data_16658 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16658 _Entry.Title ; Heterodimeric association of Transmembrane domains of ErbB1 and ErbB2 receptors Enabling Kinase Activation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-12-24 _Entry.Accession_date 2009-12-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'solution structure of Heterodimer of transmembrane segments of EGFR and ErbB2 receptors in DHPC/DMPC q=0.25 bicelles' _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 Konstantin MIneev . S. . 16658 2 Eduard Bocharov . V. . 16658 3 Yulia Pustovalova . E. . 16658 4 Olga Bocharova . V. . 16658 5 Vladimir Chupin . V. . 16658 6 Alexander Arseniev . S. . 16658 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'IBCh RAS' . 16658 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16658 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 351 16658 '15N chemical shifts' 78 16658 '1H chemical shifts' 661 16658 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 . . 2010-08-12 2009-12-24 update BMRB 'Complete entry citation' 16658 1 . . 2010-05-20 2009-12-24 original author 'original release' 16658 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2jwa . 16658 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16658 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20471394 _Citation.Full_citation . _Citation.Title 'Spatial structure of the transmembrane domain heterodimer of ErbB1 and ErbB2 receptor tyrosine kinases.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 400 _Citation.Journal_issue 2 _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 231 _Citation.Page_last 243 _Citation.Year 2010 _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 Konstantin Mineev . S. . 16658 1 2 Eduard Bocharov . V. . 16658 1 3 Yulia Pustovalova . E. . 16658 1 4 Olga Bocharova . V. . 16658 1 5 Vladimir Chupin . V. . 16658 1 6 Alexander Arseniev . S. . 16658 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID bicelles 16658 1 EGFR 16658 1 ErbB2 16658 1 heterodimer 16658 1 'receptor tyrosine kinase' 16658 1 'solution NMR' 16658 1 structure 16658 1 transmembrane 16658 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16658 _Assembly.ID 1 _Assembly.Name B1B2 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'heterodimer of transmembrane segments of receptor kinases EGFR and ErbB2' _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 'EGFR TM segment' 1 $ErbB1TM A . yes native no no . . . 16658 1 2 'ErbB2 TM segment' 2 $ErbB2TM B . yes native no no . . . 16658 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID mitogenic 16658 1 'regulation of proliferation' 16658 1 tumourogenic 16658 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ErbB1TM _Entity.Sf_category entity _Entity.Sf_framecode ErbB1TM _Entity.Entry_ID 16658 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ErbB1TM _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 ; EGCPTNGPKIPSIATGMVGA LLLLLVVALGIGLFMRRRHI VRKR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 134 E 177 R ; _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 44 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18804 . ErbB1tm . . . . . 100.00 44 100.00 100.00 1.29e-20 . . . . 16658 1 2 no BMRB 25729 . EGFR . . . . . 81.82 54 100.00 100.00 8.91e-04 . . . . 16658 1 3 no PDB 2KS1 . "Heterodimeric Association Of Transmembrane Domains Of Erbb1 Receptors Enabling Kinase Activation" . . . . . 100.00 44 100.00 100.00 1.29e-20 . . . . 16658 1 4 no PDB 2M0B . "Homodimeric Transmembrane Domain Of The Human Receptor Tyrosine Kinase Erbb1 (egfr, Her1) In Micelles" . . . . . 100.00 44 100.00 100.00 1.29e-20 . . . . 16658 1 5 no PDB 2N5S . "Spatial Structure Of Egfr Transmembrane And Juxtamembrane Domains In Dpc Micelles" . . . . . 81.82 54 100.00 100.00 8.91e-04 . . . . 16658 1 6 no DBJ BAD92679 . "epidermal growth factor receptor isoform a variant [Homo sapiens]" . . . . . 100.00 1081 100.00 100.00 7.02e-21 . . . . 16658 1 7 no DBJ BAF83041 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1210 100.00 100.00 7.50e-21 . . . . 16658 1 8 no DBJ BAH11869 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1157 100.00 100.00 7.32e-21 . . . . 16658 1 9 no DBJ BAI46646 . "epidermal growth factor receptor [synthetic construct]" . . . . . 100.00 1210 100.00 100.00 7.50e-21 . . . . 16658 1 10 no EMBL CAA25240 . "epidermal growth factor receptor [Homo sapiens]" . . . . . 100.00 1210 100.00 100.00 7.50e-21 . . . . 16658 1 11 no EMBL CAA25282 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 800 100.00 100.00 1.78e-20 . . . . 16658 1 12 no GB AAG35789 . "p170 epidermal growth factor receptor [Homo sapiens]" . . . . . 100.00 1210 100.00 100.00 7.50e-21 . . . . 16658 1 13 no GB AAG43243 . "epidermal growth factor receptor, partial [Homo sapiens]" . . . . . 100.00 113 100.00 100.00 4.82e-20 . . . . 16658 1 14 no GB AAH94761 . "EGFR protein [Homo sapiens]" . . . . . 100.00 1091 100.00 100.00 9.72e-21 . . . . 16658 1 15 no GB AAS83109 . "epidermal growth factor receptor (erythroblastic leukemia viral (v-erb-b) oncogene homolog, avian) [Homo sapiens]" . . . . . 100.00 1210 100.00 100.00 7.50e-21 . . . . 16658 1 16 no GB AAT52212 . "cell growth inhibiting protein 40 [Homo sapiens]" . . . . . 100.00 1210 100.00 100.00 7.50e-21 . . . . 16658 1 17 no PRF 1006266A . "epidermal growth factor receptor" . . . . . 100.00 1210 100.00 100.00 7.50e-21 . . . . 16658 1 18 no REF NP_005219 . "epidermal growth factor receptor isoform a precursor [Homo sapiens]" . . . . . 100.00 1210 100.00 100.00 7.50e-21 . . . . 16658 1 19 no REF XP_004045514 . "PREDICTED: epidermal growth factor receptor [Gorilla gorilla gorilla]" . . . . . 100.00 1157 97.73 100.00 1.11e-20 . . . . 16658 1 20 no REF XP_008967087 . "PREDICTED: epidermal growth factor receptor [Pan paniscus]" . . . . . 100.00 1157 100.00 100.00 7.32e-21 . . . . 16658 1 21 no REF XP_519102 . "PREDICTED: epidermal growth factor receptor isoform X1 [Pan troglodytes]" . . . . . 100.00 1210 100.00 100.00 7.50e-21 . . . . 16658 1 22 no SP P00533 . "RecName: Full=Epidermal growth factor receptor; AltName: Full=Proto-oncogene c-ErbB-1; AltName: Full=Receptor tyrosine-protein " . . . . . 100.00 1210 100.00 100.00 7.50e-21 . . . . 16658 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transmembrane segment of receptor tyrosine kinase EGFR' 16658 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 1 134 GLU . 16658 1 2 135 GLY . 16658 1 3 136 CYS . 16658 1 4 137 PRO . 16658 1 5 138 THR . 16658 1 6 139 ASN . 16658 1 7 140 GLY . 16658 1 8 141 PRO . 16658 1 9 142 LYS . 16658 1 10 143 ILE . 16658 1 11 144 PRO . 16658 1 12 145 SER . 16658 1 13 146 ILE . 16658 1 14 147 ALA . 16658 1 15 148 THR . 16658 1 16 149 GLY . 16658 1 17 150 MET . 16658 1 18 151 VAL . 16658 1 19 152 GLY . 16658 1 20 153 ALA . 16658 1 21 154 LEU . 16658 1 22 155 LEU . 16658 1 23 156 LEU . 16658 1 24 157 LEU . 16658 1 25 158 LEU . 16658 1 26 159 VAL . 16658 1 27 160 VAL . 16658 1 28 161 ALA . 16658 1 29 162 LEU . 16658 1 30 163 GLY . 16658 1 31 164 ILE . 16658 1 32 165 GLY . 16658 1 33 166 LEU . 16658 1 34 167 PHE . 16658 1 35 168 MET . 16658 1 36 169 ARG . 16658 1 37 170 ARG . 16658 1 38 171 ARG . 16658 1 39 172 HIS . 16658 1 40 173 ILE . 16658 1 41 174 VAL . 16658 1 42 175 ARG . 16658 1 43 176 LYS . 16658 1 44 177 ARG . 16658 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 16658 1 . GLY 2 2 16658 1 . CYS 3 3 16658 1 . PRO 4 4 16658 1 . THR 5 5 16658 1 . ASN 6 6 16658 1 . GLY 7 7 16658 1 . PRO 8 8 16658 1 . LYS 9 9 16658 1 . ILE 10 10 16658 1 . PRO 11 11 16658 1 . SER 12 12 16658 1 . ILE 13 13 16658 1 . ALA 14 14 16658 1 . THR 15 15 16658 1 . GLY 16 16 16658 1 . MET 17 17 16658 1 . VAL 18 18 16658 1 . GLY 19 19 16658 1 . ALA 20 20 16658 1 . LEU 21 21 16658 1 . LEU 22 22 16658 1 . LEU 23 23 16658 1 . LEU 24 24 16658 1 . LEU 25 25 16658 1 . VAL 26 26 16658 1 . VAL 27 27 16658 1 . ALA 28 28 16658 1 . LEU 29 29 16658 1 . GLY 30 30 16658 1 . ILE 31 31 16658 1 . GLY 32 32 16658 1 . LEU 33 33 16658 1 . PHE 34 34 16658 1 . MET 35 35 16658 1 . ARG 36 36 16658 1 . ARG 37 37 16658 1 . ARG 38 38 16658 1 . HIS 39 39 16658 1 . ILE 40 40 16658 1 . VAL 41 41 16658 1 . ARG 42 42 16658 1 . LYS 43 43 16658 1 . ARG 44 44 16658 1 stop_ save_ save_ErbB2TM _Entity.Sf_category entity _Entity.Sf_framecode ErbB2TM _Entity.Entry_ID 16658 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ErbB2TM _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 ; GCPAEQRASPLTSIISAVVG ILLVVVLGVVFGILIKRRQQ KIRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 41 G 84 K ; _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 44 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15231 . ErbB2 . . . . . 100.00 44 100.00 100.00 1.35e-19 . . . . 16658 2 2 no PDB 2JWA . "Erbb2 Transmembrane Segment Dimer Spatial Structure" . . . . . 100.00 44 100.00 100.00 1.35e-19 . . . . 16658 2 3 no PDB 2KS1 . "Heterodimeric Association Of Transmembrane Domains Of Erbb1 Receptors Enabling Kinase Activation" . . . . . 100.00 44 100.00 100.00 1.35e-19 . . . . 16658 2 4 no DBJ BAG58195 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1240 100.00 100.00 3.69e-19 . . . . 16658 2 5 no DBJ BAG62073 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 979 100.00 100.00 4.80e-19 . . . . 16658 2 6 no DBJ BAJ17684 . "v-erb-b2 erythroblastic leukemia viral oncogene homolog 2, neuro/glioblastoma derived oncogene homolog [synthetic construct]" . . . . . 100.00 1352 100.00 100.00 5.43e-19 . . . . 