . 1 . . . . 160 ILE HD13 . 18942 1 1756 . 1 1 160 160 ILE C C 13 180.262 0.2 . 1 . . . . 160 ILE C . 18942 1 1757 . 1 1 160 160 ILE CA C 13 66.305 0.2 . 1 . . . . 160 ILE CA . 18942 1 1758 . 1 1 160 160 ILE CB C 13 39.319 0.2 . 1 . . . . 160 ILE CB . 18942 1 1759 . 1 1 160 160 ILE CG1 C 13 25.759 0.2 . 1 . . . . 160 ILE CG1 . 18942 1 1760 . 1 1 160 160 ILE CG2 C 13 18.689 0.2 . 1 . . . . 160 ILE CG2 . 18942 1 1761 . 1 1 160 160 ILE CD1 C 13 14.967 0.2 . 1 . . . . 160 ILE CD1 . 18942 1 1762 . 1 1 160 160 ILE N N 15 120.45 0.2 . 1 . . . . 160 ILE N . 18942 1 1763 . 1 1 161 161 LYS H H 1 8.5 0.02 . 1 . . . . 161 LYS H . 18942 1 1764 . 1 1 161 161 LYS HA H 1 3.09 0.02 . 1 . . . . 161 LYS HA . 18942 1 1765 . 1 1 161 161 LYS HB2 H 1 1.304 0.02 . 2 . . . . 161 LYS HB2 . 18942 1 1766 . 1 1 161 161 LYS HB3 H 1 1.092 0.02 . 2 . . . . 161 LYS HB3 . 18942 1 1767 . 1 1 161 161 LYS HG2 H 1 0.506 0.02 . 2 . . . . 161 LYS HG2 . 18942 1 1768 . 1 1 161 161 LYS HG3 H 1 0.188 0.02 . 2 . . . . 161 LYS HG3 . 18942 1 1769 . 1 1 161 161 LYS HD2 H 1 1.194 0.02 . 2 . . . . 161 LYS HD2 . 18942 1 1770 . 1 1 161 161 LYS HD3 H 1 1.194 0.02 . 2 . . . . 161 LYS HD3 . 18942 1 1771 . 1 1 161 161 LYS HE2 H 1 2.335 0.02 . 2 . . . . 161 LYS HE2 . 18942 1 1772 . 1 1 161 161 LYS HE3 H 1 2.49 0.02 . 2 . . . . 161 LYS HE3 . 18942 1 1773 . 1 1 161 161 LYS C C 13 178.518 0.2 . 1 . . . . 161 LYS C . 18942 1 1774 . 1 1 161 161 LYS CA C 13 60.656 0.2 . 1 . . . . 161 LYS CA . 18942 1 1775 . 1 1 161 161 LYS CB C 13 32.601 0.2 . 1 . . . . 161 LYS CB . 18942 1 1776 . 1 1 161 161 LYS CG C 13 25.082 0.2 . 1 . . . . 161 LYS CG . 18942 1 1777 . 1 1 161 161 LYS CD C 13 29.809 0.2 . 1 . . . . 161 LYS CD . 18942 1 1778 . 1 1 161 161 LYS CE C 13 42 0.2 . 1 . . . . 161 LYS CE . 18942 1 1779 . 1 1 161 161 LYS N N 15 122.357 0.2 . 1 . . . . 161 LYS N . 18942 1 1780 . 1 1 162 162 SER H H 1 7.653 0.02 . 1 . . . . 162 SER H . 18942 1 1781 . 1 1 162 162 SER HA H 1 4.087 0.02 . 1 . . . . 162 SER HA . 18942 1 1782 . 1 1 162 162 SER HB2 H 1 3.807 0.02 . 2 . . . . 162 SER HB2 . 18942 1 1783 . 1 1 162 162 SER HB3 H 1 3.932 0.02 . 2 . . . . 162 SER HB3 . 18942 1 1784 . 1 1 162 162 SER C C 13 174.773 0.2 . 1 . . . . 162 SER C . 18942 1 1785 . 1 1 162 162 SER CA C 13 61.208 0.2 . 1 . . . . 162 SER CA . 18942 1 1786 . 1 1 162 162 SER CB C 13 62.725 0.2 . 1 . . . . 162 SER CB . 18942 1 1787 . 1 1 162 162 SER N N 15 114.3 0.2 . 1 . . . . 162 SER N . 18942 1 1788 . 1 1 163 163 ILE H H 1 7.068 0.02 . 1 . . . . 163 ILE H . 18942 1 1789 . 1 1 163 163 ILE HA H 1 3.56 0.02 . 1 . . . . 163 ILE HA . 18942 1 1790 . 1 1 163 163 ILE HB H 1 1.864 0.02 . 1 . . . . 163 ILE HB . 18942 1 1791 . 1 1 163 163 ILE HG21 H 1 0.79 0.02 . 1 . . . . 163 ILE HG21 . 18942 1 1792 . 1 1 163 163 ILE HG22 H 1 0.79 0.02 . 1 . . . . 163 ILE HG22 . 18942 1 1793 . 1 1 163 163 ILE HG23 H 1 0.79 0.02 . 1 . . . . 163 ILE HG23 . 18942 1 1794 . 1 1 163 163 ILE HD11 H 1 0.771 0.02 . 1 . . . . 163 ILE HD11 . 18942 1 1795 . 1 1 163 163 ILE HD12 H 1 0.771 0.02 . 1 . . . . 163 ILE HD12 . 18942 1 1796 . 1 1 163 163 ILE HD13 H 1 0.771 0.02 . 1 . . . . 163 ILE HD13 . 18942 1 1797 . 1 1 163 163 ILE C C 13 175.371 0.2 . 1 . . . . 163 ILE C . 18942 1 1798 . 1 1 163 163 ILE CA C 13 62.854 0.2 . 1 . . . . 163 ILE CA . 18942 1 1799 . 1 1 163 163 ILE CB C 13 39.637 0.2 . 1 . . . . 163 ILE CB . 18942 1 1800 . 1 1 163 163 ILE CG2 C 13 18.939 0.2 . 1 . . . . 163 ILE CG2 . 18942 1 1801 . 1 1 163 163 ILE CD1 C 13 14.384 0.2 . 1 . . . . 163 ILE CD1 . 18942 1 1802 . 1 1 163 163 ILE N N 15 122.035 0.2 . 1 . . . . 163 ILE N . 18942 1 1803 . 1 1 164 164 ALA H H 1 6.801 0.02 . 1 . . . . 164 ALA H . 18942 1 1804 . 