data_7209 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7209 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Resonance assignment of PilP pilot protein' 'NMR assignment' '1H, 13C and 15N - resonance assignments for PilP fragment, residues 69-181.' 7209 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7209 _Entry.Title ; Assignment of 1H, 13C, and 15N resonances for the PilP pilot protein from Neisseria meningitidis. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-07-04 _Entry.Accession_date 2006-07-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Alexander Golovanov . P. . 7209 2 Seetha Balasingham . . . 7209 3 Christos Tzitzilonis . . . 7209 4 Benjamin Goult . T. . 7209 5 Lu-Yun Lian . . . 7209 6 Havard Homberset . . . 7209 7 Tone Tonjum . . . 7209 8 Jeremy Derrick . P. . 7209 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7209 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 436 7209 '15N chemical shifts' 116 7209 '1H chemical shifts' 749 7209 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 . . 2007-02-09 2006-07-05 update BMRB 'complete entry citation' 7209 1 . . 2006-10-02 2006-07-05 original author 'original release' 7209 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7209 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16933020 _Citation.Full_citation . _Citation.Title 'Assignment of 1H, 13C, and 15N resonances for the PilP pilot protein from Neisseria meningitidis' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 68 _Citation.Page_last 68 _Citation.Year 2006 _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 Alexander Golovanov . P. . 7209 1 2 Seetha Balasingham . . . 7209 1 3 Christos Tzitzilonis . . . 7209 1 4 Benjamin Goult . T. . 7209 1 5 Lu-Yun Lian . . . 7209 1 6 Havard Homberset . . . 7209 1 7 Tone Tonjum . . . 7209 1 8 Jeremy Derrick . P. . 7209 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID lipoprotein 7209 1 'Neisseria meningitidis' 7209 1 'pilot protein' 7209 1 'pilus biogenesis' 7209 1 secretin 7209 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7209 _Assembly.ID 1 _Assembly.Name PilP _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'The fragment of PilP 69-181 containing the folded domain.' _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 PilP 1 $PilP_pilot_protein . . yes native no no . . . 7209 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes EMBL AL162753 . . . . . 'The current entry contain the fragment 69-181 of PilP.' 7209 1 yes PIR C81041 . . . . . 'The current entry contain the fragment 69-181 of PilP.' 7209 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Pilot protein required for pilus assembly in bacteria' 7209 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID lipoprotein 7209 1 'pilot protein' 7209 1 'pilus biogenesis' 7209 1 secretin 7209 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PilP_pilot_protein _Entity.Sf_category entity _Entity.Sf_framecode PilP_pilot_protein _Entity.Entry_ID 7209 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PilP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ETDKKGENAPDTKRIKETLE KFSLENMRYVGILKSGQKVS GFIEAEGYVYTVGVGNYLGQ NYGRIESITDDSIVLNELIE DSTGNWVSRKAELLLNSSDK NTEQAAAPAAEQN ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2IVW . "The Solution Structure Of A Domain From The Neisseria Meningitidis Pilp Pilot Protein" . . . . . 99.12 113 100.00 100.00 7.94e-74 . . . . 7209 1 2 no PDB 4AV2 . "Single Particle Electron Microscopy Of Pilq Dodecameric Complexes From Neisseria Meningitidis." . . . . . 100.00 181 100.00 100.00 4.71e-74 . . . . 7209 1 3 no EMBL CAM07914 . "pilus assembly protein [Neisseria meningitidis Z2491]" . . . . . 100.00 181 100.00 100.00 4.71e-74 . . . . 7209 1 4 no EMBL CAM09717 . "pilus assembly protein [Neisseria meningitidis FAM18]" . . . . . 100.00 181 100.00 100.00 4.71e-74 . . . . 7209 1 5 no EMBL CAX50761 . "type IV pilus biogenesis lipoprotein PilP [Neisseria meningitidis 8013]" . . . . . 100.00 181 100.00 100.00 4.71e-74 . . . . 7209 1 6 no EMBL CBA04083 . "type IV pilus biogenesis protein PilP [Neisseria meningitidis alpha14]" . . . . . 100.00 181 100.00 100.00 4.71e-74 . . . . 7209 1 7 no EMBL CBA04812 . "type 4 fimbrial biogenesis protein PilP [Neisseria meningitidis alpha153]" . . . . . 100.00 181 100.00 100.00 4.71e-74 . . . . 7209 1 8 no GB AAB52532 . "PilP, partial [Neisseria gonorrhoeae]" . . . . . 84.96 164 97.92 98.96 5.41e-60 . . . . 7209 1 9 no GB AAF42147 . "pilP protein [Neisseria meningitidis MC58]" . . . . . 100.00 181 100.00 100.00 4.71e-74 . . . . 7209 1 10 no GB AAW88856 . "pilin assembly protein [Neisseria gonorrhoeae FA 1090]" . . . . . 100.00 181 98.23 99.12 7.50e-73 . . . . 7209 1 11 no GB ABX72622 . "type IV pilus assembly protein PilP [Neisseria meningitidis 053442]" . . . . . 100.00 181 100.00 100.00 4.46e-74 . . . . 7209 1 12 no GB ACF28836 . "PilP [Neisseria gonorrhoeae NCCP11945]" . . . . . 100.00 155 98.23 99.12 4.36e-73 . . . . 7209 1 13 no REF NP_274808 . "pilP protein [Neisseria meningitidis MC58]" . . . . . 100.00 181 100.00 100.00 4.71e-74 . . . . 7209 1 14 no REF WP_002214522 . "type IV pilus assembly protein PilP [Neisseria meningitidis]" . . . . . 100.00 181 100.00 100.00 4.71e-74 . . . . 7209 1 15 no REF WP_002217909 . "hypothetical protein [Neisseria meningitidis]" . . . . . 100.00 181 99.12 100.00 3.10e-73 . . . . 7209 1 16 no REF WP_002219788 . "type IV pilus assembly protein PilP [Neisseria meningitidis]" . . . . . 100.00 181 99.12 99.12 2.47e-73 . . . . 7209 1 17 no REF WP_002224058 . "type IV pilus assembly protein PilP [Neisseria meningitidis]" . . . . . 100.00 181 99.12 99.12 7.42e-73 . . . . 7209 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID PilP . 7209 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 69 GLU . 7209 1 2 70 THR . 7209 1 3 71 ASP . 7209 1 4 72 LYS . 7209 1 5 73 LYS . 7209 1 6 74 GLY . 7209 1 7 75 GLU . 7209 1 8 76 ASN . 7209 1 9 77 ALA . 7209 1 10 78 PRO . 7209 1 11 79 ASP . 7209 1 12 80 THR . 7209 1 13 81 LYS . 7209 1 14 82 ARG . 7209 1 15 83 ILE . 7209 1 16 84 LYS . 7209 1 17 85 GLU . 7209 1 18 86 THR . 7209 1 19 87 LEU . 7209 1 20 88 GLU . 7209 1 21 89 LYS . 7209 1 22 90 PHE . 7209 1 23 91 SER . 7209 1 24 92 LEU . 7209 1 25 93 GLU . 7209 1 26 94 ASN . 7209 1 27 95 MET . 7209 1 28 96 ARG . 7209 1 29 97 TYR . 7209 1 30 98 VAL . 7209 1 31 99 GLY . 7209 1 32 100 ILE . 7209 1 33 101 LEU . 7209 1 34 102 LYS . 7209 1 35 103 SER . 7209 1 36 104 GLY . 7209 1 37 105 GLN . 7209 1 38 106 LYS . 7209 1 39 107 VAL . 7209 1 40 108 SER . 7209 1 41 109 GLY . 7209 1 42 110 PHE . 7209 1 43 111 ILE . 7209 1 44 112 GLU . 7209 1 45 113 ALA . 7209 1 46 114 GLU . 7209 1 47 115 GLY . 7209 1 48 116 TYR . 7209 1 49 117 VAL . 7209 1 50 118 TYR . 7209 1 51 119 THR . 7209 1 52 120 VAL . 7209 1 53 121 GLY . 7209 1 54 122 VAL . 7209 1 55 123 GLY . 7209 1 56 124 ASN . 7209 1 57 125 TYR . 7209 1 58 126 LEU . 7209 1 59 127 GLY . 7209 1 60 128 GLN . 7209 1 61 129 ASN . 7209 1 62 130 TYR . 7209 1 63 131 GLY . 7209 1 64 132 ARG . 7209 1 65 133 ILE . 7209 1 66 134 GLU . 7209 1 67 135 SER . 7209 1 68 136 ILE . 7209 1 69 137 THR . 7209 1 70 138 ASP . 7209 1 71 139 ASP . 7209 1 72 140 SER . 7209 1 73 141 ILE . 7209 1 74 142 VAL . 7209 1 75 143 LEU . 7209 1 76 144 ASN . 7209 1 77 145 GLU . 7209 1 78 146 LEU . 7209 1 79 147 ILE . 7209 1 80 148 GLU . 7209 1 81 149 ASP . 7209 1 82 150 SER . 7209 1 83 151 THR . 7209 1 84 152 GLY . 7209 1 85 153 ASN . 7209 1 86 154 TRP . 7209 1 87 155 VAL . 7209 1 88 156 SER . 7209 1 89 157 ARG . 7209 1 90 158 LYS . 7209 1 91 159 ALA . 7209 1 92 160 GLU . 7209 1 93 161 LEU . 7209 1 94 162 LEU . 7209 1 95 163 LEU . 7209 1 96 164 ASN . 7209 1 97 165 SER . 7209 1 98 166 SER . 7209 1 99 167 ASP . 7209 1 100 168 LYS . 7209 1 101 169 ASN . 7209 1 102 170 THR . 7209 1 103 171 GLU . 7209 1 104 172 GLN . 7209 1 105 173 ALA . 7209 1 106 174 ALA . 7209 1 107 175 ALA . 7209 1 108 176 PRO . 7209 1 109 177 ALA . 7209 1 110 178 ALA . 7209 1 111 179 GLU . 7209 1 112 180 GLN . 7209 1 113 181 ASN . 7209 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 . GLU 1 1 7209 1 . THR 2 2 7209 1 . ASP 3 3 7209 1 . LYS 4 4 7209 1 . LYS 5 5 7209 1 . GLY 6 6 7209 1 . GLU 7 7 7209 1 . ASN 8 8 7209 1 . ALA 9 9 7209 1 . PRO 10 10 7209 1 . ASP 11 11 7209 1 . THR 12 12 7209 1 . LYS 13 13 7209 1 . ARG 14 14 7209 1 . ILE 15 15 7209 1 . LYS 16 16 7209 1 . GLU 17 17 7209 1 . THR 18 18 7209 1 . LEU 19 19 7209 1 . GLU 20 20 7209 1 . LYS 21 21 7209 1 . PHE 22 22 7209 1 . SER 23 23 7209 1 . LEU 24 24 7209 1 . GLU 25 25 7209 1 . ASN 26 26 7209 1 . MET 27 27 7209 1 . ARG 28 28 7209 1 . TYR 29 29 7209 1 . VAL 30 30 7209 1 . GLY 31 31 7209 1 . ILE 32 32 7209 1 . LEU 33 33 7209 1 . LYS 34 34 7209 1 . SER 35 35 7209 1 . GLY 36 36 7209 1 . GLN 37 37 7209 1 . LYS 38 38 7209 1 . VAL 39 39 7209 1 . SER 40 40 7209 1 . GLY 41 41 7209 1 . PHE 42 42 7209 1 . ILE 43 43 7209 1 . GLU 44 44 7209 1 . ALA 45 45 7209 1 . GLU 46 46 7209 1 . GLY 47 47 7209 1 . TYR 48 48 7209 1 . VAL 49 49 7209 1 . TYR 50 50 7209 1 . THR 51 51 7209 1 . VAL 52 52 7209 1 . GLY 53 53 7209 1 . VAL 54 54 7209 1 . GLY 55 55 7209 1 . ASN 56 56 7209 1 . TYR 57 57 7209 1 . LEU 58 58 7209 1 . GLY 59 59 7209 1 . GLN 60 60 7209 1 . ASN 61 61 7209 1 . TYR 62 62 7209 1 . GLY 63 63 7209 1 . ARG 64 64 7209 1 . ILE 65 65 7209 1 . GLU 66 66 7209 1 . SER 67 67 7209 1 . ILE 68 68 7209 1 . THR 69 69 7209 1 . ASP 70 70 7209 1 . ASP 71 71 7209 1 . SER 72 72 7209 1 . ILE 73 73 7209 1 . VAL 74 74 7209 1 . LEU 75 75 7209 1 . ASN 76 76 7209 1 . GLU 77 77 7209 1 . LEU 78 78 7209 1 . ILE 79 79 7209 1 . GLU 80 80 7209 1 . ASP 81 81 7209 1 . SER 82 82 7209 1 . THR 83 83 7209 1 . GLY 84 84 7209 1 . ASN 85 85 7209 1 . TRP 86 86 7209 1 . VAL 87 87 7209 1 . SER 88 88 7209 1 . ARG 89 89 7209 1 . LYS 90 90 7209 1 . ALA 91 91 7209 1 . GLU 92 92 7209 1 . LEU 93 93 7209 1 . LEU 94 94 7209 1 . LEU 95 95 7209 1 . ASN 96 96 7209 1 . SER 97 97 7209 1 . SER 98 98 7209 1 . ASP 99 99 7209 1 . LYS 100 100 7209 1 . ASN 101 101 7209 1 . THR 102 102 7209 1 . GLU 103 103 7209 1 . GLN 104 104 7209 1 . ALA 105 105 7209 1 . ALA 106 106 7209 1 . ALA 107 107 7209 1 . PRO 108 108 7209 1 . ALA 109 109 7209 1 . ALA 110 110 7209 1 . GLU 111 111 7209 1 . GLN 112 112 7209 1 . ASN 113 113 7209 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7209 _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 $PilP_pilot_protein . 487 organism no 'Neisseria meningitidis' 'Neisseria meningitidis' . . Eubacteria . Neisseria meningitidis Z2491 . . . . . . . . . . . . . . . . . . . . 7209 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 7209 _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 $PilP_pilot_protein . 'recombinant technology' . 'E. coli' . . . . . . . . . . . BL21(DE3)* . . . . . . . . pET101/D-TOPO . . . . . . 7209 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7209 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'PilP fragment, residues 69-181' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PilP '[U-13C; U-15N]' . . 1 $PilP_pilot_protein . protein . 0.5 1.0 mM . . . . 7209 1 2 'phosphate buffer' . . . . . . buffer 20 . . mM . . . . 7209 1 3 EDTA . . . . . . 'chelating agent' 1 . . mM . . . . 7209 1 4 H2O . . . . . . solvent 95 . . % . . . . 7209 1 5 D2O . . . . . . solvent 5 . . % . . . . 7209 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7209 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'PilP fragment, residues 69-181' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PilP . . . 1 $PilP_pilot_protein . protein . 0.5 1.0 mM . . . . 7209 2 2 'phosphate buffer' . . . . . . buffer 20 . . mM . . . . 7209 2 3 EDTA . . . . . . 'chelating agent' 1 . . mM . . . . 7209 2 4 H2O . . . . . . solvent 95 . . % . . . . 7209 2 5 D2O . . . . . . solvent 5 . . % . . . . 