16658 2 7 no EMBL CAA27060 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1255 100.00 100.00 4.38e-19 . . . . 16658 2 8 no GB AAA75493 . "HER2 receptor [Homo sapiens]" . . . . . 100.00 1255 97.73 100.00 7.09e-19 . . . . 16658 2 9 no GB AAI56756 . "V-erb-b2 erythroblastic leukemia viral oncogene homolog 2, neuro/glioblastoma derived oncogene homolog (avian) [synthetic const" . . . . . 100.00 1255 100.00 100.00 4.38e-19 . . . . 16658 2 10 no GB AAI67147 . "V-erb-b2 erythroblastic leukemia viral oncogene homolog 2, neuro/glioblastoma derived oncogene homolog (avian) [Homo sapiens]" . . . . . 100.00 1255 100.00 100.00 4.38e-19 . . . . 16658 2 11 no GB AAO18082 . "v-erb-b2 erythroblastic leukemia viral oncogene homolog 2, neuro/glioblastoma derived oncogene homolog (avian) [Homo sapiens]" . . . . . 100.00 1255 100.00 100.00 4.38e-19 . . . . 16658 2 12 no GB AAX40997 . "v-erb-b2 erythroblastic leukemia viral oncogene-like 2 [synthetic construct]" . . . . . 100.00 1256 100.00 100.00 4.47e-19 . . . . 16658 2 13 no PRF 1202345A . "gene c-erbB2" . . . . . 100.00 1255 100.00 100.00 4.38e-19 . . . . 16658 2 14 no REF NP_001005862 . "receptor tyrosine-protein kinase erbB-2 isoform b [Homo sapiens]" . . . . . 100.00 1225 100.00 100.00 4.16e-19 . . . . 16658 2 15 no REF NP_001276865 . "receptor tyrosine-protein kinase erbB-2 isoform c [Homo sapiens]" . . . . . 100.00 1240 100.00 100.00 3.69e-19 . . . . 16658 2 16 no REF NP_001276866 . "receptor tyrosine-protein kinase erbB-2 isoform d precursor [Homo sapiens]" . . . . . 100.00 1055 100.00 100.00 5.44e-19 . . . . 16658 2 17 no REF NP_004439 . "receptor tyrosine-protein kinase erbB-2 isoform a precursor [Homo sapiens]" . . . . . 100.00 1255 100.00 100.00 4.38e-19 . . . . 16658 2 18 no REF XP_001090319 . "PREDICTED: receptor tyrosine-protein kinase erbB-2 isoform 1 [Macaca mulatta]" . . . . . 100.00 1225 100.00 100.00 4.46e-19 . . . . 16658 2 19 no SP P04626 . "RecName: Full=Receptor tyrosine-protein kinase erbB-2; AltName: Full=Metastatic lymph node gene 19 protein; Short=MLN 19; AltNa" . . . . . 100.00 1255 100.00 100.00 4.38e-19 . . . . 16658 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transmembrane segment of receptor tyrosine kinase ErbB2' 16658 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 41 GLY . 16658 2 2 42 CYS . 16658 2 3 43 PRO . 16658 2 4 44 ALA . 16658 2 5 45 GLU . 16658 2 6 46 GLN . 16658 2 7 47 ARG . 16658 2 8 48 ALA . 16658 2 9 49 SER . 16658 2 10 50 PRO . 16658 2 11 51 LEU . 16658 2 12 52 THR . 16658 2 13 53 SER . 16658 2 14 54 ILE . 16658 2 15 55 ILE . 16658 2 16 56 SER . 16658 2 17 57 ALA . 16658 2 18 58 VAL . 16658 2 19 59 VAL . 16658 2 20 60 GLY . 16658 2 21 61 ILE . 16658 2 22 62 LEU . 16658 2 23 63 LEU . 16658 2 24 64 VAL . 16658 2 25 65 VAL . 16658 2 26 66 VAL . 16658 2 27 67 LEU . 16658 2 28 68 GLY . 16658 2 29 69 VAL . 16658 2 30 70 VAL . 16658 2 31 71 PHE . 16658 2 32 72 GLY . 16658 2 33 73 ILE . 16658 2 34 74 LEU . 16658 2 35 75 ILE . 16658 2 36 76 LYS . 16658 2 37 77 ARG . 16658 2 38 78 ARG . 16658 2 39 79 GLN . 16658 2 40 80 GLN . 16658 2 41 81 LYS . 16658 2 42 82 ILE . 16658 2 43 83 ARG . 16658 2 44 84 LYS . 16658 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16658 2 . CYS 2 2 16658 2 . PRO 3 3 16658 2 . ALA 4 4 16658 2 . GLU 5 5 16658 2 . GLN 6 6 16658 2 . ARG 7 7 16658 2 . ALA 8 8 16658 2 . SER 9 9 16658 2 . PRO 10 10 16658 2 . LEU 11 11 16658 2 . THR 12 12 16658 2 . SER 13 13 16658 2 . ILE 14 14 16658 2 . ILE 15 15 16658 2 . SER 16 16 16658 2 . ALA 17 17 16658 2 . VAL 18 18 16658 2 . VAL 19 19 16658 2 . GLY 20 20 16658 2 . ILE 21 21 16658 2 . LEU 22 22 16658 2 . LEU 23 23 16658 2 . VAL 24 24 16658 2 . VAL 25 25 16658 2 . VAL 26 26 16658 2 . LEU 27 27 16658 2 . GLY 28 28 16658 2 . VAL 29 29 16658 2 . VAL 30 30 16658 2 . PHE 31 31 16658 2 . GLY 32 32 16658 2 . ILE 33 33 16658 2 . LEU 34 34 16658 2 . ILE 35 35 16658 2 . LYS 36 36 16658 2 . ARG 37 37 16658 2 . ARG 38 38 16658 2 . GLN 39 39 16658 2 . GLN 40 40 16658 2 . LYS 41 41 16658 2 . ILE 42 42 16658 2 . ARG 43 43 16658 2 . LYS 44 44 16658 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16658 _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 $ErbB1TM . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16658 1 2 2 $ErbB2TM . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16658 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 16658 _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 $ErbB1TM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . n/a . . . . . . 16658 1 2 2 $ErbB2TM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . n/a . . . . . . 16658 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16658 _Sample.ID 1 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details 'N15 labeled protein in bicelles' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ErbB1TM '[U-100% 15N]' . . 1 $ErbB1TM . . 1 . . mM . . . . 16658 1 2 ErbB2TM '[U-100% 15N]' . . 2 $ErbB2TM . . 1 . . mM . . . . 16658 1 3 DMPC 'natural abundance' . . . . . . 12 . . mM . . . . 16658 1 4 DHPC 'natural abundance' . . . . . . 48 . . mM . . . . 16658 1 5 EDTA 'natural abundance' . . . . . . 3 . . mM . . . . 16658 1 6 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 16658 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16658 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16658 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16658 _Sample.ID 2 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details 'mixture of labeled ErbB1 and unlabeled ErbB2 protein in bicelles' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ErbB1TM '[U-100% 13C; U-100% 15N]' . . 1 $ErbB1TM . . 1 . . mM . . . . 16658 2 2 ErbB2TM 'natural abundance' . . 2 $ErbB2TM . . 1 . . mM . . . . 16658 2 3 DMPC [U-2H] . . . . . . 12 . . mM . . . . 16658 2 4 DHPC [U-2H] . . . . . . 48 . . mM . . . . 16658 2 5 EDTA 'natural abundance' . . . . . . 3 . . mM . . . . 16658 2 6 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 16658 2 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16658 2 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16658 _Sample.ID 3 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details 'mixture of labeled ErbB2 and unlabeled ErbB1 protein in bicelles in water' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ErbB1TM 'natural abundance' . . 1 $ErbB1TM . . 1 . . mM . . . . 16658 3 2 ErbB2TM '[U-100% 13C; U-100% 15N]' . . 2 $ErbB2TM . . 1 . . mM . . . . 16658 3 3 DMPC [U-2H] . . . . . . 12 . . mM . . . . 16658 3 4 DHPC [U-2H] . . . . . . 48 . . mM . . . . 16658 3 5 EDTA 'natural abundance' . . . . . . 3 . . mM . . . . 16658 3 6 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 16658 3 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16658 3 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16658 3 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 16658 _Sample.ID 4 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details 'mixture of labeled ErbB1 and unlabeled ErbB2 protein in bicelles in water' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ErbB1TM '[U-100% 13C; U-100% 15N]' . . 1 $ErbB1TM . . 1 . . mM . . . . 16658 4 2 ErbB2TM 'natural abundance' . . 2 $ErbB2TM . . 1 . . mM . . . . 16658 4 3 DMPC [U-2H] . . . . . . 12 . . mM . . . . 16658 4 4 DHPC [U-2H] . . . . . . 48 . . mM . . . . 16658 4 5 EDTA 'natural abundance' . . . . . . 3 . . mM . . . . 16658 4 6 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 16658 4 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16658 4 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16658 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16658 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 16658 1 pH 4.5 . pH 16658 1 pressure 1 . atm 16658 1 temperature 313 . K 16658 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16658 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16658 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16658 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16658 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16658 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16658 2 'data analysis' 16658 2 'peak picking' 16658 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16658 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16658 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16658 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16658 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16658 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16658 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 16658 1 2 spectrometer_2 Bruker Avance . 600 . . . 16658 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16658 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16658 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16658 1 3 '3D HNCA' no . . . . . . . . . . 3 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16658 1 4 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16658 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16658 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 3 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16658 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16658 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16658 1 9 '3d-13Cfilt NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16658 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16658 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16658 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16658 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16658 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16658 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16658 1 2 '2D 1H-13C HSQC' . . . 