1 1 164 164 ALA HA H 1 3.729 0.02 . 1 . . . . 164 ALA HA . 18942 1 1805 . 1 1 164 164 ALA HB1 H 1 1.589 0.02 . 1 . . . . 164 ALA HB1 . 18942 1 1806 . 1 1 164 164 ALA HB2 H 1 1.589 0.02 . 1 . . . . 164 ALA HB2 . 18942 1 1807 . 1 1 164 164 ALA HB3 H 1 1.589 0.02 . 1 . . . . 164 ALA HB3 . 18942 1 1808 . 1 1 164 164 ALA C C 13 178.713 0.2 . 1 . . . . 164 ALA C . 18942 1 1809 . 1 1 164 164 ALA CA C 13 52.553 0.2 . 1 . . . . 164 ALA CA . 18942 1 1810 . 1 1 164 164 ALA CB C 13 19.82 0.2 . 1 . . . . 164 ALA CB . 18942 1 1811 . 1 1 164 164 ALA N N 15 121.252 0.2 . 1 . . . . 164 ALA N . 18942 1 1812 . 1 1 165 165 SER H H 1 8.656 0.02 . 1 . . . . 165 SER H . 18942 1 1813 . 1 1 165 165 SER HA H 1 3.891 0.02 . 1 . . . . 165 SER HA . 18942 1 1814 . 1 1 165 165 SER HB2 H 1 1.993 0.02 . 2 . . . . 165 SER HB2 . 18942 1 1815 . 1 1 165 165 SER HB3 H 1 3.276 0.02 . 2 . . . . 165 SER HB3 . 18942 1 1816 . 1 1 165 165 SER C C 13 171.079 0.2 . 1 . . . . 165 SER C . 18942 1 1817 . 1 1 165 165 SER CA C 13 61.464 0.2 . 1 . . . . 165 SER CA . 18942 1 1818 . 1 1 165 165 SER CB C 13 61.858 0.2 . 1 . . . . 165 SER CB . 18942 1 1819 . 1 1 165 165 SER N N 15 121.879 0.2 . 1 . . . . 165 SER N . 18942 1 1820 . 1 1 166 166 GLU H H 1 7.949 0.02 . 1 . . . . 166 GLU H . 18942 1 1821 . 1 1 166 166 GLU HA H 1 4.309 0.02 . 1 . . . . 166 GLU HA . 18942 1 1822 . 1 1 166 166 GLU HB2 H 1 1.855 0.02 . 2 . . . . 166 GLU HB2 . 18942 1 1823 . 1 1 166 166 GLU HB3 H 1 1.688 0.02 . 2 . . . . 166 GLU HB3 . 18942 1 1824 . 1 1 166 166 GLU HG2 H 1 2.201 0.02 . 2 . . . . 166 GLU HG2 . 18942 1 1825 . 1 1 166 166 GLU HG3 H 1 2.09 0.02 . 2 . . . . 166 GLU HG3 . 18942 1 1826 . 1 1 166 166 GLU CA C 13 54.147 0.2 . 1 . . . . 166 GLU CA . 18942 1 1827 . 1 1 166 166 GLU CB C 13 30.057 0.2 . 1 . . . . 166 GLU CB . 18942 1 1828 . 1 1 166 166 GLU CG C 13 36.463 0.2 . 1 . . . . 166 GLU CG . 18942 1 1829 . 1 1 166 166 GLU N N 15 117.348 0.2 . 1 . . . . 166 GLU N . 18942 1 1830 . 1 1 167 167 PRO HA H 1 4.941 0.02 . 1 . . . . 167 PRO HA . 18942 1 1831 . 1 1 167 167 PRO HB2 H 1 2.515 0.02 . 2 . . . . 167 PRO HB2 . 18942 1 1832 . 1 1 167 167 PRO HB3 H 1 2.156 0.02 . 2 . . . . 167 PRO HB3 . 18942 1 1833 . 1 1 167 167 PRO HG2 H 1 1.933 0.02 . 2 . . . . 167 PRO HG2 . 18942 1 1834 . 1 1 167 167 PRO HG3 H 1 2.014 0.02 . 2 . . . . 167 PRO HG3 . 18942 1 1835 . 1 1 167 167 PRO HD2 H 1 3.68 0.02 . 2 . . . . 167 PRO HD2 . 18942 1 1836 . 1 1 167 167 PRO HD3 H 1 3.53 0.02 . 2 . . . . 167 PRO HD3 . 18942 1 1837 . 1 1 167 167 PRO CA C 13 61.784 0.2 . 1 . . . . 167 PRO CA . 18942 1 1838 . 1 1 167 167 PRO CB C 13 34.469 0.2 . 1 . . . . 167 PRO CB . 18942 1 1839 . 1 1 167 167 PRO CG C 13 25.838 0.2 . 1 . . . . 167 PRO CG . 18942 1 1840 . 1 1 167 167 PRO CD C 13 51.05 0.2 . 1 . . . . 167 PRO CD . 18942 1 1841 . 1 1 168 168 THR HA H 1 3.975 0.02 . 1 . . . . 168 THR HA . 18942 1 1842 . 1 1 168 168 THR HB H 1 3.919 0.02 . 1 . . . . 168 THR HB . 18942 1 1843 . 1 1 168 168 THR HG21 H 1 1.13 0.02 . 1 . . . . 168 THR HG21 . 18942 1 1844 . 1 1 168 168 THR HG22 H 1 1.13 0.02 . 1 . . . . 168 THR HG22 . 18942 1 1845 . 1 1 168 168 THR HG23 H 1 1.13 0.02 . 1 . . . . 168 THR HG23 . 18942 1 1846 . 1 1 168 168 THR C C 13 176.433 0.2 . 1 . . . . 168 THR C . 18942 1 1847 . 1 1 168 168 THR CA C 13 67.606 0.2 . 1 . . . . 168 THR CA . 18942 1 1848 . 1 1 168 168 THR CB C 13 69.086 0.2 . 1 . . . . 168 THR CB . 18942 1 1849 . 1 1 168 168 THR CG2 C 13 22.633 0.2 . 1 . . . . 168 THR CG2 . 18942 1 1850 . 1 1 169 169 GLU H H 1 9.598 0.02 . 1 . . . . 169 GLU H . 18942 1 1851 . 1 1 169 169 GLU HA H 1 4.227 0.02 . 1 . . . . 169 GLU HA . 18942 1 1852 . 1 1 169 169 GLU HB2 H 1 2.011 0.02 . 2 . . . . 169 GLU HB2 . 18942 1 1853 . 