7209 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7209 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.1 0.1 pH 7209 1 temperature 303 0.1 K 7209 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7209 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE DRX' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7209 _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 HNCO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7209 1 2 HNCACO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7209 1 3 HNCA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7209 1 4 HNCOCA no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7209 1 5 HBHACONH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7209 1 6 CBCACONH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7209 1 7 HCCH-TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7209 1 8 NOESY-HSQC no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7209 1 9 TOCSY-HSQC no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7209 1 10 NOESY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7209 1 11 TOCSY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7209 1 stop_ save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7209 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACO _NMR_spec_expt.Entry_ID 7209 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 7209 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCOCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCOCA _NMR_spec_expt.Entry_ID 7209 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCOCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HBHACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HBHACONH _NMR_spec_expt.Entry_ID 7209 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HBHACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACONH _NMR_spec_expt.Entry_ID 7209 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY _NMR_spec_expt.Entry_ID 7209 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NOESY-HSQC _NMR_spec_expt.Entry_ID 7209 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_TOCSY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TOCSY-HSQC _NMR_spec_expt.Entry_ID 7209 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name TOCSY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NOESY _NMR_spec_expt.Entry_ID 7209 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TOCSY _NMR_spec_expt.Entry_ID 7209 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7209 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7209 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7209 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7209 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7209 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 HNCO 1 $sample_1 isotropic 7209 1 2 HNCACO 1 $sample_1 isotropic 7209 1 3 HNCA 1 $sample_1 isotropic 7209 1 4 HNCOCA 1 $sample_1 isotropic 7209 1 5 HBHACONH 1 $sample_1 isotropic 7209 1 6 CBCACONH 1 $sample_1 isotropic 7209 1 7 HCCH-TOCSY 1 $sample_1 isotropic 7209 1 8 NOESY-HSQC 1 $sample_1 isotropic 7209 1 9 TOCSY-HSQC 1 $sample_1 isotropic 7209 1 10 NOESY 2 $sample_2 isotropic 7209 1 11 TOCSY 2 $sample_2 isotropic 7209 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 GLU HA H 1 4.545 0.02 . 1 . . . . 1 GLU HA . 7209 1 2 . 1 1 1 1 GLU HB2 H 1 2.043 0.02 . 1 . . . . 1 GLU HB2 . 7209 1 3 . 1 1 1 1 GLU HB3 H 1 2.043 0.02 . 1 . . . . 1 GLU HB3 . 7209 1 4 . 1 1 1 1 GLU HG2 H 1 2.604 0.02 . 1 . . . . 1 GLU HG2 . 7209 1 5 . 1 1 1 1 GLU HG3 H 1 2.604 0.02 . 1 . . . . 1 GLU HG3 . 7209 1 6 . 1 1 1 1 GLU CA C 13 56.980 0.1 . 1 . . . . 1 GLU CA . 7209 1 7 . 1 1 1 1 GLU CB C 13 30.160 0.1 . 1 . . . . 1 GLU CB . 7209 1 8 . 1 1 2 2 THR H H 1 8.118 0.02 . 1 . . . . 2 THR H . 7209 1 9 . 1 1 2 2 THR HA H 1 4.357 0.02 . 1 . . . . 2 THR HA . 7209 1 10 . 1 1 2 2 THR HB H 1 4.421 0.02 . 1 . . . . 2 THR HB . 7209 1 11 . 1 1 2 2 THR HG21 H 1 1.204 0.02 . 1 . . . . 2 THR HG2 . 7209 1 12 . 1 1 2 2 THR HG22 H 1 1.204 0.02 . 1 . . . . 2 THR HG2 . 7209 1 13 . 1 1 2 2 THR HG23 H 1 1.204 0.02 . 1 . . . . 2 THR HG2 . 7209 1 14 . 1 1 2 2 THR C C 13 173.778 0.1 . 1 . . . . 2 THR C . 7209 1 15 . 1 1 2 2 THR CA C 13 61.800 0.1 . 1 . . . . 2 THR CA . 7209 1 16 . 1 1 2 2 THR CB C 13 69.976 0.1 . 1 . . . . 2 THR CB . 7209 1 17 . 1 1 2 2 THR CG2 C 13 21.670 0.1 . 1 . . . . 2 THR CG2 . 7209 1 18 . 1 1 2 2 THR N N 15 113.637 0.1 . 1 . . . . 2 THR N . 7209 1 19 . 1 1 3 3 ASP H H 1 8.514 0.02 . 1 . . . . 3 ASP H . 7209 1 20 . 1 1 3 3 ASP HA H 1 4.615 0.02 . 1 . . . . 3 ASP HA . 7209 1 21 . 1 1 3 3 ASP HB2 H 1 2.701 0.02 . 1 . . . . 3 ASP HB2 . 7209 1 22 . 1 1 3 3 ASP HB3 H 1 2.701 0.02 . 1 . . . . 3 ASP HB3 . 7209 1 23 . 1 1 3 3 ASP C C 13 176.061 0.1 . 1 . . . . 3 ASP C . 7209 1 24 . 1 1 3 3 ASP CA C 13 54.444 0.1 . 1 . . . . 3 ASP CA . 7209 1 25 . 1 1 3 3 ASP CB C 13 41.312 0.1 . 1 . . . . 3 ASP CB . 7209 1 26 . 1 1 3 3 ASP N N 15 123.422 0.1 . 1 . . . . 3 ASP N . 7209 1 27 . 1 1 4 4 LYS H H 1 8.215 0.02 . 1 . . . . 4 LYS H . 7209 1 28 . 1 1 4 4 LYS HA H 1 4.363 0.02 . 1 . . . . 4 LYS HA . 7209 1 29 . 1 1 4 4 LYS HB2 H 1 1.870 0.02 . 2 . . . . 4 LYS HB2 . 7209 1 30 . 1 1 4 4 LYS HB3 H 1 1.770 0.02 . 2 . . . . 4 LYS HB3 . 7209 1 31 . 1 1 4 4 LYS HG2 H 1 1.426 0.02 . 1 . . . . 4 LYS HG2 . 7209 1 32 . 1 1 4 4 LYS HG3 H 1 1.426 0.02 . 1 . . . . 4 LYS HG3 . 7209 1 33 . 1 1 4 4 LYS C C 13 176.443 0.1 . 1 . . . . 4 LYS C . 7209 1 34 . 1 1 4 4 LYS CA C 13 56.322 0.1 . 1 . . . . 4 LYS CA . 7209 1 35 . 1 1 4 4 LYS CB C 13 32.856 0.1 . 1 . . . . 4 LYS CB . 7209 1 36 . 1 1 4 4 LYS CG C 13 24.750 0.1 . 1 . . . . 4 LYS CG . 7209 1 37 . 1 1 4 4 LYS CD C 13 28.980 0.1 . 1 . . . . 4 LYS CD . 7209 1 38 . 1 1 4 4 LYS N N 15 121.769 0.1 . 1 . . . . 4 LYS N . 7209 1 39 . 1 1 5 5 LYS H H 1 8.414 0.02 . 1 . . . . 5 LYS H . 7209 1 40 . 1 1 5 5 LYS HA H 1 4.360 0.02 . 1 . . . . 5 LYS HA . 7209 1 41 . 1 1 5 5 LYS HB2 H 1 1.770 0.02 . 1 . . . . 5 LYS HB2 . 7209 1 42 . 1 1 5 5 LYS HB3 H 1 1.770 0.02 . 1 . . . . 5 LYS HB3 . 7209 1 43 . 1 1 5 5 LYS HG2 H 1 1.422 0.02 . 1 . . . . 5 LYS HG2 . 7209 1 44 . 1 1 5 5 LYS HG3 H 1 1.422 0.02 . 1 . . . . 5 LYS HG3 . 7209 1 45 . 1 1 5 5 LYS HD2 H 1 1.708 0.02 . 1 . . . . 5 LYS HD2 . 7209 1 46 . 1 1 5 5 LYS HD3 H 1 1.708 0.02 . 1 . . . . 5 LYS HD3 . 7209 1 47 . 1 1 5 5 LYS HE2 H 1 2.924 0.02 . 1 . . . . 5 LYS HE2 . 7209 1 48 . 1 1 5 5 LYS HE3 H 1 2.924 0.02 . 1 . . . . 5 LYS HE3 . 7209 1 49 . 1 1 5 5 LYS C C 13 177.017 0.1 . 1 . . . . 5 LYS C . 7209 1 50 . 1 1 5 5 LYS CA C 13 56.391 0.1 . 1 . . . . 5 LYS CA . 7209 1 51 . 1 1 5 5 LYS CB C 13 33.006 0.1 . 1 . . . . 5 LYS CB . 7209 1 52 . 1 1 5 5 LYS CG C 13 24.720 0.1 . 1 . . . . 5 LYS CG . 7209 1 53 . 1 1 5 5 LYS CD C 13 28.950 0.1 . 1 . . . . 5 LYS CD . 7209 1 54 . 1 1 5 5 LYS CE C 13 41.900 0.1 . 1 . . . . 5 LYS CE . 7209 1 55 . 1 1 5 5 LYS N N 15 123.078 0.1 . 1 . . . . 5 LYS N . 7209 1 56 . 1 1 6 6 GLY H H 1 8.389 0.02 . 1 . . . . 6 GLY H . 7209 1 57 . 1 1 6 6 GLY HA2 H 1 4.050 0.02 . 1 . . . . 6 GLY HA2 . 7209 1 58 . 1 1 6 6 GLY HA3 H 1 4.050 0.02 . 1 . . . . 6 GLY HA3 . 7209 1 59 . 1 1 6 6 GLY C C 13 174.322 0.1 . 1 . . . . 6 GLY C . 7209 1 60 . 1 1 6 6 GLY CA C 13 45.250 0.1 . 1 . . . . 6 GLY CA . 7209 1 61 . 1 1 6 6 GLY N N 15 109.856 0.1 . 1 . . . . 6 GLY N . 7209 1 62 . 1 1 7 7 GLU H H 1 8.406 0.02 . 1 . . . . 7 GLU H . 7209 1 63 . 1 1 7 7 GLU HA H 1 4.341 0.02 . 1 . . . . 7 GLU HA . 7209 1 64 . 1 1 7 7 GLU HB2 H 1 2.070 0.02 . 2 . . . . 7 GLU HB2 . 7209 1 65 . 1 1 7 7 GLU HB3 H 1 1.880 0.02 . 2 . . . . 7 GLU HB3 . 7209 1 66 . 1 1 7 7 GLU HG2 H 1 2.288 0.02 . 1 . . . . 7 GLU HG2 . 7209 1 67 . 1 1 7 7 GLU HG3 H 1 2.288 0.02 . 1 . . . . 7 GLU HG3 . 7209 1 68 . 1 1 7 7 GLU C C 13 176.437 0.1 . 1 . . . . 7 GLU C . 7209 1 69 . 1 1 7 7 GLU CA C 13 56.599 0.1 . 1 . . . . 7 GLU CA . 7209 1 70 . 1 1 7 7 GLU CB C 13 30.462 0.1 . 1 . . . . 7 GLU CB . 7209 1 71 . 1 1 7 7 GLU CG C 13 36.380 0.1 . 1 . . . . 7 GLU CG . 7209 1 72 . 1 1 7 7 GLU N N 15 120.862 0.1 . 1 . . . . 7 GLU N . 7209 1 73 . 1 1 8 8 ASN H H 1 8.524 0.02 . 1 . . . . 8 ASN H . 7209 1 74 . 1 1 8 8 ASN HA H 1 4.576 0.02 . 1 . . . . 8 ASN HA . 7209 1 75 . 1 1 8 8 ASN HB2 H 1 2.759 0.02 . 2 . . . . 8 ASN HB2 . 7209 1 76 . 1 1 8 8 ASN HB3 H 1 2.766 0.02 . 2 . . . . 8 ASN HB3 . 7209 1 77 . 1 1 8 8 ASN C C 13 173.537 0.1 . 1 . . . . 8 ASN C . 7209 1 78 . 1 1 8 8 ASN CA C 13 53.137 0.1 . 1 . . . . 8 ASN CA . 7209 1 79 . 1 1 8 8 ASN CB C 13 38.800 0.1 . 1 . . . . 8 ASN CB . 7209 1 80 . 1 1 8 8 ASN N N 15 118.405 0.1 . 1 . . . . 8 ASN N . 7209 1 81 . 1 1 9 9 ALA H H 1 8.186 0.02 . 1 . . . . 9 ALA H . 7209 1 82 . 1 1 9 9 ALA HA H 1 4.612 0.02 . 1 . . . . 9 ALA HA . 7209 1 83 . 1 1 9 9 ALA HB1 H 1 1.360 0.02 . 1 . . . . 9 ALA HB . 7209 1 84 . 1 1 9 9 ALA HB2 H 1 1.360 0.02 . 1 . . . . 9 ALA HB . 7209 1 85 . 1 1 9 9 ALA HB3 H 1 1.360 0.02 . 1 . . . . 9 ALA HB . 7209 1 86 . 1 1 9 9 ALA C C 13 175.600 0.1 . 1 . . . . 9 ALA C . 7209 1 87 . 1 1 9 9 ALA CA C 13 50.250 0.1 . 1 . . . . 9 ALA CA . 7209 1 88 . 1 1 9 9 ALA CB C 13 18.338 0.1 . 1 . . . . 9 ALA CB . 7209 1 89 . 1 1 9 9 ALA N N 15 124.907 0.1 . 1 . . . . 9 ALA N . 7209 1 90 . 1 1 10 10 PRO C C 13 175.300 0.1 . 1 . . . . 10 PRO C . 7209 1 91 . 1 1 10 10 PRO CA C 13 61.740 0.1 . 1 . . . . 10 PRO CA . 7209 1 92 . 1 1 10 10 PRO CB C 13 31.300 0.1 . 1 . . . . 10 PRO CB . 7209 1 93 . 1 1 11 11 ASP H H 1 7.815 0.02 . 1 . . . . 11 ASP H . 7209 1 94 . 1 1 11 11 ASP HA H 1 4.516 0.02 . 1 . . . . 11 ASP HA . 7209 1 95 . 1 1 11 11 ASP HB2 H 1 2.655 0.02 . 1 . . . . 11 ASP HB2 . 7209 1 96 . 1 1 11 11 ASP HB3 H 1 2.655 0.02 . 1 . . . . 11 ASP HB3 . 7209 1 97 . 1 1 11 11 ASP C C 13 178.108 0.1 . 1 . . . . 11 ASP C . 7209 1 98 . 1 1 11 11 ASP CA C 13 53.540 0.1 . 1 . . . . 11 ASP CA . 7209 1 99 . 1 1 11 11 ASP CB C 13 40.709 0.1 . 1 . . . . 11 ASP CB . 7209 1 100 . 1 1 11 11 ASP N N 15 118.563 0.1 . 1 . . . . 11 ASP N . 7209 1 101 . 1 1 12 12 THR H H 1 8.221 0.02 . 1 . . . . 12 THR H . 7209 1 102 . 1 1 12 12 THR HA H 1 4.257 0.02 . 1 . . . . 12 THR HA . 7209 1 103 . 1 1 12 12 THR HB H 1 4.472 0.02 . 1 . . . . 12 THR HB . 7209 1 104 . 1 1 12 12 THR HG21 H 1 1.175 0.02 . 1 . . . . 12 THR HG2 . 7209 1 105 . 1 1 12 12 THR HG22 H 1 1.175 0.02 . 1 . . . . 12 THR HG2 . 7209 1 106 . 1 1 12 12 THR HG23 H 1 1.175 0.02 . 1 . . . . 12 THR HG2 . 7209 1 107 . 1 1 12 12 THR C C 13 175.277 0.1 . 1 . . . . 12 THR C . 7209 1 108 . 1 1 12 12 THR CA C 13 62.928 0.1 . 1 . . . . 12 THR CA . 7209 1 109 . 1 1 12 12 THR CB C 13 68.600 0.1 . 1 . . . . 12 THR CB . 7209 1 110 . 1 1 12 12 THR CG2 C 13 21.680 0.1 . 1 . . . . 12 THR CG2 . 7209 1 111 . 1 1 12 12 THR N N 15 118.361 0.1 . 1 . . . . 12 THR N . 7209 1 112 . 1 1 13 13 LYS H H 1 8.343 0.02 . 1 . . . . 13 LYS H . 7209 1 113 . 1 1 13 13 LYS HA H 1 4.287 0.02 . 1 . . . . 13 LYS HA . 7209 1 114 . 1 1 13 13 LYS HB2 H 1 1.856 0.02 . 1 . . . . 13 LYS HB2 . 7209 1 115 . 1 1 13 13 LYS HB3 H 1 1.856 0.02 . 1 . . . . 13 LYS HB3 . 7209 1 116 . 1 1 13 13 LYS HG2 H 1 1.438 0.02 . 1 . . . . 13 LYS HG2 . 7209 1 117 . 1 1 13 13 LYS HG3 H 1 1.438 0.02 . 1 . . . . 13 LYS HG3 . 7209 1 118 . 1 1 13 13 LYS C C 13 176.780 0.1 . 1 . . . . 13 LYS C . 7209 1 119 . 1 1 13 13 LYS CA C 13 56.184 0.1 . 1 . . . . 13 LYS CA . 7209 1 120 . 1 1 13 13 LYS CB C 13 31.958 0.1 . 1 . . . . 13 LYS CB . 7209 1 121 . 1 1 13 13 LYS CG C 13 25.150 0.1 . 1 . . . . 13 LYS CG . 7209 1 122 . 1 1 13 13 LYS N N 15 121.703 0.1 . 1 . . . . 13 LYS N . 7209 1 123 . 1 1 14 14 ARG H H 1 6.896 0.02 . 1 . . . . 14 ARG H . 7209 1 124 . 1 1 14 14 ARG HA H 1 4.058 0.02 . 1 . . . . 14 ARG HA . 7209 1 125 . 1 1 14 14 ARG HB2 H 1 1.566 0.02 . 1 . . . . 14 ARG HB2 . 7209 1 126 . 1 1 14 14 ARG HB3 H 1 1.566 0.02 . 1 . . . . 14 ARG HB3 . 7209 1 127 . 1 1 14 14 ARG HG2 H 1 1.382 0.02 . 1 . . . . 14 ARG HG2 . 7209 1 128 . 1 1 14 14 ARG HG3 H 1 1.382 0.02 . 1 . . . . 14 ARG HG3 . 7209 1 129 . 1 1 14 14 ARG C C 13 175.781 0.1 . 1 . . . . 14 ARG C . 7209 1 130 . 1 1 14 14 ARG CA C 13 56.390 0.1 . 1 . . . . 14 ARG CA . 7209 1 131 . 1 1 14 14 ARG CB C 13 30.798 0.1 . 1 . . . . 14 ARG CB . 7209 1 132 . 1 1 14 14 ARG CG C 13 27.350 0.1 . 1 . . . . 14 ARG CG . 7209 1 133 . 1 1 14 14 ARG N N 15 121.597 0.1 . 1 . . . . 14 ARG N . 7209 1 134 . 1 1 15 15 ILE H H 1 8.394 0.02 . 1 . . . . 15 ILE H . 7209 1 135 . 1 1 15 15 ILE HA H 1 3.844 0.02 . 1 . . . . 15 ILE HA . 7209 1 136 . 1 1 15 15 ILE HB H 1 1.765 0.02 . 1 . . . . 15 ILE HB . 7209 1 137 . 1 1 15 15 ILE HG12 H 1 1.566 0.02 . 2 . . . . 15 ILE HG12 . 7209 1 138 . 1 1 15 15 ILE HG13 H 1 1.293 0.02 . 2 . . . . 15 ILE HG13 . 7209 1 139 . 1 1 15 15 ILE HG21 H 1 0.935 0.02 . 1 . . . . 15 ILE HG2 . 7209 1 140 . 1 1 15 15 ILE HG22 H 1 0.935 0.02 . 1 . . . . 15 ILE HG2 . 7209 1 141 . 1 1 15 15 ILE HG23 H 1 0.935 0.02 . 1 . . . . 15 ILE HG2 . 7209 1 142 . 1 1 15 15 ILE HD11 H 1 0.886 0.02 . 1 . . . . 15 ILE HD1 . 7209 1 143 . 1 1 15 15 ILE HD12 H 1 0.886 0.02 . 1 . . . . 15 ILE HD1 . 7209 1 144 . 1 1 15 15 ILE HD13 H 1 0.886 0.02 . 1 . . . . 15 ILE HD1 . 7209 1 145 . 1 1 15 15 ILE C C 13 176.031 0.1 . 1 . . . . 15 ILE C . 7209 1 146 . 1 1 15 15 ILE CA C 13 61.251 0.1 . 1 . . . . 15 ILE CA . 7209 1 147 . 1 1 15 15 ILE CB C 13 37.178 0.1 . 1 . . . . 15 ILE CB . 7209 1 148 . 1 1 15 15 ILE CG1 C 13 27.500 0.1 . 1 . . . . 15 ILE CG1 . 7209 1 149 . 1 1 15 15 ILE CG2 C 13 17.215 0.1 . 1 . . . . 15 ILE CG2 . 7209 1 150 . 1 1 15 15 ILE CD1 C 13 11.835 0.1 . 1 . . . . 15 ILE CD1 . 7209 1 151 . 1 1 15 15 ILE N N 15 128.463 0.1 . 1 . . . . 15 ILE N . 7209 1 152 . 1 1 16 16 LYS H H 1 8.151 0.02 . 1 . . . . 16 LYS H . 7209 1 153 . 1 1 16 16 LYS HA H 1 4.043 0.02 . 1 . . . . 16 LYS HA . 7209 1 154 . 1 1 16 16 LYS HB2 H 1 1.570 0.02 . 1 . . . . 16 LYS HB2 . 7209 1 155 . 1 1 16 16 LYS HB3 H 1 1.570 0.02 . 1 . . . . 16 LYS HB3 . 7209 1 156 . 1 1 16 16 LYS HG2 H 1 1.338 0.02 . 1 . . . . 16 LYS HG2 . 7209 1 157 . 1 1 16 16 LYS HG3 H 1 1.338 0.02 . 1 . . . . 16 LYS HG3 . 7209 1 158 . 1 1 16 16 LYS HD2 H 1 1.467 0.02 . 1 . . . . 16 LYS HD2 . 7209 1 159 . 1 1 16 16 LYS HD3 H 1 1.467 0.02 . 1 . . . . 16 LYS HD3 . 7209 1 160 . 1 1 16 16 LYS HE2 H 1 2.898 0.02 . 1 . . . . 16 LYS HE2 . 7209 1 161 . 1 1 16 16 LYS HE3 H 1 2.898 0.02 . 1 . . . . 16 LYS HE3 . 7209 1 162 . 1 1 16 16 LYS C C 13 177.614 0.1 . 1 . . . . 16 LYS C . 7209 1 163 . 1 1 16 16 LYS CA C 13 56.934 0.1 . 1 . . . . 16 LYS CA . 7209 1 164 . 1 1 16 16 LYS CB C 13 32.776 0.1 . 1 . . . . 16 LYS CB . 7209 1 165 . 1 1 16 16 LYS CG C 13 25.400 0.1 . 1 . . . . 16 LYS CG . 7209 1 166 . 1 1 16 16 LYS CD C 13 29.021 0.1 . 1 . . . . 16 LYS CD . 7209 1 167 . 1 1 16 16 LYS CE C 13 41.750 0.1 . 1 . . . . 16 LYS CE . 7209 1 168 . 1 1 16 16 LYS N N 15 127.349 0.1 . 1 . . . . 16 LYS N . 7209 1 169 . 1 1 17 17 GLU H H 1 9.808 0.02 . 1 . . . . 17 GLU H . 7209 1 170 . 1 1 17 17 GLU HA H 1 4.399 0.02 . 1 . . . . 17 GLU HA . 7209 1 171 . 1 1 17 17 GLU HB2 H 1 2.077 0.02 . 1 . . . . 17 GLU HB2 . 7209 1 172 . 1 1 17 17 GLU HB3 H 1 2.077 0.02 . 