16658 1 3 '3D HNCA' . . . 16658 1 4 '3D HN(CO)CA' . . . 16658 1 5 '3D 1H-15N NOESY' . . . 16658 1 6 '3D 1H-15N TOCSY' . . . 16658 1 7 '3D HCCH-TOCSY' . . . 16658 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '13C isotope effect' 'all 1H' . . . 16658 1 '15N isotope effect' 'amide protons' . . . 16658 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 16658 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 . 2 2 1 1 GLY HA2 H 1 3.944 0.01 . 2 . . . . 41 GLY HA2 . 16658 1 2 . 2 2 1 1 GLY HA3 H 1 3.944 0.01 . 2 . . . . 41 GLY HA3 . 16658 1 3 . 2 2 1 1 GLY CA C 13 41.195 0.2 . 1 . . . . 41 GLY CA . 16658 1 4 . 2 2 2 2 CYS HA H 1 4.951 0.01 . 1 . . . . 42 CYS HA . 16658 1 5 . 2 2 2 2 CYS HB2 H 1 3.171 0.01 . 2 . . . . 42 CYS HB2 . 16658 1 6 . 2 2 2 2 CYS HB3 H 1 3.171 0.01 . 2 . . . . 42 CYS HB3 . 16658 1 7 . 2 2 2 2 CYS CA C 13 55.132 0.2 . 1 . . . . 42 CYS CA . 16658 1 8 . 2 2 2 2 CYS CB C 13 27.098 0.2 . 1 . . . . 42 CYS CB . 16658 1 9 . 2 2 3 3 PRO HA H 1 4.549 0.01 . 1 . . . . 43 PRO HA . 16658 1 10 . 2 2 3 3 PRO HB2 H 1 2.434 0.01 . 2 . . . . 43 PRO HB2 . 16658 1 11 . 2 2 3 3 PRO HB3 H 1 2.058 0.01 . 2 . . . . 43 PRO HB3 . 16658 1 12 . 2 2 3 3 PRO HD3 H 1 3.977 0.01 . 2 . . . . 43 PRO HD3 . 16658 1 13 . 2 2 3 3 PRO HG2 H 1 2.135 0.01 . 2 . . . . 43 PRO HG2 . 16658 1 14 . 2 2 3 3 PRO HG3 H 1 2.135 0.01 . 2 . . . . 43 PRO HG3 . 16658 1 15 . 2 2 3 3 PRO CA C 13 62.288 0.2 . 1 . . . . 43 PRO CA . 16658 1 16 . 2 2 3 3 PRO CB C 13 29.880 0.2 . 1 . . . . 43 PRO CB . 16658 1 17 . 2 2 3 3 PRO CD C 13 49.012 0.2 . 1 . . . . 43 PRO CD . 16658 1 18 . 2 2 3 3 PRO CG C 13 25.295 0.2 . 1 . . . . 43 PRO CG . 16658 1 19 . 2 2 4 4 ALA H H 1 8.415 0.01 . 1 . . . . 44 ALA H . 16658 1 20 . 2 2 4 4 ALA HA H 1 4.385 0.01 . 1 . . . . 44 ALA HA . 16658 1 21 . 2 2 4 4 ALA HB1 H 1 1.495 0.01 . 1 . . . . 44 ALA QB . 16658 1 22 . 2 2 4 4 ALA HB2 H 1 1.495 0.01 . 1 . . . . 44 ALA QB . 16658 1 23 . 2 2 4 4 ALA HB3 H 1 1.495 0.01 . 1 . . . . 44 ALA QB . 16658 1 24 . 2 2 4 4 ALA CA C 13 50.856 0.2 . 1 . . . . 44 ALA CA . 16658 1 25 . 2 2 4 4 ALA CB C 13 16.991 0.2 . 1 . . . . 44 ALA CB . 16658 1 26 . 2 2 4 4 ALA N N 15 123.736 0.1 . 1 . . . . 44 ALA N . 16658 1 27 . 2 2 5 5 GLU H H 1 8.375 0.01 . 1 . . . . 45 GLU H . 16658 1 28 . 2 2 5 5 GLU HA H 1 4.359 0.01 . 1 . . . . 45 GLU HA . 16658 1 29 . 2 2 5 5 GLU HB2 H 1 2.150 0.01 . 2 . . . . 45 GLU HB2 . 16658 1 30 . 2 2 5 5 GLU HB3 H 1 2.062 0.01 . 2 . . . . 45 GLU HB3 . 16658 1 31 . 2 2 5 5 GLU HG2 H 1 2.380 0.01 . 2 . . . . 45 GLU HG2 . 16658 1 32 . 2 2 5 5 GLU HG3 H 1 2.380 0.01 . 2 . . . . 45 GLU HG3 . 16658 1 33 . 2 2 5 5 GLU CA C 13 54.562 0.2 . 1 . . . . 45 GLU CA . 16658 1 34 . 2 2 5 5 GLU CB C 13 27.229 0.2 . 1 . . . . 45 GLU CB . 16658 1 35 . 2 2 5 5 GLU CG C 13 31.812 0.2 . 1 . . . . 45 GLU CG . 16658 1 36 . 2 2 5 5 GLU N N 15 119.544 0.1 . 1 . . . . 45 GLU N . 16658 1 37 . 2 2 6 6 GLN H H 1 8.423 0.01 . 1 . . . . 46 GLN H . 16658 1 38 . 2 2 6 6 GLN HA H 1 4.472 0.01 . 1 . . . . 46 GLN HA . 16658 1 39 . 2 2 6 6 GLN HB2 H 1 2.464 0.01 . 2 . . . . 46 GLN HB2 . 16658 1 40 . 2 2 6 6 GLN HB3 H 1 2.464 0.01 . 2 . . . . 46 GLN HB3 . 16658 1 41 . 2 2 6 6 GLN HG2 H 1 2.214 0.01 . 2 . . . . 46 GLN HG2 . 16658 1 42 . 2 2 6 6 GLN HG3 H 1 2.074 0.01 . 2 . . . . 46 GLN HG3 . 16658 1 43 . 2 2 6 6 GLN CA C 13 53.791 0.2 . 1 . . . . 46 GLN CA . 16658 1 44 . 2 2 6 6 GLN CB C 13 31.681 0.2 . 1 . . . . 46 GLN CB . 16658 1 45 . 2 2 6 6 GLN CG C 13 27.255 0.2 . 1 . . . . 46 GLN CG . 16658 1 46 . 2 2 6 6 GLN N N 15 121.596 0.1 . 1 . . . . 46 GLN N . 16658 1 47 . 2 2 7 7 ARG H H 1 8.368 0.01 . 1 . . . . 47 ARG H . 16658 1 48 . 2 2 7 7 ARG HA H 1 4.457 0.01 . 1 . . . . 47 ARG HA . 16658 1 49 . 2 2 7 7 ARG HB2 H 1 1.875 0.01 . 2 . . . . 47 ARG HB2 . 16658 1 50 . 2 2 7 7 ARG HB3 H 1 1.875 0.01 . 2 . . . . 47 ARG HB3 . 16658 1 51 . 2 2 7 7 ARG HD2 H 1 3.284 0.01 . 2 . . . . 47 ARG HD2 . 16658 1 52 . 2 2 7 7 ARG HD3 H 1 3.284 0.01 . 2 . . . . 47 ARG HD3 . 16658 1 53 . 2 2 7 7 ARG HG2 H 1 1.773 0.01 . 2 . . . . 47 ARG HG2 . 16658 1 54 . 2 2 7 7 ARG HG3 H 1 1.773 0.01 . 2 . . . . 47 ARG HG3 . 16658 1 55 . 2 2 7 7 ARG CA C 13 53.827 0.2 . 1 . . . . 47 ARG CA . 16658 1 56 . 2 2 7 7 ARG CB C 13 28.867 0.2 . 1 . . . . 47 ARG CB . 16658 1 57 . 2 2 7 7 ARG CD C 13 41.433 0.2 . 1 . . . . 47 ARG CD . 16658 1 58 . 2 2 7 7 ARG CG C 13 24.817 0.2 . 1 . . . . 47 ARG CG . 16658 1 59 . 2 2 7 7 ARG N N 15 122.269 0.1 . 1 . . . . 47 ARG N . 16658 1 60 . 2 2 8 8 ALA H H 1 8.393 0.01 . 1 . . . . 48 ALA H . 16658 1 61 . 2 2 8 8 ALA HA H 1 4.494 0.01 . 1 . . . . 48 ALA HA . 16658 1 62 . 2 2 8 8 ALA HB1 H 1 1.481 0.01 . 1 . . . . 48 ALA QB . 16658 1 63 . 2 2 8 8 ALA HB2 H 1 1.481 0.01 . 1 . . . . 48 ALA QB . 16658 1 64 . 2 2 8 8 ALA HB3 H 1 1.481 0.01 . 1 . . . . 48 ALA QB . 16658 1 65 . 2 2 8 8 ALA CA C 13 49.903 0.2 . 1 . . . . 48 ALA CA . 16658 1 66 . 2 2 8 8 ALA CB C 13 17.324 0.2 . 1 . . . . 48 ALA CB . 16658 1 67 . 2 2 8 8 ALA N N 15 124.844 0.1 . 1 . . . . 48 ALA N . 16658 1 68 . 2 2 9 9 SER H H 1 8.622 0.01 . 1 . . . . 49 SER H . 16658 1 69 . 2 2 9 9 SER HA H 1 4.933 0.01 . 1 . . . . 49 SER HA . 16658 1 70 . 2 2 9 9 SER HB2 H 1 4.054 0.01 . 1 . . . . 49 SER HB2 . 16658 1 71 . 2 2 9 9 SER HB3 H 1 4.207 0.01 . 1 . . . . 49 SER HB3 . 16658 1 72 . 2 2 9 9 SER CA C 13 54.025 0.2 . 1 . . . . 49 SER CA . 16658 1 73 . 2 2 9 9 SER CB C 13 61.504 0.2 . 1 . . . . 49 SER CB . 16658 1 74 . 2 2 9 9 SER N N 15 116.582 0.1 . 1 . . . . 49 SER N . 16658 1 75 . 2 2 10 10 PRO HA H 1 4.599 0.01 . 1 . . . . 50 PRO HA . 16658 1 76 . 2 2 10 10 PRO HB2 H 1 2.480 0.01 . 2 . . . . 50 PRO HB2 . 16658 1 77 . 2 2 10 10 PRO HB3 H 1 2.068 0.01 . 2 . . . . 50 PRO HB3 . 16658 1 78 . 2 2 10 10 PRO HD2 H 1 4.034 0.01 . 2 . . . . 50 PRO HD2 . 16658 1 79 . 2 2 10 10 PRO HG2 H 1 2.204 0.01 . 2 . . . . 50 PRO HG2 . 16658 1 80 . 2 2 10 10 PRO HG3 H 1 2.204 0.01 . 2 . . . . 50 PRO HG3 . 16658 1 81 . 2 2 10 10 PRO CA C 13 62.538 0.2 . 1 . . . . 50 PRO CA . 16658 1 82 . 2 2 10 10 PRO CB C 13 29.893 0.2 . 1 . . . . 50 PRO CB . 16658 1 83 . 2 2 10 10 PRO CD C 13 48.743 0.2 . 1 . . . . 50 PRO CD . 16658 1 84 . 2 2 10 10 PRO CG C 13 25.332 0.2 . 1 . . . . 50 PRO CG . 16658 1 85 . 2 2 11 11 LEU H H 1 8.345 0.01 . 1 . . . . 51 LEU H . 16658 1 86 . 2 2 11 11 LEU HA H 1 4.230 0.01 . 1 . . . . 51 LEU HA . 16658 1 87 . 2 2 11 11 LEU HB2 H 1 1.825 0.01 . 2 . . . . 51 LEU HB2 . 16658 1 88 . 2 2 11 11 LEU HB3 H 1 1.786 0.01 . 2 . . . . 51 LEU HB3 . 16658 1 89 . 2 2 11 11 LEU HD11 H 1 1.012 0.01 . 2 . . . . 51 LEU QD1 . 16658 1 90 . 2 2 11 11 LEU HD12 H 1 1.012 0.01 . 2 . . . . 51 LEU QD1 . 16658 1 91 . 2 2 11 11 LEU HD13 H 1 1.012 0.01 . 2 . . . . 51 LEU QD1 . 16658 1 92 . 2 2 11 11 LEU HG H 1 1.784 0.01 . 1 . . . . 51 LEU HG . 16658 1 93 . 2 2 11 11 LEU CA C 13 55.574 0.2 . 1 . . . . 51 LEU CA . 16658 1 94 . 2 2 11 11 LEU CB C 13 39.680 0.2 . 1 . . . . 51 LEU CB . 16658 1 95 . 2 2 11 11 LEU CD1 C 13 22.438 0.2 . 1 . . . . 51 LEU CD1 . 16658 1 96 . 2 2 11 11 LEU CG C 13 25.265 0.2 . 1 . . . . 51 LEU CG . 16658 1 97 . 2 2 11 11 LEU N N 15 117.834 0.1 . 1 . . . . 51 LEU N . 16658 1 98 . 2 2 12 12 THR H H 1 7.982 0.01 . 1 . . . . 52 THR H . 16658 1 99 . 2 2 12 12 THR HA H 1 3.963 0.01 . 1 . . . . 52 THR HA . 16658 1 100 . 2 2 12 12 THR HB H 1 4.392 0.01 . 1 . . . . 52 THR HB . 16658 1 101 . 2 2 12 12 THR HG21 H 1 1.369 0.01 . 1 . . . . 52 THR QG2 . 16658 1 102 . 2 2 12 12 THR HG22 H 1 1.369 0.01 . 1 . . . . 52 THR QG2 . 16658 1 103 . 2 2 12 12 THR HG23 H 1 1.369 0.01 . 1 . . . . 52 THR QG2 . 16658 1 104 . 2 2 12 12 THR CA C 13 64.062 0.2 . 1 . . . . 52 THR CA . 16658 1 105 . 2 2 12 12 THR CB C 13 66.030 0.2 . 1 . . . . 52 THR CB . 16658 1 106 . 2 2 12 12 THR CG2 C 13 20.283 0.2 . 1 . . . . 52 THR CG2 . 16658 1 107 . 2 2 12 12 THR N N 15 113.331 0.1 . 1 . . . . 52 THR N . 16658 1 108 . 2 2 13 13 SER H H 1 8.199 0.01 . 1 . . . . 53 SER H . 16658 1 109 . 2 2 13 13 SER HA H 1 4.407 0.01 . 1 . . . . 53 SER HA . 16658 1 110 . 2 2 13 13 SER HB2 H 1 4.120 0.01 . 2 . . . . 53 SER HB2 . 16658 1 111 . 2 2 13 13 SER HB3 H 1 4.001 0.01 . 2 . . . . 53 SER HB3 . 16658 1 112 . 2 2 13 13 SER CA C 13 59.932 0.2 . 1 . . . . 53 SER CA . 16658 1 113 . 2 2 13 13 SER CB C 13 60.511 0.2 . 1 . . . . 53 SER CB . 16658 1 114 . 2 2 13 13 SER N N 15 118.750 0.1 . 1 . . . . 53 SER N . 16658 1 115 . 2 2 14 14 ILE H H 1 8.054 0.01 . 1 . . . . 54 ILE H . 16658 1 116 . 2 2 14 14 ILE HA H 1 3.899 0.01 . 1 . . . . 54 ILE HA . 16658 1 117 . 2 2 14 14 ILE HB H 1 2.097 0.01 . 1 . . . . 54 ILE HB . 16658 1 118 . 2 2 14 14 ILE HD11 H 1 0.955 0.01 . 1 . . . . 54 ILE QD1 . 16658 1 119 . 2 2 14 14 ILE HD12 H 1 0.955 0.01 . 1 . . . . 54 ILE QD1 . 16658 1 120 . 2 2 14 14 ILE HD13 H 1 0.955 0.01 . 1 . . . . 54 ILE QD1 . 16658 1 121 . 2 2 14 14 ILE HG12 H 1 1.855 0.01 . 2 . . . . 54 ILE HG12 . 16658 1 122 . 2 2 14 14 ILE HG13 H 1 1.212 0.01 . 2 . . . . 54 ILE HG13 . 16658 1 123 . 2 2 14 14 ILE HG21 H 1 0.986 0.01 . 1 . . . . 54 ILE QG2 . 16658 1 124 . 2 2 14 14 ILE HG22 H 1 0.986 0.01 . 1 . . . . 54 ILE QG2 . 16658 1 125 . 2 2 14 14 ILE HG23 H 1 0.986 0.01 . 1 . . . . 54 ILE QG2 . 16658 1 126 . 2 2 14 14 ILE CA C 13 62.543 0.2 . 1 . . . . 54 ILE CA . 16658 1 127 . 2 2 14 14 ILE CB C 13 35.909 0.2 . 1 . . . . 54 ILE CB . 16658 1 128 . 2 2 14 14 ILE CD1 C 13 11.264 0.2 . 