1 1 169 169 GLU HB3 H 1 2.011 0.02 . 2 . . . . 169 GLU HB3 . 18942 1 1854 . 1 1 169 169 GLU HG2 H 1 2.273 0.02 . 2 . . . . 169 GLU HG2 . 18942 1 1855 . 1 1 169 169 GLU HG3 H 1 2.196 0.02 . 2 . . . . 169 GLU HG3 . 18942 1 1856 . 1 1 169 169 GLU C C 13 177.434 0.2 . 1 . . . . 169 GLU C . 18942 1 1857 . 1 1 169 169 GLU CA C 13 58.949 0.2 . 1 . . . . 169 GLU CA . 18942 1 1858 . 1 1 169 169 GLU CB C 13 28.571 0.2 . 1 . . . . 169 GLU CB . 18942 1 1859 . 1 1 169 169 GLU CG C 13 36.545 0.2 . 1 . . . . 169 GLU CG . 18942 1 1860 . 1 1 169 169 GLU N N 15 119.036 0.2 . 1 . . . . 169 GLU N . 18942 1 1861 . 1 1 170 170 LYS H H 1 7.3 0.02 . 1 . . . . 170 LYS H . 18942 1 1862 . 1 1 170 170 LYS HA H 1 4.322 0.02 . 1 . . . . 170 LYS HA . 18942 1 1863 . 1 1 170 170 LYS HB2 H 1 1.88 0.02 . 2 . . . . 170 LYS HB2 . 18942 1 1864 . 1 1 170 170 LYS HB3 H 1 1.263 0.02 . 2 . . . . 170 LYS HB3 . 18942 1 1865 . 1 1 170 170 LYS HG2 H 1 1.213 0.02 . 2 . . . . 170 LYS HG2 . 18942 1 1866 . 1 1 170 170 LYS HG3 H 1 1.325 0.02 . 2 . . . . 170 LYS HG3 . 18942 1 1867 . 1 1 170 170 LYS C C 13 173.967 0.2 . 1 . . . . 170 LYS C . 18942 1 1868 . 1 1 170 170 LYS CA C 13 56.221 0.2 . 1 . . . . 170 LYS CA . 18942 1 1869 . 1 1 170 170 LYS CB C 13 33.814 0.2 . 1 . . . . 170 LYS CB . 18942 1 1870 . 1 1 170 170 LYS CG C 13 26.304 0.2 . 1 . . . . 170 LYS CG . 18942 1 1871 . 1 1 170 170 LYS N N 15 115.885 0.2 . 1 . . . . 170 LYS N . 18942 1 1872 . 1 1 171 171 HIS H H 1 7.198 0.02 . 1 . . . . 171 HIS H . 18942 1 1873 . 1 1 171 171 HIS HA H 1 5.063 0.02 . 1 . . . . 171 HIS HA . 18942 1 1874 . 1 1 171 171 HIS HB2 H 1 3.929 0.02 . 2 . . . . 171 HIS HB2 . 18942 1 1875 . 1 1 171 171 HIS HB3 H 1 2.813 0.02 . 2 . . . . 171 HIS HB3 . 18942 1 1876 . 1 1 171 171 HIS C C 13 171.86 0.2 . 1 . . . . 171 HIS C . 18942 1 1877 . 1 1 171 171 HIS CA C 13 57.84 0.2 . 1 . . . . 171 HIS CA . 18942 1 1878 . 1 1 171 171 HIS CB C 13 33.695 0.2 . 1 . . . . 171 HIS CB . 18942 1 1879 . 1 1 171 171 HIS N N 15 112.937 0.2 . 1 . . . . 171 HIS N . 18942 1 1880 . 1 1 172 172 PHE H H 1 7.342 0.02 . 1 . . . . 172 PHE H . 18942 1 1881 . 1 1 172 172 PHE HA H 1 5.876 0.02 . 1 . . . . 172 PHE HA . 18942 1 1882 . 1 1 172 172 PHE HB2 H 1 2.623 0.02 . 2 . . . . 172 PHE HB2 . 18942 1 1883 . 1 1 172 172 PHE HB3 H 1 2.729 0.02 . 2 . . . . 172 PHE HB3 . 18942 1 1884 . 1 1 172 172 PHE HD1 H 1 7.063 0.02 . 3 . . . . 172 PHE HD1 . 18942 1 1885 . 1 1 172 172 PHE HD2 H 1 7.063 0.02 . 3 . . . . 172 PHE HD2 . 18942 1 1886 . 1 1 172 172 PHE C C 13 172.383 0.2 . 1 . . . . 172 PHE C . 18942 1 1887 . 1 1 172 172 PHE CA C 13 55.21 0.2 . 1 . . . . 172 PHE CA . 18942 1 1888 . 1 1 172 172 PHE CB C 13 41.412 0.2 . 1 . . . . 172 PHE CB . 18942 1 1889 . 1 1 172 172 PHE CD1 C 13 132.41 0.2 . 3 . . . . 172 PHE CD1 . 18942 1 1890 . 1 1 172 172 PHE CD2 C 13 132.413 0.2 . 3 . . . . 172 PHE CD2 . 18942 1 1891 . 1 1 172 172 PHE N N 15 122.108 0.2 . 1 . . . . 172 PHE N . 18942 1 1892 . 1 1 173 173 PHE H H 1 8.012 0.02 . 1 . . . . 173 PHE H . 18942 1 1893 . 1 1 173 173 PHE HA H 1 4.192 0.02 . 1 . . . . 173 PHE HA . 18942 1 1894 . 1 1 173 173 PHE HB2 H 1 3.082 0.02 . 2 . . . . 173 PHE HB2 . 18942 1 1895 . 1 1 173 173 PHE HB3 H 1 2.166 0.02 . 2 . . . . 173 PHE HB3 . 18942 1 1896 . 1 1 173 173 PHE HD1 H 1 6.98 0.02 . 3 . . . . 173 PHE HD1 . 18942 1 1897 . 1 1 173 173 PHE HD2 H 1 6.98 0.02 . 3 . . . . 173 PHE HD2 . 18942 1 1898 . 1 1 173 173 PHE C C 13 173.751 0.2 . 1 . . . . 173 PHE C . 18942 1 1899 . 1 1 173 173 PHE CA C 13 55.895 0.2 . 1 . . . . 173 PHE CA . 18942 1 1900 . 1 1 173 173 PHE CB C 13 45.217 0.2 . 1 . . . . 173 PHE CB . 18942 1 1901 . 1 1 173 173 PHE CD1 C 13 132.16 0.2 . 3 . . . . 173 PHE CD1 . 