1 . . . . 17 GLU HB3 . 7209 1 173 . 1 1 17 17 GLU HG2 H 1 2.550 0.02 . 2 . . . . 17 GLU HG2 . 7209 1 174 . 1 1 17 17 GLU HG3 H 1 2.460 0.02 . 2 . . . . 17 GLU HG3 . 7209 1 175 . 1 1 17 17 GLU C C 13 178.720 0.1 . 1 . . . . 17 GLU C . 7209 1 176 . 1 1 17 17 GLU CA C 13 55.653 0.1 . 1 . . . . 17 GLU CA . 7209 1 177 . 1 1 17 17 GLU CB C 13 30.445 0.1 . 1 . . . . 17 GLU CB . 7209 1 178 . 1 1 17 17 GLU CG C 13 37.600 0.1 . 1 . . . . 17 GLU CG . 7209 1 179 . 1 1 17 17 GLU N N 15 123.620 0.1 . 1 . . . . 17 GLU N . 7209 1 180 . 1 1 18 18 THR H H 1 8.684 0.02 . 1 . . . . 18 THR H . 7209 1 181 . 1 1 18 18 THR HA H 1 3.706 0.02 . 1 . . . . 18 THR HA . 7209 1 182 . 1 1 18 18 THR HB H 1 4.067 0.02 . 1 . . . . 18 THR HB . 7209 1 183 . 1 1 18 18 THR HG21 H 1 1.241 0.02 . 1 . . . . 18 THR HG2 . 7209 1 184 . 1 1 18 18 THR HG22 H 1 1.241 0.02 . 1 . . . . 18 THR HG2 . 7209 1 185 . 1 1 18 18 THR HG23 H 1 1.241 0.02 . 1 . . . . 18 THR HG2 . 7209 1 186 . 1 1 18 18 THR C C 13 176.142 0.1 . 1 . . . . 18 THR C . 7209 1 187 . 1 1 18 18 THR CA C 13 67.399 0.1 . 1 . . . . 18 THR CA . 7209 1 188 . 1 1 18 18 THR CB C 13 68.960 0.1 . 1 . . . . 18 THR CB . 7209 1 189 . 1 1 18 18 THR CG2 C 13 22.450 0.1 . 1 . . . . 18 THR CG2 . 7209 1 190 . 1 1 18 18 THR N N 15 119.998 0.1 . 1 . . . . 18 THR N . 7209 1 191 . 1 1 19 19 LEU H H 1 8.300 0.02 . 1 . . . . 19 LEU H . 7209 1 192 . 1 1 19 19 LEU HA H 1 4.200 0.02 . 1 . . . . 19 LEU HA . 7209 1 193 . 1 1 19 19 LEU HB2 H 1 1.907 0.02 . 2 . . . . 19 LEU HB2 . 7209 1 194 . 1 1 19 19 LEU HB3 H 1 1.736 0.02 . 2 . . . . 19 LEU HB3 . 7209 1 195 . 1 1 19 19 LEU HG H 1 1.240 0.02 . 1 . . . . 19 LEU HG . 7209 1 196 . 1 1 19 19 LEU HD11 H 1 0.270 0.02 . 2 . . . . 19 LEU HD1 . 7209 1 197 . 1 1 19 19 LEU HD12 H 1 0.270 0.02 . 2 . . . . 19 LEU HD1 . 7209 1 198 . 1 1 19 19 LEU HD13 H 1 0.270 0.02 . 2 . . . . 19 LEU HD1 . 7209 1 199 . 1 1 19 19 LEU HD21 H 1 0.658 0.02 . 2 . . . . 19 LEU HD2 . 7209 1 200 . 1 1 19 19 LEU HD22 H 1 0.658 0.02 . 2 . . . . 19 LEU HD2 . 7209 1 201 . 1 1 19 19 LEU HD23 H 1 0.658 0.02 . 2 . . . . 19 LEU HD2 . 7209 1 202 . 1 1 19 19 LEU C C 13 178.189 0.1 . 1 . . . . 19 LEU C . 7209 1 203 . 1 1 19 19 LEU CA C 13 56.530 0.1 . 1 . . . . 19 LEU CA . 7209 1 204 . 1 1 19 19 LEU CB C 13 41.144 0.1 . 1 . . . . 19 LEU CB . 7209 1 205 . 1 1 19 19 LEU CG C 13 27.359 0.1 . 1 . . . . 19 LEU CG . 7209 1 206 . 1 1 19 19 LEU CD1 C 13 22.015 0.1 . 2 . . . . 19 LEU CD1 . 7209 1 207 . 1 1 19 19 LEU CD2 C 13 26.285 0.1 . 2 . . . . 19 LEU CD2 . 7209 1 208 . 1 1 19 19 LEU N N 15 115.200 0.1 . 1 . . . . 19 LEU N . 7209 1 209 . 1 1 20 20 GLU H H 1 7.813 0.02 . 1 . . . . 20 GLU H . 7209 1 210 . 1 1 20 20 GLU HA H 1 4.698 0.02 . 1 . . . . 20 GLU HA . 7209 1 211 . 1 1 20 20 GLU HB2 H 1 2.107 0.02 . 2 . . . . 20 GLU HB2 . 7209 1 212 . 1 1 20 20 GLU HB3 H 1 2.078 0.02 . 2 . . . . 20 GLU HB3 . 7209 1 213 . 1 1 20 20 GLU HG2 H 1 2.215 0.02 . 1 . . . . 20 GLU HG2 . 7209 1 214 . 1 1 20 20 GLU HG3 H 1 2.215 0.02 . 1 . . . . 20 GLU HG3 . 7209 1 215 . 1 1 20 20 GLU C C 13 176.236 0.1 . 1 . . . . 20 GLU C . 7209 1 216 . 1 1 20 20 GLU CA C 13 57.021 0.1 . 1 . . . . 20 GLU CA . 7209 1 217 . 1 1 20 20 GLU CB C 13 29.827 0.1 . 1 . . . . 20 GLU CB . 7209 1 218 . 1 1 20 20 GLU CG C 13 36.570 0.1 . 1 . . . . 20 GLU CG . 7209 1 219 . 1 1 20 20 GLU N N 15 117.244 0.1 . 1 . . . . 20 GLU N . 7209 1 220 . 1 1 21 21 LYS H H 1 7.355 0.02 . 1 . . . . 21 LYS H . 7209 1 221 . 1 1 21 21 LYS HA H 1 4.043 0.02 . 1 . . . . 21 LYS HA . 7209 1 222 . 1 1 21 21 LYS HB2 H 1 1.366 0.02 . 2 . . . . 21 LYS HB2 . 7209 1 223 . 1 1 21 21 LYS HB3 H 1 1.352 0.02 . 2 . . . . 21 LYS HB3 . 7209 1 224 . 1 1 21 21 LYS HG2 H 1 1.081 0.02 . 2 . . . . 21 LYS HG2 . 7209 1 225 . 1 1 21 21 LYS HG3 H 1 0.970 0.02 . 2 . . . . 21 LYS HG3 . 7209 1 226 . 1 1 21 21 LYS HD2 H 1 1.463 0.02 . 1 . . . . 21 LYS HD2 . 7209 1 227 . 1 1 21 21 LYS HD3 H 1 1.463 0.02 . 1 . . . . 21 LYS HD3 . 7209 1 228 . 1 1 21 21 LYS HE2 H 1 2.770 0.02 . 1 . . . . 21 LYS HE2 . 7209 1 229 . 1 1 21 21 LYS HE3 H 1 2.770 0.02 . 1 . . . . 21 LYS HE3 . 7209 1 230 . 1 1 21 21 LYS C C 13 175.775 0.1 . 1 . . . . 21 LYS C . 7209 1 231 . 1 1 21 21 LYS CA C 13 56.460 0.1 . 1 . . . . 21 LYS CA . 7209 1 232 . 1 1 21 21 LYS CB C 13 31.756 0.1 . 1 . . . . 21 LYS CB . 7209 1 233 . 1 1 21 21 LYS CG C 13 24.353 0.1 . 1 . . . . 21 LYS CG . 7209 1 234 . 1 1 21 21 LYS CD C 13 29.003 0.1 . 1 . . . . 21 LYS CD . 7209 1 235 . 1 1 21 21 LYS CE C 13 41.959 0.1 . 1 . . . . 21 LYS CE . 7209 1 236 . 1 1 21 21 LYS N N 15 115.974 0.1 . 1 . . . . 21 LYS N . 7209 1 237 . 1 1 22 22 PHE H H 1 6.593 0.02 . 1 . . . . 22 PHE H . 7209 1 238 . 1 1 22 22 PHE HA H 1 4.812 0.02 . 1 . . . . 22 PHE HA . 7209 1 239 . 1 1 22 22 PHE HB2 H 1 2.605 0.02 . 2 . . . . 22 PHE HB2 . 7209 1 240 . 1 1 22 22 PHE HB3 H 1 3.203 0.02 . 2 . . . . 22 PHE HB3 . 7209 1 241 . 1 1 22 22 PHE HD1 H 1 7.115 0.02 . 1 . . . . 22 PHE HD . 7209 1 242 . 1 1 22 22 PHE HD2 H 1 7.115 0.02 . 1 . . . . 22 PHE HD . 7209 1 243 . 1 1 22 22 PHE HE1 H 1 7.363 0.02 . 1 . . . . 22 PHE HE . 7209 1 244 . 1 1 22 22 PHE HE2 H 1 7.363 0.02 . 1 . . . . 22 PHE HE . 7209 1 245 . 1 1 22 22 PHE C C 13 174.147 0.1 . 1 . . . . 22 PHE C . 7209 1 246 . 1 1 22 22 PHE CA C 13 55.267 0.1 . 1 . . . . 22 PHE CA . 7209 1 247 . 1 1 22 22 PHE CB C 13 41.915 0.1 . 1 . . . . 22 PHE CB . 7209 1 248 . 1 1 22 22 PHE N N 15 117.054 0.1 . 1 . . . . 22 PHE N . 7209 1 249 . 1 1 23 23 SER H H 1 8.594 0.02 . 1 . . . . 23 SER H . 7209 1 250 . 1 1 23 23 SER HA H 1 4.485 0.02 . 1 . . . . 23 SER HA . 7209 1 251 . 1 1 23 23 SER HB2 H 1 3.986 0.02 . 1 . . . . 23 SER HB2 . 7209 1 252 . 1 1 23 23 SER HB3 H 1 3.986 0.02 . 1 . . . . 23 SER HB3 . 7209 1 253 . 1 1 23 23 SER C C 13 177.023 0.1 . 1 . . . . 23 SER C . 7209 1 254 . 1 1 23 23 SER CA C 13 57.442 0.1 . 1 . . . . 23 SER CA . 7209 1 255 . 1 1 23 23 SER CB C 13 63.814 0.1 . 1 . . . . 23 SER CB . 7209 1 256 . 1 1 23 23 SER N N 15 113.876 0.1 . 1 . . . . 23 SER N . 7209 1 257 . 1 1 24 24 LEU H H 1 8.883 0.02 . 1 . . . . 24 LEU H . 7209 1 258 . 1 1 24 24 LEU HA H 1 4.058 0.02 . 1 . . . . 24 LEU HA . 7209 1 259 . 1 1 24 24 LEU HB2 H 1 1.680 0.02 . 1 . . . . 24 LEU HB2 . 7209 1 260 . 1 1 24 24 LEU HB3 H 1 1.680 0.02 . 1 . . . . 24 LEU HB3 . 7209 1 261 . 1 1 24 24 LEU HG H 1 1.827 0.02 . 1 . . . . 24 LEU HG . 7209 1 262 . 1 1 24 24 LEU HD11 H 1 0.825 0.02 . 2 . . . . 24 LEU HD1 . 7209 1 263 . 1 1 24 24 LEU HD12 H 1 0.825 0.02 . 2 . . . . 24 LEU HD1 . 7209 1 264 . 1 1 24 24 LEU HD13 H 1 0.825 0.02 . 2 . . . . 24 LEU HD1 . 7209 1 265 . 1 1 24 24 LEU HD21 H 1 0.890 0.02 . 2 . . . . 24 LEU HD2 . 7209 1 266 . 1 1 24 24 LEU HD22 H 1 0.890 0.02 . 2 . . . . 24 LEU HD2 . 7209 1 267 . 1 1 24 24 LEU HD23 H 1 0.890 0.02 . 2 . . . . 24 LEU HD2 . 7209 1 268 . 1 1 24 24 LEU C C 13 178.642 0.1 . 1 . . . . 24 LEU C . 7209 1 269 . 1 1 24 24 LEU CA C 13 58.357 0.1 . 1 . . . . 24 LEU CA . 7209 1 270 . 1 1 24 24 LEU CB C 13 42.513 0.1 . 1 . . . . 24 LEU CB . 7209 1 271 . 1 1 24 24 LEU CG C 13 27.240 0.1 . 1 . . . . 24 LEU CG . 7209 1 272 . 1 1 24 24 LEU CD1 C 13 24.566 0.1 . 2 . . . . 24 LEU CD1 . 7209 1 273 . 1 1 24 24 LEU CD2 C 13 25.683 0.1 . 2 . . . . 24 LEU CD2 . 7209 1 274 . 1 1 24 24 LEU N N 15 126.800 0.1 . 1 . . . . 24 LEU N . 7209 1 275 . 1 1 25 25 GLU H H 1 8.584 0.02 . 1 . . . . 25 GLU H . 7209 1 276 . 1 1 25 25 GLU HA H 1 4.214 0.02 . 1 . . . . 25 GLU HA . 7209 1 277 . 1 1 25 25 GLU HB2 H 1 2.050 0.02 . 1 . . . . 25 GLU HB2 . 7209 1 278 . 1 1 25 25 GLU HB3 H 1 2.050 0.02 . 1 . . . . 25 GLU HB3 . 7209 1 279 . 1 1 25 25 GLU HG2 H 1 2.330 0.02 . 1 . . . . 25 GLU HG2 . 7209 1 280 . 1 1 25 25 GLU HG3 H 1 2.330 0.02 . 1 . . . . 25 GLU HG3 . 7209 1 281 . 1 1 25 25 GLU C C 13 176.969 0.1 . 1 . . . . 25 GLU C . 7209 1 282 . 1 1 25 25 GLU CA C 13 58.565 0.1 . 1 . . . . 25 GLU CA . 7209 1 283 . 1 1 25 25 GLU CB C 13 29.012 0.1 . 1 . . . . 25 GLU CB . 7209 1 284 . 1 1 25 25 GLU CG C 13 36.660 0.1 . 1 . . . . 25 GLU CG . 7209 1 285 . 1 1 25 25 GLU N N 15 113.300 0.1 . 1 . . . . 25 GLU N . 7209 1 286 . 1 1 26 26 ASN H H 1 7.861 0.02 . 1 . . . . 26 ASN H . 7209 1 287 . 1 1 26 26 ASN HA H 1 5.093 0.02 . 1 . . . . 26 ASN HA . 7209 1 288 . 1 1 26 26 ASN HB2 H 1 2.748 0.02 . 2 . . . . 26 ASN HB2 . 7209 1 289 . 1 1 26 26 ASN HB3 H 1 3.246 0.02 . 2 . . . . 26 ASN HB3 . 7209 1 290 . 1 1 26 26 ASN HD21 H 1 7.078 0.02 . 1 . . . . 26 ASN HD21 . 7209 1 291 . 1 1 26 26 ASN HD22 H 1 7.730 0.02 . 1 . . . . 26 ASN HD22 . 7209 1 292 . 1 1 26 26 ASN C C 13 173.740 0.1 . 1 . . . . 26 ASN C . 7209 1 293 . 1 1 26 26 ASN CA C 13 52.671 0.1 . 1 . . . . 26 ASN CA . 7209 1 294 . 1 1 26 26 ASN CB C 13 39.812 0.1 . 1 . . . . 26 ASN CB . 7209 1 295 . 1 1 26 26 ASN N N 15 116.873 0.1 . 1 . . . . 26 ASN N . 7209 1 296 . 1 1 26 26 ASN ND2 N 15 112.160 0.1 . 1 . . . . 26 ASN ND2 . 7209 1 297 . 1 1 27 27 MET H H 1 7.583 0.02 . 1 . . . . 27 MET H . 7209 1 298 . 1 1 27 27 MET HA H 1 5.197 0.02 . 1 . . . . 27 MET HA . 7209 1 299 . 1 1 27 27 MET HB2 H 1 1.765 0.02 . 2 . . . . 27 MET HB2 . 7209 1 300 . 1 1 27 27 MET HB3 H 1 2.064 0.02 . 2 . . . . 27 MET HB3 . 7209 1 301 . 1 1 27 27 MET HG2 H 1 2.486 0.02 . 1 . . . . 27 MET HG2 . 7209 1 302 . 1 1 27 27 MET HG3 H 1 2.486 0.02 . 1 . . . . 27 MET HG3 . 7209 1 303 . 1 1 27 27 MET HE1 H 1 2.071 0.02 . 1 . . . . 27 MET HE . 7209 1 304 . 1 1 27 27 MET HE2 H 1 2.071 0.02 . 1 . . . . 27 MET HE . 7209 1 305 . 1 1 27 27 MET HE3 H 1 2.071 0.02 . 1 . . . . 27 MET HE . 7209 1 306 . 1 1 27 27 MET C C 13 174.581 0.1 . 1 . . . . 27 MET C . 7209 1 307 . 1 1 27 27 MET CA C 13 55.267 0.1 . 1 . . . . 27 MET CA . 7209 1 308 . 1 1 27 27 MET CB C 13 36.362 0.1 . 1 . . . . 27 MET CB . 7209 1 309 . 1 1 27 27 MET CG C 13 32.258 0.1 . 1 . . . . 27 MET CG . 7209 1 310 . 1 1 27 27 MET CE C 13 17.666 0.1 . 1 . . . . 27 MET CE . 7209 1 311 . 1 1 27 27 MET N N 15 117.727 0.1 . 1 . . . . 27 MET N . 7209 1 312 . 1 1 28 28 ARG H H 1 8.454 0.02 . 1 . . . . 28 ARG H . 7209 1 313 . 1 1 28 28 ARG HA H 1 4.827 0.02 . 1 . . . . 28 ARG HA . 7209 1 314 . 1 1 28 28 ARG HB2 H 1 1.716 0.02 . 1 . . . . 28 ARG HB2 . 7209 1 315 . 1 1 28 28 ARG HB3 H 1 1.716 0.02 . 1 . . . . 28 ARG HB3 . 7209 1 316 . 1 1 28 28 ARG HG2 H 1 1.661 0.02 . 1 . . . . 28 ARG HG2 . 7209 1 317 . 1 1 28 28 ARG HG3 H 1 1.661 0.02 . 1 . . . . 28 ARG HG3 . 7209 1 318 . 1 1 28 28 ARG HD2 H 1 3.203 0.02 . 1 . . . . 28 ARG HD2 . 7209 1 319 . 1 1 28 28 ARG HD3 H 1 3.203 0.02 . 1 . . . . 28 ARG HD3 . 7209 1 320 . 1 1 28 28 ARG C C 13 174.704 0.1 . 1 . . . . 28 ARG C . 7209 1 321 . 1 1 28 28 ARG CA C 13 54.355 0.1 . 1 . . . . 28 ARG CA . 7209 1 322 . 1 1 28 28 ARG CB C 13 34.199 0.1 . 1 . . . . 28 ARG CB . 7209 1 323 . 1 1 28 28 ARG CG C 13 27.089 0.1 . 1 . . . . 28 ARG CG . 7209 1 324 . 1 1 28 28 ARG CD C 13 43.320 0.1 . 1 . . . . 28 ARG CD . 7209 1 325 . 1 1 28 28 ARG N N 15 117.139 0.1 . 1 . . . . 28 ARG N . 7209 1 326 . 1 1 29 29 TYR H H 1 9.587 0.02 . 1 . . . . 29 TYR H . 7209 1 327 . 1 1 29 29 TYR HA H 1 5.396 0.02 . 1 . . . . 29 TYR HA . 7209 1 328 . 1 1 29 29 TYR HB2 H 1 2.961 0.02 . 2 . . . . 29 TYR HB2 . 7209 1 329 . 1 1 29 29 TYR HB3 H 1 2.762 0.02 . 2 . . . . 29 TYR HB3 . 7209 1 330 . 1 1 29 29 TYR HD1 H 1 7.160 0.02 . 1 . . . . 29 TYR HD . 7209 1 331 . 1 1 29 29 TYR HD2 H 1 7.160 0.02 . 1 . . . . 29 TYR HD . 7209 1 332 . 1 1 29 29 TYR HE1 H 1 6.631 0.02 . 1 . . . . 29 TYR HE . 7209 1 333 . 1 1 29 29 TYR HE2 H 1 6.631 0.02 . 1 . . . . 29 TYR HE . 7209 1 334 . 1 1 29 29 TYR C C 13 175.349 0.1 . 1 . . . . 29 TYR C . 7209 1 335 . 1 1 29 29 TYR CA C 13 54.941 0.1 . 1 . . . . 29 TYR CA . 7209 1 336 . 1 1 29 29 TYR CB C 13 38.012 0.1 . 1 . . . . 29 TYR CB . 7209 1 337 . 1 1 29 29 TYR N N 15 127.344 0.1 . 1 . . . . 29 TYR N . 7209 1 338 . 1 1 30 30 VAL H H 1 8.659 0.02 . 1 . . . . 30 VAL H . 7209 1 339 . 1 1 30 30 VAL HA H 1 4.662 0.02 . 1 . . . . 30 VAL HA . 7209 1 340 . 1 1 30 30 VAL HB H 1 2.450 0.02 . 1 . . . . 30 VAL HB . 7209 1 341 . 1 1 30 30 VAL HG11 H 1 0.877 0.02 . 2 . . . . 30 VAL HG1 . 7209 1 342 . 1 1 30 30 VAL HG12 H 1 0.877 0.02 . 2 . . . . 30 VAL HG1 . 7209 1 343 . 1 1 30 30 VAL HG13 H 1 0.877 0.02 . 2 . . . . 30 VAL HG1 . 7209 1 344 . 1 1 30 30 VAL HG21 H 1 0.734 0.02 . 2 . . . . 30 VAL HG2 . 7209 1 345 . 1 1 30 30 VAL HG22 H 1 0.734 0.02 . 2 . . . . 30 VAL HG2 . 7209 1 346 . 1 1 30 30 VAL HG23 H 1 0.734 0.02 . 2 . . . . 30 VAL HG2 . 7209 1 347 . 1 1 30 30 VAL C C 13 176.426 0.1 . 1 . . . . 30 VAL C . 7209 1 348 . 1 1 30 30 VAL CA C 13 61.232 0.1 . 1 . . . . 30 VAL CA . 7209 1 349 . 1 1 30 30 VAL CB C 13 33.062 0.1 . 1 . . . . 30 VAL CB . 7209 1 350 . 1 1 30 30 VAL CG1 C 13 21.770 0.1 . 2 . . . . 30 VAL CG1 . 7209 1 351 . 1 1 30 30 VAL CG2 C 13 18.700 0.1 . 2 . . . . 30 VAL CG2 . 7209 1 352 . 1 1 30 30 VAL N N 15 118.372 0.1 . 1 . . . . 30 VAL N . 7209 1 353 . 1 1 31 31 GLY H H 1 6.839 0.02 . 1 . . . . 31 GLY H . 7209 1 354 . 1 1 31 31 GLY HA2 H 1 3.740 0.02 . 2 . . . . 31 GLY HA2 . 7209 1 355 . 1 1 31 31 GLY HA3 H 1 4.421 0.02 . 2 . . . . 31 GLY HA3 . 7209 1 356 . 1 1 31 31 GLY C C 13 169.182 0.1 . 1 . . . . 31 GLY C . 7209 1 357 . 1 1 31 31 GLY CA C 13 46.145 0.1 . 1 . . . . 31 GLY CA . 7209 1 358 . 1 1 31 31 GLY N N 15 108.195 0.1 . 1 . . . . 31 GLY N . 7209 1 359 . 1 1 32 32 ILE H H 1 8.382 0.02 . 1 . . . . 32 ILE H . 7209 1 360 . 1 1 32 32 ILE HA H 1 5.016 0.02 . 1 . . . . 32 ILE HA . 7209 1 361 . 1 1 32 32 ILE HB H 1 1.997 0.02 . 1 . . . . 32 ILE HB . 7209 1 362 . 1 1 32 32 ILE HG12 H 1 1.645 0.02 . 