1 . . . . 54 ILE CD1 . 16658 1 129 . 2 2 14 14 ILE CG1 C 13 26.955 0.2 . 1 . . . . 54 ILE CG1 . 16658 1 130 . 2 2 14 14 ILE CG2 C 13 15.337 0.2 . 1 . . . . 54 ILE CG2 . 16658 1 131 . 2 2 14 14 ILE N N 15 121.177 0.1 . 1 . . . . 54 ILE N . 16658 1 132 . 2 2 15 15 ILE H H 1 8.428 0.01 . 1 . . . . 55 ILE H . 16658 1 133 . 2 2 15 15 ILE HA H 1 3.705 0.01 . 1 . . . . 55 ILE HA . 16658 1 134 . 2 2 15 15 ILE HB H 1 2.106 0.01 . 1 . . . . 55 ILE HB . 16658 1 135 . 2 2 15 15 ILE HD11 H 1 0.924 0.01 . 1 . . . . 55 ILE QD1 . 16658 1 136 . 2 2 15 15 ILE HD12 H 1 0.924 0.01 . 1 . . . . 55 ILE QD1 . 16658 1 137 . 2 2 15 15 ILE HD13 H 1 0.924 0.01 . 1 . . . . 55 ILE QD1 . 16658 1 138 . 2 2 15 15 ILE HG12 H 1 1.258 0.01 . 1 . . . . 55 ILE HG12 . 16658 1 139 . 2 2 15 15 ILE HG13 H 1 1.863 0.01 . 1 . . . . 55 ILE HG13 . 16658 1 140 . 2 2 15 15 ILE HG21 H 1 0.994 0.01 . 1 . . . . 55 ILE QG2 . 16658 1 141 . 2 2 15 15 ILE HG22 H 1 0.994 0.01 . 1 . . . . 55 ILE QG2 . 16658 1 142 . 2 2 15 15 ILE HG23 H 1 0.994 0.01 . 1 . . . . 55 ILE QG2 . 16658 1 143 . 2 2 15 15 ILE CA C 13 63.070 0.2 . 1 . . . . 55 ILE CA . 16658 1 144 . 2 2 15 15 ILE CB C 13 35.065 0.2 . 1 . . . . 55 ILE CB . 16658 1 145 . 2 2 15 15 ILE CD1 C 13 10.564 0.2 . 1 . . . . 55 ILE CD1 . 16658 1 146 . 2 2 15 15 ILE CG1 C 13 27.145 0.2 . 1 . . . . 55 ILE CG1 . 16658 1 147 . 2 2 15 15 ILE CG2 C 13 15.390 0.2 . 1 . . . . 55 ILE CG2 . 16658 1 148 . 2 2 15 15 ILE N N 15 118.882 0.1 . 1 . . . . 55 ILE N . 16658 1 149 . 2 2 16 16 SER H H 1 8.280 0.01 . 1 . . . . 56 SER H . 16658 1 150 . 2 2 16 16 SER HA H 1 4.129 0.01 . 1 . . . . 56 SER HA . 16658 1 151 . 2 2 16 16 SER HB2 H 1 3.892 0.01 . 2 . . . . 56 SER HB2 . 16658 1 152 . 2 2 16 16 SER HB3 H 1 3.892 0.01 . 2 . . . . 56 SER HB3 . 16658 1 153 . 2 2 16 16 SER CA C 13 60.791 0.2 . 1 . . . . 56 SER CA . 16658 1 154 . 2 2 16 16 SER CB C 13 60.677 0.2 . 1 . . . . 56 SER CB . 16658 1 155 . 2 2 16 16 SER N N 15 114.850 0.1 . 1 . . . . 56 SER N . 16658 1 156 . 2 2 17 17 ALA H H 1 7.920 0.01 . 1 . . . . 57 ALA H . 16658 1 157 . 2 2 17 17 ALA HA H 1 4.158 0.01 . 1 . . . . 57 ALA HA . 16658 1 158 . 2 2 17 17 ALA HB1 H 1 1.598 0.01 . 1 . . . . 57 ALA QB . 16658 1 159 . 2 2 17 17 ALA HB2 H 1 1.598 0.01 . 1 . . . . 57 ALA QB . 16658 1 160 . 2 2 17 17 ALA HB3 H 1 1.598 0.01 . 1 . . . . 57 ALA QB . 16658 1 161 . 2 2 17 17 ALA CA C 13 53.157 0.2 . 1 . . . . 57 ALA CA . 16658 1 162 . 2 2 17 17 ALA CB C 13 16.154 0.2 . 1 . . . . 57 ALA CB . 16658 1 163 . 2 2 17 17 ALA N N 15 122.502 0.1 . 1 . . . . 57 ALA N . 16658 1 164 . 2 2 18 18 VAL H H 1 8.315 0.01 . 1 . . . . 58 VAL H . 16658 1 165 . 2 2 18 18 VAL HA H 1 3.609 0.01 . 1 . . . . 58 VAL HA . 16658 1 166 . 2 2 18 18 VAL HB H 1 2.365 0.01 . 1 . . . . 58 VAL HB . 16658 1 167 . 2 2 18 18 VAL HG11 H 1 0.984 0.01 . 1 . . . . 58 VAL QG1 . 16658 1 168 . 2 2 18 18 VAL HG12 H 1 0.984 0.01 . 1 . . . . 58 VAL QG1 . 16658 1 169 . 2 2 18 18 VAL HG13 H 1 0.984 0.01 . 1 . . . . 58 VAL QG1 . 16658 1 170 . 2 2 18 18 VAL HG21 H 1 1.160 0.01 . 1 . . . . 58 VAL QG2 . 16658 1 171 . 2 2 18 18 VAL HG22 H 1 1.160 0.01 . 1 . . . . 58 VAL QG2 . 16658 1 172 . 2 2 18 18 VAL HG23 H 1 1.160 0.01 . 1 . . . . 58 VAL QG2 . 16658 1 173 . 2 2 18 18 VAL CA C 13 65.164 0.2 . 1 . . . . 58 VAL CA . 16658 1 174 . 2 2 18 18 VAL CB C 13 29.190 0.2 . 1 . . . . 58 VAL CB . 16658 1 175 . 2 2 18 18 VAL CG1 C 13 19.235 0.2 . 1 . . . . 58 VAL CG1 . 16658 1 176 . 2 2 18 18 VAL CG2 C 13 21.144 0.2 . 1 . . . . 58 VAL CG2 . 16658 1 177 . 2 2 18 18 VAL N N 15 116.511 0.1 . 1 . . . . 58 VAL N . 16658 1 178 . 2 2 19 19 VAL H H 1 8.595 0.01 . 1 . . . . 59 VAL H . 16658 1 179 . 2 2 19 19 VAL HA H 1 3.582 0.01 . 1 . . . . 59 VAL HA . 16658 1 180 . 2 2 19 19 VAL HB H 1 2.300 0.01 . 1 . . . . 59 VAL HB . 16658 1 181 . 2 2 19 19 VAL HG11 H 1 0.999 0.01 . 1 . . . . 59 VAL QG1 . 16658 1 182 . 2 2 19 19 VAL HG12 H 1 0.999 0.01 . 1 . . . . 59 VAL QG1 . 16658 1 183 . 2 2 19 19 VAL HG13 H 1 0.999 0.01 . 1 . . . . 59 VAL QG1 . 16658 1 184 . 2 2 19 19 VAL HG21 H 1 1.142 0.01 . 1 . . . . 59 VAL QG2 . 16658 1 185 . 2 2 19 19 VAL HG22 H 1 1.142 0.01 . 1 . . . . 59 VAL QG2 . 16658 1 186 . 2 2 19 19 VAL HG23 H 1 1.142 0.01 . 1 . . . . 59 VAL QG2 . 16658 1 187 . 2 2 19 19 VAL CA C 13 65.381 0.2 . 1 . . . . 59 VAL CA . 16658 1 188 . 2 2 19 19 VAL CB C 13 28.953 0.2 . 1 . . . . 59 VAL CB . 16658 1 189 . 2 2 19 19 VAL CG1 C 13 19.473 0.2 . 1 . . . . 59 VAL CG1 . 16658 1 190 . 2 2 19 19 VAL CG2 C 13 21.272 0.2 . 1 . . . . 59 VAL CG2 . 16658 1 191 . 2 2 19 19 VAL N N 15 118.279 0.1 . 1 . . . . 59 VAL N . 16658 1 192 . 2 2 20 20 GLY H H 1 8.534 0.01 . 1 . . . . 60 GLY H . 16658 1 193 . 2 2 20 20 GLY HA2 H 1 3.735 0.01 . 2 . . . . 60 GLY HA2 . 16658 1 194 . 2 2 20 20 GLY HA3 H 1 3.735 0.01 . 2 . . . . 60 GLY HA3 . 16658 1 195 . 2 2 20 20 GLY CA C 13 45.716 0.2 . 1 . . . . 60 GLY CA . 16658 1 196 . 2 2 20 20 GLY N N 15 106.229 0.1 . 1 . . . . 60 GLY N . 16658 1 197 . 2 2 21 21 ILE H H 1 8.443 0.01 . 1 . . . . 61 ILE H . 16658 1 198 . 2 2 21 21 ILE HA H 1 3.723 0.01 . 1 . . . . 61 ILE HA . 16658 1 199 . 2 2 21 21 ILE HB H 1 2.091 0.01 . 1 . . . . 61 ILE HB . 16658 1 200 . 2 2 21 21 ILE HD11 H 1 0.888 0.01 . 1 . . . . 61 ILE QD1 . 16658 1 201 . 2 2 21 21 ILE HD12 H 1 0.888 0.01 . 1 . . . . 61 ILE QD1 . 16658 1 202 . 2 2 21 21 ILE HD13 H 1 0.888 0.01 . 1 . . . . 61 ILE QD1 . 16658 1 203 . 2 2 21 21 ILE HG12 H 1 1.990 0.01 . 2 . . . . 61 ILE HG12 . 16658 1 204 . 2 2 21 21 ILE HG13 H 1 1.116 0.01 . 2 . . . . 61 ILE HG13 . 16658 1 205 . 2 2 21 21 ILE HG21 H 1 0.938 0.01 . 1 . . . . 61 ILE QG2 . 16658 1 206 . 2 2 21 21 ILE HG22 H 1 0.938 0.01 . 1 . . . . 61 ILE QG2 . 16658 1 207 . 2 2 21 21 ILE HG23 H 1 0.938 0.01 . 1 . . . . 61 ILE QG2 . 16658 1 208 . 2 2 21 21 ILE CA C 13 63.173 0.2 . 1 . . . . 61 ILE CA . 16658 1 209 . 2 2 21 21 ILE CB C 13 35.541 0.2 . 1 . . . . 61 ILE CB . 16658 1 210 . 2 2 21 21 ILE CD1 C 13 11.072 0.2 . 1 . . . . 61 ILE CD1 . 16658 1 211 . 2 2 21 21 ILE CG1 C 13 27.418 0.2 . 1 . . . . 61 ILE CG1 . 16658 1 212 . 2 2 21 21 ILE CG2 C 13 15.269 0.2 . 1 . . . . 61 ILE CG2 . 16658 1 213 . 2 2 21 21 ILE N N 15 119.941 0.1 . 1 . . . . 61 ILE N . 16658 1 214 . 2 2 22 22 LEU H H 1 8.373 0.01 . 1 . . . . 62 LEU H . 16658 1 215 . 2 2 22 22 LEU HA H 1 4.015 0.01 . 1 . . . . 62 LEU HA . 16658 1 216 . 2 2 22 22 LEU HB2 H 1 2.013 0.01 . 1 . . . . 62 LEU HB2 . 16658 1 217 . 2 2 22 22 LEU HB3 H 1 1.631 0.01 . 1 . . . . 62 LEU HB3 . 16658 1 218 . 2 2 22 22 LEU HD11 H 1 0.887 0.01 . 2 . . . . 62 LEU QD1 . 16658 1 219 . 2 2 22 22 LEU HD12 H 1 0.887 0.01 . 2 . . . . 62 LEU QD1 . 16658 1 220 . 2 2 22 22 LEU HD13 H 1 0.887 0.01 . 2 . . . . 62 LEU QD1 . 16658 1 221 . 2 2 22 22 LEU HD21 H 1 0.906 0.01 . 2 . . . . 62 LEU QD2 . 16658 1 222 . 2 2 22 22 LEU HD22 H 1 0.906 0.01 . 2 . . . . 62 LEU QD2 . 16658 1 223 . 2 2 22 22 LEU HD23 H 1 0.906 0.01 . 2 . . . . 62 LEU QD2 . 16658 1 224 . 2 2 22 22 LEU HG H 1 1.921 0.01 . 1 . . . . 62 LEU HG . 16658 1 225 . 2 2 22 22 LEU CA C 13 56.250 0.2 . 1 . . . . 62 LEU CA . 16658 1 226 . 2 2 22 22 LEU CB C 13 39.420 0.2 . 1 . . . . 62 LEU CB . 16658 1 227 . 2 2 22 22 LEU CD1 C 13 21.316 0.2 . 1 . . . . 62 LEU CD1 . 16658 1 228 . 2 2 22 22 LEU CD2 C 13 23.141 0.2 . 1 . . . . 62 LEU CD2 . 16658 1 229 . 2 2 22 22 LEU CG C 13 24.712 0.2 . 1 . . . . 62 LEU CG . 16658 1 230 . 2 2 22 22 LEU N N 15 118.838 0.1 . 1 . . . . 62 LEU N . 16658 1 231 . 2 2 23 23 LEU H H 1 8.578 0.01 . 1 . . . . 63 LEU H . 16658 1 232 . 2 2 23 23 LEU HA H 1 4.030 0.01 . 1 . . . . 63 LEU HA . 16658 1 233 . 2 2 23 23 LEU HB2 H 1 2.025 0.01 . 1 . . . . 63 LEU HB2 . 16658 1 234 . 2 2 23 23 LEU HB3 H 1 1.694 0.01 . 1 . . . . 63 LEU HB3 . 16658 1 235 . 2 2 23 23 LEU HD11 H 1 0.898 0.01 . 1 . . . . 63 LEU QD1 . 16658 1 236 . 2 2 23 23 LEU HD12 H 1 0.898 0.01 . 1 . . . . 63 LEU QD1 . 16658 1 237 . 2 2 23 23 LEU HD13 H 1 0.898 0.01 . 1 . . . . 63 LEU QD1 . 16658 1 238 . 2 2 23 23 LEU HD21 H 1 0.925 0.01 . 1 . . . . 63 LEU QD2 . 16658 1 239 . 2 2 23 23 LEU HD22 H 1 0.925 0.01 . 1 . . . . 63 LEU QD2 . 16658 1 240 . 2 2 23 23 LEU HD23 H 1 0.925 0.01 . 1 . . . . 63 LEU QD2 . 16658 1 241 . 2 2 23 23 LEU HG H 1 1.942 0.01 . 1 . . . . 63 LEU HG . 16658 1 242 . 2 2 23 23 LEU CA C 13 56.330 0.2 . 1 . . . . 63 LEU CA . 16658 1 243 . 2 2 23 23 LEU CB C 13 39.625 0.2 . 1 . . . . 63 LEU CB . 16658 1 244 . 2 2 23 23 LEU CD1 C 13 21.671 0.2 . 1 . . . . 63 LEU CD1 . 16658 1 245 . 2 2 23 23 LEU CD2 C 13 22.888 0.2 . 1 . . . . 63 LEU CD2 . 16658 1 246 . 2 2 23 23 LEU CG C 13 24.890 0.2 . 1 . . . . 63 LEU CG . 16658 1 247 . 2 2 23 23 LEU N N 15 117.762 0.1 . 1 . . . . 63 LEU N . 16658 1 248 . 2 2 24 24 VAL H H 1 8.023 0.01 . 1 . . . . 64 VAL H . 16658 1 249 . 2 2 24 24 VAL HA H 1 3.635 0.01 . 1 . . . . 64 VAL HA . 16658 1 250 . 2 2 24 24 VAL HB H 1 2.403 0.01 . 1 . . . . 64 VAL HB . 16658 1 251 . 2 2 24 24 VAL HG11 H 1 0.985 0.01 . 1 . . . . 64 VAL QG1 . 16658 1 252 . 2 2 24 24 VAL HG12 H 1 0.985 0.01 . 1 . . . . 64 VAL QG1 . 16658 1 253 . 2 2 24 24 VAL HG13 H 1 0.985 0.01 . 1 . . . . 64 VAL QG1 . 16658 1 254 . 2 2 24 24 VAL HG21 H 1 1.153 0.01 . 1 . . . . 64 VAL QG2 . 16658 1 255 . 2 2 24 24 VAL HG22 H 1 1.153 0.01 . 1 . . . . 64 VAL QG2 . 16658 1 256 . 2 2 24 24 VAL HG23 H 1 1.153 0.01 . 1 . . . . 64 VAL QG2 . 16658 1 257 . 2 2 24 24 VAL CA C 13 65.267 0.2 . 1 . . . . 64 VAL CA . 16658 1 258 . 2 2 24 24 VAL CB C 13 28.970 0.2 . 1 . . . . 64 VAL CB . 16658 1 259 . 2 2 24 24 VAL CG1 C 13 19.461 0.2 . 1 . . . . 64 VAL CG1 . 16658 1 260 . 2 2 24 24 VAL CG2 C 13 21.119 0.2 . 1 . . . . 