18942 1 1902 . 1 1 173 173 PHE N N 15 121.775 0.2 . 1 . . . . 173 PHE N . 18942 1 1903 . 1 1 174 174 ASN H H 1 8.76 0.02 . 1 . . . . 174 ASN H . 18942 1 1904 . 1 1 174 174 ASN HA H 1 4.831 0.02 . 1 . . . . 174 ASN HA . 18942 1 1905 . 1 1 174 174 ASN HB2 H 1 2.665 0.02 . 2 . . . . 174 ASN HB2 . 18942 1 1906 . 1 1 174 174 ASN HB3 H 1 2.577 0.02 . 2 . . . . 174 ASN HB3 . 18942 1 1907 . 1 1 174 174 ASN C C 13 176.826 0.2 . 1 . . . . 174 ASN C . 18942 1 1908 . 1 1 174 174 ASN CA C 13 53.298 0.2 . 1 . . . . 174 ASN CA . 18942 1 1909 . 1 1 174 174 ASN CB C 13 40.549 0.2 . 1 . . . . 174 ASN CB . 18942 1 1910 . 1 1 174 174 ASN N N 15 119.544 0.2 . 1 . . . . 174 ASN N . 18942 1 1911 . 1 1 175 175 VAL H H 1 8.349 0.02 . 1 . . . . 175 VAL H . 18942 1 1912 . 1 1 175 175 VAL HA H 1 3.341 0.02 . 1 . . . . 175 VAL HA . 18942 1 1913 . 1 1 175 175 VAL HB H 1 1.581 0.02 . 1 . . . . 175 VAL HB . 18942 1 1914 . 1 1 175 175 VAL HG11 H 1 0.529 0.02 . 2 . . . . 175 VAL HG11 . 18942 1 1915 . 1 1 175 175 VAL HG12 H 1 0.529 0.02 . 2 . . . . 175 VAL HG12 . 18942 1 1916 . 1 1 175 175 VAL HG13 H 1 0.529 0.02 . 2 . . . . 175 VAL HG13 . 18942 1 1917 . 1 1 175 175 VAL HG21 H 1 0.761 0.02 . 2 . . . . 175 VAL HG21 . 18942 1 1918 . 1 1 175 175 VAL HG22 H 1 0.761 0.02 . 2 . . . . 175 VAL HG22 . 18942 1 1919 . 1 1 175 175 VAL HG23 H 1 0.761 0.02 . 2 . . . . 175 VAL HG23 . 18942 1 1920 . 1 1 175 175 VAL C C 13 174.743 0.2 . 1 . . . . 175 VAL C . 18942 1 1921 . 1 1 175 175 VAL CA C 13 64.542 0.2 . 1 . . . . 175 VAL CA . 18942 1 1922 . 1 1 175 175 VAL CB C 13 32.081 0.2 . 1 . . . . 175 VAL CB . 18942 1 1923 . 1 1 175 175 VAL CG1 C 13 21.789 0.2 . 2 . . . . 175 VAL CG1 . 18942 1 1924 . 1 1 175 175 VAL CG2 C 13 20.273 0.2 . 2 . . . . 175 VAL CG2 . 18942 1 1925 . 1 1 175 175 VAL N N 15 123.699 0.2 . 1 . . . . 175 VAL N . 18942 1 1926 . 1 1 176 176 SER H H 1 7.933 0.02 . 1 . . . . 176 SER H . 18942 1 1927 . 1 1 176 176 SER HA H 1 4.335 0.02 . 1 . . . . 176 SER HA . 18942 1 1928 . 1 1 176 176 SER HB2 H 1 3.931 0.02 . 2 . . . . 176 SER HB2 . 18942 1 1929 . 1 1 176 176 SER HB3 H 1 3.757 0.02 . 2 . . . . 176 SER HB3 . 18942 1 1930 . 1 1 176 176 SER C C 13 174.583 0.2 . 1 . . . . 176 SER C . 18942 1 1931 . 1 1 176 176 SER CA C 13 57.972 0.2 . 1 . . . . 176 SER CA . 18942 1 1932 . 1 1 176 176 SER CB C 13 63.722 0.2 . 1 . . . . 176 SER CB . 18942 1 1933 . 1 1 176 176 SER N N 15 112.903 0.2 . 1 . . . . 176 SER N . 18942 1 1934 . 1 1 177 177 ASP H H 1 7.696 0.02 . 1 . . . . 177 ASP H . 18942 1 1935 . 1 1 177 177 ASP HA H 1 4.518 0.02 . 1 . . . . 177 ASP HA . 18942 1 1936 . 1 1 177 177 ASP HB2 H 1 3.119 0.02 . 2 . . . . 177 ASP HB2 . 18942 1 1937 . 1 1 177 177 ASP HB3 H 1 2.781 0.02 . 2 . . . . 177 ASP HB3 . 18942 1 1938 . 1 1 177 177 ASP C C 13 178.008 0.2 . 1 . . . . 177 ASP C . 18942 1 1939 . 1 1 177 177 ASP CA C 13 54.315 0.2 . 1 . . . . 177 ASP CA . 18942 1 1940 . 1 1 177 177 ASP CB C 13 41.687 0.2 . 1 . . . . 177 ASP CB . 18942 1 1941 . 1 1 177 177 ASP N N 15 123.241 0.2 . 1 . . . . 177 ASP N . 18942 1 1942 . 1 1 178 178 GLU H H 1 9.211 0.02 . 1 . . . . 178 GLU H . 18942 1 1943 . 1 1 178 178 GLU HA H 1 4.035 0.02 . 1 . . . . 178 GLU HA . 18942 1 1944 . 1 1 178 178 GLU HB2 H 1 2.031 0.02 . 2 . . . . 178 GLU HB2 . 18942 1 1945 . 1 1 178 178 GLU HB3 H 1 2.031 0.02 . 2 . . . . 178 GLU HB3 . 18942 1 1946 . 1 1 178 178 GLU HG2 H 1 2.276 0.02 . 2 . . . . 178 GLU HG2 . 18942 1 1947 . 1 1 178 178 GLU HG3 H 1 2.276 0.02 . 2 . . . . 178 GLU HG3 . 18942 1 1948 . 1 1 178 178 GLU C C 13 177.787 0.2 . 1 . . . . 178 GLU C . 18942 1 1949 . 1 1 178 178 GLU CA C 13 59.124 0.2 . 1 . . . . 178 GLU CA . 18942 1 1950 . 1 1 178 178 GLU CB C 13 29.724 0.2 . 1 . . . . 