1 . . . . 32 ILE HG12 . 7209 1 363 . 1 1 32 32 ILE HG13 H 1 1.645 0.02 . 1 . . . . 32 ILE HG13 . 7209 1 364 . 1 1 32 32 ILE HG21 H 1 0.888 0.02 . 1 . . . . 32 ILE HG2 . 7209 1 365 . 1 1 32 32 ILE HG22 H 1 0.888 0.02 . 1 . . . . 32 ILE HG2 . 7209 1 366 . 1 1 32 32 ILE HG23 H 1 0.888 0.02 . 1 . . . . 32 ILE HG2 . 7209 1 367 . 1 1 32 32 ILE HD11 H 1 0.640 0.02 . 1 . . . . 32 ILE HD1 . 7209 1 368 . 1 1 32 32 ILE HD12 H 1 0.640 0.02 . 1 . . . . 32 ILE HD1 . 7209 1 369 . 1 1 32 32 ILE HD13 H 1 0.640 0.02 . 1 . . . . 32 ILE HD1 . 7209 1 370 . 1 1 32 32 ILE C C 13 173.081 0.1 . 1 . . . . 32 ILE C . 7209 1 371 . 1 1 32 32 ILE CA C 13 59.733 0.1 . 1 . . . . 32 ILE CA . 7209 1 372 . 1 1 32 32 ILE CB C 13 41.321 0.1 . 1 . . . . 32 ILE CB . 7209 1 373 . 1 1 32 32 ILE CG1 C 13 27.166 0.1 . 1 . . . . 32 ILE CG1 . 7209 1 374 . 1 1 32 32 ILE CG2 C 13 15.081 0.1 . 1 . . . . 32 ILE CG2 . 7209 1 375 . 1 1 32 32 ILE CD1 C 13 13.900 0.1 . 1 . . . . 32 ILE CD1 . 7209 1 376 . 1 1 32 32 ILE N N 15 120.284 0.1 . 1 . . . . 32 ILE N . 7209 1 377 . 1 1 33 33 LEU H H 1 8.666 0.02 . 1 . . . . 33 LEU H . 7209 1 378 . 1 1 33 33 LEU HA H 1 4.648 0.02 . 1 . . . . 33 LEU HA . 7209 1 379 . 1 1 33 33 LEU HB2 H 1 1.288 0.02 . 2 . . . . 33 LEU HB2 . 7209 1 380 . 1 1 33 33 LEU HB3 H 1 1.515 0.02 . 2 . . . . 33 LEU HB3 . 7209 1 381 . 1 1 33 33 LEU HG H 1 1.774 0.02 . 1 . . . . 33 LEU HG . 7209 1 382 . 1 1 33 33 LEU HD11 H 1 0.877 0.02 . 2 . . . . 33 LEU HD1 . 7209 1 383 . 1 1 33 33 LEU HD12 H 1 0.877 0.02 . 2 . . . . 33 LEU HD1 . 7209 1 384 . 1 1 33 33 LEU HD13 H 1 0.877 0.02 . 2 . . . . 33 LEU HD1 . 7209 1 385 . 1 1 33 33 LEU HD21 H 1 0.955 0.02 . 2 . . . . 33 LEU HD2 . 7209 1 386 . 1 1 33 33 LEU HD22 H 1 0.955 0.02 . 2 . . . . 33 LEU HD2 . 7209 1 387 . 1 1 33 33 LEU HD23 H 1 0.955 0.02 . 2 . . . . 33 LEU HD2 . 7209 1 388 . 1 1 33 33 LEU C C 13 175.245 0.1 . 1 . . . . 33 LEU C . 7209 1 389 . 1 1 33 33 LEU CA C 13 54.324 0.1 . 1 . . . . 33 LEU CA . 7209 1 390 . 1 1 33 33 LEU CB C 13 45.076 0.1 . 1 . . . . 33 LEU CB . 7209 1 391 . 1 1 33 33 LEU CG C 13 28.100 0.1 . 1 . . . . 33 LEU CG . 7209 1 392 . 1 1 33 33 LEU N N 15 128.190 0.1 . 1 . . . . 33 LEU N . 7209 1 393 . 1 1 34 34 LYS H H 1 8.900 0.02 . 1 . . . . 34 LYS H . 7209 1 394 . 1 1 34 34 LYS HA H 1 4.860 0.02 . 1 . . . . 34 LYS HA . 7209 1 395 . 1 1 34 34 LYS HB2 H 1 1.883 0.02 . 2 . . . . 34 LYS HB2 . 7209 1 396 . 1 1 34 34 LYS HB3 H 1 1.727 0.02 . 2 . . . . 34 LYS HB3 . 7209 1 397 . 1 1 34 34 LYS HG2 H 1 1.345 0.02 . 1 . . . . 34 LYS HG2 . 7209 1 398 . 1 1 34 34 LYS HG3 H 1 1.345 0.02 . 1 . . . . 34 LYS HG3 . 7209 1 399 . 1 1 34 34 LYS HD2 H 1 1.761 0.02 . 1 . . . . 34 LYS HD2 . 7209 1 400 . 1 1 34 34 LYS HD3 H 1 1.761 0.02 . 1 . . . . 34 LYS HD3 . 7209 1 401 . 1 1 34 34 LYS HE2 H 1 3.001 0.02 . 1 . . . . 34 LYS HE2 . 7209 1 402 . 1 1 34 34 LYS HE3 H 1 3.001 0.02 . 1 . . . . 34 LYS HE3 . 7209 1 403 . 1 1 34 34 LYS C C 13 175.732 0.1 . 1 . . . . 34 LYS C . 7209 1 404 . 1 1 34 34 LYS CA C 13 55.560 0.1 . 1 . . . . 34 LYS CA . 7209 1 405 . 1 1 34 34 LYS CB C 13 33.419 0.1 . 1 . . . . 34 LYS CB . 7209 1 406 . 1 1 34 34 LYS CG C 13 25.125 0.1 . 1 . . . . 34 LYS CG . 7209 1 407 . 1 1 34 34 LYS CD C 13 29.314 0.1 . 1 . . . . 34 LYS CD . 7209 1 408 . 1 1 34 34 LYS CE C 13 41.746 0.1 . 1 . . . . 34 LYS CE . 7209 1 409 . 1 1 34 34 LYS N N 15 127.045 0.1 . 1 . . . . 34 LYS N . 7209 1 410 . 1 1 35 35 SER H H 1 8.173 0.02 . 1 . . . . 35 SER H . 7209 1 411 . 1 1 35 35 SER HA H 1 3.850 0.02 . 1 . . . . 35 SER HA . 7209 1 412 . 1 1 35 35 SER HB2 H 1 3.770 0.02 . 1 . . . . 35 SER HB2 . 7209 1 413 . 1 1 35 35 SER HB3 H 1 3.770 0.02 . 1 . . . . 35 SER HB3 . 7209 1 414 . 1 1 35 35 SER C C 13 174.974 0.1 . 1 . . . . 35 SER C . 7209 1 415 . 1 1 35 35 SER CA C 13 56.634 0.1 . 1 . . . . 35 SER CA . 7209 1 416 . 1 1 35 35 SER CB C 13 63.664 0.1 . 1 . . . . 35 SER CB . 7209 1 417 . 1 1 35 35 SER N N 15 118.422 0.1 . 1 . . . . 35 SER N . 7209 1 418 . 1 1 36 36 GLY H H 1 8.876 0.02 . 1 . . . . 36 GLY H . 7209 1 419 . 1 1 36 36 GLY HA2 H 1 3.790 0.02 . 2 . . . . 36 GLY HA2 . 7209 1 420 . 1 1 36 36 GLY HA3 H 1 4.026 0.02 . 2 . . . . 36 GLY HA3 . 7209 1 421 . 1 1 36 36 GLY C C 13 174.805 0.1 . 1 . . . . 36 GLY C . 7209 1 422 . 1 1 36 36 GLY CA C 13 46.680 0.1 . 1 . . . . 36 GLY CA . 7209 1 423 . 1 1 36 36 GLY N N 15 115.535 0.1 . 1 . . . . 36 GLY N . 7209 1 424 . 1 1 37 37 GLN H H 1 8.801 0.02 . 1 . . . . 37 GLN H . 7209 1 425 . 1 1 37 37 GLN HA H 1 4.300 0.02 . 1 . . . . 37 GLN HA . 7209 1 426 . 1 1 37 37 GLN HB2 H 1 2.290 0.02 . 2 . . . . 37 GLN HB2 . 7209 1 427 . 1 1 37 37 GLN HB3 H 1 2.000 0.02 . 2 . . . . 37 GLN HB3 . 7209 1 428 . 1 1 37 37 GLN HG2 H 1 2.390 0.02 . 1 . . . . 37 GLN HG2 . 7209 1 429 . 1 1 37 37 GLN HG3 H 1 2.390 0.02 . 1 . . . . 37 GLN HG3 . 7209 1 430 . 1 1 37 37 GLN C C 13 175.633 0.1 . 1 . . . . 37 GLN C . 7209 1 431 . 1 1 37 37 GLN CA C 13 56.495 0.1 . 1 . . . . 37 GLN CA . 7209 1 432 . 1 1 37 37 GLN CB C 13 29.012 0.1 . 1 . . . . 37 GLN CB . 7209 1 433 . 1 1 37 37 GLN CG C 13 33.760 0.1 . 1 . . . . 37 GLN CG . 7209 1 434 . 1 1 37 37 GLN N N 15 122.701 0.1 . 1 . . . . 37 GLN N . 7209 1 435 . 1 1 38 38 LYS H H 1 7.928 0.02 . 1 . . . . 38 LYS H . 7209 1 436 . 1 1 38 38 LYS HA H 1 4.563 0.02 . 1 . . . . 38 LYS HA . 7209 1 437 . 1 1 38 38 LYS HB2 H 1 1.869 0.02 . 1 . . . . 38 LYS HB2 . 7209 1 438 . 1 1 38 38 LYS HB3 H 1 1.869 0.02 . 1 . . . . 38 LYS HB3 . 7209 1 439 . 1 1 38 38 LYS HG2 H 1 1.423 0.02 . 1 . . . . 38 LYS HG2 . 7209 1 440 . 1 1 38 38 LYS HG3 H 1 1.423 0.02 . 1 . . . . 38 LYS HG3 . 7209 1 441 . 1 1 38 38 LYS HD2 H 1 1.700 0.02 . 1 . . . . 38 LYS HD2 . 7209 1 442 . 1 1 38 38 LYS HD3 H 1 1.700 0.02 . 1 . . . . 38 LYS HD3 . 7209 1 443 . 1 1 38 38 LYS HE2 H 1 3.000 0.02 . 1 . . . . 38 LYS HE2 . 7209 1 444 . 1 1 38 38 LYS HE3 H 1 3.000 0.02 . 1 . . . . 38 LYS HE3 . 7209 1 445 . 1 1 38 38 LYS C C 13 175.481 0.1 . 1 . . . . 38 LYS C . 7209 1 446 . 1 1 38 38 LYS CA C 13 55.801 0.1 . 1 . . . . 38 LYS CA . 7209 1 447 . 1 1 38 38 LYS CB C 13 34.112 0.1 . 1 . . . . 38 LYS CB . 7209 1 448 . 1 1 38 38 LYS CG C 13 24.566 0.1 . 1 . . . . 38 LYS CG . 7209 1 449 . 1 1 38 38 LYS CD C 13 28.760 0.1 . 1 . . . . 38 LYS CD . 7209 1 450 . 1 1 38 38 LYS CE C 13 41.880 0.1 . 1 . . . . 38 LYS CE . 7209 1 451 . 1 1 38 38 LYS N N 15 120.283 0.1 . 1 . . . . 38 LYS N . 7209 1 452 . 1 1 39 39 VAL H H 1 8.230 0.02 . 1 . . . . 39 VAL H . 7209 1 453 . 1 1 39 39 VAL HA H 1 4.747 0.02 . 1 . . . . 39 VAL HA . 7209 1 454 . 1 1 39 39 VAL HB H 1 1.940 0.02 . 1 . . . . 39 VAL HB . 7209 1 455 . 1 1 39 39 VAL HG11 H 1 0.942 0.02 . 1 . . . . 39 VAL HG1 . 7209 1 456 . 1 1 39 39 VAL HG12 H 1 0.942 0.02 . 1 . . . . 39 VAL HG1 . 7209 1 457 . 1 1 39 39 VAL HG13 H 1 0.942 0.02 . 1 . . . . 39 VAL HG1 . 7209 1 458 . 1 1 39 39 VAL HG21 H 1 0.942 0.02 . 1 . . . . 39 VAL HG2 . 7209 1 459 . 1 1 39 39 VAL HG22 H 1 0.942 0.02 . 1 . . . . 39 VAL HG2 . 7209 1 460 . 1 1 39 39 VAL HG23 H 1 0.942 0.02 . 1 . . . . 39 VAL HG2 . 7209 1 461 . 1 1 39 39 VAL C C 13 174.907 0.1 . 1 . . . . 39 VAL C . 7209 1 462 . 1 1 39 39 VAL CA C 13 61.768 0.1 . 1 . . . . 39 VAL CA . 7209 1 463 . 1 1 39 39 VAL CB C 13 33.720 0.1 . 1 . . . . 39 VAL CB . 7209 1 464 . 1 1 39 39 VAL CG1 C 13 21.330 0.1 . 1 . . . . 39 VAL CG1 . 7209 1 465 . 1 1 39 39 VAL CG2 C 13 21.330 0.1 . 1 . . . . 39 VAL CG2 . 7209 1 466 . 1 1 39 39 VAL N N 15 123.883 0.1 . 1 . . . . 39 VAL N . 7209 1 467 . 1 1 40 40 SER H H 1 8.767 0.02 . 1 . . . . 40 SER H . 7209 1 468 . 1 1 40 40 SER HA H 1 5.186 0.02 . 1 . . . . 40 SER HA . 7209 1 469 . 1 1 40 40 SER HB2 H 1 3.755 0.02 . 2 . . . . 40 SER HB2 . 7209 1 470 . 1 1 40 40 SER HB3 H 1 3.485 0.02 . 2 . . . . 40 SER HB3 . 7209 1 471 . 1 1 40 40 SER C C 13 171.768 0.1 . 1 . . . . 40 SER C . 7209 1 472 . 1 1 40 40 SER CA C 13 57.029 0.1 . 1 . . . . 40 SER CA . 7209 1 473 . 1 1 40 40 SER CB C 13 65.792 0.1 . 1 . . . . 40 SER CB . 7209 1 474 . 1 1 40 40 SER N N 15 121.339 0.1 . 1 . . . . 40 SER N . 7209 1 475 . 1 1 41 41 GLY H H 1 9.117 0.02 . 1 . . . . 41 GLY H . 7209 1 476 . 1 1 41 41 GLY HA2 H 1 5.045 0.02 . 2 . . . . 41 GLY HA2 . 7209 1 477 . 1 1 41 41 GLY HA3 H 1 3.244 0.02 . 2 . . . . 41 GLY HA3 . 7209 1 478 . 1 1 41 41 GLY C C 13 170.946 0.1 . 1 . . . . 41 GLY C . 7209 1 479 . 1 1 41 41 GLY CA C 13 43.548 0.1 . 1 . . . . 41 GLY CA . 7209 1 480 . 1 1 41 41 GLY N N 15 108.124 0.1 . 1 . . . . 41 GLY N . 7209 1 481 . 1 1 42 42 PHE H H 1 8.775 0.02 . 1 . . . . 42 PHE H . 7209 1 482 . 1 1 42 42 PHE HA H 1 5.838 0.02 . 1 . . . . 42 PHE HA . 7209 1 483 . 1 1 42 42 PHE HB2 H 1 2.720 0.02 . 1 . . . . 42 PHE HB2 . 7209 1 484 . 1 1 42 42 PHE HB3 H 1 2.720 0.02 . 1 . . . . 42 PHE HB3 . 7209 1 485 . 1 1 42 42 PHE HD1 H 1 6.960 0.02 . 1 . . . . 42 PHE HD . 7209 1 486 . 1 1 42 42 PHE HD2 H 1 6.960 0.02 . 1 . . . . 42 PHE HD . 7209 1 487 . 1 1 42 42 PHE HE1 H 1 7.213 0.02 . 1 . . . . 42 PHE HE . 7209 1 488 . 1 1 42 42 PHE HE2 H 1 7.213 0.02 . 1 . . . . 42 PHE HE . 7209 1 489 . 1 1 42 42 PHE HZ H 1 7.160 0.02 . 1 . . . . 42 PHE HZ . 7209 1 490 . 1 1 42 42 PHE C C 13 175.504 0.1 . 1 . . . . 42 PHE C . 7209 1 491 . 1 1 42 42 PHE CA C 13 55.969 0.1 . 1 . . . . 42 PHE CA . 7209 1 492 . 1 1 42 42 PHE CB C 13 40.758 0.1 . 1 . . . . 42 PHE CB . 7209 1 493 . 1 1 42 42 PHE N N 15 119.271 0.1 . 1 . . . . 42 PHE N . 7209 1 494 . 1 1 43 43 ILE H H 1 9.380 0.02 . 1 . . . . 43 ILE H . 7209 1 495 . 1 1 43 43 ILE HA H 1 5.342 0.02 . 1 . . . . 43 ILE HA . 7209 1 496 . 1 1 43 43 ILE HB H 1 1.883 0.02 . 1 . . . . 43 ILE HB . 7209 1 497 . 1 1 43 43 ILE HG12 H 1 1.293 0.02 . 1 . . . . 43 ILE HG12 . 7209 1 498 . 1 1 43 43 ILE HG13 H 1 1.293 0.02 . 1 . . . . 43 ILE HG13 . 7209 1 499 . 1 1 43 43 ILE HG21 H 1 0.926 0.02 . 1 . . . . 43 ILE HG2 . 7209 1 500 . 1 1 43 43 ILE HG22 H 1 0.926 0.02 . 1 . . . . 43 ILE HG2 . 7209 1 501 . 1 1 43 43 ILE HG23 H 1 0.926 0.02 . 1 . . . . 43 ILE HG2 . 7209 1 502 . 1 1 43 43 ILE HD11 H 1 0.714 0.02 . 1 . . . . 43 ILE HD1 . 7209 1 503 . 1 1 43 43 ILE HD12 H 1 0.714 0.02 . 1 . . . . 43 ILE HD1 . 7209 1 504 . 1 1 43 43 ILE HD13 H 1 0.714 0.02 . 1 . . . . 43 ILE HD1 . 7209 1 505 . 1 1 43 43 ILE C C 13 174.803 0.1 . 1 . . . . 43 ILE C . 7209 1 506 . 1 1 43 43 ILE CA C 13 56.981 0.1 . 1 . . . . 43 ILE CA . 7209 1 507 . 1 1 43 43 ILE CB C 13 40.674 0.1 . 1 . . . . 43 ILE CB . 7209 1 508 . 1 1 43 43 ILE CG1 C 13 27.640 0.1 . 1 . . . . 43 ILE CG1 . 7209 1 509 . 1 1 43 43 ILE CG2 C 13 18.163 0.1 . 1 . . . . 43 ILE CG2 . 7209 1 510 . 1 1 43 43 ILE CD1 C 13 18.467 0.1 . 1 . . . . 43 ILE CD1 . 7209 1 511 . 1 1 43 43 ILE N N 15 124.738 0.1 . 1 . . . . 43 ILE N . 7209 1 512 . 1 1 44 44 GLU H H 1 9.663 0.02 . 1 . . . . 44 GLU H . 7209 1 513 . 1 1 44 44 GLU HA H 1 5.427 0.02 . 1 . . . . 44 GLU HA . 7209 1 514 . 1 1 44 44 GLU HB2 H 1 1.869 0.02 . 2 . . . . 44 GLU HB2 . 7209 1 515 . 1 1 44 44 GLU HB3 H 1 2.053 0.02 . 2 . . . . 44 GLU HB3 . 7209 1 516 . 1 1 44 44 GLU HG2 H 1 1.922 0.02 . 1 . . . . 44 GLU HG2 . 7209 1 517 . 1 1 44 44 GLU HG3 H 1 1.922 0.02 . 1 . . . . 44 GLU HG3 . 7209 1 518 . 1 1 44 44 GLU C C 13 175.645 0.1 . 1 . . . . 44 GLU C . 7209 1 519 . 1 1 44 44 GLU CA C 13 54.704 0.1 . 1 . . . . 44 GLU CA . 7209 1 520 . 1 1 44 44 GLU CB C 13 32.762 0.1 . 1 . . . . 44 GLU CB . 7209 1 521 . 1 1 44 44 GLU CG C 13 34.085 0.1 . 1 . . . . 44 GLU CG . 7209 1 522 . 1 1 44 44 GLU N N 15 128.848 0.1 . 1 . . . . 44 GLU N . 7209 1 523 . 1 1 45 45 ALA H H 1 9.145 0.02 . 1 . . . . 45 ALA H . 7209 1 524 . 1 1 45 45 ALA HA H 1 4.605 0.02 . 1 . . . . 45 ALA HA . 7209 1 525 . 1 1 45 45 ALA HB1 H 1 0.754 0.02 . 1 . . . . 45 ALA HB . 7209 1 526 . 1 1 45 45 ALA HB2 H 1 0.754 0.02 . 1 . . . . 45 ALA HB . 7209 1 527 . 1 1 45 45 ALA HB3 H 1 0.754 0.02 . 1 . . . . 45 ALA HB . 7209 1 528 . 1 1 45 45 ALA C C 13 176.145 0.1 . 1 . . . . 45 ALA C . 7209 1 529 . 1 1 45 45 ALA CA C 13 52.332 0.1 . 1 . . . . 45 ALA CA . 7209 1 530 . 1 1 45 45 ALA CB C 13 20.851 0.1 . 1 . . . . 45 ALA CB . 7209 1 531 . 1 1 45 45 ALA N N 15 128.834 0.1 . 1 . . . . 45 ALA N . 7209 1 532 . 1 1 46 46 GLU H H 1 9.401 0.02 . 1 . . . . 46 GLU H . 7209 1 533 . 1 1 46 46 GLU HA H 1 3.825 0.02 . 1 . . . . 46 GLU HA . 7209 1 534 . 1 1 46 46 GLU HB2 H 1 2.337 0.02 . 2 . . . . 46 GLU HB2 . 7209 1 535 . 1 1 46 46 GLU HB3 H 1 1.898 0.02 . 2 . . . . 46 GLU HB3 . 7209 1 536 . 1 1 46 46 GLU HG2 H 1 2.192 0.02 . 1 . . . . 46 GLU HG2 . 7209 1 537 . 1 1 46 46 GLU HG3 H 1 2.192 0.02 . 1 . . . . 46 GLU HG3 . 7209 1 538 . 1 1 46 46 GLU C C 13 176.034 0.1 . 1 . . . . 46 GLU C . 7209 1 539 . 1 1 46 46 GLU CA C 13 56.949 0.1 . 1 . . . . 46 GLU CA . 7209 1 540 . 1 1 46 46 GLU CB C 13 28.085 0.1 . 1 . . . . 46 GLU CB . 7209 1 541 . 1 1 46 46 GLU CG C 13 37.092 0.1 . 1 . . . . 46 GLU CG . 7209 1 542 . 1 1 46 46 GLU N N 15 123.710 0.1 . 1 . . . . 46 GLU N . 7209 1 543 . 1 1 47 47 GLY H H 1 8.791 0.02 . 1 . . . . 47 GLY H . 7209 1 544 . 1 1 47 47 GLY HA2 H 1 3.542 0.02 . 2 . . . . 47 GLY HA2 . 7209 1 545 . 1 1 47 47 GLY HA3 H 1 4.052 0.02 . 2 . . . . 47 GLY HA3 . 7209 1 546 . 1 1 47 47 GLY C C 13 173.469 0.1 . 1 . . . . 47 GLY C . 7209 1 547 . 1 1 47 47 GLY CA C 13 45.583 0.1 . 1 . . . . 47 GLY CA . 7209 1 548 . 1 1 47 47 GLY N N 15 103.847 0.1 . 1 . . . . 47 GLY N . 7209 1 549 . 1 1 48 48 TYR H H 1 7.864 0.02 . 1 . . . . 48 TYR H . 7209 1 550 . 1 1 48 48 TYR HA H 1 4.577 0.02 . 1 . . . . 48 TYR HA . 7209 1 551 . 1 1 48 48 TYR HB2 H 1 2.805 0.02 . 1 . . . . 48 TYR HB2 . 7209 1 552 . 1 1 48 48 TYR HB3 H 1 2.805 0.02 . 