64 VAL CG2 . 16658 1 261 . 2 2 24 24 VAL N N 15 117.849 0.1 . 1 . . . . 64 VAL N . 16658 1 262 . 2 2 25 25 VAL H H 1 8.306 0.01 . 1 . . . . 65 VAL H . 16658 1 263 . 2 2 25 25 VAL HA H 1 3.659 0.01 . 1 . . . . 65 VAL HA . 16658 1 264 . 2 2 25 25 VAL HB H 1 2.424 0.01 . 1 . . . . 65 VAL HB . 16658 1 265 . 2 2 25 25 VAL HG11 H 1 0.962 0.01 . 1 . . . . 65 VAL QG1 . 16658 1 266 . 2 2 25 25 VAL HG12 H 1 0.962 0.01 . 1 . . . . 65 VAL QG1 . 16658 1 267 . 2 2 25 25 VAL HG13 H 1 0.962 0.01 . 1 . . . . 65 VAL QG1 . 16658 1 268 . 2 2 25 25 VAL HG21 H 1 1.112 0.01 . 1 . . . . 65 VAL QG2 . 16658 1 269 . 2 2 25 25 VAL HG22 H 1 1.112 0.01 . 1 . . . . 65 VAL QG2 . 16658 1 270 . 2 2 25 25 VAL HG23 H 1 1.112 0.01 . 1 . . . . 65 VAL QG2 . 16658 1 271 . 2 2 25 25 VAL CA C 13 65.049 0.2 . 1 . . . . 65 VAL CA . 16658 1 272 . 2 2 25 25 VAL CB C 13 29.020 0.2 . 1 . . . . 65 VAL CB . 16658 1 273 . 2 2 25 25 VAL CG1 C 13 19.389 0.2 . 1 . . . . 65 VAL CG1 . 16658 1 274 . 2 2 25 25 VAL CG2 C 13 21.139 0.2 . 1 . . . . 65 VAL CG2 . 16658 1 275 . 2 2 25 25 VAL N N 15 118.689 0.1 . 1 . . . . 65 VAL N . 16658 1 276 . 2 2 26 26 VAL H H 1 8.581 0.01 . 1 . . . . 66 VAL H . 16658 1 277 . 2 2 26 26 VAL HA H 1 3.574 0.01 . 1 . . . . 66 VAL HA . 16658 1 278 . 2 2 26 26 VAL HB H 1 2.311 0.01 . 1 . . . . 66 VAL HB . 16658 1 279 . 2 2 26 26 VAL HG11 H 1 0.953 0.01 . 1 . . . . 66 VAL QG1 . 16658 1 280 . 2 2 26 26 VAL HG12 H 1 0.953 0.01 . 1 . . . . 66 VAL QG1 . 16658 1 281 . 2 2 26 26 VAL HG13 H 1 0.953 0.01 . 1 . . . . 66 VAL QG1 . 16658 1 282 . 2 2 26 26 VAL HG21 H 1 1.142 0.01 . 1 . . . . 66 VAL QG2 . 16658 1 283 . 2 2 26 26 VAL HG22 H 1 1.142 0.01 . 1 . . . . 66 VAL QG2 . 16658 1 284 . 2 2 26 26 VAL HG23 H 1 1.142 0.01 . 1 . . . . 66 VAL QG2 . 16658 1 285 . 2 2 26 26 VAL CA C 13 65.486 0.2 . 1 . . . . 66 VAL CA . 16658 1 286 . 2 2 26 26 VAL CB C 13 29.105 0.2 . 1 . . . . 66 VAL CB . 16658 1 287 . 2 2 26 26 VAL CG1 C 13 19.338 0.2 . 1 . . . . 66 VAL CG1 . 16658 1 288 . 2 2 26 26 VAL CG2 C 13 21.106 0.2 . 1 . . . . 66 VAL CG2 . 16658 1 289 . 2 2 26 26 VAL N N 15 117.889 0.1 . 1 . . . . 66 VAL N . 16658 1 290 . 2 2 27 27 LEU H H 1 8.564 0.01 . 1 . . . . 67 LEU H . 16658 1 291 . 2 2 27 27 LEU HA H 1 4.045 0.01 . 1 . . . . 67 LEU HA . 16658 1 292 . 2 2 27 27 LEU HB2 H 1 2.036 0.01 . 1 . . . . 67 LEU HB2 . 16658 1 293 . 2 2 27 27 LEU HB3 H 1 1.490 0.01 . 1 . . . . 67 LEU HB3 . 16658 1 294 . 2 2 27 27 LEU HD11 H 1 0.885 0.01 . 2 . . . . 67 LEU QD1 . 16658 1 295 . 2 2 27 27 LEU HD12 H 1 0.885 0.01 . 2 . . . . 67 LEU QD1 . 16658 1 296 . 2 2 27 27 LEU HD13 H 1 0.885 0.01 . 2 . . . . 67 LEU QD1 . 16658 1 297 . 2 2 27 27 LEU HD21 H 1 0.904 0.01 . 2 . . . . 67 LEU QD2 . 16658 1 298 . 2 2 27 27 LEU HD22 H 1 0.904 0.01 . 2 . . . . 67 LEU QD2 . 16658 1 299 . 2 2 27 27 LEU HD23 H 1 0.904 0.01 . 2 . . . . 67 LEU QD2 . 16658 1 300 . 2 2 27 27 LEU HG H 1 1.937 0.01 . 1 . . . . 67 LEU HG . 16658 1 301 . 2 2 27 27 LEU CA C 13 56.086 0.2 . 1 . . . . 67 LEU CA . 16658 1 302 . 2 2 27 27 LEU CB C 13 39.231 0.2 . 1 . . . . 67 LEU CB . 16658 1 303 . 2 2 27 27 LEU CD1 C 13 21.088 0.2 . 1 . . . . 67 LEU CD1 . 16658 1 304 . 2 2 27 27 LEU CD2 C 13 23.059 0.2 . 1 . . . . 67 LEU CD2 . 16658 1 305 . 2 2 27 27 LEU CG C 13 24.770 0.2 . 1 . . . . 67 LEU CG . 16658 1 306 . 2 2 27 27 LEU N N 15 118.099 0.1 . 1 . . . . 67 LEU N . 16658 1 307 . 2 2 28 28 GLY H H 1 8.769 0.01 . 1 . . . . 68 GLY H . 16658 1 308 . 2 2 28 28 GLY HA2 H 1 3.848 0.01 . 1 . . . . 68 GLY HA2 . 16658 1 309 . 2 2 28 28 GLY HA3 H 1 3.734 0.01 . 1 . . . . 68 GLY HA3 . 16658 1 310 . 2 2 28 28 GLY CA C 13 45.501 0.2 . 1 . . . . 68 GLY CA . 16658 1 311 . 2 2 28 28 GLY N N 15 106.679 0.1 . 1 . . . . 68 GLY N . 16658 1 312 . 2 2 29 29 VAL H H 1 8.487 0.01 . 1 . . . . 69 VAL H . 16658 1 313 . 2 2 29 29 VAL HA H 1 3.793 0.01 . 1 . . . . 69 VAL HA . 16658 1 314 . 2 2 29 29 VAL HB H 1 2.440 0.01 . 1 . . . . 69 VAL HB . 16658 1 315 . 2 2 29 29 VAL HG11 H 1 1.017 0.01 . 1 . . . . 69 VAL QG1 . 16658 1 316 . 2 2 29 29 VAL HG12 H 1 1.017 0.01 . 1 . . . . 69 VAL QG1 . 16658 1 317 . 2 2 29 29 VAL HG13 H 1 1.017 0.01 . 1 . . . . 69 VAL QG1 . 16658 1 318 . 2 2 29 29 VAL HG21 H 1 1.171 0.01 . 1 . . . . 69 VAL QG2 . 16658 1 319 . 2 2 29 29 VAL HG22 H 1 1.171 0.01 . 1 . . . . 69 VAL QG2 . 16658 1 320 . 2 2 29 29 VAL HG23 H 1 1.171 0.01 . 1 . . . . 69 VAL QG2 . 16658 1 321 . 2 2 29 29 VAL CA C 13 64.739 0.2 . 1 . . . . 69 VAL CA . 16658 1 322 . 2 2 29 29 VAL CB C 13 29.268 0.2 . 1 . . . . 69 VAL CB . 16658 1 323 . 2 2 29 29 VAL CG1 C 13 19.438 0.2 . 1 . . . . 69 VAL CG1 . 16658 1 324 . 2 2 29 29 VAL CG2 C 13 21.171 0.2 . 1 . . . . 69 VAL CG2 . 16658 1 325 . 2 2 29 29 VAL N N 15 121.063 0.1 . 1 . . . . 69 VAL N . 16658 1 326 . 2 2 30 30 VAL H H 1 8.479 0.01 . 1 . . . . 70 VAL H . 16658 1 327 . 2 2 30 30 VAL HA H 1 3.603 0.01 . 1 . . . . 70 VAL HA . 16658 1 328 . 2 2 30 30 VAL HB H 1 2.311 0.01 . 1 . . . . 70 VAL HB . 16658 1 329 . 2 2 30 30 VAL HG11 H 1 0.896 0.01 . 1 . . . . 70 VAL QG1 . 16658 1 330 . 2 2 30 30 VAL HG12 H 1 0.896 0.01 . 1 . . . . 70 VAL QG1 . 16658 1 331 . 2 2 30 30 VAL HG13 H 1 0.896 0.01 . 1 . . . . 70 VAL QG1 . 16658 1 332 . 2 2 30 30 VAL HG21 H 1 1.127 0.01 . 1 . . . . 70 VAL QG2 . 16658 1 333 . 2 2 30 30 VAL HG22 H 1 1.127 0.01 . 1 . . . . 70 VAL QG2 . 16658 1 334 . 2 2 30 30 VAL HG23 H 1 1.127 0.01 . 1 . . . . 70 VAL QG2 . 16658 1 335 . 2 2 30 30 VAL CA C 13 65.277 0.2 . 1 . . . . 70 VAL CA . 16658 1 336 . 2 2 30 30 VAL CB C 13 29.088 0.2 . 1 . . . . 70 VAL CB . 16658 1 337 . 2 2 30 30 VAL CG1 C 13 19.139 0.2 . 1 . . . . 70 VAL CG1 . 16658 1 338 . 2 2 30 30 VAL CG2 C 13 21.136 0.2 . 1 . . . . 70 VAL CG2 . 16658 1 339 . 2 2 30 30 VAL N N 15 118.615 0.1 . 1 . . . . 70 VAL N . 16658 1 340 . 2 2 31 31 PHE H H 1 8.945 0.01 . 1 . . . . 71 PHE H . 16658 1 341 . 2 2 31 31 PHE HA H 1 4.370 0.01 . 1 . . . . 71 PHE HA . 16658 1 342 . 2 2 31 31 PHE HB2 H 1 3.340 0.01 . 1 . . . . 71 PHE HB2 . 16658 1 343 . 2 2 31 31 PHE HB3 H 1 3.219 0.01 . 1 . . . . 71 PHE HB3 . 16658 1 344 . 2 2 31 31 PHE HD1 H 1 7.310 0.01 . 1 . . . . 71 PHE HD1 . 16658 1 345 . 2 2 31 31 PHE HD2 H 1 7.310 0.01 . 1 . . . . 71 PHE HD2 . 16658 1 346 . 2 2 31 31 PHE HE1 H 1 7.193 0.01 . 1 . . . . 71 PHE HE1 . 16658 1 347 . 2 2 31 31 PHE HE2 H 1 7.193 0.01 . 1 . . . . 71 PHE HE2 . 16658 1 348 . 2 2 31 31 PHE HZ H 1 7.133 0.01 . 1 . . . . 71 PHE HZ . 16658 1 349 . 2 2 31 31 PHE CA C 13 59.067 0.2 . 1 . . . . 71 PHE CA . 16658 1 350 . 2 2 31 31 PHE CB C 13 36.401 0.2 . 1 . . . . 71 PHE CB . 16658 1 351 . 2 2 31 31 PHE CZ C 13 128.700 0.2 . 1 . . . . 71 PHE CZ . 16658 1 352 . 2 2 31 31 PHE N N 15 117.534 0.1 . 1 . . . . 71 PHE N . 16658 1 353 . 2 2 32 32 GLY H H 1 8.673 0.01 . 1 . . . . 72 GLY H . 16658 1 354 . 2 2 32 32 GLY HA2 H 1 3.842 0.01 . 2 . . . . 72 GLY HA2 . 16658 1 355 . 2 2 32 32 GLY HA3 H 1 3.842 0.01 . 2 . . . . 72 GLY HA3 . 16658 1 356 . 2 2 32 32 GLY CA C 13 45.538 0.2 . 1 . . . . 72 GLY CA . 16658 1 357 . 2 2 32 32 GLY N N 15 106.248 0.1 . 1 . . . . 72 GLY N . 16658 1 358 . 2 2 33 33 ILE H H 1 8.368 0.01 . 1 . . . . 73 ILE H . 16658 1 359 . 2 2 33 33 ILE HA H 1 3.855 0.01 . 1 . . . . 73 ILE HA . 16658 1 360 . 2 2 33 33 ILE HB H 1 2.180 0.01 . 1 . . . . 73 ILE HB . 16658 1 361 . 2 2 33 33 ILE HD11 H 1 0.934 0.01 . 1 . . . . 73 ILE QD1 . 16658 1 362 . 2 2 33 33 ILE HD12 H 1 0.934 0.01 . 1 . . . . 73 ILE QD1 . 16658 1 363 . 2 2 33 33 ILE HD13 H 1 0.934 0.01 . 1 . . . . 73 ILE QD1 . 16658 1 364 . 2 2 33 33 ILE HG12 H 1 1.206 0.01 . 2 . . . . 73 ILE HG12 . 16658 1 365 . 2 2 33 33 ILE HG13 H 1 2.035 0.01 . 2 . . . . 73 ILE HG13 . 16658 1 366 . 2 2 33 33 ILE HG21 H 1 1.002 0.01 . 1 . . . . 73 ILE QG2 . 16658 1 367 . 2 2 33 33 ILE HG22 H 1 1.002 0.01 . 1 . . . . 73 ILE QG2 . 16658 1 368 . 2 2 33 33 ILE HG23 H 1 1.002 0.01 . 1 . . . . 73 ILE QG2 . 16658 1 369 . 2 2 33 33 ILE CA C 13 62.967 0.2 . 1 . . . . 73 ILE CA . 16658 1 370 . 2 2 33 33 ILE CB C 13 35.897 0.2 . 1 . . . . 73 ILE CB . 16658 1 371 . 2 2 33 33 ILE CD1 C 13 11.754 0.2 . 1 . . . . 73 ILE CD1 . 16658 1 372 . 2 2 33 33 ILE CG1 C 13 26.962 0.2 . 1 . . . . 73 ILE CG1 . 16658 1 373 . 2 2 33 33 ILE CG2 C 13 15.249 0.2 . 1 . . . . 73 ILE CG2 . 16658 1 374 . 2 2 33 33 ILE N N 15 121.033 0.1 . 1 . . . . 73 ILE N . 16658 1 375 . 2 2 34 34 LEU H H 1 8.265 0.01 . 1 . . . . 74 LEU H . 16658 1 376 . 2 2 34 34 LEU HA H 1 4.096 0.01 . 1 . . . . 74 LEU HA . 16658 1 377 . 2 2 34 34 LEU HB2 H 1 2.040 0.01 . 1 . . . . 74 LEU HB2 . 16658 1 378 . 2 2 34 34 LEU HB3 H 1 1.657 0.01 . 1 . . . . 74 LEU HB3 . 16658 1 379 . 2 2 34 34 LEU HD11 H 1 0.963 0.01 . 2 . . . . 74 LEU QD1 . 16658 1 380 . 2 2 34 34 LEU HD12 H 1 0.963 0.01 . 2 . . . . 74 LEU QD1 . 16658 1 381 . 2 2 34 34 LEU HD13 H 1 0.963 0.01 . 2 . . . . 74 LEU QD1 . 16658 1 382 . 2 2 34 34 LEU HG H 1 2.018 0.01 . 1 . . . . 74 LEU HG . 16658 1 383 . 2 2 34 34 LEU CA C 13 56.125 0.2 . 1 . . . . 74 LEU CA . 16658 1 384 . 2 2 34 34 LEU CB C 13 39.562 0.2 . 1 . . . . 74 LEU CB . 16658 1 385 . 2 2 34 34 LEU CD1 C 13 21.012 0.2 . 1 . . . . 74 LEU CD1 . 16658 1 386 . 2 2 34 34 LEU CG C 13 24.574 0.2 . 1 . . . . 74 LEU CG . 16658 1 387 . 2 2 34 34 LEU N N 15 119.400 0.1 . 1 . . . . 74 LEU N . 16658 1 388 . 2 2 35 35 ILE H H 1 8.502 0.01 . 1 . . . . 75 ILE H . 16658 1 389 . 2 2 35 35 ILE HA H 1 3.843 0.01 . 1 . . . . 75 ILE HA . 16658 1 390 . 2 2 35 35 ILE HB H 1 2.051 0.01 . 1 . . . . 75 ILE HB . 16658 1 391 . 2 2 35 35 ILE HD11 H 1 0.845 0.01 . 1 . . . . 75 ILE QD1 . 16658 1 392 . 2 2 35 35 ILE HD12 H 1 0.845 0.01 . 1 . . . . 75 ILE QD1 . 16658 1 393 . 