178 GLU CB . 18942 1 1951 . 1 1 178 178 GLU CG C 13 36.28 0.2 . 1 . . . . 178 GLU CG . 18942 1 1952 . 1 1 178 178 GLU N N 15 129.53 0.2 . 1 . . . . 178 GLU N . 18942 1 1953 . 1 1 179 179 LEU H H 1 8.683 0.02 . 1 . . . . 179 LEU H . 18942 1 1954 . 1 1 179 179 LEU HA H 1 4.296 0.02 . 1 . . . . 179 LEU HA . 18942 1 1955 . 1 1 179 179 LEU HB2 H 1 1.777 0.02 . 2 . . . . 179 LEU HB2 . 18942 1 1956 . 1 1 179 179 LEU HB3 H 1 1.451 0.02 . 2 . . . . 179 LEU HB3 . 18942 1 1957 . 1 1 179 179 LEU HG H 1 1.569 0.02 . 1 . . . . 179 LEU HG . 18942 1 1958 . 1 1 179 179 LEU HD11 H 1 0.772 0.02 . 2 . . . . 179 LEU HD11 . 18942 1 1959 . 1 1 179 179 LEU HD12 H 1 0.772 0.02 . 2 . . . . 179 LEU HD12 . 18942 1 1960 . 1 1 179 179 LEU HD13 H 1 0.772 0.02 . 2 . . . . 179 LEU HD13 . 18942 1 1961 . 1 1 179 179 LEU HD21 H 1 0.907 0.02 . 2 . . . . 179 LEU HD21 . 18942 1 1962 . 1 1 179 179 LEU HD22 H 1 0.907 0.02 . 2 . . . . 179 LEU HD22 . 18942 1 1963 . 1 1 179 179 LEU HD23 H 1 0.907 0.02 . 2 . . . . 179 LEU HD23 . 18942 1 1964 . 1 1 179 179 LEU C C 13 178.646 0.2 . 1 . . . . 179 LEU C . 18942 1 1965 . 1 1 179 179 LEU CA C 13 55.075 0.2 . 1 . . . . 179 LEU CA . 18942 1 1966 . 1 1 179 179 LEU CB C 13 41.784 0.2 . 1 . . . . 179 LEU CB . 18942 1 1967 . 1 1 179 179 LEU CG C 13 27.259 0.2 . 1 . . . . 179 LEU CG . 18942 1 1968 . 1 1 179 179 LEU CD1 C 13 23.149 0.2 . 2 . . . . 179 LEU CD1 . 18942 1 1969 . 1 1 179 179 LEU CD2 C 13 21.746 0.2 . 2 . . . . 179 LEU CD2 . 18942 1 1970 . 1 1 179 179 LEU N N 15 118.452 0.2 . 1 . . . . 179 LEU N . 18942 1 1971 . 1 1 180 180 ALA H H 1 7.627 0.02 . 1 . . . . 180 ALA H . 18942 1 1972 . 1 1 180 180 ALA HA H 1 3.014 0.02 . 1 . . . . 180 ALA HA . 18942 1 1973 . 1 1 180 180 ALA HB1 H 1 1.192 0.02 . 1 . . . . 180 ALA HB1 . 18942 1 1974 . 1 1 180 180 ALA HB2 H 1 1.192 0.02 . 1 . . . . 180 ALA HB2 . 18942 1 1975 . 1 1 180 180 ALA HB3 H 1 1.192 0.02 . 1 . . . . 180 ALA HB3 . 18942 1 1976 . 1 1 180 180 ALA C C 13 178.175 0.2 . 1 . . . . 180 ALA C . 18942 1 1977 . 1 1 180 180 ALA CA C 13 55.957 0.2 . 1 . . . . 180 ALA CA . 18942 1 1978 . 1 1 180 180 ALA CB C 13 19.321 0.2 . 1 . . . . 180 ALA CB . 18942 1 1979 . 1 1 180 180 ALA N N 15 124.307 0.2 . 1 . . . . 180 ALA N . 18942 1 1980 . 1 1 181 181 LEU H H 1 7.638 0.02 . 1 . . . . 181 LEU H . 18942 1 1981 . 1 1 181 181 LEU HA H 1 3.515 0.02 . 1 . . . . 181 LEU HA . 18942 1 1982 . 1 1 181 181 LEU HB2 H 1 1.662 0.02 . 2 . . . . 181 LEU HB2 . 18942 1 1983 . 1 1 181 181 LEU HB3 H 1 1.016 0.02 . 2 . . . . 181 LEU HB3 . 18942 1 1984 . 1 1 181 181 LEU HG H 1 1.52 0.02 . 1 . . . . 181 LEU HG . 18942 1 1985 . 1 1 181 181 LEU HD11 H 1 0.426 0.02 . 2 . . . . 181 LEU HD11 . 18942 1 1986 . 1 1 181 181 LEU HD12 H 1 0.426 0.02 . 2 . . . . 181 LEU HD12 . 18942 1 1987 . 1 1 181 181 LEU HD13 H 1 0.426 0.02 . 2 . . . . 181 LEU HD13 . 18942 1 1988 . 1 1 181 181 LEU HD21 H 1 0.606 0.02 . 2 . . . . 181 LEU HD21 . 18942 1 1989 . 1 1 181 181 LEU HD22 H 1 0.606 0.02 . 2 . . . . 181 LEU HD22 . 18942 1 1990 . 1 1 181 181 LEU HD23 H 1 0.606 0.02 . 2 . . . . 181 LEU HD23 . 18942 1 1991 . 1 1 181 181 LEU C C 13 178.681 0.2 . 1 . . . . 181 LEU C . 18942 1 1992 . 1 1 181 181 LEU CA C 13 58.132 0.2 . 1 . . . . 181 LEU CA . 18942 1 1993 . 1 1 181 181 LEU CB C 13 41.138 0.2 . 1 . . . . 181 LEU CB . 18942 1 1994 . 1 1 181 181 LEU CG C 13 27.359 0.2 . 1 . . . . 181 LEU CG . 18942 1 1995 . 1 1 181 181 LEU CD1 C 13 24.252 0.2 . 2 . . . . 181 LEU CD1 . 18942 1 1996 . 1 1 181 181 LEU CD2 C 13 26.106 0.2 . 2 . . . . 181 LEU CD2 . 18942 1 1997 . 1 1 181 181 LEU N N 15 115.295 0.2 . 1 . . . . 181 LEU N . 18942 1 1998 . 1 1 182 182 VAL H H 1 7.448 0.02 . 1 . . . . 182 VAL H . 18942 1 1999 . 