1 . . . . 48 TYR HB3 . 7209 1 553 . 1 1 48 48 TYR HD1 H 1 6.894 0.02 . 1 . . . . 48 TYR HD . 7209 1 554 . 1 1 48 48 TYR HD2 H 1 6.894 0.02 . 1 . . . . 48 TYR HD . 7209 1 555 . 1 1 48 48 TYR HE1 H 1 7.612 0.02 . 1 . . . . 48 TYR HE . 7209 1 556 . 1 1 48 48 TYR HE2 H 1 7.612 0.02 . 1 . . . . 48 TYR HE . 7209 1 557 . 1 1 48 48 TYR C C 13 173.000 0.1 . 1 . . . . 48 TYR C . 7209 1 558 . 1 1 48 48 TYR CA C 13 57.076 0.1 . 1 . . . . 48 TYR CA . 7209 1 559 . 1 1 48 48 TYR CB C 13 41.463 0.1 . 1 . . . . 48 TYR CB . 7209 1 560 . 1 1 48 48 TYR N N 15 122.026 0.1 . 1 . . . . 48 TYR N . 7209 1 561 . 1 1 49 49 VAL H H 1 7.551 0.02 . 1 . . . . 49 VAL H . 7209 1 562 . 1 1 49 49 VAL HA H 1 4.733 0.02 . 1 . . . . 49 VAL HA . 7209 1 563 . 1 1 49 49 VAL HB H 1 1.657 0.02 . 1 . . . . 49 VAL HB . 7209 1 564 . 1 1 49 49 VAL HG11 H 1 0.734 0.02 . 1 . . . . 49 VAL HG1 . 7209 1 565 . 1 1 49 49 VAL HG12 H 1 0.734 0.02 . 1 . . . . 49 VAL HG1 . 7209 1 566 . 1 1 49 49 VAL HG13 H 1 0.734 0.02 . 1 . . . . 49 VAL HG1 . 7209 1 567 . 1 1 49 49 VAL HG21 H 1 0.734 0.02 . 1 . . . . 49 VAL HG2 . 7209 1 568 . 1 1 49 49 VAL HG22 H 1 0.734 0.02 . 1 . . . . 49 VAL HG2 . 7209 1 569 . 1 1 49 49 VAL HG23 H 1 0.734 0.02 . 1 . . . . 49 VAL HG2 . 7209 1 570 . 1 1 49 49 VAL C C 13 175.076 0.1 . 1 . . . . 49 VAL C . 7209 1 571 . 1 1 49 49 VAL CA C 13 61.977 0.1 . 1 . . . . 49 VAL CA . 7209 1 572 . 1 1 49 49 VAL CB C 13 32.162 0.1 . 1 . . . . 49 VAL CB . 7209 1 573 . 1 1 49 49 VAL CG1 C 13 21.730 0.1 . 1 . . . . 49 VAL CG1 . 7209 1 574 . 1 1 49 49 VAL CG2 C 13 21.730 0.1 . 1 . . . . 49 VAL CG2 . 7209 1 575 . 1 1 49 49 VAL N N 15 121.890 0.1 . 1 . . . . 49 VAL N . 7209 1 576 . 1 1 50 50 TYR H H 1 9.844 0.02 . 1 . . . . 50 TYR H . 7209 1 577 . 1 1 50 50 TYR HA H 1 4.733 0.02 . 1 . . . . 50 TYR HA . 7209 1 578 . 1 1 50 50 TYR HB2 H 1 3.230 0.02 . 2 . . . . 50 TYR HB2 . 7209 1 579 . 1 1 50 50 TYR HB3 H 1 2.847 0.02 . 2 . . . . 50 TYR HB3 . 7209 1 580 . 1 1 50 50 TYR HD1 H 1 7.360 0.02 . 1 . . . . 50 TYR HD . 7209 1 581 . 1 1 50 50 TYR HD2 H 1 7.360 0.02 . 1 . . . . 50 TYR HD . 7209 1 582 . 1 1 50 50 TYR HE1 H 1 6.897 0.02 . 1 . . . . 50 TYR HE . 7209 1 583 . 1 1 50 50 TYR HE2 H 1 6.897 0.02 . 1 . . . . 50 TYR HE . 7209 1 584 . 1 1 50 50 TYR C C 13 175.508 0.1 . 1 . . . . 50 TYR C . 7209 1 585 . 1 1 50 50 TYR CA C 13 57.551 0.1 . 1 . . . . 50 TYR CA . 7209 1 586 . 1 1 50 50 TYR CB C 13 41.969 0.1 . 1 . . . . 50 TYR CB . 7209 1 587 . 1 1 50 50 TYR N N 15 128.812 0.1 . 1 . . . . 50 TYR N . 7209 1 588 . 1 1 51 51 THR H H 1 8.745 0.02 . 1 . . . . 51 THR H . 7209 1 589 . 1 1 51 51 THR HA H 1 5.229 0.02 . 1 . . . . 51 THR HA . 7209 1 590 . 1 1 51 51 THR HB H 1 4.050 0.02 . 1 . . . . 51 THR HB . 7209 1 591 . 1 1 51 51 THR HG21 H 1 1.098 0.02 . 1 . . . . 51 THR HG2 . 7209 1 592 . 1 1 51 51 THR HG22 H 1 1.098 0.02 . 1 . . . . 51 THR HG2 . 7209 1 593 . 1 1 51 51 THR HG23 H 1 1.098 0.02 . 1 . . . . 51 THR HG2 . 7209 1 594 . 1 1 51 51 THR C C 13 174.880 0.1 . 1 . . . . 51 THR C . 7209 1 595 . 1 1 51 51 THR CA C 13 62.004 0.1 . 1 . . . . 51 THR CA . 7209 1 596 . 1 1 51 51 THR CB C 13 69.822 0.1 . 1 . . . . 51 THR CB . 7209 1 597 . 1 1 51 51 THR CG2 C 13 21.650 0.1 . 1 . . . . 51 THR CG2 . 7209 1 598 . 1 1 51 51 THR N N 15 117.177 0.1 . 1 . . . . 51 THR N . 7209 1 599 . 1 1 52 52 VAL H H 1 9.142 0.02 . 1 . . . . 52 VAL H . 7209 1 600 . 1 1 52 52 VAL HA H 1 4.750 0.02 . 1 . . . . 52 VAL HA . 7209 1 601 . 1 1 52 52 VAL HB H 1 2.053 0.02 . 1 . . . . 52 VAL HB . 7209 1 602 . 1 1 52 52 VAL HG11 H 1 0.800 0.02 . 2 . . . . 52 VAL HG1 . 7209 1 603 . 1 1 52 52 VAL HG12 H 1 0.800 0.02 . 2 . . . . 52 VAL HG1 . 7209 1 604 . 1 1 52 52 VAL HG13 H 1 0.800 0.02 . 2 . . . . 52 VAL HG1 . 7209 1 605 . 1 1 52 52 VAL HG21 H 1 0.580 0.02 . 2 . . . . 52 VAL HG2 . 7209 1 606 . 1 1 52 52 VAL HG22 H 1 0.580 0.02 . 2 . . . . 52 VAL HG2 . 7209 1 607 . 1 1 52 52 VAL HG23 H 1 0.580 0.02 . 2 . . . . 52 VAL HG2 . 7209 1 608 . 1 1 52 52 VAL C C 13 173.821 0.1 . 1 . . . . 52 VAL C . 7209 1 609 . 1 1 52 52 VAL CA C 13 59.127 0.1 . 1 . . . . 52 VAL CA . 7209 1 610 . 1 1 52 52 VAL CB C 13 36.387 0.1 . 1 . . . . 52 VAL CB . 7209 1 611 . 1 1 52 52 VAL CG1 C 13 22.610 0.1 . 2 . . . . 52 VAL CG1 . 7209 1 612 . 1 1 52 52 VAL CG2 C 13 18.090 0.1 . 2 . . . . 52 VAL CG2 . 7209 1 613 . 1 1 52 52 VAL N N 15 118.814 0.1 . 1 . . . . 52 VAL N . 7209 1 614 . 1 1 53 53 GLY H H 1 8.745 0.02 . 1 . . . . 53 GLY H . 7209 1 615 . 1 1 53 53 GLY HA2 H 1 3.740 0.02 . 2 . . . . 53 GLY HA2 . 7209 1 616 . 1 1 53 53 GLY HA3 H 1 4.648 0.02 . 2 . . . . 53 GLY HA3 . 7209 1 617 . 1 1 53 53 GLY C C 13 173.252 0.1 . 1 . . . . 53 GLY C . 7209 1 618 . 1 1 53 53 GLY CA C 13 43.268 0.1 . 1 . . . . 53 GLY CA . 7209 1 619 . 1 1 53 53 GLY N N 15 107.696 0.1 . 1 . . . . 53 GLY N . 7209 1 620 . 1 1 54 54 VAL H H 1 8.633 0.02 . 1 . . . . 54 VAL H . 7209 1 621 . 1 1 54 54 VAL HA H 1 3.287 0.02 . 1 . . . . 54 VAL HA . 7209 1 622 . 1 1 54 54 VAL HB H 1 1.883 0.02 . 1 . . . . 54 VAL HB . 7209 1 623 . 1 1 54 54 VAL HG11 H 1 0.917 0.02 . 1 . . . . 54 VAL HG1 . 7209 1 624 . 1 1 54 54 VAL HG12 H 1 0.917 0.02 . 1 . . . . 54 VAL HG1 . 7209 1 625 . 1 1 54 54 VAL HG13 H 1 0.917 0.02 . 1 . . . . 54 VAL HG1 . 7209 1 626 . 1 1 54 54 VAL HG21 H 1 0.917 0.02 . 1 . . . . 54 VAL HG2 . 7209 1 627 . 1 1 54 54 VAL HG22 H 1 0.917 0.02 . 1 . . . . 54 VAL HG2 . 7209 1 628 . 1 1 54 54 VAL HG23 H 1 0.917 0.02 . 1 . . . . 54 VAL HG2 . 7209 1 629 . 1 1 54 54 VAL C C 13 178.010 0.1 . 1 . . . . 54 VAL C . 7209 1 630 . 1 1 54 54 VAL CA C 13 65.723 0.1 . 1 . . . . 54 VAL CA . 7209 1 631 . 1 1 54 54 VAL CB C 13 31.222 0.1 . 1 . . . . 54 VAL CB . 7209 1 632 . 1 1 54 54 VAL CG1 C 13 21.620 0.1 . 1 . . . . 54 VAL CG1 . 7209 1 633 . 1 1 54 54 VAL CG2 C 13 21.620 0.1 . 1 . . . . 54 VAL CG2 . 7209 1 634 . 1 1 54 54 VAL N N 15 119.300 0.1 . 1 . . . . 54 VAL N . 7209 1 635 . 1 1 55 55 GLY H H 1 8.658 0.02 . 1 . . . . 55 GLY H . 7209 1 636 . 1 1 55 55 GLY HA2 H 1 4.520 0.02 . 2 . . . . 55 GLY HA2 . 7209 1 637 . 1 1 55 55 GLY HA3 H 1 3.372 0.02 . 2 . . . . 55 GLY HA3 . 7209 1 638 . 1 1 55 55 GLY C C 13 175.259 0.1 . 1 . . . . 55 GLY C . 7209 1 639 . 1 1 55 55 GLY CA C 13 44.671 0.1 . 1 . . . . 55 GLY CA . 7209 1 640 . 1 1 55 55 GLY N N 15 115.417 0.1 . 1 . . . . 55 GLY N . 7209 1 641 . 1 1 56 56 ASN H H 1 7.749 0.02 . 1 . . . . 56 ASN H . 7209 1 642 . 1 1 56 56 ASN HA H 1 5.130 0.02 . 1 . . . . 56 ASN HA . 7209 1 643 . 1 1 56 56 ASN HB2 H 1 3.409 0.02 . 2 . . . . 56 ASN HB2 . 7209 1 644 . 1 1 56 56 ASN HB3 H 1 2.900 0.02 . 2 . . . . 56 ASN HB3 . 7209 1 645 . 1 1 56 56 ASN HD21 H 1 7.206 0.02 . 1 . . . . 56 ASN HD21 . 7209 1 646 . 1 1 56 56 ASN HD22 H 1 8.460 0.02 . 1 . . . . 56 ASN HD22 . 7209 1 647 . 1 1 56 56 ASN C C 13 172.790 0.1 . 1 . . . . 56 ASN C . 7209 1 648 . 1 1 56 56 ASN CA C 13 55.828 0.1 . 1 . . . . 56 ASN CA . 7209 1 649 . 1 1 56 56 ASN CB C 13 40.758 0.1 . 1 . . . . 56 ASN CB . 7209 1 650 . 1 1 56 56 ASN N N 15 117.460 0.1 . 1 . . . . 56 ASN N . 7209 1 651 . 1 1 56 56 ASN ND2 N 15 110.280 0.1 . 1 . . . . 56 ASN ND2 . 7209 1 652 . 1 1 57 57 TYR H H 1 8.438 0.02 . 1 . . . . 57 TYR H . 7209 1 653 . 1 1 57 57 TYR HA H 1 5.541 0.02 . 1 . . . . 57 TYR HA . 7209 1 654 . 1 1 57 57 TYR HB2 H 1 2.606 0.02 . 2 . . . . 57 TYR HB2 . 7209 1 655 . 1 1 57 57 TYR HB3 H 1 2.635 0.02 . 2 . . . . 57 TYR HB3 . 7209 1 656 . 1 1 57 57 TYR HD1 H 1 6.850 0.02 . 1 . . . . 57 TYR HD . 7209 1 657 . 1 1 57 57 TYR HD2 H 1 6.850 0.02 . 1 . . . . 57 TYR HD . 7209 1 658 . 1 1 57 57 TYR HE1 H 1 6.722 0.02 . 1 . . . . 57 TYR HE . 7209 1 659 . 1 1 57 57 TYR HE2 H 1 6.722 0.02 . 1 . . . . 57 TYR HE . 7209 1 660 . 1 1 57 57 TYR C C 13 175.666 0.1 . 1 . . . . 57 TYR C . 7209 1 661 . 1 1 57 57 TYR CA C 13 57.372 0.1 . 1 . . . . 57 TYR CA . 7209 1 662 . 1 1 57 57 TYR CB C 13 42.363 0.1 . 1 . . . . 57 TYR CB . 7209 1 663 . 1 1 57 57 TYR N N 15 118.129 0.1 . 1 . . . . 57 TYR N . 7209 1 664 . 1 1 58 58 LEU H H 1 9.124 0.02 . 1 . . . . 58 LEU H . 7209 1 665 . 1 1 58 58 LEU HA H 1 4.194 0.02 . 1 . . . . 58 LEU HA . 7209 1 666 . 1 1 58 58 LEU HB2 H 1 1.530 0.02 . 2 . . . . 58 LEU HB2 . 7209 1 667 . 1 1 58 58 LEU HB3 H 1 1.390 0.02 . 2 . . . . 58 LEU HB3 . 7209 1 668 . 1 1 58 58 LEU HG H 1 1.522 0.02 . 1 . . . . 58 LEU HG . 7209 1 669 . 1 1 58 58 LEU HD11 H 1 0.749 0.02 . 2 . . . . 58 LEU HD1 . 7209 1 670 . 1 1 58 58 LEU HD12 H 1 0.749 0.02 . 2 . . . . 58 LEU HD1 . 7209 1 671 . 1 1 58 58 LEU HD13 H 1 0.749 0.02 . 2 . . . . 58 LEU HD1 . 7209 1 672 . 1 1 58 58 LEU HD21 H 1 0.864 0.02 . 2 . . . . 58 LEU HD2 . 7209 1 673 . 1 1 58 58 LEU HD22 H 1 0.864 0.02 . 2 . . . . 58 LEU HD2 . 7209 1 674 . 1 1 58 58 LEU HD23 H 1 0.864 0.02 . 2 . . . . 58 LEU HD2 . 7209 1 675 . 1 1 58 58 LEU C C 13 176.779 0.1 . 1 . . . . 58 LEU C . 7209 1 676 . 1 1 58 58 LEU CA C 13 54.285 0.1 . 1 . . . . 58 LEU CA . 7209 1 677 . 1 1 58 58 LEU CB C 13 46.288 0.1 . 1 . . . . 58 LEU CB . 7209 1 678 . 1 1 58 58 LEU CG C 13 26.920 0.1 . 1 . . . . 58 LEU CG . 7209 1 679 . 1 1 58 58 LEU CD1 C 13 24.800 0.1 . 2 . . . . 58 LEU CD1 . 7209 1 680 . 1 1 58 58 LEU CD2 C 13 26.800 0.1 . 2 . . . . 58 LEU CD2 . 7209 1 681 . 1 1 58 58 LEU N N 15 117.158 0.1 . 1 . . . . 58 LEU N . 7209 1 682 . 1 1 59 59 GLY H H 1 7.778 0.02 . 1 . . . . 59 GLY H . 7209 1 683 . 1 1 59 59 GLY HA2 H 1 4.874 0.02 . 2 . . . . 59 GLY HA2 . 7209 1 684 . 1 1 59 59 GLY HA3 H 1 4.081 0.02 . 2 . . . . 59 GLY HA3 . 7209 1 685 . 1 1 59 59 GLY C C 13 173.824 0.1 . 1 . . . . 59 GLY C . 7209 1 686 . 1 1 59 59 GLY CA C 13 44.283 0.1 . 1 . . . . 59 GLY CA . 7209 1 687 . 1 1 59 59 GLY N N 15 107.488 0.1 . 1 . . . . 59 GLY N . 7209 1 688 . 1 1 60 60 GLN H H 1 8.453 0.02 . 1 . . . . 60 GLN H . 7209 1 689 . 1 1 60 60 GLN HA H 1 4.279 0.02 . 1 . . . . 60 GLN HA . 7209 1 690 . 1 1 60 60 GLN HB2 H 1 2.309 0.02 . 2 . . . . 60 GLN HB2 . 7209 1 691 . 1 1 60 60 GLN HB3 H 1 1.812 0.02 . 2 . . . . 60 GLN HB3 . 7209 1 692 . 1 1 60 60 GLN HG2 H 1 2.417 0.02 . 1 . . . . 60 GLN HG2 . 7209 1 693 . 1 1 60 60 GLN HG3 H 1 2.417 0.02 . 1 . . . . 60 GLN HG3 . 7209 1 694 . 1 1 60 60 GLN C C 13 175.802 0.1 . 1 . . . . 60 GLN C . 7209 1 695 . 1 1 60 60 GLN CA C 13 56.600 0.1 . 1 . . . . 60 GLN CA . 7209 1 696 . 1 1 60 60 GLN CB C 13 29.462 0.1 . 1 . . . . 60 GLN CB . 7209 1 697 . 1 1 60 60 GLN CG C 13 34.300 0.1 . 1 . . . . 60 GLN CG . 7209 1 698 . 1 1 60 60 GLN N N 15 113.204 0.1 . 1 . . . . 60 GLN N . 7209 1 699 . 1 1 61 61 ASN H H 1 9.376 0.02 . 1 . . . . 61 ASN H . 7209 1 700 . 1 1 61 61 ASN HA H 1 5.243 0.02 . 1 . . . . 61 ASN HA . 7209 1 701 . 1 1 61 61 ASN HB2 H 1 3.074 0.02 . 2 . . . . 61 ASN HB2 . 7209 1 702 . 1 1 61 61 ASN HB3 H 1 2.360 0.02 . 2 . . . . 61 ASN HB3 . 7209 1 703 . 1 1 61 61 ASN HD21 H 1 7.029 0.02 . 1 . . . . 61 ASN HD21 . 7209 1 704 . 1 1 61 61 ASN HD22 H 1 8.410 0.02 . 1 . . . . 61 ASN HD22 . 7209 1 705 . 1 1 61 61 ASN C C 13 172.824 0.1 . 1 . . . . 61 ASN C . 7209 1 706 . 1 1 61 61 ASN CA C 13 53.138 0.1 . 1 . . . . 61 ASN CA . 7209 1 707 . 1 1 61 61 ASN CB C 13 39.638 0.1 . 1 . . . . 61 ASN CB . 7209 1 708 . 1 1 61 61 ASN N N 15 121.084 0.1 . 1 . . . . 61 ASN N . 7209 1 709 . 1 1 61 61 ASN ND2 N 15 116.808 0.1 . 1 . . . . 61 ASN ND2 . 7209 1 710 . 1 1 62 62 TYR H H 1 8.406 0.02 . 1 . . . . 62 TYR H . 7209 1 711 . 1 1 62 62 TYR HA H 1 3.726 0.02 . 1 . . . . 62 TYR HA . 7209 1 712 . 1 1 62 62 TYR HB2 H 1 3.382 0.02 . 2 . . . . 62 TYR HB2 . 7209 1 713 . 1 1 62 62 TYR HB3 H 1 3.240 0.02 . 2 . . . . 62 TYR HB3 . 7209 1 714 . 1 1 62 62 TYR HD1 H 1 7.043 0.02 . 1 . . . . 62 TYR HD . 7209 1 715 . 1 1 62 62 TYR HD2 H 1 7.043 0.02 . 1 . . . . 62 TYR HD . 7209 1 716 . 1 1 62 62 TYR HE1 H 1 6.824 0.02 . 1 . . . . 62 TYR HE . 7209 1 717 . 1 1 62 62 TYR HE2 H 1 6.824 0.02 . 1 . . . . 62 TYR HE . 7209 1 718 . 1 1 62 62 TYR C C 13 175.449 0.1 . 1 . . . . 62 TYR C . 7209 1 719 . 1 1 62 62 TYR CA C 13 59.056 0.1 . 1 . . . . 62 TYR CA . 7209 1 720 . 1 1 62 62 TYR CB C 13 35.100 0.1 . 1 . . . . 62 TYR CB . 7209 1 721 . 1 1 62 62 TYR N N 15 112.807 0.1 . 1 . . . . 62 TYR N . 7209 1 722 . 1 1 63 63 GLY H H 1 7.805 0.02 . 1 . . . . 63 GLY H . 7209 1 723 . 1 1 63 63 GLY HA2 H 1 4.137 0.02 . 2 . . . . 63 GLY HA2 . 7209 1 724 . 1 1 63 63 GLY HA3 H 1 3.540 0.02 . 2 . . . . 63 GLY HA3 . 7209 1 725 . 1 1 63 63 GLY C C 13 171.353 0.1 . 1 . . . . 63 GLY C . 7209 1 726 . 1 1 63 63 GLY CA C 13 47.969 0.1 . 1 . . . . 63 GLY CA . 7209 1 727 . 1 1 63 63 GLY N N 15 102.643 0.1 . 1 . . . . 63 GLY N . 7209 1 728 . 1 1 64 64 ARG H H 1 8.270 0.02 . 1 . . . . 64 ARG H . 7209 1 729 . 1 1 64 64 ARG HA H 1 4.038 0.02 . 1 . . . . 64 ARG HA . 7209 1 730 . 1 1 64 64 ARG HB2 H 1 1.699 0.02 . 2 . . . . 64 ARG HB2 . 7209 1 731 . 1 1 64 64 ARG HB3 H 1 1.373 0.02 . 2 . . . . 64 ARG HB3 . 7209 1 732 . 1 1 64 64 ARG HG2 H 1 1.710 0.02 . 1 . . . . 64 ARG HG2 . 7209 1 733 . 1 1 64 64 ARG HG3 H 1 1.710 0.02 . 1 . . . . 64 ARG HG3 . 7209 1 734 . 1 1 64 64 ARG HD2 H 1 3.027 0.02 . 1 . . . . 64 ARG HD2 . 7209 1 735 . 1 1 64 64 ARG HD3 H 1 3.027 0.02 . 1 . . . . 64 ARG HD3 . 7209 1 736 . 1 1 64 64 ARG C C 13 177.487 0.1 . 1 . . . . 64 ARG C . 7209 1 737 . 1 1 64 64 ARG CA C 13 55.036 0.1 . 1 . . . . 64 ARG CA . 7209 1 738 . 1 1 64 64 ARG CB C 13 32.258 0.1 . 1 . . . . 64 ARG CB . 7209 1 739 . 1 1 64 64 ARG CG C 13 28.730 0.1 . 1 . . . . 64 ARG CG . 7209 1 740 . 1 1 64 64 ARG CD C 13 41.746 0.1 . 1 . . . . 64 ARG CD . 7209 1 741 . 1 1 64 64 ARG N N 15 128.877 0.1 . 1 . . . . 64 ARG N . 7209 1 742 . 1 1 65 65 ILE H H 1 8.967 0.02 . 