2 2 35 35 ILE HD13 H 1 0.845 0.01 . 1 . . . . 75 ILE QD1 . 16658 1 394 . 2 2 35 35 ILE HG12 H 1 1.696 0.01 . 2 . . . . 75 ILE HG12 . 16658 1 395 . 2 2 35 35 ILE HG13 H 1 1.225 0.01 . 2 . . . . 75 ILE HG13 . 16658 1 396 . 2 2 35 35 ILE HG21 H 1 0.988 0.01 . 1 . . . . 75 ILE QG2 . 16658 1 397 . 2 2 35 35 ILE HG22 H 1 0.988 0.01 . 1 . . . . 75 ILE QG2 . 16658 1 398 . 2 2 35 35 ILE HG23 H 1 0.988 0.01 . 1 . . . . 75 ILE QG2 . 16658 1 399 . 2 2 35 35 ILE CA C 13 62.222 0.2 . 1 . . . . 75 ILE CA . 16658 1 400 . 2 2 35 35 ILE CB C 13 35.566 0.2 . 1 . . . . 75 ILE CB . 16658 1 401 . 2 2 35 35 ILE CD1 C 13 10.991 0.2 . 1 . . . . 75 ILE CD1 . 16658 1 402 . 2 2 35 35 ILE CG1 C 13 26.843 0.2 . 1 . . . . 75 ILE CG1 . 16658 1 403 . 2 2 35 35 ILE CG2 C 13 15.415 0.2 . 1 . . . . 75 ILE CG2 . 16658 1 404 . 2 2 35 35 ILE N N 15 118.264 0.1 . 1 . . . . 75 ILE N . 16658 1 405 . 2 2 36 36 LYS H H 1 8.000 0.01 . 1 . . . . 76 LYS H . 16658 1 406 . 2 2 36 36 LYS HA H 1 4.242 0.01 . 1 . . . . 76 LYS HA . 16658 1 407 . 2 2 36 36 LYS HB2 H 1 2.072 0.01 . 2 . . . . 76 LYS HB2 . 16658 1 408 . 2 2 36 36 LYS HB3 H 1 2.072 0.01 . 2 . . . . 76 LYS HB3 . 16658 1 409 . 2 2 36 36 LYS HD2 H 1 1.780 0.01 . 2 . . . . 76 LYS HD2 . 16658 1 410 . 2 2 36 36 LYS HD3 H 1 1.780 0.01 . 2 . . . . 76 LYS HD3 . 16658 1 411 . 2 2 36 36 LYS HE2 H 1 3.062 0.01 . 2 . . . . 76 LYS HE2 . 16658 1 412 . 2 2 36 36 LYS HE3 H 1 3.062 0.01 . 2 . . . . 76 LYS HE3 . 16658 1 413 . 2 2 36 36 LYS HG2 H 1 1.646 0.01 . 2 . . . . 76 LYS HG2 . 16658 1 414 . 2 2 36 36 LYS HG3 H 1 1.646 0.01 . 2 . . . . 76 LYS HG3 . 16658 1 415 . 2 2 36 36 LYS CA C 13 56.444 0.2 . 1 . . . . 76 LYS CA . 16658 1 416 . 2 2 36 36 LYS CB C 13 29.867 0.2 . 1 . . . . 76 LYS CB . 16658 1 417 . 2 2 36 36 LYS CD C 13 26.944 0.2 . 1 . . . . 76 LYS CD . 16658 1 418 . 2 2 36 36 LYS CE C 13 40.028 0.2 . 1 . . . . 76 LYS CE . 16658 1 419 . 2 2 36 36 LYS CG C 13 22.730 0.2 . 1 . . . . 76 LYS CG . 16658 1 420 . 2 2 36 36 LYS N N 15 120.638 0.1 . 1 . . . . 76 LYS N . 16658 1 421 . 2 2 37 37 ARG H H 1 8.280 0.01 . 1 . . . . 77 ARG H . 16658 1 422 . 2 2 37 37 ARG HA H 1 4.270 0.01 . 1 . . . . 77 ARG HA . 16658 1 423 . 2 2 37 37 ARG HB2 H 1 2.084 0.01 . 2 . . . . 77 ARG HB2 . 16658 1 424 . 2 2 37 37 ARG HB3 H 1 2.084 0.01 . 2 . . . . 77 ARG HB3 . 16658 1 425 . 2 2 37 37 ARG HD2 H 1 3.278 0.01 . 2 . . . . 77 ARG HD2 . 16658 1 426 . 2 2 37 37 ARG HD3 H 1 3.278 0.01 . 2 . . . . 77 ARG HD3 . 16658 1 427 . 2 2 37 37 ARG HG2 H 1 1.843 0.01 . 2 . . . . 77 ARG HG2 . 16658 1 428 . 2 2 37 37 ARG HG3 H 1 1.843 0.01 . 2 . . . . 77 ARG HG3 . 16658 1 429 . 2 2 37 37 ARG CA C 13 55.910 0.2 . 1 . . . . 77 ARG CA . 16658 1 430 . 2 2 37 37 ARG CB C 13 28.030 0.2 . 1 . . . . 77 ARG CB . 16658 1 431 . 2 2 37 37 ARG CD C 13 41.464 0.2 . 1 . . . . 77 ARG CD . 16658 1 432 . 2 2 37 37 ARG CG C 13 25.121 0.2 . 1 . . . . 77 ARG CG . 16658 1 433 . 2 2 37 37 ARG N N 15 118.088 0.1 . 1 . . . . 77 ARG N . 16658 1 434 . 2 2 38 38 ARG H H 1 7.923 0.01 . 1 . . . . 78 ARG H . 16658 1 435 . 2 2 38 38 ARG HA H 1 4.319 0.01 . 1 . . . . 78 ARG HA . 16658 1 436 . 2 2 38 38 ARG HB2 H 1 2.120 0.01 . 2 . . . . 78 ARG HB2 . 16658 1 437 . 2 2 38 38 ARG HB3 H 1 2.037 0.01 . 2 . . . . 78 ARG HB3 . 16658 1 438 . 2 2 38 38 ARG HD2 H 1 3.274 0.01 . 2 . . . . 78 ARG HD2 . 16658 1 439 . 2 2 38 38 ARG HD3 H 1 3.274 0.01 . 2 . . . . 78 ARG HD3 . 16658 1 440 . 2 2 38 38 ARG HG2 H 1 1.810 0.01 . 2 . . . . 78 ARG HG2 . 16658 1 441 . 2 2 38 38 ARG HG3 H 1 1.810 0.01 . 2 . . . . 78 ARG HG3 . 16658 1 442 . 2 2 38 38 ARG CA C 13 55.374 0.2 . 1 . . . . 78 ARG CA . 16658 1 443 . 2 2 38 38 ARG CB C 13 28.049 0.2 . 1 . . . . 78 ARG CB . 16658 1 444 . 2 2 38 38 ARG CD C 13 41.495 0.2 . 1 . . . . 78 ARG CD . 16658 1 445 . 2 2 38 38 ARG CG C 13 25.185 0.2 . 1 . . . . 78 ARG CG . 16658 1 446 . 2 2 38 38 ARG N N 15 119.169 0.1 . 1 . . . . 78 ARG N . 16658 1 447 . 2 2 39 39 GLN H H 1 8.104 0.01 . 1 . . . . 79 GLN H . 16658 1 448 . 2 2 39 39 GLN HA H 1 4.352 0.01 . 1 . . . . 79 GLN HA . 16658 1 449 . 2 2 39 39 GLN HB2 H 1 2.597 0.01 . 2 . . . . 79 GLN HB2 . 16658 1 450 . 2 2 39 39 GLN HB3 H 1 2.511 0.01 . 2 . . . . 79 GLN HB3 . 16658 1 451 . 2 2 39 39 GLN HG2 H 1 2.233 0.01 . 2 . . . . 79 GLN HG2 . 16658 1 452 . 2 2 39 39 GLN HG3 H 1 2.233 0.01 . 2 . . . . 79 GLN HG3 . 16658 1 453 . 2 2 39 39 GLN CA C 13 54.802 0.2 . 1 . . . . 79 GLN CA . 16658 1 454 . 2 2 39 39 GLN CB C 13 31.913 0.2 . 1 . . . . 79 GLN CB . 16658 1 455 . 2 2 39 39 GLN CG C 13 27.139 0.2 . 1 . . . . 79 GLN CG . 16658 1 456 . 2 2 39 39 GLN N N 15 118.761 0.1 . 1 . . . . 79 GLN N . 16658 1 457 . 2 2 40 40 GLN H H 1 8.097 0.01 . 1 . . . . 80 GLN H . 16658 1 458 . 2 2 40 40 GLN HA H 1 4.355 0.01 . 1 . . . . 80 GLN HA . 16658 1 459 . 2 2 40 40 GLN HB2 H 1 2.566 0.01 . 2 . . . . 80 GLN HB2 . 16658 1 460 . 2 2 40 40 GLN HB3 H 1 2.566 0.01 . 2 . . . . 80 GLN HB3 . 16658 1 461 . 2 2 40 40 GLN HG2 H 1 2.218 0.01 . 2 . . . . 80 GLN HG2 . 16658 1 462 . 2 2 40 40 GLN HG3 H 1 2.218 0.01 . 2 . . . . 80 GLN HG3 . 16658 1 463 . 2 2 40 40 GLN CA C 13 54.513 0.2 . 1 . . . . 80 GLN CA . 16658 1 464 . 2 2 40 40 GLN CB C 13 31.861 0.2 . 1 . . . . 80 GLN CB . 16658 1 465 . 2 2 40 40 GLN CG C 13 27.152 0.2 . 1 . . . . 80 GLN CG . 16658 1 466 . 2 2 40 40 GLN N N 15 119.654 0.1 . 1 . . . . 80 GLN N . 16658 1 467 . 2 2 41 41 LYS H H 1 8.174 0.01 . 1 . . . . 81 LYS H . 16658 1 468 . 2 2 41 41 LYS HA H 1 4.415 0.01 . 1 . . . . 81 LYS HA . 16658 1 469 . 2 2 41 41 LYS HB2 H 1 1.940 0.01 . 2 . . . . 81 LYS HB2 . 16658 1 470 . 2 2 41 41 LYS HB3 H 1 1.871 0.01 . 2 . . . . 81 LYS HB3 . 16658 1 471 . 2 2 41 41 LYS HD2 H 1 1.736 0.01 . 2 . . . . 81 LYS HD2 . 16658 1 472 . 2 2 41 41 LYS HD3 H 1 1.736 0.01 . 2 . . . . 81 LYS HD3 . 16658 1 473 . 2 2 41 41 LYS HE2 H 1 3.079 0.01 . 2 . . . . 81 LYS HE2 . 16658 1 474 . 2 2 41 41 LYS HE3 H 1 3.079 0.01 . 2 . . . . 81 LYS HE3 . 16658 1 475 . 2 2 41 41 LYS HG2 H 1 1.531 0.01 . 2 . . . . 81 LYS HG2 . 16658 1 476 . 2 2 41 41 LYS HG3 H 1 1.531 0.01 . 2 . . . . 81 LYS HG3 . 16658 1 477 . 2 2 41 41 LYS CA C 13 54.413 0.2 . 1 . . . . 81 LYS CA . 16658 1 478 . 2 2 41 41 LYS CB C 13 30.806 0.2 . 1 . . . . 81 LYS CB . 16658 1 479 . 2 2 41 41 LYS CD C 13 26.783 0.2 . 1 . . . . 81 LYS CD . 16658 1 480 . 2 2 41 41 LYS CE C 13 40.168 0.2 . 1 . . . . 81 LYS CE . 16658 1 481 . 2 2 41 41 LYS CG C 13 22.529 0.2 . 1 . . . . 81 LYS CG . 16658 1 482 . 2 2 41 41 LYS N N 15 121.466 0.1 . 1 . . . . 81 LYS N . 16658 1 483 . 2 2 42 42 ILE H H 1 8.071 0.01 . 1 . . . . 82 ILE H . 16658 1 484 . 2 2 42 42 ILE HA H 1 4.253 0.01 . 1 . . . . 82 ILE HA . 16658 1 485 . 2 2 42 42 ILE HB H 1 1.976 0.01 . 1 . . . . 82 ILE HB . 16658 1 486 . 2 2 42 42 ILE HD11 H 1 0.960 0.01 . 1 . . . . 82 ILE QD1 . 16658 1 487 . 2 2 42 42 ILE HD12 H 1 0.960 0.01 . 1 . . . . 82 ILE QD1 . 16658 1 488 . 2 2 42 42 ILE HD13 H 1 0.960 0.01 . 1 . . . . 82 ILE QD1 . 16658 1 489 . 2 2 42 42 ILE HG12 H 1 1.587 0.01 . 2 . . . . 82 ILE HG12 . 16658 1 490 . 2 2 42 42 ILE HG13 H 1 1.307 0.01 . 2 . . . . 82 ILE HG13 . 16658 1 491 . 2 2 42 42 ILE HG21 H 1 1.000 0.01 . 1 . . . . 82 ILE QG2 . 16658 1 492 . 2 2 42 42 ILE HG22 H 1 1.000 0.01 . 1 . . . . 82 ILE QG2 . 16658 1 493 . 2 2 42 42 ILE HG23 H 1 1.000 0.01 . 1 . . . . 82 ILE QG2 . 16658 1 494 . 2 2 42 42 ILE CA C 13 59.063 0.2 . 1 . . . . 82 ILE CA . 16658 1 495 . 2 2 42 42 ILE CB C 13 36.526 0.2 . 1 . . . . 82 ILE CB . 16658 1 496 . 2 2 42 42 ILE CD1 C 13 10.784 0.2 . 1 . . . . 82 ILE CD1 . 16658 1 497 . 2 2 42 42 ILE CG1 C 13 25.194 0.2 . 1 . . . . 82 ILE CG1 . 16658 1 498 . 2 2 42 42 ILE CG2 C 13 15.331 0.2 . 1 . . . . 82 ILE CG2 . 16658 1 499 . 2 2 42 42 ILE N N 15 121.287 0.1 . 1 . . . . 82 ILE N . 16658 1 500 . 2 2 43 43 ARG H H 1 8.320 0.01 . 1 . . . . 83 ARG H . 16658 1 501 . 2 2 43 43 ARG HA H 1 4.505 0.01 . 1 . . . . 83 ARG HA . 16658 1 502 . 2 2 43 43 ARG HB2 H 1 1.964 0.01 . 2 . . . . 83 ARG HB2 . 16658 1 503 . 2 2 43 43 ARG HB3 H 1 1.867 0.01 . 2 . . . . 83 ARG HB3 . 16658 1 504 . 2 2 43 43 ARG HD2 H 1 3.284 0.01 . 2 . . . . 83 ARG HD2 . 16658 1 505 . 2 2 43 43 ARG HD3 H 1 3.284 0.01 . 2 . . . . 83 ARG HD3 . 16658 1 506 . 2 2 43 43 ARG HG2 H 1 1.710 0.01 . 2 . . . . 83 ARG HG2 . 16658 1 507 . 2 2 43 43 ARG HG3 H 1 1.710 0.01 . 2 . . . . 83 ARG HG3 . 16658 1 508 . 2 2 43 43 ARG CA C 13 54.101 0.2 . 1 . . . . 83 ARG CA . 16658 1 509 . 2 2 43 43 ARG CB C 13 28.796 0.2 . 1 . . . . 83 ARG CB . 16658 1 510 . 2 2 43 43 ARG CD C 13 41.264 0.2 . 1 . . . . 83 ARG CD . 16658 1 511 . 2 2 43 43 ARG CG C 13 24.958 0.2 . 1 . . . . 83 ARG CG . 16658 1 512 . 2 2 43 43 ARG N N 15 125.623 0.1 . 1 . . . . 83 ARG N . 16658 1 513 . 2 2 44 44 LYS H H 1 7.998 0.01 . 1 . . . . 84 LYS H . 16658 1 514 . 2 2 44 44 LYS HA H 1 4.225 0.01 . 1 . . . . 84 LYS HA . 16658 1 515 . 2 2 44 44 LYS HB2 H 1 1.884 0.01 . 2 . . . . 84 LYS HB2 . 16658 1 516 . 2 2 44 44 LYS HB3 H 1 1.774 0.01 . 2 . . . . 84 LYS HB3 . 16658 1 517 . 2 2 44 44 LYS HD2 H 1 1.734 0.01 . 2 . . . . 84 LYS HD2 . 16658 1 518 . 2 2 44 44 LYS HD3 H 1 1.734 0.01 . 2 . . . . 84 LYS HD3 . 16658 1 519 . 2 2 44 44 LYS HE2 H 1 3.053 0.01 . 2 . . . . 84 LYS HE2 . 16658 1 520 . 2 2 44 44 LYS HE3 H 1 3.053 0.01 . 2 . . . . 84 LYS HE3 . 16658 1 521 . 2 2 44 44 LYS HG2 H 1 1.469 0.01 . 2 . . . . 84 LYS HG2 . 16658 1 522 . 2 2 44 44 LYS HG3 H 1 1.469 0.01 . 2 . . . . 84 LYS HG3 . 16658 1 523 . 2 2 44 44 LYS CA C 13 55.797 0.2 . 1 . . . . 84 LYS CA . 16658 1 524 . 2 2 44 44 LYS CB C 13 31.611 0.2 . 1 . . . . 84 LYS CB . 16658 1 525 . 2 2 44 44 LYS CD C 13 26.904 0.2 . 1 . . . . 84 LYS CD . 16658 1 526 . 