1 1 182 182 VAL HA H 1 3.504 0.02 . 1 . . . . 182 VAL HA . 18942 1 2000 . 1 1 182 182 VAL HB H 1 1.918 0.02 . 1 . . . . 182 VAL HB . 18942 1 2001 . 1 1 182 182 VAL HG11 H 1 0.843 0.02 . 2 . . . . 182 VAL HG11 . 18942 1 2002 . 1 1 182 182 VAL HG12 H 1 0.843 0.02 . 2 . . . . 182 VAL HG12 . 18942 1 2003 . 1 1 182 182 VAL HG13 H 1 0.843 0.02 . 2 . . . . 182 VAL HG13 . 18942 1 2004 . 1 1 182 182 VAL HG21 H 1 0.843 0.02 . 2 . . . . 182 VAL HG21 . 18942 1 2005 . 1 1 182 182 VAL HG22 H 1 0.843 0.02 . 2 . . . . 182 VAL HG22 . 18942 1 2006 . 1 1 182 182 VAL HG23 H 1 0.843 0.02 . 2 . . . . 182 VAL HG23 . 18942 1 2007 . 1 1 182 182 VAL C C 13 178.401 0.2 . 1 . . . . 182 VAL C . 18942 1 2008 . 1 1 182 182 VAL CA C 13 65.175 0.2 . 1 . . . . 182 VAL CA . 18942 1 2009 . 1 1 182 182 VAL CB C 13 31.975 0.2 . 1 . . . . 182 VAL CB . 18942 1 2010 . 1 1 182 182 VAL CG2 C 13 21.345 0.2 . 2 . . . . 182 VAL CG2 . 18942 1 2011 . 1 1 182 182 VAL N N 15 114.603 0.2 . 1 . . . . 182 VAL N . 18942 1 2012 . 1 1 183 183 THR H H 1 7.527 0.02 . 1 . . . . 183 THR H . 18942 1 2013 . 1 1 183 183 THR HA H 1 3.807 0.02 . 1 . . . . 183 THR HA . 18942 1 2014 . 1 1 183 183 THR HB H 1 3.921 0.02 . 1 . . . . 183 THR HB . 18942 1 2015 . 1 1 183 183 THR HG21 H 1 1.385 0.02 . 1 . . . . 183 THR HG21 . 18942 1 2016 . 1 1 183 183 THR HG22 H 1 1.385 0.02 . 1 . . . . 183 THR HG22 . 18942 1 2017 . 1 1 183 183 THR HG23 H 1 1.385 0.02 . 1 . . . . 183 THR HG23 . 18942 1 2018 . 1 1 183 183 THR C C 13 176.701 0.2 . 1 . . . . 183 THR C . 18942 1 2019 . 1 1 183 183 THR CA C 13 66.999 0.2 . 1 . . . . 183 THR CA . 18942 1 2020 . 1 1 183 183 THR CB C 13 67.885 0.2 . 1 . . . . 183 THR CB . 18942 1 2021 . 1 1 183 183 THR CG2 C 13 22.698 0.2 . 1 . . . . 183 THR CG2 . 18942 1 2022 . 1 1 183 183 THR N N 15 117.001 0.2 . 1 . . . . 183 THR N . 18942 1 2023 . 1 1 184 184 ILE H H 1 8.406 0.02 . 1 . . . . 184 ILE H . 18942 1 2024 . 1 1 184 184 ILE HA H 1 3.244 0.02 . 1 . . . . 184 ILE HA . 18942 1 2025 . 1 1 184 184 ILE HB H 1 1.294 0.02 . 1 . . . . 184 ILE HB . 18942 1 2026 . 1 1 184 184 ILE HG12 H 1 1.165 0.02 . 2 . . . . 184 ILE HG12 . 18942 1 2027 . 1 1 184 184 ILE HG13 H 1 0.367 0.02 . 2 . . . . 184 ILE HG13 . 18942 1 2028 . 1 1 184 184 ILE HG21 H 1 -0.066 0.02 . 1 . . . . 184 ILE HG21 . 18942 1 2029 . 1 1 184 184 ILE HG22 H 1 -0.066 0.02 . 1 . . . . 184 ILE HG22 . 18942 1 2030 . 1 1 184 184 ILE HG23 H 1 -0.066 0.02 . 1 . . . . 184 ILE HG23 . 18942 1 2031 . 1 1 184 184 ILE HD11 H 1 0.403 0.02 . 1 . . . . 184 ILE HD11 . 18942 1 2032 . 1 1 184 184 ILE HD12 H 1 0.403 0.02 . 1 . . . . 184 ILE HD12 . 18942 1 2033 . 1 1 184 184 ILE HD13 H 1 0.403 0.02 . 1 . . . . 184 ILE HD13 . 18942 1 2034 . 1 1 184 184 ILE C C 13 177.072 0.2 . 1 . . . . 184 ILE C . 18942 1 2035 . 1 1 184 184 ILE CA C 13 66.514 0.2 . 1 . . . . 184 ILE CA . 18942 1 2036 . 1 1 184 184 ILE CB C 13 38.229 0.2 . 1 . . . . 184 ILE CB . 18942 1 2037 . 1 1 184 184 ILE CG1 C 13 29.614 0.2 . 1 . . . . 184 ILE CG1 . 18942 1 2038 . 1 1 184 184 ILE CG2 C 13 15.401 0.2 . 1 . . . . 184 ILE CG2 . 18942 1 2039 . 1 1 184 184 ILE CD1 C 13 13.928 0.2 . 1 . . . . 184 ILE CD1 . 18942 1 2040 . 1 1 184 184 ILE N N 15 125.077 0.2 . 1 . . . . 184 ILE N . 18942 1 2041 . 1 1 185 185 VAL H H 1 7.429 0.02 . 1 . . . . 185 VAL H . 18942 1 2042 . 1 1 185 185 VAL HA H 1 3.291 0.02 . 1 . . . . 185 VAL HA . 18942 1 2043 . 1 1 185 185 VAL HB H 1 1.923 0.02 . 1 . . . . 185 VAL HB . 18942 1 2044 . 1 1 185 185 VAL HG11 H 1 0.775 0.02 . 2 . . . . 185 VAL HG11 . 18942 1 2045 . 1 1 185 185 VAL HG12 H 1 0.775 0.02 . 2 . . . . 185 VAL HG12 . 18942 1 2046 . 1 1 185 185 VAL HG13 H 1 0.775 0.02 . 2 . . . . 185 VAL HG13 . 18942 1 2047 . 