1 . . . . 65 ILE H . 7209 1 743 . 1 1 65 65 ILE HA H 1 3.750 0.02 . 1 . . . . 65 ILE HA . 7209 1 744 . 1 1 65 65 ILE HB H 1 1.841 0.02 . 1 . . . . 65 ILE HB . 7209 1 745 . 1 1 65 65 ILE HG12 H 1 1.510 0.02 . 2 . . . . 65 ILE HG12 . 7209 1 746 . 1 1 65 65 ILE HG13 H 1 1.188 0.02 . 2 . . . . 65 ILE HG13 . 7209 1 747 . 1 1 65 65 ILE HG21 H 1 0.688 0.02 . 1 . . . . 65 ILE HG2 . 7209 1 748 . 1 1 65 65 ILE HG22 H 1 0.688 0.02 . 1 . . . . 65 ILE HG2 . 7209 1 749 . 1 1 65 65 ILE HG23 H 1 0.688 0.02 . 1 . . . . 65 ILE HG2 . 7209 1 750 . 1 1 65 65 ILE HD11 H 1 0.650 0.02 . 1 . . . . 65 ILE HD1 . 7209 1 751 . 1 1 65 65 ILE HD12 H 1 0.650 0.02 . 1 . . . . 65 ILE HD1 . 7209 1 752 . 1 1 65 65 ILE HD13 H 1 0.650 0.02 . 1 . . . . 65 ILE HD1 . 7209 1 753 . 1 1 65 65 ILE C C 13 176.282 0.1 . 1 . . . . 65 ILE C . 7209 1 754 . 1 1 65 65 ILE CA C 13 64.193 0.1 . 1 . . . . 65 ILE CA . 7209 1 755 . 1 1 65 65 ILE CB C 13 37.955 0.1 . 1 . . . . 65 ILE CB . 7209 1 756 . 1 1 65 65 ILE CG1 C 13 27.032 0.1 . 1 . . . . 65 ILE CG1 . 7209 1 757 . 1 1 65 65 ILE CG2 C 13 18.340 0.1 . 1 . . . . 65 ILE CG2 . 7209 1 758 . 1 1 65 65 ILE N N 15 127.050 0.1 . 1 . . . . 65 ILE N . 7209 1 759 . 1 1 66 66 GLU H H 1 9.529 0.02 . 1 . . . . 66 GLU H . 7209 1 760 . 1 1 66 66 GLU HA H 1 4.435 0.02 . 1 . . . . 66 GLU HA . 7209 1 761 . 1 1 66 66 GLU HB2 H 1 1.898 0.02 . 2 . . . . 66 GLU HB2 . 7209 1 762 . 1 1 66 66 GLU HB3 H 1 1.841 0.02 . 2 . . . . 66 GLU HB3 . 7209 1 763 . 1 1 66 66 GLU HG2 H 1 2.190 0.02 . 1 . . . . 66 GLU HG2 . 7209 1 764 . 1 1 66 66 GLU HG3 H 1 2.190 0.02 . 1 . . . . 66 GLU HG3 . 7209 1 765 . 1 1 66 66 GLU C C 13 175.895 0.1 . 1 . . . . 66 GLU C . 7209 1 766 . 1 1 66 66 GLU CA C 13 56.839 0.1 . 1 . . . . 66 GLU CA . 7209 1 767 . 1 1 66 66 GLU CB C 13 32.258 0.1 . 1 . . . . 66 GLU CB . 7209 1 768 . 1 1 66 66 GLU CG C 13 36.570 0.1 . 1 . . . . 66 GLU CG . 7209 1 769 . 1 1 66 66 GLU N N 15 130.918 0.1 . 1 . . . . 66 GLU N . 7209 1 770 . 1 1 67 67 SER H H 1 7.621 0.02 . 1 . . . . 67 SER H . 7209 1 771 . 1 1 67 67 SER HA H 1 4.520 0.02 . 1 . . . . 67 SER HA . 7209 1 772 . 1 1 67 67 SER HB2 H 1 3.698 0.02 . 1 . . . . 67 SER HB2 . 7209 1 773 . 1 1 67 67 SER HB3 H 1 3.698 0.02 . 1 . . . . 67 SER HB3 . 7209 1 774 . 1 1 67 67 SER C C 13 171.760 0.1 . 1 . . . . 67 SER C . 7209 1 775 . 1 1 67 67 SER CA C 13 57.653 0.1 . 1 . . . . 67 SER CA . 7209 1 776 . 1 1 67 67 SER CB C 13 65.064 0.1 . 1 . . . . 67 SER CB . 7209 1 777 . 1 1 67 67 SER N N 15 111.064 0.1 . 1 . . . . 67 SER N . 7209 1 778 . 1 1 68 68 ILE H H 1 8.234 0.02 . 1 . . . . 68 ILE H . 7209 1 779 . 1 1 68 68 ILE HA H 1 4.279 0.02 . 1 . . . . 68 ILE HA . 7209 1 780 . 1 1 68 68 ILE HB H 1 1.486 0.02 . 1 . . . . 68 ILE HB . 7209 1 781 . 1 1 68 68 ILE HG12 H 1 0.684 0.02 . 1 . . . . 68 ILE HG12 . 7209 1 782 . 1 1 68 68 ILE HG13 H 1 0.684 0.02 . 1 . . . . 68 ILE HG13 . 7209 1 783 . 1 1 68 68 ILE HG21 H 1 0.684 0.02 . 1 . . . . 68 ILE HG2 . 7209 1 784 . 1 1 68 68 ILE HG22 H 1 0.684 0.02 . 1 . . . . 68 ILE HG2 . 7209 1 785 . 1 1 68 68 ILE HG23 H 1 0.684 0.02 . 1 . . . . 68 ILE HG2 . 7209 1 786 . 1 1 68 68 ILE HD11 H 1 0.682 0.02 . 1 . . . . 68 ILE HD1 . 7209 1 787 . 1 1 68 68 ILE HD12 H 1 0.682 0.02 . 1 . . . . 68 ILE HD1 . 7209 1 788 . 1 1 68 68 ILE HD13 H 1 0.682 0.02 . 1 . . . . 68 ILE HD1 . 7209 1 789 . 1 1 68 68 ILE C C 13 174.257 0.1 . 1 . . . . 68 ILE C . 7209 1 790 . 1 1 68 68 ILE CA C 13 62.200 0.1 . 1 . . . . 68 ILE CA . 7209 1 791 . 1 1 68 68 ILE CB C 13 40.413 0.1 . 1 . . . . 68 ILE CB . 7209 1 792 . 1 1 68 68 ILE CG1 C 13 26.900 0.1 . 1 . . . . 68 ILE CG1 . 7209 1 793 . 1 1 68 68 ILE CG2 C 13 16.460 0.1 . 1 . . . . 68 ILE CG2 . 7209 1 794 . 1 1 68 68 ILE CD1 C 13 14.500 0.1 . 1 . . . . 68 ILE CD1 . 7209 1 795 . 1 1 68 68 ILE N N 15 123.724 0.1 . 1 . . . . 68 ILE N . 7209 1 796 . 1 1 69 69 THR H H 1 8.796 0.02 . 1 . . . . 69 THR H . 7209 1 797 . 1 1 69 69 THR HA H 1 4.775 0.02 . 1 . . . . 69 THR HA . 7209 1 798 . 1 1 69 69 THR HB H 1 4.775 0.02 . 1 . . . . 69 THR HB . 7209 1 799 . 1 1 69 69 THR HG21 H 1 1.225 0.02 . 1 . . . . 69 THR HG2 . 7209 1 800 . 1 1 69 69 THR HG22 H 1 1.225 0.02 . 1 . . . . 69 THR HG2 . 7209 1 801 . 1 1 69 69 THR HG23 H 1 1.225 0.02 . 1 . . . . 69 THR HG2 . 7209 1 802 . 1 1 69 69 THR C C 13 174.663 0.1 . 1 . . . . 69 THR C . 7209 1 803 . 1 1 69 69 THR CA C 13 59.477 0.1 . 1 . . . . 69 THR CA . 7209 1 804 . 1 1 69 69 THR CB C 13 73.115 0.1 . 1 . . . . 69 THR CB . 7209 1 805 . 1 1 69 69 THR CG2 C 13 21.618 0.1 . 1 . . . . 69 THR CG2 . 7209 1 806 . 1 1 69 69 THR N N 15 116.573 0.1 . 1 . . . . 69 THR N . 7209 1 807 . 1 1 70 70 ASP H H 1 8.598 0.02 . 1 . . . . 70 ASP H . 7209 1 808 . 1 1 70 70 ASP HA H 1 4.237 0.02 . 1 . . . . 70 ASP HA . 7209 1 809 . 1 1 70 70 ASP HB2 H 1 2.663 0.02 . 2 . . . . 70 ASP HB2 . 7209 1 810 . 1 1 70 70 ASP HB3 H 1 2.521 0.02 . 2 . . . . 70 ASP HB3 . 7209 1 811 . 1 1 70 70 ASP C C 13 175.480 0.1 . 1 . . . . 70 ASP C . 7209 1 812 . 1 1 70 70 ASP CA C 13 57.430 0.1 . 1 . . . . 70 ASP CA . 7209 1 813 . 1 1 70 70 ASP CB C 13 40.899 0.1 . 1 . . . . 70 ASP CB . 7209 1 814 . 1 1 70 70 ASP N N 15 118.703 0.1 . 1 . . . . 70 ASP N . 7209 1 815 . 1 1 71 71 ASP H H 1 7.825 0.02 . 1 . . . . 71 ASP H . 7209 1 816 . 1 1 71 71 ASP HA H 1 4.832 0.02 . 1 . . . . 71 ASP HA . 7209 1 817 . 1 1 71 71 ASP HB2 H 1 2.691 0.02 . 2 . . . . 71 ASP HB2 . 7209 1 818 . 1 1 71 71 ASP HB3 H 1 2.535 0.02 . 2 . . . . 71 ASP HB3 . 7209 1 819 . 1 1 71 71 ASP C C 13 177.403 0.1 . 1 . . . . 71 ASP C . 7209 1 820 . 1 1 71 71 ASP CA C 13 55.548 0.1 . 1 . . . . 71 ASP CA . 7209 1 821 . 1 1 71 71 ASP CB C 13 43.073 0.1 . 1 . . . . 71 ASP CB . 7209 1 822 . 1 1 71 71 ASP N N 15 111.050 0.1 . 1 . . . . 71 ASP N . 7209 1 823 . 1 1 72 72 SER H H 1 7.840 0.02 . 1 . . . . 72 SER H . 7209 1 824 . 1 1 72 72 SER HA H 1 5.328 0.02 . 1 . . . . 72 SER HA . 7209 1 825 . 1 1 72 72 SER HB2 H 1 3.896 0.02 . 2 . . . . 72 SER HB2 . 7209 1 826 . 1 1 72 72 SER HB3 H 1 3.627 0.02 . 2 . . . . 72 SER HB3 . 7209 1 827 . 1 1 72 72 SER C C 13 172.194 0.1 . 1 . . . . 72 SER C . 7209 1 828 . 1 1 72 72 SER CA C 13 58.144 0.1 . 1 . . . . 72 SER CA . 7209 1 829 . 1 1 72 72 SER CB C 13 66.092 0.1 . 1 . . . . 72 SER CB . 7209 1 830 . 1 1 72 72 SER N N 15 113.747 0.1 . 1 . . . . 72 SER N . 7209 1 831 . 1 1 73 73 ILE H H 1 8.457 0.02 . 1 . . . . 73 ILE H . 7209 1 832 . 1 1 73 73 ILE HA H 1 4.492 0.02 . 1 . . . . 73 ILE HA . 7209 1 833 . 1 1 73 73 ILE HB H 1 1.203 0.02 . 1 . . . . 73 ILE HB . 7209 1 834 . 1 1 73 73 ILE HG12 H 1 0.644 0.02 . 1 . . . . 73 ILE HG12 . 7209 1 835 . 1 1 73 73 ILE HG13 H 1 0.644 0.02 . 1 . . . . 73 ILE HG13 . 7209 1 836 . 1 1 73 73 ILE HG21 H 1 0.671 0.02 . 1 . . . . 73 ILE HG2 . 7209 1 837 . 1 1 73 73 ILE HG22 H 1 0.671 0.02 . 1 . . . . 73 ILE HG2 . 7209 1 838 . 1 1 73 73 ILE HG23 H 1 0.671 0.02 . 1 . . . . 73 ILE HG2 . 7209 1 839 . 1 1 73 73 ILE HD11 H 1 0.277 0.02 . 1 . . . . 73 ILE HD1 . 7209 1 840 . 1 1 73 73 ILE HD12 H 1 0.277 0.02 . 1 . . . . 73 ILE HD1 . 7209 1 841 . 1 1 73 73 ILE HD13 H 1 0.277 0.02 . 1 . . . . 73 ILE HD1 . 7209 1 842 . 1 1 73 73 ILE C C 13 174.826 0.1 . 1 . . . . 73 ILE C . 7209 1 843 . 1 1 73 73 ILE CA C 13 60.777 0.1 . 1 . . . . 73 ILE CA . 7209 1 844 . 1 1 73 73 ILE CB C 13 40.713 0.1 . 1 . . . . 73 ILE CB . 7209 1 845 . 1 1 73 73 ILE CG1 C 13 25.960 0.1 . 1 . . . . 73 ILE CG1 . 7209 1 846 . 1 1 73 73 ILE CG2 C 13 18.055 0.1 . 1 . . . . 73 ILE CG2 . 7209 1 847 . 1 1 73 73 ILE CD1 C 13 14.910 0.1 . 1 . . . . 73 ILE CD1 . 7209 1 848 . 1 1 73 73 ILE N N 15 119.713 0.1 . 1 . . . . 73 ILE N . 7209 1 849 . 1 1 74 74 VAL H H 1 8.245 0.02 . 1 . . . . 74 VAL H . 7209 1 850 . 1 1 74 74 VAL HA H 1 4.605 0.02 . 1 . . . . 74 VAL HA . 7209 1 851 . 1 1 74 74 VAL HB H 1 1.940 0.02 . 1 . . . . 74 VAL HB . 7209 1 852 . 1 1 74 74 VAL HG11 H 1 0.918 0.02 . 2 . . . . 74 VAL HG1 . 7209 1 853 . 1 1 74 74 VAL HG12 H 1 0.918 0.02 . 2 . . . . 74 VAL HG1 . 7209 1 854 . 1 1 74 74 VAL HG13 H 1 0.918 0.02 . 2 . . . . 74 VAL HG1 . 7209 1 855 . 1 1 74 74 VAL HG21 H 1 0.877 0.02 . 2 . . . . 74 VAL HG2 . 7209 1 856 . 1 1 74 74 VAL HG22 H 1 0.877 0.02 . 2 . . . . 74 VAL HG2 . 7209 1 857 . 1 1 74 74 VAL HG23 H 1 0.877 0.02 . 2 . . . . 74 VAL HG2 . 7209 1 858 . 1 1 74 74 VAL C C 13 175.008 0.1 . 1 . . . . 74 VAL C . 7209 1 859 . 1 1 74 74 VAL CA C 13 61.916 0.1 . 1 . . . . 74 VAL CA . 7209 1 860 . 1 1 74 74 VAL CB C 13 33.212 0.1 . 1 . . . . 74 VAL CB . 7209 1 861 . 1 1 74 74 VAL CG1 C 13 21.920 0.1 . 2 . . . . 74 VAL CG1 . 7209 1 862 . 1 1 74 74 VAL CG2 C 13 22.050 0.1 . 2 . . . . 74 VAL CG2 . 7209 1 863 . 1 1 74 74 VAL N N 15 126.336 0.1 . 1 . . . . 74 VAL N . 7209 1 864 . 1 1 75 75 LEU H H 1 9.256 0.02 . 1 . . . . 75 LEU H . 7209 1 865 . 1 1 75 75 LEU HA H 1 5.186 0.02 . 1 . . . . 75 LEU HA . 7209 1 866 . 1 1 75 75 LEU HB2 H 1 1.383 0.02 . 2 . . . . 75 LEU HB2 . 7209 1 867 . 1 1 75 75 LEU HB3 H 1 1.189 0.02 . 2 . . . . 75 LEU HB3 . 7209 1 868 . 1 1 75 75 LEU HG H 1 1.512 0.02 . 1 . . . . 75 LEU HG . 7209 1 869 . 1 1 75 75 LEU HD11 H 1 0.776 0.02 . 2 . . . . 75 LEU HD1 . 7209 1 870 . 1 1 75 75 LEU HD12 H 1 0.776 0.02 . 2 . . . . 75 LEU HD1 . 7209 1 871 . 1 1 75 75 LEU HD13 H 1 0.776 0.02 . 2 . . . . 75 LEU HD1 . 7209 1 872 . 1 1 75 75 LEU HD21 H 1 0.681 0.02 . 2 . . . . 75 LEU HD2 . 7209 1 873 . 1 1 75 75 LEU HD22 H 1 0.681 0.02 . 2 . . . . 75 LEU HD2 . 7209 1 874 . 1 1 75 75 LEU HD23 H 1 0.681 0.02 . 2 . . . . 75 LEU HD2 . 7209 1 875 . 1 1 75 75 LEU C C 13 174.598 0.1 . 1 . . . . 75 LEU C . 7209 1 876 . 1 1 75 75 LEU CA C 13 53.423 0.1 . 1 . . . . 75 LEU CA . 7209 1 877 . 1 1 75 75 LEU CB C 13 45.747 0.1 . 1 . . . . 75 LEU CB . 7209 1 878 . 1 1 75 75 LEU CG C 13 27.067 0.1 . 1 . . . . 75 LEU CG . 7209 1 879 . 1 1 75 75 LEU CD1 C 13 27.630 0.1 . 2 . . . . 75 LEU CD1 . 7209 1 880 . 1 1 75 75 LEU CD2 C 13 26.720 0.1 . 2 . . . . 75 LEU CD2 . 7209 1 881 . 1 1 75 75 LEU N N 15 126.022 0.1 . 1 . . . . 75 LEU N . 7209 1 882 . 1 1 76 76 ASN H H 1 8.312 0.02 . 1 . . . . 76 ASN H . 7209 1 883 . 1 1 76 76 ASN HA H 1 5.349 0.02 . 1 . . . . 76 ASN HA . 7209 1 884 . 1 1 76 76 ASN HB2 H 1 2.791 0.02 . 2 . . . . 76 ASN HB2 . 7209 1 885 . 1 1 76 76 ASN HB3 H 1 2.623 0.02 . 2 . . . . 76 ASN HB3 . 7209 1 886 . 1 1 76 76 ASN C C 13 174.602 0.1 . 1 . . . . 76 ASN C . 7209 1 887 . 1 1 76 76 ASN CA C 13 52.881 0.1 . 1 . . . . 76 ASN CA . 7209 1 888 . 1 1 76 76 ASN CB C 13 41.237 0.1 . 1 . . . . 76 ASN CB . 7209 1 889 . 1 1 76 76 ASN N N 15 119.342 0.1 . 1 . . . . 76 ASN N . 7209 1 890 . 1 1 77 77 GLU H H 1 9.282 0.02 . 1 . . . . 77 GLU H . 7209 1 891 . 1 1 77 77 GLU HA H 1 4.580 0.02 . 1 . . . . 77 GLU HA . 7209 1 892 . 1 1 77 77 GLU HB2 H 1 1.926 0.02 . 2 . . . . 77 GLU HB2 . 7209 1 893 . 1 1 77 77 GLU HB3 H 1 2.096 0.02 . 2 . . . . 77 GLU HB3 . 7209 1 894 . 1 1 77 77 GLU HG2 H 1 2.190 0.02 . 1 . . . . 77 GLU HG2 . 7209 1 895 . 1 1 77 77 GLU HG3 H 1 2.190 0.02 . 1 . . . . 77 GLU HG3 . 7209 1 896 . 1 1 77 77 GLU C C 13 175.053 0.1 . 1 . . . . 77 GLU C . 7209 1 897 . 1 1 77 77 GLU CA C 13 55.653 0.1 . 1 . . . . 77 GLU CA . 7209 1 898 . 1 1 77 77 GLU CB C 13 32.968 0.1 . 1 . . . . 77 GLU CB . 7209 1 899 . 1 1 77 77 GLU CG C 13 35.460 0.1 . 1 . . . . 77 GLU CG . 7209 1 900 . 1 1 77 77 GLU N N 15 123.781 0.1 . 1 . . . . 77 GLU N . 7209 1 901 . 1 1 78 78 LEU H H 1 8.369 0.02 . 1 . . . . 78 LEU H . 7209 1 902 . 1 1 78 78 LEU HA H 1 5.356 0.02 . 1 . . . . 78 LEU HA . 7209 1 903 . 1 1 78 78 LEU HB2 H 1 1.600 0.02 . 1 . . . . 78 LEU HB2 . 7209 1 904 . 1 1 78 78 LEU HB3 H 1 1.600 0.02 . 1 . . . . 78 LEU HB3 . 7209 1 905 . 1 1 78 78 LEU HG H 1 1.746 0.02 . 1 . . . . 78 LEU HG . 7209 1 906 . 1 1 78 78 LEU HD11 H 1 0.681 0.02 . 2 . . . . 78 LEU HD1 . 7209 1 907 . 1 1 78 78 LEU HD12 H 1 0.681 0.02 . 2 . . . . 78 LEU HD1 . 7209 1 908 . 1 1 78 78 LEU HD13 H 1 0.681 0.02 . 2 . . . . 78 LEU HD1 . 7209 1 909 . 1 1 78 78 LEU HD21 H 1 0.744 0.02 . 2 . . . . 78 LEU HD2 . 7209 1 910 . 1 1 78 78 LEU HD22 H 1 0.744 0.02 . 2 . . . . 78 LEU HD2 . 7209 1 911 . 1 1 78 78 LEU HD23 H 1 0.744 0.02 . 2 . . . . 78 LEU HD2 . 7209 1 912 . 1 1 78 78 LEU C C 13 175.349 0.1 . 1 . . . . 78 LEU C . 7209 1 913 . 1 1 78 78 LEU CA C 13 54.324 0.1 . 1 . . . . 78 LEU CA . 7209 1 914 . 1 1 78 78 LEU CB C 13 46.048 0.1 . 1 . . . . 78 LEU CB . 7209 1 915 . 1 1 78 78 LEU CG C 13 26.900 0.1 . 1 . . . . 78 LEU CG . 7209 1 916 . 1 1 78 78 LEU CD1 C 13 25.345 0.1 . 2 . . . . 78 LEU CD1 . 7209 1 917 . 1 1 78 78 LEU CD2 C 13 24.025 0.1 . 2 . . . . 78 LEU CD2 . 7209 1 918 . 1 1 78 78 LEU N N 15 120.864 0.1 . 1 . . . . 78 LEU N . 7209 1 919 . 1 1 79 79 ILE H H 1 9.062 0.02 . 1 . . . . 79 ILE H . 7209 1 920 . 1 1 79 79 ILE HA H 1 4.690 0.02 . 1 . . . . 79 ILE HA . 7209 1 921 . 1 1 79 79 ILE HB H 1 1.827 0.02 . 1 . . . . 79 ILE HB . 7209 1 922 . 1 1 79 79 ILE HG12 H 1 1.358 0.02 . 2 . . . . 79 ILE HG12 . 7209 1 923 . 1 1 79 79 ILE HG13 H 1 1.098 0.02 . 2 . . . . 79 ILE HG13 . 7209 1 924 . 1 1 79 79 ILE HG21 H 1 0.833 0.02 . 1 . . . . 79 ILE HG2 . 7209 1 925 . 1 1 79 79 ILE HG22 H 1 0.833 0.02 . 1 . . . . 79 ILE HG2 . 7209 1 926 . 1 1 79 79 ILE HG23 H 1 0.833 0.02 . 1 . . . . 79 ILE HG2 . 7209 1 927 . 1 1 79 79 ILE HD11 H 1 0.757 0.02 . 1 . . . . 79 ILE HD1 . 7209 1 928 . 1 1 79 79 ILE HD12 H 1 0.757 0.02 . 1 . . . . 79 ILE HD1 . 7209 1 929 . 1 1 79 79 ILE HD13 H 1 0.757 0.02 . 1 . . . . 79 ILE HD1 . 7209 1 930 . 1 1 79 79 ILE C C 13 173.849 0.1 . 1 . . . . 79 ILE C . 7209 1 931 . 1 1 79 79 ILE CA C 13 58.706 0.1 . 