2 2 44 44 LYS CE C 13 40.184 0.2 . 1 . . . . 84 LYS CE . 16658 1 527 . 2 2 44 44 LYS CG C 13 22.529 0.2 . 1 . . . . 84 LYS CG . 16658 1 528 . 2 2 44 44 LYS N N 15 128.502 0.1 . 1 . . . . 84 LYS N . 16658 1 529 . 1 1 1 1 GLU HA H 1 4.177 0.01 . 1 . . . . 134 GLU HA . 16658 1 530 . 1 1 1 1 GLU HB2 H 1 2.223 0.01 . 2 . . . . 134 GLU HB2 . 16658 1 531 . 1 1 1 1 GLU HB3 H 1 2.251 0.01 . 2 . . . . 134 GLU HB3 . 16658 1 532 . 1 1 1 1 GLU HG2 H 1 2.498 0.01 . 2 . . . . 134 GLU HG2 . 16658 1 533 . 1 1 1 1 GLU HG3 H 1 2.498 0.01 . 2 . . . . 134 GLU HG3 . 16658 1 534 . 1 1 1 1 GLU C C 13 170.233 0.2 . 1 . . . . 134 GLU C . 16658 1 535 . 1 1 1 1 GLU CA C 13 52.996 0.2 . 1 . . . . 134 GLU CA . 16658 1 536 . 1 1 1 1 GLU CB C 13 27.488 0.2 . 1 . . . . 134 GLU CB . 16658 1 537 . 1 1 1 1 GLU CG C 13 32.634 0.2 . 1 . . . . 134 GLU CG . 16658 1 538 . 1 1 2 2 GLY H H 1 8.778 0.01 . 1 . . . . 135 GLY H . 16658 1 539 . 1 1 2 2 GLY HA2 H 1 4.134 0.01 . 2 . . . . 135 GLY HA2 . 16658 1 540 . 1 1 2 2 GLY HA3 H 1 4.134 0.01 . 2 . . . . 135 GLY HA3 . 16658 1 541 . 1 1 2 2 GLY C C 13 170.548 0.2 . 1 . . . . 135 GLY C . 16658 1 542 . 1 1 2 2 GLY CA C 13 42.405 0.2 . 1 . . . . 135 GLY CA . 16658 1 543 . 1 1 2 2 GLY N N 15 110.907 0.1 . 1 . . . . 135 GLY N . 16658 1 544 . 1 1 3 3 CYS H H 1 8.568 0.01 . 1 . . . . 136 CYS H . 16658 1 545 . 1 1 3 3 CYS HA H 1 5.145 0.01 . 1 . . . . 136 CYS HA . 16658 1 546 . 1 1 3 3 CYS HB2 H 1 3.333 0.01 . 2 . . . . 136 CYS HB2 . 16658 1 547 . 1 1 3 3 CYS HB3 H 1 2.995 0.01 . 2 . . . . 136 CYS HB3 . 16658 1 548 . 1 1 3 3 CYS CA C 13 50.621 0.2 . 1 . . . . 136 CYS CA . 16658 1 549 . 1 1 3 3 CYS CB C 13 37.967 0.2 . 1 . . . . 136 CYS CB . 16658 1 550 . 1 1 3 3 CYS N N 15 119.833 0.1 . 1 . . . . 136 CYS N . 16658 1 551 . 1 1 4 4 PRO HA H 1 4.606 0.01 . 1 . . . . 137 PRO HA . 16658 1 552 . 1 1 4 4 PRO HB2 H 1 2.402 0.01 . 2 . . . . 137 PRO HB2 . 16658 1 553 . 1 1 4 4 PRO HB3 H 1 2.067 0.01 . 2 . . . . 137 PRO HB3 . 16658 1 554 . 1 1 4 4 PRO HD2 H 1 3.936 0.01 . 2 . . . . 137 PRO HD2 . 16658 1 555 . 1 1 4 4 PRO HD3 H 1 3.824 0.01 . 2 . . . . 137 PRO HD3 . 16658 1 556 . 1 1 4 4 PRO HG2 H 1 2.152 0.01 . 2 . . . . 137 PRO HG2 . 16658 1 557 . 1 1 4 4 PRO C C 13 174.178 0.2 . 1 . . . . 137 PRO C . 16658 1 558 . 1 1 4 4 PRO CA C 13 60.788 0.2 . 1 . . . . 137 PRO CA . 16658 1 559 . 1 1 4 4 PRO CB C 13 29.547 0.2 . 1 . . . . 137 PRO CB . 16658 1 560 . 1 1 4 4 PRO CD C 13 48.118 0.2 . 1 . . . . 137 PRO CD . 16658 1 561 . 1 1 4 4 PRO CG C 13 24.777 0.2 . 1 . . . . 137 PRO CG . 16658 1 562 . 1 1 5 5 THR H H 1 8.234 0.01 . 1 . . . . 138 THR H . 16658 1 563 . 1 1 5 5 THR HA H 1 4.409 0.01 . 1 . . . . 138 THR HA . 16658 1 564 . 1 1 5 5 THR HB H 1 4.315 0.01 . 1 . . . . 138 THR HB . 16658 1 565 . 1 1 5 5 THR HG21 H 1 1.306 0.01 . 1 . . . . 138 THR QG2 . 16658 1 566 . 1 1 5 5 THR HG22 H 1 1.306 0.01 . 1 . . . . 138 THR QG2 . 16658 1 567 . 1 1 5 5 THR HG23 H 1 1.306 0.01 . 1 . . . . 138 THR QG2 . 16658 1 568 . 1 1 5 5 THR C C 13 171.395 0.2 . 1 . . . . 138 THR C . 16658 1 569 . 1 1 5 5 THR CA C 13 59.283 0.2 . 1 . . . . 138 THR CA . 16658 1 570 . 1 1 5 5 THR CB C 13 66.962 0.2 . 1 . . . . 138 THR CB . 16658 1 571 . 1 1 5 5 THR CG2 C 13 19.009 0.2 . 1 . . . . 138 THR CG2 . 16658 1 572 . 1 1 5 5 THR N N 15 113.796 0.1 . 1 . . . . 138 THR N . 16658 1 573 . 1 1 6 6 ASN H H 1 8.402 0.01 . 1 . . . . 139 ASN H . 16658 1 574 . 1 1 6 6 ASN HA H 1 4.885 0.01 . 1 . . . . 139 ASN HA . 16658 1 575 . 1 1 6 6 ASN HB2 H 1 2.862 0.01 . 2 . . . . 139 ASN HB2 . 16658 1 576 . 1 1 6 6 ASN HB3 H 1 2.946 0.01 . 2 . . . . 139 ASN HB3 . 16658 1 577 . 1 1 6 6 ASN C C 13 172.121 0.2 . 1 . . . . 139 ASN C . 16658 1 578 . 1 1 6 6 ASN CA C 13 50.336 0.2 . 1 . . . . 139 ASN CA . 16658 1 579 . 1 1 6 6 ASN CB C 13 36.645 0.2 . 1 . . . . 139 ASN CB . 16658 1 580 . 1 1 6 6 ASN N N 15 120.736 0.1 . 1 . . . . 139 ASN N . 16658 1 581 . 1 1 7 7 GLY H H 1 8.192 0.01 . 1 . . . . 140 GLY H . 16658 1 582 . 1 1 7 7 GLY HA2 H 1 4.255 0.01 . 2 . . . . 140 GLY HA2 . 16658 1 583 . 1 1 7 7 GLY HA3 H 1 4.139 0.01 . 2 . . . . 140 GLY HA3 . 16658 1 584 . 1 1 7 7 GLY CA C 13 42.038 0.2 . 1 . . . . 140 GLY CA . 16658 1 585 . 1 1 7 7 GLY N N 15 109.009 0.1 . 1 . . . . 140 GLY N . 16658 1 586 . 1 1 8 8 PRO HA H 1 4.548 0.01 . 1 . . . . 141 PRO HA . 16658 1 587 . 1 1 8 8 PRO HB2 H 1 2.343 0.01 . 2 . . . . 141 PRO HB2 . 16658 1 588 . 1 1 8 8 PRO HB3 H 1 1.959 0.01 . 2 . . . . 141 PRO HB3 . 16658 1 589 . 1 1 8 8 PRO HD2 H 1 3.723 0.01 . 2 . . . . 141 PRO HD2 . 16658 1 590 . 1 1 8 8 PRO HD3 H 1 3.723 0.01 . 2 . . . . 141 PRO HD3 . 16658 1 591 . 1 1 8 8 PRO HG2 H 1 2.104 0.01 . 2 . . . . 141 PRO HG2 . 16658 1 592 . 1 1 8 8 PRO C C 13 173.767 0.2 . 1 . . . . 141 PRO C . 16658 1 593 . 1 1 8 8 PRO CA C 13 60.323 0.2 . 1 . . . . 141 PRO CA . 16658 1 594 . 1 1 8 8 PRO CB C 13 29.698 0.2 . 1 . . . . 141 PRO CB . 16658 1 595 . 1 1 8 8 PRO CD C 13 47.101 0.2 . 1 . . . . 141 PRO CD . 16658 1 596 . 1 1 8 8 PRO CG C 13 24.603 0.2 . 1 . . . . 141 PRO CG . 16658 1 597 . 1 1 9 9 LYS H H 1 8.463 0.01 . 1 . . . . 142 LYS H . 16658 1 598 . 1 1 9 9 LYS HA H 1 4.441 0.01 . 1 . . . . 142 LYS HA . 16658 1 599 . 1 1 9 9 LYS HB2 H 1 1.852 0.01 . 2 . . . . 142 LYS HB2 . 16658 1 600 . 1 1 9 9 LYS HB3 H 1 1.905 0.01 . 2 . . . . 142 LYS HB3 . 16658 1 601 . 1 1 9 9 LYS HD2 H 1 1.777 0.01 . 2 . . . . 142 LYS HD2 . 16658 1 602 . 1 1 9 9 LYS HD3 H 1 1.777 0.01 . 2 . . . . 142 LYS HD3 . 16658 1 603 . 1 1 9 9 LYS HE2 H 1 3.095 0.01 . 2 . . . . 142 LYS HE2 . 16658 1 604 . 1 1 9 9 LYS HE3 H 1 3.095 0.01 . 2 . . . . 142 LYS HE3 . 16658 1 605 . 1 1 9 9 LYS HG2 H 1 1.565 0.01 . 2 . . . . 142 LYS HG2 . 16658 1 606 . 1 1 9 9 LYS HG3 H 1 1.565 0.01 . 2 . . . . 142 LYS HG3 . 16658 1 607 . 1 1 9 9 LYS C C 13 173.234 0.2 . 1 . . . . 142 LYS C . 16658 1 608 . 1 1 9 9 LYS CA C 13 53.318 0.2 . 1 . . . . 142 LYS CA . 16658 1 609 . 1 1 9 9 LYS CB C 13 30.402 0.2 . 1 . . . . 142 LYS CB . 16658 1 610 . 1 1 9 9 LYS CD C 13 26.341 0.2 . 1 . . . . 142 LYS CD . 16658 1 611 . 1 1 9 9 LYS CE C 13 39.684 0.2 . 1 . . . . 142 LYS CE . 16658 1 612 . 1 1 9 9 LYS CG C 13 22.049 0.2 . 1 . . . . 142 LYS CG . 16658 1 613 . 1 1 9 9 LYS N N 15 121.544 0.1 . 1 . . . . 142 LYS N . 16658 1 614 . 1 1 10 10 ILE H H 1 8.203 0.01 . 1 . . . . 143 ILE H . 16658 1 615 . 1 1 10 10 ILE HA H 1 4.484 0.01 . 1 . . . . 143 ILE HA . 16658 1 616 . 1 1 10 10 ILE HB H 1 2.013 0.01 . 1 . . . . 143 ILE HB . 16658 1 617 . 1 1 10 10 ILE HD11 H 1 0.942 0.01 . 1 . . . . 143 ILE QD1 . 16658 1 618 . 1 1 10 10 ILE HD12 H 1 0.942 0.01 . 1 . . . . 143 ILE QD1 . 16658 1 619 . 1 1 10 10 ILE HD13 H 1 0.942 0.01 . 1 . . . . 143 ILE QD1 . 16658 1 620 . 1 1 10 10 ILE HG12 H 1 1.643 0.01 . 2 . . . . 143 ILE HG12 . 16658 1 621 . 1 1 10 10 ILE HG13 H 1 1.288 0.01 . 2 . . . . 143 ILE HG13 . 16658 1 622 . 1 1 10 10 ILE HG21 H 1 1.039 0.01 . 1 . . . . 143 ILE QG2 . 16658 1 623 . 1 1 10 10 ILE HG22 H 1 1.039 0.01 . 1 . . . . 143 ILE QG2 . 16658 1 624 . 1 1 10 10 ILE HG23 H 1 1.039 0.01 . 1 . . . . 143 ILE QG2 . 16658 1 625 . 1 1 10 10 ILE CA C 13 56.372 0.2 . 1 . . . . 143 ILE CA . 16658 1 626 . 1 1 10 10 ILE CB C 13 35.676 0.2 . 1 . . . . 143 ILE CB . 16658 1 627 . 1 1 10 10 ILE CD1 C 13 9.942 0.2 . 1 . . . . 143 ILE CD1 . 16658 1 628 . 1 1 10 10 ILE CG1 C 13 24.704 0.2 . 1 . . . . 143 ILE CG1 . 16658 1 629 . 1 1 10 10 ILE CG2 C 13 14.800 0.2 . 1 . . . . 143 ILE CG2 . 16658 1 630 . 1 1 10 10 ILE N N 15 122.311 0.1 . 1 . . . . 143 ILE N . 16658 1 631 . 1 1 11 11 PRO HA H 1 4.554 0.01 . 1 . . . . 144 PRO HA . 16658 1 632 . 1 1 11 11 PRO HB2 H 1 2.468 0.01 . 2 . . . . 144 PRO HB2 . 16658 1 633 . 1 1 11 11 PRO HB3 H 1 2.027 0.01 . 2 . . . . 144 PRO HB3 . 16658 1 634 . 1 1 11 11 PRO HD2 H 1 3.717 0.01 . 2 . . . . 144 PRO HD2 . 16658 1 635 . 1 1 11 11 PRO HD3 H 1 4.018 0.01 . 2 . . . . 144 PRO HD3 . 16658 1 636 . 1 1 11 11 PRO HG2 H 1 2.120 0.01 . 2 . . . . 144 PRO HG2 . 16658 1 637 . 1 1 11 11 PRO C C 13 173.960 0.2 . 1 . . . . 144 PRO C . 16658 1 638 . 1 1 11 11 PRO CA C 13 60.882 0.2 . 1 . . . . 144 PRO CA . 16658 1 639 . 1 1 11 11 PRO CB C 13 29.602 0.2 . 1 . . . . 144 PRO CB . 16658 1 640 . 1 1 11 11 PRO CD C 13 48.166 0.2 . 1 . . . . 144 PRO CD . 16658 1 641 . 1 1 11 11 PRO CG C 13 25.058 0.2 . 1 . . . . 144 PRO CG . 16658 1 642 . 1 1 12 12 SER H H 1 8.378 0.01 . 1 . . . . 145 SER H . 16658 1 643 . 1 1 12 12 SER HA H 1 4.505 0.01 . 1 . . . . 145 SER HA . 16658 1 644 . 1 1 12 12 SER HB2 H 1 4.061 0.01 . 2 . . . . 145 SER HB2 . 16658 1 645 . 1 1 12 12 SER HB3 H 1 4.021 0.01 . 2 . . . . 145 SER HB3 . 16658 1 646 . 1 1 12 12 SER C C 13 172.678 0.2 . 1 . . . . 145 SER C . 16658 1 647 . 1 1 12 12 SER CA C 13 56.805 0.2 . 1 . . . . 145 SER CA . 16658 1 648 . 1 1 12 12 SER CB C 13 60.957 0.2 . 1 . . . . 145 SER CB . 16658 1 649 . 1 1 12 12 SER N N 15 115.995 0.1 . 1 . . . . 145 SER N . 16658 1 650 . 1 1 13 13 ILE H H 1 8.290 0.01 . 1 . . . . 146 ILE H . 16658 1 651 . 1 1 13 13 ILE HA H 1 4.211 0.01 . 1 . . . . 146 ILE HA . 16658 1 652 . 1 1 13 13 ILE HB H 1 2.009 0.01 . 1 . . . . 146 ILE HB . 16658 1 653 . 1 1 13 13 ILE HD11 H 1 0.972 0.01 . 1 . . . . 146 ILE QD1 . 16658 1 654 . 1 1 13 13 ILE HD12 H 1 0.972 0.01 . 1 . . . . 146 ILE QD1 . 16658 1 655 . 1 1 13 13 ILE HD13 H 1 0.972 0.01 . 1 . . . . 146 ILE QD1 . 16658 1 656 . 1 1 13 13 ILE HG12 H 1 1.641 0.01 . 2 . . . . 146 ILE HG12 . 16658 1 657 . 1 1 13 13 ILE HG13 H 1 1.316 0.01 . 2 . . . . 146 ILE HG13 . 16658 1 658 . 1 1 13 13 ILE HG21 H 1 1.016 0.01 . 1 . . . . 146 ILE QG2 . 16658 1 659 . 1 1 13 13 ILE HG22 H 1 1.016 0.01 . 1 . . . . 146 ILE QG2 . 