1 1 185 185 VAL HG21 H 1 0.778 0.02 . 2 . . . . 185 VAL HG21 . 18942 1 2048 . 1 1 185 185 VAL HG22 H 1 0.778 0.02 . 2 . . . . 185 VAL HG22 . 18942 1 2049 . 1 1 185 185 VAL HG23 H 1 0.778 0.02 . 2 . . . . 185 VAL HG23 . 18942 1 2050 . 1 1 185 185 VAL C C 13 178.544 0.2 . 1 . . . . 185 VAL C . 18942 1 2051 . 1 1 185 185 VAL CA C 13 67.002 0.2 . 1 . . . . 185 VAL CA . 18942 1 2052 . 1 1 185 185 VAL CB C 13 31.006 0.2 . 1 . . . . 185 VAL CB . 18942 1 2053 . 1 1 185 185 VAL CG1 C 13 21.596 0.2 . 2 . . . . 185 VAL CG1 . 18942 1 2054 . 1 1 185 185 VAL CG2 C 13 23.137 0.2 . 2 . . . . 185 VAL CG2 . 18942 1 2055 . 1 1 185 185 VAL N N 15 116.085 0.2 . 1 . . . . 185 VAL N . 18942 1 2056 . 1 1 186 186 LYS H H 1 7.659 0.02 . 1 . . . . 186 LYS H . 18942 1 2057 . 1 1 186 186 LYS HA H 1 3.994 0.02 . 1 . . . . 186 LYS HA . 18942 1 2058 . 1 1 186 186 LYS HB2 H 1 1.879 0.02 . 2 . . . . 186 LYS HB2 . 18942 1 2059 . 1 1 186 186 LYS HB3 H 1 1.879 0.02 . 2 . . . . 186 LYS HB3 . 18942 1 2060 . 1 1 186 186 LYS HG2 H 1 1.385 0.02 . 2 . . . . 186 LYS HG2 . 18942 1 2061 . 1 1 186 186 LYS HG3 H 1 1.467 0.02 . 2 . . . . 186 LYS HG3 . 18942 1 2062 . 1 1 186 186 LYS C C 13 179.109 0.2 . 1 . . . . 186 LYS C . 18942 1 2063 . 1 1 186 186 LYS CA C 13 59.496 0.2 . 1 . . . . 186 LYS CA . 18942 1 2064 . 1 1 186 186 LYS CB C 13 32.866 0.2 . 1 . . . . 186 LYS CB . 18942 1 2065 . 1 1 186 186 LYS CG C 13 25.354 0.2 . 1 . . . . 186 LYS CG . 18942 1 2066 . 1 1 186 186 LYS N N 15 120.246 0.2 . 1 . . . . 186 LYS N . 18942 1 2067 . 1 1 187 187 THR H H 1 8.377 0.02 . 1 . . . . 187 THR H . 18942 1 2068 . 1 1 187 187 THR HA H 1 3.91 0.02 . 1 . . . . 187 THR HA . 18942 1 2069 . 1 1 187 187 THR HB H 1 4.367 0.02 . 1 . . . . 187 THR HB . 18942 1 2070 . 1 1 187 187 THR HG21 H 1 1.047 0.02 . 1 . . . . 187 THR HG21 . 18942 1 2071 . 1 1 187 187 THR HG22 H 1 1.047 0.02 . 1 . . . . 187 THR HG22 . 18942 1 2072 . 1 1 187 187 THR HG23 H 1 1.047 0.02 . 1 . . . . 187 THR HG23 . 18942 1 2073 . 1 1 187 187 THR C C 13 177.056 0.2 . 1 . . . . 187 THR C . 18942 1 2074 . 1 1 187 187 THR CA C 13 66.358 0.2 . 1 . . . . 187 THR CA . 18942 1 2075 . 1 1 187 187 THR CB C 13 69.105 0.2 . 1 . . . . 187 THR CB . 18942 1 2076 . 1 1 187 187 THR CG2 C 13 22.382 0.2 . 1 . . . . 187 THR CG2 . 18942 1 2077 . 1 1 187 187 THR N N 15 117.502 0.2 . 1 . . . . 187 THR N . 18942 1 2078 . 1 1 188 188 LEU H H 1 8.262 0.02 . 1 . . . . 188 LEU H . 18942 1 2079 . 1 1 188 188 LEU HA H 1 4.112 0.02 . 1 . . . . 188 LEU HA . 18942 1 2080 . 1 1 188 188 LEU HB2 H 1 1.808 0.02 . 2 . . . . 188 LEU HB2 . 18942 1 2081 . 1 1 188 188 LEU HB3 H 1 1.319 0.02 . 2 . . . . 188 LEU HB3 . 18942 1 2082 . 1 1 188 188 LEU HG H 1 1.721 0.02 . 1 . . . . 188 LEU HG . 18942 1 2083 . 1 1 188 188 LEU HD11 H 1 0.49 0.02 . 2 . . . . 188 LEU HD11 . 18942 1 2084 . 1 1 188 188 LEU HD12 H 1 0.49 0.02 . 2 . . . . 188 LEU HD12 . 18942 1 2085 . 1 1 188 188 LEU HD13 H 1 0.49 0.02 . 2 . . . . 188 LEU HD13 . 18942 1 2086 . 1 1 188 188 LEU HD21 H 1 0.781 0.02 . 2 . . . . 188 LEU HD21 . 18942 1 2087 . 1 1 188 188 LEU HD22 H 1 0.781 0.02 . 2 . . . . 188 LEU HD22 . 18942 1 2088 . 1 1 188 188 LEU HD23 H 1 0.781 0.02 . 2 . . . . 188 LEU HD23 . 18942 1 2089 . 1 1 188 188 LEU C C 13 178.177 0.2 . 1 . . . . 188 LEU C . 18942 1 2090 . 1 1 188 188 LEU CA C 13 57.524 0.2 . 1 . . . . 188 LEU CA . 18942 1 2091 . 1 1 188 188 LEU CB C 13 42.316 0.2 . 1 . . . . 188 LEU CB . 18942 1 2092 . 1 1 188 188 LEU CG C 13 26.457 0.2 . 1 . . . . 188 LEU CG . 18942 1 2093 . 1 1 188 188 LEU CD1 C 13 26.06 0.2 . 2 . . . . 188 LEU CD1 . 18942 1 2094 . 1 1 188 188 LEU CD2 C 13 24.673 0.2 . 2 . . . . 188 LEU CD2 . 18942 1 2095 . 1 1 188 188 LEU N N 15 122.389 0.2 . 