1 . . . . 79 ILE CA . 7209 1 932 . 1 1 79 79 ILE CB C 13 41.658 0.1 . 1 . . . . 79 ILE CB . 7209 1 933 . 1 1 79 79 ILE CG1 C 13 26.600 0.1 . 1 . . . . 79 ILE CG1 . 7209 1 934 . 1 1 79 79 ILE CG2 C 13 17.360 0.1 . 1 . . . . 79 ILE CG2 . 7209 1 935 . 1 1 79 79 ILE CD1 C 13 12.929 0.1 . 1 . . . . 79 ILE CD1 . 7209 1 936 . 1 1 79 79 ILE N N 15 119.300 0.1 . 1 . . . . 79 ILE N . 7209 1 937 . 1 1 80 80 GLU H H 1 8.212 0.02 . 1 . . . . 80 GLU H . 7209 1 938 . 1 1 80 80 GLU HA H 1 3.850 0.02 . 1 . . . . 80 GLU HA . 7209 1 939 . 1 1 80 80 GLU HB2 H 1 0.340 0.02 . 2 . . . . 80 GLU HB2 . 7209 1 940 . 1 1 80 80 GLU HB3 H 1 1.320 0.02 . 2 . . . . 80 GLU HB3 . 7209 1 941 . 1 1 80 80 GLU HG2 H 1 0.702 0.02 . 2 . . . . 80 GLU HG2 . 7209 1 942 . 1 1 80 80 GLU HG3 H 1 1.335 0.02 . 2 . . . . 80 GLU HG3 . 7209 1 943 . 1 1 80 80 GLU C C 13 176.827 0.1 . 1 . . . . 80 GLU C . 7209 1 944 . 1 1 80 80 GLU CA C 13 55.178 0.1 . 1 . . . . 80 GLU CA . 7209 1 945 . 1 1 80 80 GLU CB C 13 29.860 0.1 . 1 . . . . 80 GLU CB . 7209 1 946 . 1 1 80 80 GLU CG C 13 35.560 0.1 . 1 . . . . 80 GLU CG . 7209 1 947 . 1 1 80 80 GLU N N 15 126.495 0.1 . 1 . . . . 80 GLU N . 7209 1 948 . 1 1 81 81 ASP H H 1 8.765 0.02 . 1 . . . . 81 ASP H . 7209 1 949 . 1 1 81 81 ASP HA H 1 4.605 0.02 . 1 . . . . 81 ASP HA . 7209 1 950 . 1 1 81 81 ASP HB2 H 1 3.188 0.02 . 2 . . . . 81 ASP HB2 . 7209 1 951 . 1 1 81 81 ASP HB3 H 1 2.578 0.02 . 2 . . . . 81 ASP HB3 . 7209 1 952 . 1 1 81 81 ASP C C 13 178.010 0.1 . 1 . . . . 81 ASP C . 7209 1 953 . 1 1 81 81 ASP CA C 13 52.806 0.1 . 1 . . . . 81 ASP CA . 7209 1 954 . 1 1 81 81 ASP CB C 13 41.580 0.1 . 1 . . . . 81 ASP CB . 7209 1 955 . 1 1 81 81 ASP N N 15 126.907 0.1 . 1 . . . . 81 ASP N . 7209 1 956 . 1 1 82 82 SER H H 1 8.244 0.02 . 1 . . . . 82 SER H . 7209 1 957 . 1 1 82 82 SER HA H 1 4.194 0.02 . 1 . . . . 82 SER HA . 7209 1 958 . 1 1 82 82 SER HB2 H 1 3.961 0.02 . 2 . . . . 82 SER HB2 . 7209 1 959 . 1 1 82 82 SER HB3 H 1 4.029 0.02 . 2 . . . . 82 SER HB3 . 7209 1 960 . 1 1 82 82 SER C C 13 175.291 0.1 . 1 . . . . 82 SER C . 7209 1 961 . 1 1 82 82 SER CA C 13 60.822 0.1 . 1 . . . . 82 SER CA . 7209 1 962 . 1 1 82 82 SER CB C 13 63.175 0.1 . 1 . . . . 82 SER CB . 7209 1 963 . 1 1 82 82 SER N N 15 112.657 0.1 . 1 . . . . 82 SER N . 7209 1 964 . 1 1 83 83 THR H H 1 8.325 0.02 . 1 . . . . 83 THR H . 7209 1 965 . 1 1 83 83 THR HA H 1 4.430 0.02 . 1 . . . . 83 THR HA . 7209 1 966 . 1 1 83 83 THR HB H 1 4.374 0.02 . 1 . . . . 83 THR HB . 7209 1 967 . 1 1 83 83 THR HG21 H 1 1.163 0.02 . 1 . . . . 83 THR HG2 . 7209 1 968 . 1 1 83 83 THR HG22 H 1 1.163 0.02 . 1 . . . . 83 THR HG2 . 7209 1 969 . 1 1 83 83 THR HG23 H 1 1.163 0.02 . 1 . . . . 83 THR HG2 . 7209 1 970 . 1 1 83 83 THR C C 13 175.228 0.1 . 1 . . . . 83 THR C . 7209 1 971 . 1 1 83 83 THR CA C 13 61.860 0.1 . 1 . . . . 83 THR CA . 7209 1 972 . 1 1 83 83 THR CB C 13 69.704 0.1 . 1 . . . . 83 THR CB . 7209 1 973 . 1 1 83 83 THR CG2 C 13 21.650 0.1 . 1 . . . . 83 THR CG2 . 7209 1 974 . 1 1 83 83 THR N N 15 112.831 0.1 . 1 . . . . 83 THR N . 7209 1 975 . 1 1 84 84 GLY H H 1 8.222 0.02 . 1 . . . . 84 GLY H . 7209 1 976 . 1 1 84 84 GLY HA2 H 1 4.194 0.02 . 2 . . . . 84 GLY HA2 . 7209 1 977 . 1 1 84 84 GLY HA3 H 1 3.698 0.02 . 2 . . . . 84 GLY HA3 . 7209 1 978 . 1 1 84 84 GLY C C 13 173.690 0.1 . 1 . . . . 84 GLY C . 7209 1 979 . 1 1 84 84 GLY CA C 13 45.324 0.1 . 1 . . . . 84 GLY CA . 7209 1 980 . 1 1 84 84 GLY N N 15 110.611 0.1 . 1 . . . . 84 GLY N . 7209 1 981 . 1 1 85 85 ASN H H 1 7.965 0.02 . 1 . . . . 85 ASN H . 7209 1 982 . 1 1 85 85 ASN HA H 1 4.899 0.02 . 1 . . . . 85 ASN HA . 7209 1 983 . 1 1 85 85 ASN HB2 H 1 2.665 0.02 . 1 . . . . 85 ASN HB2 . 7209 1 984 . 1 1 85 85 ASN HB3 H 1 2.665 0.02 . 1 . . . . 85 ASN HB3 . 7209 1 985 . 1 1 85 85 ASN HD21 H 1 7.850 0.02 . 1 . . . . 85 ASN HD21 . 7209 1 986 . 1 1 85 85 ASN HD22 H 1 6.794 0.02 . 1 . . . . 85 ASN HD22 . 7209 1 987 . 1 1 85 85 ASN C C 13 173.523 0.1 . 1 . . . . 85 ASN C . 7209 1 988 . 1 1 85 85 ASN CA C 13 52.460 0.1 . 1 . . . . 85 ASN CA . 7209 1 989 . 1 1 85 85 ASN CB C 13 40.115 0.1 . 1 . . . . 85 ASN CB . 7209 1 990 . 1 1 85 85 ASN N N 15 119.471 0.1 . 1 . . . . 85 ASN N . 7209 1 991 . 1 1 85 85 ASN ND2 N 15 115.571 0.1 . 1 . . . . 85 ASN ND2 . 7209 1 992 . 1 1 86 86 TRP H H 1 8.598 0.02 . 1 . . . . 86 TRP H . 7209 1 993 . 1 1 86 86 TRP HA H 1 5.011 0.02 . 1 . . . . 86 TRP HA . 7209 1 994 . 1 1 86 86 TRP HB2 H 1 2.833 0.02 . 2 . . . . 86 TRP HB2 . 7209 1 995 . 1 1 86 86 TRP HB3 H 1 2.960 0.02 . 2 . . . . 86 TRP HB3 . 7209 1 996 . 1 1 86 86 TRP HD1 H 1 7.260 0.02 . 1 . . . . 86 TRP HD1 . 7209 1 997 . 1 1 86 86 TRP HE1 H 1 10.042 0.02 . 1 . . . . 86 TRP HE1 . 7209 1 998 . 1 1 86 86 TRP HE3 H 1 7.470 0.02 . 1 . . . . 86 TRP HE3 . 7209 1 999 . 1 1 86 86 TRP HZ2 H 1 7.360 0.02 . 1 . . . . 86 TRP HZ2 . 7209 1 1000 . 1 1 86 86 TRP HZ3 H 1 7.200 0.02 . 1 . . . . 86 TRP HZ3 . 7209 1 1001 . 1 1 86 86 TRP HH2 H 1 7.220 0.02 . 1 . . . . 86 TRP HH2 . 7209 1 1002 . 1 1 86 86 TRP C C 13 176.395 0.1 . 1 . . . . 86 TRP C . 7209 1 1003 . 1 1 86 86 TRP CA C 13 57.219 0.1 . 1 . . . . 86 TRP CA . 7209 1 1004 . 1 1 86 86 TRP CB C 13 29.669 0.1 . 1 . . . . 86 TRP CB . 7209 1 1005 . 1 1 86 86 TRP N N 15 122.554 0.1 . 1 . . . . 86 TRP N . 7209 1 1006 . 1 1 86 86 TRP NE1 N 15 129.105 0.1 . 1 . . . . 86 TRP NE1 . 7209 1 1007 . 1 1 87 87 VAL H H 1 9.557 0.02 . 1 . . . . 87 VAL H . 7209 1 1008 . 1 1 87 87 VAL HA H 1 4.610 0.02 . 1 . . . . 87 VAL HA . 7209 1 1009 . 1 1 87 87 VAL HB H 1 2.164 0.02 . 1 . . . . 87 VAL HB . 7209 1 1010 . 1 1 87 87 VAL HG11 H 1 0.955 0.02 . 2 . . . . 87 VAL HG1 . 7209 1 1011 . 1 1 87 87 VAL HG12 H 1 0.955 0.02 . 2 . . . . 87 VAL HG1 . 7209 1 1012 . 1 1 87 87 VAL HG13 H 1 0.955 0.02 . 2 . . . . 87 VAL HG1 . 7209 1 1013 . 1 1 87 87 VAL HG21 H 1 0.901 0.02 . 2 . . . . 87 VAL HG2 . 7209 1 1014 . 1 1 87 87 VAL HG22 H 1 0.901 0.02 . 2 . . . . 87 VAL HG2 . 7209 1 1015 . 1 1 87 87 VAL HG23 H 1 0.901 0.02 . 2 . . . . 87 VAL HG2 . 7209 1 1016 . 1 1 87 87 VAL C C 13 174.439 0.1 . 1 . . . . 87 VAL C . 7209 1 1017 . 1 1 87 87 VAL CA C 13 59.970 0.1 . 1 . . . . 87 VAL CA . 7209 1 1018 . 1 1 87 87 VAL CB C 13 35.236 0.1 . 1 . . . . 87 VAL CB . 7209 1 1019 . 1 1 87 87 VAL CG1 C 13 21.500 0.1 . 2 . . . . 87 VAL CG1 . 7209 1 1020 . 1 1 87 87 VAL CG2 C 13 21.200 0.1 . 2 . . . . 87 VAL CG2 . 7209 1 1021 . 1 1 87 87 VAL N N 15 121.555 0.1 . 1 . . . . 87 VAL N . 7209 1 1022 . 1 1 88 88 SER H H 1 8.319 0.02 . 1 . . . . 88 SER H . 7209 1 1023 . 1 1 88 88 SER HA H 1 5.596 0.02 . 1 . . . . 88 SER HA . 7209 1 1024 . 1 1 88 88 SER HB2 H 1 3.872 0.02 . 1 . . . . 88 SER HB2 . 7209 1 1025 . 1 1 88 88 SER HB3 H 1 3.872 0.02 . 1 . . . . 88 SER HB3 . 7209 1 1026 . 1 1 88 88 SER C C 13 174.988 0.1 . 1 . . . . 88 SER C . 7209 1 1027 . 1 1 88 88 SER CA C 13 57.302 0.1 . 1 . . . . 88 SER CA . 7209 1 1028 . 1 1 88 88 SER CB C 13 64.806 0.1 . 1 . . . . 88 SER CB . 7209 1 1029 . 1 1 88 88 SER N N 15 117.423 0.1 . 1 . . . . 88 SER N . 7209 1 1030 . 1 1 89 89 ARG H H 1 8.860 0.02 . 1 . . . . 89 ARG H . 7209 1 1031 . 1 1 89 89 ARG HA H 1 4.698 0.02 . 1 . . . . 89 ARG HA . 7209 1 1032 . 1 1 89 89 ARG HB2 H 1 1.665 0.02 . 2 . . . . 89 ARG HB2 . 7209 1 1033 . 1 1 89 89 ARG HB3 H 1 1.836 0.02 . 2 . . . . 89 ARG HB3 . 7209 1 1034 . 1 1 89 89 ARG HG2 H 1 1.630 0.02 . 2 . . . . 89 ARG HG2 . 7209 1 1035 . 1 1 89 89 ARG HG3 H 1 1.545 0.02 . 2 . . . . 89 ARG HG3 . 7209 1 1036 . 1 1 89 89 ARG HD2 H 1 3.170 0.02 . 1 . . . . 89 ARG HD2 . 7209 1 1037 . 1 1 89 89 ARG HD3 H 1 3.170 0.02 . 1 . . . . 89 ARG HD3 . 7209 1 1038 . 1 1 89 89 ARG C C 13 173.893 0.1 . 1 . . . . 89 ARG C . 7209 1 1039 . 1 1 89 89 ARG CA C 13 55.178 0.1 . 1 . . . . 89 ARG CA . 7209 1 1040 . 1 1 89 89 ARG CB C 13 34.071 0.1 . 1 . . . . 89 ARG CB . 7209 1 1041 . 1 1 89 89 ARG CG C 13 27.110 0.1 . 1 . . . . 89 ARG CG . 7209 1 1042 . 1 1 89 89 ARG CD C 13 43.080 0.1 . 1 . . . . 89 ARG CD . 7209 1 1043 . 1 1 89 89 ARG N N 15 124.110 0.1 . 1 . . . . 89 ARG N . 7209 1 1044 . 1 1 90 90 LYS H H 1 8.619 0.02 . 1 . . . . 90 LYS H . 7209 1 1045 . 1 1 90 90 LYS HA H 1 5.012 0.02 . 1 . . . . 90 LYS HA . 7209 1 1046 . 1 1 90 90 LYS HB2 H 1 1.822 0.02 . 2 . . . . 90 LYS HB2 . 7209 1 1047 . 1 1 90 90 LYS HB3 H 1 1.756 0.02 . 2 . . . . 90 LYS HB3 . 7209 1 1048 . 1 1 90 90 LYS HG2 H 1 1.390 0.02 . 2 . . . . 90 LYS HG2 . 7209 1 1049 . 1 1 90 90 LYS HG3 H 1 1.535 0.02 . 2 . . . . 90 LYS HG3 . 7209 1 1050 . 1 1 90 90 LYS HD2 H 1 1.660 0.02 . 1 . . . . 90 LYS HD2 . 7209 1 1051 . 1 1 90 90 LYS HD3 H 1 1.660 0.02 . 1 . . . . 90 LYS HD3 . 7209 1 1052 . 1 1 90 90 LYS HE2 H 1 2.906 0.02 . 1 . . . . 90 LYS HE2 . 7209 1 1053 . 1 1 90 90 LYS HE3 H 1 2.906 0.02 . 1 . . . . 90 LYS HE3 . 7209 1 1054 . 1 1 90 90 LYS C C 13 175.939 0.1 . 1 . . . . 90 LYS C . 7209 1 1055 . 1 1 90 90 LYS CA C 13 55.971 0.1 . 1 . . . . 90 LYS CA . 7209 1 1056 . 1 1 90 90 LYS CB C 13 33.382 0.1 . 1 . . . . 90 LYS CB . 7209 1 1057 . 1 1 90 90 LYS CG C 13 25.090 0.1 . 1 . . . . 90 LYS CG . 7209 1 1058 . 1 1 90 90 LYS CD C 13 29.150 0.1 . 1 . . . . 90 LYS CD . 7209 1 1059 . 1 1 90 90 LYS CE C 13 41.700 0.1 . 1 . . . . 90 LYS CE . 7209 1 1060 . 1 1 90 90 LYS N N 15 126.137 0.1 . 1 . . . . 90 LYS N . 7209 1 1061 . 1 1 91 91 ALA H H 1 8.845 0.02 . 1 . . . . 91 ALA H . 7209 1 1062 . 1 1 91 91 ALA HA H 1 4.713 0.02 . 1 . . . . 91 ALA HA . 7209 1 1063 . 1 1 91 91 ALA HB1 H 1 1.243 0.02 . 1 . . . . 91 ALA HB . 7209 1 1064 . 1 1 91 91 ALA HB2 H 1 1.243 0.02 . 1 . . . . 91 ALA HB . 7209 1 1065 . 1 1 91 91 ALA HB3 H 1 1.243 0.02 . 1 . . . . 91 ALA HB . 7209 1 1066 . 1 1 91 91 ALA C C 13 174.849 0.1 . 1 . . . . 91 ALA C . 7209 1 1067 . 1 1 91 91 ALA CA C 13 50.956 0.1 . 1 . . . . 91 ALA CA . 7209 1 1068 . 1 1 91 91 ALA CB C 13 22.547 0.1 . 1 . . . . 91 ALA CB . 7209 1 1069 . 1 1 91 91 ALA N N 15 127.378 0.1 . 1 . . . . 91 ALA N . 7209 1 1070 . 1 1 92 92 GLU H H 1 8.376 0.02 . 1 . . . . 92 GLU H . 7209 1 1071 . 1 1 92 92 GLU HA H 1 5.441 0.02 . 1 . . . . 92 GLU HA . 7209 1 1072 . 1 1 92 92 GLU HB2 H 1 1.770 0.02 . 2 . . . . 92 GLU HB2 . 7209 1 1073 . 1 1 92 92 GLU HB3 H 1 1.930 0.02 . 2 . . . . 92 GLU HB3 . 7209 1 1074 . 1 1 92 92 GLU HG2 H 1 2.065 0.02 . 1 . . . . 92 GLU HG2 . 7209 1 1075 . 1 1 92 92 GLU HG3 H 1 2.065 0.02 . 1 . . . . 92 GLU HG3 . 7209 1 1076 . 1 1 92 92 GLU C C 13 175.205 0.1 . 1 . . . . 92 GLU C . 7209 1 1077 . 1 1 92 92 GLU CA C 13 54.776 0.1 . 1 . . . . 92 GLU CA . 7209 1 1078 . 1 1 92 92 GLU CB C 13 33.942 0.1 . 1 . . . . 92 GLU CB . 7209 1 1079 . 1 1 92 92 GLU CG C 13 36.700 0.1 . 1 . . . . 92 GLU CG . 7209 1 1080 . 1 1 92 92 GLU N N 15 118.564 0.1 . 1 . . . . 92 GLU N . 7209 1 1081 . 1 1 93 93 LEU H H 1 8.915 0.02 . 1 . . . . 93 LEU H . 7209 1 1082 . 1 1 93 93 LEU HA H 1 4.772 0.02 . 1 . . . . 93 LEU HA . 7209 1 1083 . 1 1 93 93 LEU HB2 H 1 1.401 0.02 . 2 . . . . 93 LEU HB2 . 7209 1 1084 . 1 1 93 93 LEU HB3 H 1 1.707 0.02 . 2 . . . . 93 LEU HB3 . 7209 1 1085 . 1 1 93 93 LEU HG H 1 1.540 0.02 . 1 . . . . 93 LEU HG . 7209 1 1086 . 1 1 93 93 LEU HD11 H 1 0.772 0.02 . 2 . . . . 93 LEU HD1 . 7209 1 1087 . 1 1 93 93 LEU HD12 H 1 0.772 0.02 . 2 . . . . 93 LEU HD1 . 7209 1 1088 . 1 1 93 93 LEU HD13 H 1 0.772 0.02 . 2 . . . . 93 LEU HD1 . 7209 1 1089 . 1 1 93 93 LEU HD21 H 1 0.860 0.02 . 2 . . . . 93 LEU HD2 . 7209 1 1090 . 1 1 93 93 LEU HD22 H 1 0.860 0.02 . 2 . . . . 93 LEU HD2 . 7209 1 1091 . 1 1 93 93 LEU HD23 H 1 0.860 0.02 . 2 . . . . 93 LEU HD2 . 7209 1 1092 . 1 1 93 93 LEU C C 13 175.645 0.1 . 1 . . . . 93 LEU C . 7209 1 1093 . 1 1 93 93 LEU CA C 13 53.708 0.1 . 1 . . . . 93 LEU CA . 7209 1 1094 . 1 1 93 93 LEU CB C 13 43.975 0.1 . 1 . . . . 93 LEU CB . 7209 1 1095 . 1 1 93 93 LEU CG C 13 27.110 0.1 . 1 . . . . 93 LEU CG . 7209 1 1096 . 1 1 93 93 LEU CD1 C 13 26.320 0.1 . 2 . . . . 93 LEU CD1 . 7209 1 1097 . 1 1 93 93 LEU CD2 C 13 24.670 0.1 . 2 . . . . 93 LEU CD2 . 7209 1 1098 . 1 1 93 93 LEU N N 15 124.837 0.1 . 1 . . . . 93 LEU N . 7209 1 1099 . 1 1 94 94 LEU H H 1 8.785 0.02 . 1 . . . . 94 LEU H . 7209 1 1100 . 1 1 94 94 LEU HA H 1 4.571 0.02 . 1 . . . . 94 LEU HA . 7209 1 1101 . 1 1 94 94 LEU HB2 H 1 1.742 0.02 . 2 . . . . 94 LEU HB2 . 7209 1 1102 . 1 1 94 94 LEU HB3 H 1 1.628 0.02 . 2 . . . . 94 LEU HB3 . 7209 1 1103 . 1 1 94 94 LEU HG H 1 1.640 0.02 . 1 . . . . 94 LEU HG . 7209 1 1104 . 1 1 94 94 LEU HD11 H 1 0.942 0.02 . 2 . . . . 94 LEU HD1 . 7209 1 1105 . 1 1 94 94 LEU HD12 H 1 0.942 0.02 . 2 . . . . 94 LEU HD1 . 7209 1 1106 . 1 1 94 94 LEU HD13 H 1 0.942 0.02 . 2 . . . . 94 LEU HD1 . 7209 1 1107 . 1 1 94 94 LEU HD21 H 1 0.880 0.02 . 2 . . . . 94 LEU HD2 . 7209 1 1108 . 1 1 94 94 LEU HD22 H 1 0.880 0.02 . 2 . . . . 94 LEU HD2 . 7209 1 1109 . 1 1 94 94 LEU HD23 H 1 0.880 0.02 . 2 . . . . 94 LEU HD2 . 7209 1 1110 . 1 1 94 94 LEU C C 13 177.669 0.1 . 1 . . . . 94 LEU C . 7209 1 1111 . 1 1 94 94 LEU CA C 13 54.704 0.1 . 1 . . . . 94 LEU CA . 7209 1 1112 . 1 1 94 94 LEU CB C 13 42.357 0.1 . 1 . . . . 94 LEU CB . 7209 1 1113 . 1 1 94 94 LEU CG C 13 27.167 0.1 . 1 . . . . 94 LEU CG . 7209 1 1114 . 1 1 94 94 LEU CD1 C 13 23.470 0.1 . 2 . . . . 94 LEU CD1 . 7209 1 1115 . 1 1 94 94 LEU CD2 C 13 23.460 0.1 . 2 . . . . 94 LEU CD2 . 7209 1 1116 . 1 1 94 94 LEU N N 15 123.724 0.1 . 1 . . . . 94 LEU N . 7209 1 1117 . 1 1 95 95 LEU H H 1 7.782 0.02 . 1 . . . . 95 LEU H . 7209 1 1118 . 1 1 95 95 LEU HA H 1 3.896 0.02 . 1 . . . . 95 LEU HA . 7209 1 1119 . 1 1 95 95 LEU HB2 H 1 1.200 0.02 . 1 . . . . 