1 . . . . 188 LEU N . 18942 1 2096 . 1 1 189 189 GLY H H 1 7.898 0.02 . 1 . . . . 189 GLY H . 18942 1 2097 . 1 1 189 189 GLY HA2 H 1 4.048 0.02 . 2 . . . . 189 GLY HA2 . 18942 1 2098 . 1 1 189 189 GLY HA3 H 1 3.838 0.02 . 2 . . . . 189 GLY HA3 . 18942 1 2099 . 1 1 189 189 GLY C C 13 174.4 0.2 . 1 . . . . 189 GLY C . 18942 1 2100 . 1 1 189 189 GLY CA C 13 45.967 0.2 . 1 . . . . 189 GLY CA . 18942 1 2101 . 1 1 189 189 GLY N N 15 105.575 0.2 . 1 . . . . 189 GLY N . 18942 1 2102 . 1 1 190 190 GLU H H 1 7.63 0.02 . 1 . . . . 190 GLU H . 18942 1 2103 . 1 1 190 190 GLU HA H 1 4.218 0.02 . 1 . . . . 190 GLU HA . 18942 1 2104 . 1 1 190 190 GLU HB2 H 1 2.03 0.02 . 2 . . . . 190 GLU HB2 . 18942 1 2105 . 1 1 190 190 GLU HB3 H 1 2.03 0.02 . 2 . . . . 190 GLU HB3 . 18942 1 2106 . 1 1 190 190 GLU HG2 H 1 2.423 0.02 . 2 . . . . 190 GLU HG2 . 18942 1 2107 . 1 1 190 190 GLU HG3 H 1 2.208 0.02 . 2 . . . . 190 GLU HG3 . 18942 1 2108 . 1 1 190 190 GLU C C 13 176.344 0.2 . 1 . . . . 190 GLU C . 18942 1 2109 . 1 1 190 190 GLU CA C 13 56.871 0.2 . 1 . . . . 190 GLU CA . 18942 1 2110 . 1 1 190 190 GLU CB C 13 30.653 0.2 . 1 . . . . 190 GLU CB . 18942 1 2111 . 1 1 190 190 GLU CG C 13 36.881 0.2 . 1 . . . . 190 GLU CG . 18942 1 2112 . 1 1 190 190 GLU N N 15 120.35 0.2 . 1 . . . . 190 GLU N . 18942 1 2113 . 1 1 191 191 ARG H H 1 8.126 0.02 . 1 . . . . 191 ARG H . 18942 1 2114 . 1 1 191 191 ARG HA H 1 4.363 0.02 . 1 . . . . 191 ARG HA . 18942 1 2115 . 1 1 191 191 ARG HB2 H 1 1.733 0.02 . 2 . . . . 191 ARG HB2 . 18942 1 2116 . 1 1 191 191 ARG HB3 H 1 1.834 0.02 . 2 . . . . 191 ARG HB3 . 18942 1 2117 . 1 1 191 191 ARG HG2 H 1 1.601 0.02 . 2 . . . . 191 ARG HG2 . 18942 1 2118 . 1 1 191 191 ARG HG3 H 1 1.601 0.02 . 2 . . . . 191 ARG HG3 . 18942 1 2119 . 1 1 191 191 ARG HD2 H 1 3.151 0.02 . 2 . . . . 191 ARG HD2 . 18942 1 2120 . 1 1 191 191 ARG HD3 H 1 3.151 0.02 . 2 . . . . 191 ARG HD3 . 18942 1 2121 . 1 1 191 191 ARG C C 13 175.205 0.2 . 1 . . . . 191 ARG C . 18942 1 2122 . 1 1 191 191 ARG CA C 13 56.061 0.2 . 1 . . . . 191 ARG CA . 18942 1 2123 . 1 1 191 191 ARG CB C 13 30.856 0.2 . 1 . . . . 191 ARG CB . 18942 1 2124 . 1 1 191 191 ARG CG C 13 27.158 0.2 . 1 . . . . 191 ARG CG . 18942 1 2125 . 1 1 191 191 ARG CD C 13 43.597 0.2 . 1 . . . . 191 ARG CD . 18942 1 2126 . 1 1 191 191 ARG N N 15 122.111 0.2 . 1 . . . . 191 ARG N . 18942 1 2127 . 1 1 192 192 ILE H H 1 7.728 0.02 . 1 . . . . 192 ILE H . 18942 1 2128 . 1 1 192 192 ILE HA H 1 4.018 0.02 . 1 . . . . 192 ILE HA . 18942 1 2129 . 1 1 192 192 ILE HB H 1 1.778 0.02 . 1 . . . . 192 ILE HB . 18942 1 2130 . 1 1 192 192 ILE HG12 H 1 1.092 0.02 . 2 . . . . 192 ILE HG12 . 18942 1 2131 . 1 1 192 192 ILE HG13 H 1 1.36 0.02 . 2 . . . . 192 ILE HG13 . 18942 1 2132 . 1 1 192 192 ILE HG21 H 1 0.835 0.02 . 1 . . . . 192 ILE HG21 . 18942 1 2133 . 1 1 192 192 ILE HG22 H 1 0.835 0.02 . 1 . . . . 192 ILE HG22 . 18942 1 2134 . 1 1 192 192 ILE HG23 H 1 0.835 0.02 . 1 . . . . 192 ILE HG23 . 18942 1 2135 . 1 1 192 192 ILE HD11 H 1 0.805 0.02 . 1 . . . . 192 ILE HD11 . 18942 1 2136 . 1 1 192 192 ILE HD12 H 1 0.805 0.02 . 1 . . . . 192 ILE HD12 . 18942 1 2137 . 1 1 192 192 ILE HD13 H 1 0.805 0.02 . 1 . . . . 192 ILE HD13 . 18942 1 2138 . 1 1 192 192 ILE CA C 13 62.977 0.2 . 1 . . . . 192 ILE CA . 18942 1 2139 . 1 1 192 192 ILE CB C 13 39.843 0.2 . 1 . . . . 192 ILE CB . 18942 1 2140 . 1 1 192 192 ILE CG1 C 13 27.61 0.2 . 1 . . . . 192 ILE CG1 . 18942 1 2141 . 1 1 192 192 ILE CG2 C 13 18.396 0.2 . 1 . . . . 192 ILE CG2 . 18942 1 2142 . 1 1 192 192 ILE CD1 C 13 14.104 0.2 . 1 . . . . 192 ILE CD1 . 18942 1 2143 . 1 1 192 192 ILE N N 15 126.861 0.2 . 1 . . . . 192 ILE N . 18942 1 stop_ save_