95 LEU HB2 . 7209 1 1120 . 1 1 95 95 LEU HB3 H 1 1.200 0.02 . 1 . . . . 95 LEU HB3 . 7209 1 1121 . 1 1 95 95 LEU HG H 1 1.191 0.02 . 1 . . . . 95 LEU HG . 7209 1 1122 . 1 1 95 95 LEU HD11 H 1 0.107 0.02 . 2 . . . . 95 LEU HD1 . 7209 1 1123 . 1 1 95 95 LEU HD12 H 1 0.107 0.02 . 2 . . . . 95 LEU HD1 . 7209 1 1124 . 1 1 95 95 LEU HD13 H 1 0.107 0.02 . 2 . . . . 95 LEU HD1 . 7209 1 1125 . 1 1 95 95 LEU HD21 H 1 0.864 0.02 . 2 . . . . 95 LEU HD2 . 7209 1 1126 . 1 1 95 95 LEU HD22 H 1 0.864 0.02 . 2 . . . . 95 LEU HD2 . 7209 1 1127 . 1 1 95 95 LEU HD23 H 1 0.864 0.02 . 2 . . . . 95 LEU HD2 . 7209 1 1128 . 1 1 95 95 LEU C C 13 176.896 0.1 . 1 . . . . 95 LEU C . 7209 1 1129 . 1 1 95 95 LEU CA C 13 56.602 0.1 . 1 . . . . 95 LEU CA . 7209 1 1130 . 1 1 95 95 LEU CB C 13 41.451 0.1 . 1 . . . . 95 LEU CB . 7209 1 1131 . 1 1 95 95 LEU CG C 13 26.850 0.1 . 1 . . . . 95 LEU CG . 7209 1 1132 . 1 1 95 95 LEU CD1 C 13 22.163 0.1 . 2 . . . . 95 LEU CD1 . 7209 1 1133 . 1 1 95 95 LEU CD2 C 13 25.057 0.1 . 2 . . . . 95 LEU CD2 . 7209 1 1134 . 1 1 95 95 LEU N N 15 123.539 0.1 . 1 . . . . 95 LEU N . 7209 1 1135 . 1 1 96 96 ASN H H 1 8.954 0.02 . 1 . . . . 96 ASN H . 7209 1 1136 . 1 1 96 96 ASN HA H 1 4.804 0.02 . 1 . . . . 96 ASN HA . 7209 1 1137 . 1 1 96 96 ASN HB2 H 1 2.777 0.02 . 1 . . . . 96 ASN HB2 . 7209 1 1138 . 1 1 96 96 ASN HB3 H 1 2.777 0.02 . 1 . . . . 96 ASN HB3 . 7209 1 1139 . 1 1 96 96 ASN HD21 H 1 6.975 0.02 . 1 . . . . 96 ASN HD21 . 7209 1 1140 . 1 1 96 96 ASN HD22 H 1 7.530 0.02 . 1 . . . . 96 ASN HD22 . 7209 1 1141 . 1 1 96 96 ASN C C 13 174.264 0.1 . 1 . . . . 96 ASN C . 7209 1 1142 . 1 1 96 96 ASN CA C 13 53.150 0.1 . 1 . . . . 96 ASN CA . 7209 1 1143 . 1 1 96 96 ASN CB C 13 39.712 0.1 . 1 . . . . 96 ASN CB . 7209 1 1144 . 1 1 96 96 ASN N N 15 125.921 0.1 . 1 . . . . 96 ASN N . 7209 1 1145 . 1 1 96 96 ASN ND2 N 15 112.440 0.1 . 1 . . . . 96 ASN ND2 . 7209 1 1146 . 1 1 97 97 SER H H 1 8.282 0.02 . 1 . . . . 97 SER H . 7209 1 1147 . 1 1 97 97 SER HA H 1 4.463 0.02 . 1 . . . . 97 SER HA . 7209 1 1148 . 1 1 97 97 SER HB2 H 1 3.896 0.02 . 2 . . . . 97 SER HB2 . 7209 1 1149 . 1 1 97 97 SER HB3 H 1 3.769 0.02 . 2 . . . . 97 SER HB3 . 7209 1 1150 . 1 1 97 97 SER C C 13 174.839 0.1 . 1 . . . . 97 SER C . 7209 1 1151 . 1 1 97 97 SER CA C 13 58.160 0.1 . 1 . . . . 97 SER CA . 7209 1 1152 . 1 1 97 97 SER CB C 13 63.964 0.1 . 1 . . . . 97 SER CB . 7209 1 1153 . 1 1 97 97 SER N N 15 116.588 0.1 . 1 . . . . 97 SER N . 7209 1 1154 . 1 1 98 98 SER H H 1 8.388 0.02 . 1 . . . . 98 SER H . 7209 1 1155 . 1 1 98 98 SER HA H 1 4.471 0.02 . 1 . . . . 98 SER HA . 7209 1 1156 . 1 1 98 98 SER HB2 H 1 3.872 0.02 . 2 . . . . 98 SER HB2 . 7209 1 1157 . 1 1 98 98 SER HB3 H 1 3.863 0.02 . 2 . . . . 98 SER HB3 . 7209 1 1158 . 1 1 98 98 SER C C 13 174.332 0.1 . 1 . . . . 98 SER C . 7209 1 1159 . 1 1 98 98 SER CA C 13 58.646 0.1 . 1 . . . . 98 SER CA . 7209 1 1160 . 1 1 98 98 SER CB C 13 63.964 0.1 . 1 . . . . 98 SER CB . 7209 1 1161 . 1 1 98 98 SER N N 15 118.028 0.1 . 1 . . . . 98 SER N . 7209 1 1162 . 1 1 99 99 ASP H H 1 8.415 0.02 . 1 . . . . 99 ASP H . 7209 1 1163 . 1 1 99 99 ASP HA H 1 4.591 0.02 . 1 . . . . 99 ASP HA . 7209 1 1164 . 1 1 99 99 ASP HB2 H 1 2.680 0.02 . 1 . . . . 99 ASP HB2 . 7209 1 1165 . 1 1 99 99 ASP HB3 H 1 2.680 0.02 . 1 . . . . 99 ASP HB3 . 7209 1 1166 . 1 1 99 99 ASP C C 13 176.139 0.1 . 1 . . . . 99 ASP C . 7209 1 1167 . 1 1 99 99 ASP CA C 13 54.552 0.1 . 1 . . . . 99 ASP CA . 7209 1 1168 . 1 1 99 99 ASP CB C 13 41.163 0.1 . 1 . . . . 99 ASP CB . 7209 1 1169 . 1 1 99 99 ASP N N 15 122.520 0.1 . 1 . . . . 99 ASP N . 7209 1 1170 . 1 1 100 100 LYS H H 1 8.175 0.02 . 1 . . . . 100 LYS H . 7209 1 1171 . 1 1 100 100 LYS HA H 1 4.312 0.02 . 1 . . . . 100 LYS HA . 7209 1 1172 . 1 1 100 100 LYS HB2 H 1 1.765 0.02 . 1 . . . . 100 LYS HB2 . 7209 1 1173 . 1 1 100 100 LYS HB3 H 1 1.765 0.02 . 1 . . . . 100 LYS HB3 . 7209 1 1174 . 1 1 100 100 LYS HG2 H 1 1.414 0.02 . 1 . . . . 100 LYS HG2 . 7209 1 1175 . 1 1 100 100 LYS HG3 H 1 1.414 0.02 . 1 . . . . 100 LYS HG3 . 7209 1 1176 . 1 1 100 100 LYS HD2 H 1 1.693 0.02 . 1 . . . . 100 LYS HD2 . 7209 1 1177 . 1 1 100 100 LYS HD3 H 1 1.693 0.02 . 1 . . . . 100 LYS HD3 . 7209 1 1178 . 1 1 100 100 LYS HE2 H 1 3.000 0.02 . 1 . . . . 100 LYS HE2 . 7209 1 1179 . 1 1 100 100 LYS HE3 H 1 3.000 0.02 . 1 . . . . 100 LYS HE3 . 7209 1 1180 . 1 1 100 100 LYS C C 13 176.342 0.1 . 1 . . . . 100 LYS C . 7209 1 1181 . 1 1 100 100 LYS CA C 13 56.184 0.1 . 1 . . . . 100 LYS CA . 7209 1 1182 . 1 1 100 100 LYS CB C 13 33.006 0.1 . 1 . . . . 100 LYS CB . 7209 1 1183 . 1 1 100 100 LYS CG C 13 24.790 0.1 . 1 . . . . 100 LYS CG . 7209 1 1184 . 1 1 100 100 LYS CD C 13 28.960 0.1 . 1 . . . . 100 LYS CD . 7209 1 1185 . 1 1 100 100 LYS CE C 13 41.870 0.1 . 1 . . . . 100 LYS CE . 7209 1 1186 . 1 1 100 100 LYS N N 15 121.166 0.1 . 1 . . . . 100 LYS N . 7209 1 1187 . 1 1 101 101 ASN H H 1 8.428 0.02 . 1 . . . . 101 ASN H . 7209 1 1188 . 1 1 101 101 ASN HA H 1 4.764 0.02 . 1 . . . . 101 ASN HA . 7209 1 1189 . 1 1 101 101 ASN HB2 H 1 2.816 0.02 . 1 . . . . 101 ASN HB2 . 7209 1 1190 . 1 1 101 101 ASN HB3 H 1 2.816 0.02 . 1 . . . . 101 ASN HB3 . 7209 1 1191 . 1 1 101 101 ASN C C 13 176.670 0.1 . 1 . . . . 101 ASN C . 7209 1 1192 . 1 1 101 101 ASN CA C 13 53.484 0.1 . 1 . . . . 101 ASN CA . 7209 1 1193 . 1 1 101 101 ASN CB C 13 39.143 0.1 . 1 . . . . 101 ASN CB . 7209 1 1194 . 1 1 101 101 ASN N N 15 119.596 0.1 . 1 . . . . 101 ASN N . 7209 1 1195 . 1 1 102 102 THR H H 1 8.059 0.02 . 1 . . . . 102 THR H . 7209 1 1196 . 1 1 102 102 THR HA H 1 4.283 0.02 . 1 . . . . 102 THR HA . 7209 1 1197 . 1 1 102 102 THR HB H 1 4.284 0.02 . 1 . . . . 102 THR HB . 7209 1 1198 . 1 1 102 102 THR HG21 H 1 1.180 0.02 . 1 . . . . 102 THR HG2 . 7209 1 1199 . 1 1 102 102 THR HG22 H 1 1.180 0.02 . 1 . . . . 102 THR HG2 . 7209 1 1200 . 1 1 102 102 THR HG23 H 1 1.180 0.02 . 1 . . . . 102 THR HG2 . 7209 1 1201 . 1 1 102 102 THR C C 13 174.250 0.1 . 1 . . . . 102 THR C . 7209 1 1202 . 1 1 102 102 THR CA C 13 61.722 0.1 . 1 . . . . 102 THR CA . 7209 1 1203 . 1 1 102 102 THR CB C 13 69.826 0.1 . 1 . . . . 102 THR CB . 7209 1 1204 . 1 1 102 102 THR CG2 C 13 21.250 0.1 . 1 . . . . 102 THR CG2 . 7209 1 1205 . 1 1 102 102 THR N N 15 114.188 0.1 . 1 . . . . 102 THR N . 7209 1 1206 . 1 1 103 103 GLU H H 1 8.322 0.02 . 1 . . . . 103 GLU H . 7209 1 1207 . 1 1 103 103 GLU HA H 1 4.370 0.02 . 1 . . . . 103 GLU HA . 7209 1 1208 . 1 1 103 103 GLU HB2 H 1 1.994 0.02 . 1 . . . . 103 GLU HB2 . 7209 1 1209 . 1 1 103 103 GLU HB3 H 1 1.994 0.02 . 1 . . . . 103 GLU HB3 . 7209 1 1210 . 1 1 103 103 GLU HG2 H 1 2.286 0.02 . 1 . . . . 103 GLU HG2 . 7209 1 1211 . 1 1 103 103 GLU HG3 H 1 2.286 0.02 . 1 . . . . 103 GLU HG3 . 7209 1 1212 . 1 1 103 103 GLU C C 13 176.106 0.1 . 1 . . . . 103 GLU C . 7209 1 1213 . 1 1 103 103 GLU CA C 13 56.045 0.1 . 1 . . . . 103 GLU CA . 7209 1 1214 . 1 1 103 103 GLU CB C 13 30.900 0.1 . 1 . . . . 103 GLU CB . 7209 1 1215 . 1 1 103 103 GLU CG C 13 36.400 0.1 . 1 . . . . 103 GLU CG . 7209 1 1216 . 1 1 103 103 GLU N N 15 122.934 0.1 . 1 . . . . 103 GLU N . 7209 1 1217 . 1 1 104 104 GLN H H 1 8.476 0.02 . 1 . . . . 104 GLN H . 7209 1 1218 . 1 1 104 104 GLN HA H 1 4.520 0.02 . 1 . . . . 104 GLN HA . 7209 1 1219 . 1 1 104 104 GLN HB2 H 1 2.037 0.02 . 2 . . . . 104 GLN HB2 . 7209 1 1220 . 1 1 104 104 GLN HB3 H 1 2.032 0.02 . 2 . . . . 104 GLN HB3 . 7209 1 1221 . 1 1 104 104 GLN HG2 H 1 2.550 0.02 . 1 . . . . 104 GLN HG2 . 7209 1 1222 . 1 1 104 104 GLN HG3 H 1 2.550 0.02 . 1 . . . . 104 GLN HG3 . 7209 1 1223 . 1 1 104 104 GLN C C 13 176.200 0.1 . 1 . . . . 104 GLN C . 7209 1 1224 . 1 1 104 104 GLN CA C 13 55.491 0.1 . 1 . . . . 104 GLN CA . 7209 1 1225 . 1 1 104 104 GLN CB C 13 30.162 0.1 . 1 . . . . 104 GLN CB . 7209 1 1226 . 1 1 104 104 GLN CG C 13 32.173 0.1 . 1 . . . . 104 GLN CG . 7209 1 1227 . 1 1 104 104 GLN N N 15 122.411 0.1 . 1 . . . . 104 GLN N . 7209 1 1228 . 1 1 105 105 ALA H H 1 8.245 0.02 . 1 . . . . 105 ALA H . 7209 1 1229 . 1 1 105 105 ALA HA H 1 4.290 0.02 . 1 . . . . 105 ALA HA . 7209 1 1230 . 1 1 105 105 ALA HB1 H 1 1.391 0.02 . 1 . . . . 105 ALA HB . 7209 1 1231 . 1 1 105 105 ALA HB2 H 1 1.391 0.02 . 1 . . . . 105 ALA HB . 7209 1 1232 . 1 1 105 105 ALA HB3 H 1 1.391 0.02 . 1 . . . . 105 ALA HB . 7209 1 1233 . 1 1 105 105 ALA C C 13 175.700 0.1 . 1 . . . . 105 ALA C . 7209 1 1234 . 1 1 105 105 ALA CA C 13 52.310 0.1 . 1 . . . . 105 ALA CA . 7209 1 1235 . 1 1 105 105 ALA CB C 13 19.163 0.1 . 1 . . . . 105 ALA CB . 7209 1 1236 . 1 1 105 105 ALA N N 15 125.530 0.1 . 1 . . . . 105 ALA N . 7209 1 1237 . 1 1 106 106 ALA H H 1 8.254 0.02 . 1 . . . . 106 ALA H . 7209 1 1238 . 1 1 106 106 ALA HA H 1 4.290 0.02 . 1 . . . . 106 ALA HA . 7209 1 1239 . 1 1 106 106 ALA HB1 H 1 1.390 0.02 . 1 . . . . 106 ALA HB . 7209 1 1240 . 1 1 106 106 ALA HB2 H 1 1.390 0.02 . 1 . . . . 106 ALA HB . 7209 1 1241 . 1 1 106 106 ALA HB3 H 1 1.390 0.02 . 1 . . . . 106 ALA HB . 7209 1 1242 . 1 1 106 106 ALA CA C 13 52.309 0.1 . 1 . . . . 106 ALA CA . 7209 1 1243 . 1 1 106 106 ALA CB C 13 19.163 0.1 . 1 . . . . 106 ALA CB . 7209 1 1244 . 1 1 106 106 ALA N N 15 123.482 0.1 . 1 . . . . 106 ALA N . 7209 1 1245 . 1 1 107 107 ALA H H 1 8.163 0.02 . 1 . . . . 107 ALA H . 7209 1 1246 . 1 1 107 107 ALA HA H 1 4.287 0.02 . 1 . . . . 107 ALA HA . 7209 1 1247 . 1 1 107 107 ALA HB1 H 1 1.378 0.02 . 1 . . . . 107 ALA HB . 7209 1 1248 . 1 1 107 107 ALA HB2 H 1 1.378 0.02 . 1 . . . . 107 ALA HB . 7209 1 1249 . 1 1 107 107 ALA HB3 H 1 1.378 0.02 . 1 . . . . 107 ALA HB . 7209 1 1250 . 1 1 107 107 ALA CA C 13 52.309 0.1 . 1 . . . . 107 ALA CA . 7209 1 1251 . 1 1 107 107 ALA CB C 13 19.163 0.1 . 1 . . . . 107 ALA CB . 7209 1 1252 . 1 1 107 107 ALA N N 15 123.551 0.1 . 1 . . . . 107 ALA N . 7209 1 1253 . 1 1 108 108 PRO HA H 1 4.420 0.02 . 1 . . . . 108 PRO HA . 7209 1 1254 . 1 1 108 108 PRO HB2 H 1 1.975 0.02 . 1 . . . . 108 PRO HB2 . 7209 1 1255 . 1 1 108 108 PRO HB3 H 1 1.975 0.02 . 1 . . . . 108 PRO HB3 . 7209 1 1256 . 1 1 108 108 PRO C C 13 175.800 0.1 . 1 . . . . 108 PRO C . 7209 1 1257 . 1 1 108 108 PRO CA C 13 62.200 0.1 . 1 . . . . 108 PRO CA . 7209 1 1258 . 1 1 108 108 PRO CB C 13 32.860 0.1 . 1 . . . . 108 PRO CB . 7209 1 1259 . 1 1 109 109 ALA H H 1 8.330 0.02 . 1 . . . . 109 ALA H . 7209 1 1260 . 1 1 109 109 ALA HA H 1 4.316 0.02 . 1 . . . . 109 ALA HA . 7209 1 1261 . 1 1 109 109 ALA HB1 H 1 1.392 0.02 . 1 . . . . 109 ALA HB . 7209 1 1262 . 1 1 109 109 ALA HB2 H 1 1.392 0.02 . 1 . . . . 109 ALA HB . 7209 1 1263 . 1 1 109 109 ALA HB3 H 1 1.392 0.02 . 1 . . . . 109 ALA HB . 7209 1 1264 . 1 1 109 109 ALA C C 13 175.120 0.1 . 1 . . . . 109 ALA C . 7209 1 1265 . 1 1 109 109 ALA CA C 13 52.314 0.1 . 1 . . . . 109 ALA CA . 7209 1 1266 . 1 1 109 109 ALA CB C 13 18.938 0.1 . 1 . . . . 109 ALA CB . 7209 1 1267 . 1 1 109 109 ALA N N 15 124.577 0.1 . 1 . . . . 109 ALA N . 7209 1 1268 . 1 1 110 110 ALA H H 1 8.256 0.02 . 1 . . . . 110 ALA H . 7209 1 1269 . 1 1 110 110 ALA HA H 1 4.311 0.02 . 1 . . . . 110 ALA HA . 7209 1 1270 . 1 1 110 110 ALA HB1 H 1 1.390 0.02 . 1 . . . . 110 ALA HB . 7209 1 1271 . 1 1 110 110 ALA HB2 H 1 1.390 0.02 . 1 . . . . 110 ALA HB . 7209 1 1272 . 1 1 110 110 ALA HB3 H 1 1.390 0.02 . 1 . . . . 110 ALA HB . 7209 1 1273 . 1 1 110 110 ALA C C 13 176.259 0.1 . 1 . . . . 110 ALA C . 7209 1 1274 . 1 1 110 110 ALA CA C 13 52.351 0.1 . 1 . . . . 110 ALA CA . 7209 1 1275 . 1 1 110 110 ALA CB C 13 19.535 0.1 . 1 . . . . 110 ALA CB . 7209 1 1276 . 1 1 110 110 ALA N N 15 123.864 0.1 . 1 . . . . 110 ALA N . 7209 1 1277 . 1 1 111 111 GLU H H 1 8.334 0.02 . 1 . . . . 111 GLU H . 7209 1 1278 . 1 1 111 111 GLU HA H 1 4.299 0.02 . 1 . . . . 111 GLU HA . 7209 1 1279 . 1 1 111 111 GLU HB2 H 1 1.965 0.02 . 1 . . . . 111 GLU HB2 . 7209 1 1280 . 1 1 111 111 GLU HB3 H 1 1.965 0.02 . 1 . . . . 111 GLU HB3 . 7209 1 1281 . 1 1 111 111 GLU HG2 H 1 2.304 0.02 . 1 . . . . 111 GLU HG2 . 7209 1 1282 . 1 1 111 111 GLU HG3 H 1 2.304 0.02 . 1 . . . . 111 GLU HG3 . 7209 1 1283 . 1 1 111 111 GLU CA C 13 56.730 0.1 . 1 . . . . 111 GLU CA . 7209 1 1284 . 1 1 111 111 GLU CB C 13 30.312 0.1 . 1 . . . . 111 GLU CB . 7209 1 1285 . 1 1 111 111 GLU CG C 13 36.210 0.1 . 1 . . . . 111 GLU CG . 7209 1 1286 . 1 1 111 111 GLU N N 15 119.979 0.1 . 1 . . . . 111 GLU N . 7209 1 1287 . 1 1 112 112 GLN H H 1 8.282 0.02 . 1 . . . . 112 GLN H . 7209 1 1288 . 1 1 112 112 GLN HA H 1 4.293 0.02 . 1 . . . . 112 GLN HA . 7209 1 1289 . 1 1 112 112 GLN HB2 H 1 2.020 0.02 . 1 . . . . 112 GLN HB2 . 7209 1 1290 . 1 1 112 112 GLN HB3 H 1 2.020 0.02 . 1 . . . . 112 GLN HB3 . 7209 1 1291 . 1 1 112 112 GLN HG2 H 1 2.381 0.02 . 1 . . . . 112 GLN HG2 . 7209 1 1292 . 1 1 112 112 GLN HG3 H 1 2.381 0.02 . 1 . . . . 112 GLN HG3 . 7209 1 1293 . 1 1 112 112 GLN CA C 13 56.390 0.1 . 1 . . . . 112 GLN CA . 7209 1 1294 . 1 1 112 112 GLN CB C 13 29.700 0.1 . 1 . . . . 112 GLN CB . 7209 1 1295 . 1 1 112 112 GLN CG C 13 33.799 0.1 . 1 . . . . 112 GLN CG . 7209 1 1296 . 1 1 112 112 GLN N N 15 121.271 0.1 . 1 . . . . 112 GLN N . 7209 1 1297 . 1 1 113 113 ASN H H 1 8.087 0.02 . 1 . . . . 113 ASN H . 7209 1 1298 . 1 1 113 113 ASN HA H 1 4.522 0.02 . 1 . . . . 113 ASN HA . 7209 1 1299 . 1 1 113 113 ASN HB2 H 1 2.722 0.02 . 1 . . . . 113 ASN HB2 . 7209 1 1300 . 1 1 113 113 ASN HB3 H 1 2.722 0.02 . 1 . . . . 113 ASN HB3 . 7209 1 1301 . 1 1 113 113 ASN N N 15 125.985 0.1 . 1 . . . . 113 ASN N . 7209 1 stop_ save_