16658 1 660 . 1 1 13 13 ILE HG23 H 1 1.016 0.01 . 1 . . . . 146 ILE QG2 . 16658 1 661 . 1 1 13 13 ILE C C 13 173.041 0.2 . 1 . . . . 146 ILE C . 16658 1 662 . 1 1 13 13 ILE CA C 13 59.553 0.2 . 1 . . . . 146 ILE CA . 16658 1 663 . 1 1 13 13 ILE CB C 13 35.886 0.2 . 1 . . . . 146 ILE CB . 16658 1 664 . 1 1 13 13 ILE CD1 C 13 10.928 0.2 . 1 . . . . 146 ILE CD1 . 16658 1 665 . 1 1 13 13 ILE CG1 C 13 25.594 0.2 . 1 . . . . 146 ILE CG1 . 16658 1 666 . 1 1 13 13 ILE CG2 C 13 15.192 0.2 . 1 . . . . 146 ILE CG2 . 16658 1 667 . 1 1 13 13 ILE N N 15 120.965 0.1 . 1 . . . . 146 ILE N . 16658 1 668 . 1 1 14 14 ALA H H 1 8.208 0.01 . 1 . . . . 147 ALA H . 16658 1 669 . 1 1 14 14 ALA HA H 1 4.302 0.01 . 1 . . . . 147 ALA HA . 16658 1 670 . 1 1 14 14 ALA HB1 H 1 1.545 0.01 . 1 . . . . 147 ALA QB . 16658 1 671 . 1 1 14 14 ALA HB2 H 1 1.545 0.01 . 1 . . . . 147 ALA QB . 16658 1 672 . 1 1 14 14 ALA HB3 H 1 1.545 0.01 . 1 . . . . 147 ALA QB . 16658 1 673 . 1 1 14 14 ALA C C 13 175.243 0.2 . 1 . . . . 147 ALA C . 16658 1 674 . 1 1 14 14 ALA CA C 13 51.267 0.2 . 1 . . . . 147 ALA CA . 16658 1 675 . 1 1 14 14 ALA CB C 13 16.251 0.2 . 1 . . . . 147 ALA CB . 16658 1 676 . 1 1 14 14 ALA N N 15 124.005 0.1 . 1 . . . . 147 ALA N . 16658 1 677 . 1 1 15 15 THR H H 1 8.001 0.01 . 1 . . . . 148 THR H . 16658 1 678 . 1 1 15 15 THR HA H 1 4.006 0.01 . 1 . . . . 148 THR HA . 16658 1 679 . 1 1 15 15 THR HB H 1 4.301 0.01 . 1 . . . . 148 THR HB . 16658 1 680 . 1 1 15 15 THR HG21 H 1 1.307 0.01 . 1 . . . . 148 THR QG2 . 16658 1 681 . 1 1 15 15 THR HG22 H 1 1.307 0.01 . 1 . . . . 148 THR QG2 . 16658 1 682 . 1 1 15 15 THR HG23 H 1 1.307 0.01 . 1 . . . . 148 THR QG2 . 16658 1 683 . 1 1 15 15 THR C C 13 173.573 0.2 . 1 . . . . 148 THR C . 16658 1 684 . 1 1 15 15 THR CA C 13 63.004 0.2 . 1 . . . . 148 THR CA . 16658 1 685 . 1 1 15 15 THR CB C 13 65.789 0.2 . 1 . . . . 148 THR CB . 16658 1 686 . 1 1 15 15 THR CG2 C 13 19.858 0.2 . 1 . . . . 148 THR CG2 . 16658 1 687 . 1 1 15 15 THR N N 15 112.944 0.1 . 1 . . . . 148 THR N . 16658 1 688 . 1 1 16 16 GLY HA2 H 1 3.945 0.01 . 2 . . . . 149 GLY HA2 . 16658 1 689 . 1 1 16 16 GLY HA3 H 1 3.945 0.01 . 2 . . . . 149 GLY HA3 . 16658 1 690 . 1 1 16 16 GLY C C 13 172.000 0.2 . 1 . . . . 149 GLY C . 16658 1 691 . 1 1 16 16 GLY CA C 13 44.304 0.2 . 1 . . . . 149 GLY CA . 16658 1 692 . 1 1 17 17 MET H H 1 8.282 0.01 . 1 . . . . 150 MET H . 16658 1 693 . 1 1 17 17 MET HA H 1 4.324 0.01 . 1 . . . . 150 MET HA . 16658 1 694 . 1 1 17 17 MET HB2 H 1 2.343 0.01 . 1 . . . . 150 MET HB2 . 16658 1 695 . 1 1 17 17 MET HB3 H 1 2.138 0.01 . 1 . . . . 150 MET HB3 . 16658 1 696 . 1 1 17 17 MET HE1 H 1 2.103 0.01 . 1 . . . . 150 MET QE . 16658 1 697 . 1 1 17 17 MET HE2 H 1 2.103 0.01 . 1 . . . . 150 MET QE . 16658 1 698 . 1 1 17 17 MET HE3 H 1 2.103 0.01 . 1 . . . . 150 MET QE . 16658 1 699 . 1 1 17 17 MET HG2 H 1 2.748 0.01 . 2 . . . . 150 MET HG2 . 16658 1 700 . 1 1 17 17 MET HG3 H 1 2.606 0.01 . 2 . . . . 150 MET HG3 . 16658 1 701 . 1 1 17 17 MET C C 13 175.388 0.2 . 1 . . . . 150 MET C . 16658 1 702 . 1 1 17 17 MET CA C 13 55.752 0.2 . 1 . . . . 150 MET CA . 16658 1 703 . 1 1 17 17 MET CB C 13 30.204 0.2 . 1 . . . . 150 MET CB . 16658 1 704 . 1 1 17 17 MET CE C 13 14.613 0.2 . 1 . . . . 150 MET CE . 16658 1 705 . 1 1 17 17 MET CG C 13 30.225 0.2 . 1 . . . . 150 MET CG . 16658 1 706 . 1 1 17 17 MET N N 15 119.671 0.1 . 1 . . . . 150 MET N . 16658 1 707 . 1 1 18 18 VAL H H 1 8.200 0.01 . 1 . . . . 151 VAL H . 16658 1 708 . 1 1 18 18 VAL HA H 1 3.644 0.01 . 1 . . . . 151 VAL HA . 16658 1 709 . 1 1 18 18 VAL HB H 1 2.312 0.01 . 1 . . . . 151 VAL HB . 16658 1 710 . 1 1 18 18 VAL HG11 H 1 1.005 0.01 . 1 . . . . 151 VAL QG1 . 16658 1 711 . 1 1 18 18 VAL HG12 H 1 1.005 0.01 . 1 . . . . 151 VAL QG1 . 16658 1 712 . 1 1 18 18 VAL HG13 H 1 1.005 0.01 . 1 . . . . 151 VAL QG1 . 16658 1 713 . 1 1 18 18 VAL HG21 H 1 1.146 0.01 . 1 . . . . 151 VAL QG2 . 16658 1 714 . 1 1 18 18 VAL HG22 H 1 1.146 0.01 . 1 . . . . 151 VAL QG2 . 16658 1 715 . 1 1 18 18 VAL HG23 H 1 1.146 0.01 . 1 . . . . 151 VAL QG2 . 16658 1 716 . 1 1 18 18 VAL C C 13 174.783 0.2 . 1 . . . . 151 VAL C . 16658 1 717 . 1 1 18 18 VAL CA C 13 64.549 0.2 . 1 . . . . 151 VAL CA . 16658 1 718 . 1 1 18 18 VAL CB C 13 28.480 0.2 . 1 . . . . 151 VAL CB . 16658 1 719 . 1 1 18 18 VAL CG1 C 13 18.974 0.2 . 1 . . . . 151 VAL CG1 . 16658 1 720 . 1 1 18 18 VAL CG2 C 13 20.772 0.2 . 1 . . . . 151 VAL CG2 . 16658 1 721 . 1 1 18 18 VAL N N 15 118.343 0.1 . 1 . . . . 151 VAL N . 16658 1 722 . 1 1 19 19 GLY H H 1 8.451 0.01 . 1 . . . . 152 GLY H . 16658 1 723 . 1 1 19 19 GLY HA2 H 1 3.721 0.01 . 2 . . . . 152 GLY HA2 . 16658 1 724 . 1 1 19 19 GLY HA3 H 1 3.799 0.01 . 2 . . . . 152 GLY HA3 . 16658 1 725 . 1 1 19 19 GLY C C 13 171.516 0.2 . 1 . . . . 152 GLY C . 16658 1 726 . 1 1 19 19 GLY CA C 13 45.114 0.2 . 1 . . . . 152 GLY CA . 16658 1 727 . 1 1 19 19 GLY N N 15 106.213 0.1 . 1 . . . . 152 GLY N . 16658 1 728 . 1 1 20 20 ALA H H 1 8.276 0.01 . 1 . . . . 153 ALA H . 16658 1 729 . 1 1 20 20 ALA HA H 1 4.043 0.01 . 1 . . . . 153 ALA HA . 16658 1 730 . 1 1 20 20 ALA HB1 H 1 1.559 0.01 . 1 . . . . 153 ALA QB . 16658 1 731 . 1 1 20 20 ALA HB2 H 1 1.559 0.01 . 1 . . . . 153 ALA QB . 16658 1 732 . 1 1 20 20 ALA HB3 H 1 1.559 0.01 . 1 . . . . 153 ALA QB . 16658 1 733 . 1 1 20 20 ALA C C 13 175.751 0.2 . 1 . . . . 153 ALA C . 16658 1 734 . 1 1 20 20 ALA CA C 13 52.783 0.2 . 1 . . . . 153 ALA CA . 16658 1 735 . 1 1 20 20 ALA CB C 13 15.720 0.2 . 1 . . . . 153 ALA CB . 16658 1 736 . 1 1 20 20 ALA N N 15 122.200 0.1 . 1 . . . . 153 ALA N . 16658 1 737 . 1 1 21 21 LEU H H 1 8.150 0.01 . 1 . . . . 154 LEU H . 16658 1 738 . 1 1 21 21 LEU HA H 1 4.067 0.01 . 1 . . . . 154 LEU HA . 16658 1 739 . 1 1 21 21 LEU HB2 H 1 1.728 0.01 . 1 . . . . 154 LEU HB2 . 16658 1 740 . 1 1 21 21 LEU HB3 H 1 1.959 0.01 . 1 . . . . 154 LEU HB3 . 16658 1 741 . 1 1 21 21 LEU HD11 H 1 0.933 0.01 . 2 . . . . 154 LEU QD1 . 16658 1 742 . 1 1 21 21 LEU HD12 H 1 0.933 0.01 . 2 . . . . 154 LEU QD1 . 16658 1 743 . 1 1 21 21 LEU HD13 H 1 0.933 0.01 . 2 . . . . 154 LEU QD1 . 16658 1 744 . 1 1 21 21 LEU HD21 H 1 0.948 0.01 . 2 . . . . 154 LEU QD2 . 16658 1 745 . 1 1 21 21 LEU HD22 H 1 0.948 0.01 . 2 . . . . 154 LEU QD2 . 16658 1 746 . 1 1 21 21 LEU HD23 H 1 0.948 0.01 . 2 . . . . 154 LEU QD2 . 16658 1 747 . 1 1 21 21 LEU HG H 1 1.916 0.01 . 1 . . . . 154 LEU HG . 16658 1 748 . 1 1 21 21 LEU C C 13 175.436 0.2 . 1 . . . . 154 LEU C . 16658 1 749 . 1 1 21 21 LEU CA C 13 55.426 0.2 . 1 . . . . 154 LEU CA . 16658 1 750 . 1 1 21 21 LEU CB C 13 39.141 0.2 . 1 . . . . 154 LEU CB . 16658 1 751 . 1 1 21 21 LEU CD1 C 13 21.514 0.2 . 1 . . . . 154 LEU CD1 . 16658 1 752 . 1 1 21 21 LEU CD2 C 13 22.103 0.2 . 1 . . . . 154 LEU CD2 . 16658 1 753 . 1 1 21 21 LEU CG C 13 24.443 0.2 . 1 . . . . 154 LEU CG . 16658 1 754 . 1 1 21 21 LEU N N 15 116.928 0.1 . 1 . . . . 154 LEU N . 16658 1 755 . 1 1 22 22 LEU H H 1 8.410 0.01 . 1 . . . . 155 LEU H . 16658 1 756 . 1 1 22 22 LEU HA H 1 4.082 0.01 . 1 . . . . 155 LEU HA . 16658 1 757 . 1 1 22 22 LEU HB2 H 1 1.627 0.01 . 1 . . . . 155 LEU HB2 . 16658 1 758 . 1 1 22 22 LEU HB3 H 1 1.987 0.01 . 1 . . . . 155 LEU HB3 . 16658 1 759 . 1 1 22 22 LEU HD11 H 1 0.894 0.01 . 2 . . . . 155 LEU QD1 . 16658 1 760 . 1 1 22 22 LEU HD12 H 1 0.894 0.01 . 2 . . . . 155 LEU QD1 . 16658 1 761 . 1 1 22 22 LEU HD13 H 1 0.894 0.01 . 2 . . . . 155 LEU QD1 . 16658 1 762 . 1 1 22 22 LEU HD21 H 1 0.937 0.01 . 2 . . . . 155 LEU QD2 . 16658 1 763 . 1 1 22 22 LEU HD22 H 1 0.937 0.01 . 2 . . . . 155 LEU QD2 . 16658 1 764 . 1 1 22 22 LEU HD23 H 1 0.937 0.01 . 2 . . . . 155 LEU QD2 . 16658 1 765 . 1 1 22 22 LEU HG H 1 1.941 0.01 . 1 . . . . 155 LEU HG . 16658 1 766 . 1 1 22 22 LEU C C 13 174.759 0.2 . 1 . . . . 155 LEU C . 16658 1 767 . 1 1 22 22 LEU CA C 13 55.597 0.2 . 1 . . . . 155 LEU CA . 16658 1 768 . 1 1 22 22 LEU CB C 13 39.029 0.2 . 1 . . . . 155 LEU CB . 16658 1 769 . 1 1 22 22 LEU CD1 C 13 20.993 0.2 . 1 . . . . 155 LEU CD1 . 16658 1 770 . 1 1 22 22 LEU CD2 C 13 22.629 0.2 . 1 . . . . 155 LEU CD2 . 16658 1 771 . 1 1 22 22 LEU CG C 13 24.208 0.2 . 1 . . . . 155 LEU CG . 16658 1 772 . 1 1 22 22 LEU N N 15 118.002 0.1 . 1 . . . . 155 LEU N . 16658 1 773 . 1 1 23 23 LEU H H 1 8.211 0.01 . 1 . . . . 156 LEU H . 16658 1 774 . 1 1 23 23 LEU HA H 1 4.051 0.01 . 1 . . . . 156 LEU HA . 16658 1 775 . 1 1 23 23 LEU HB2 H 1 1.830 0.01 . 1 . . . . 156 LEU HB2 . 16658 1 776 . 1 1 23 23 LEU HB3 H 1 1.966 0.01 . 1 . . . . 156 LEU HB3 . 16658 1 777 . 1 1 23 23 LEU HD11 H 1 0.930 0.01 . 2 . . . . 156 LEU QD1 . 16658 1 778 . 1 1 23 23 LEU HD12 H 1 0.930 0.01 . 2 . . . . 156 LEU QD1 . 16658 1 779 . 1 1 23 23 LEU HD13 H 1 0.930 0.01 . 2 . . . . 156 LEU QD1 . 16658 1 780 . 1 1 23 23 LEU HD21 H 1 0.910 0.01 . 2 . . . . 156 LEU QD2 . 16658 1 781 . 1 1 23 23 LEU HD22 H 1 0.910 0.01 . 2 . . . . 156 LEU QD2 . 16658 1 782 . 1 1 23 23 LEU HD23 H 1 0.910 0.01 . 2 . . . . 156 LEU QD2 . 16658 1 783 . 1 1 23 23 LEU HG H 1 1.916 0.01 . 1 . . . . 156 LEU HG . 16658 1 784 . 1 1 23 23 LEU C C 13 175.267 0.2 . 1 . . . . 156 LEU C . 16658 1 785 . 1 1 23 23 LEU CA C 13 55.732 0.2 . 1 . . . . 156 LEU CA . 16658 1 786 . 1 1 23 23 LEU CB C 13 39.081 0.2 . 1 . . . . 156 LEU CB . 16658 1 787 . 1 1 23 23 LEU CD1 C 13 21.518 0.2 . 1 . . . . 156 LEU CD1 . 16658 1 788 . 1 1 23 23 LEU CD2 C 13 22.084 0.2 . 1 . . . . 156 LEU CD2 . 16658 1 789 . 1 1 23 23 LEU CG C 13 24.429 0.2 . 1 . . . . 156 LEU CG . 16658 1 790 . 1 1 23 23 LEU N N 15 118.325 0.1 . 1 . . . . 156 LEU N . 16658 1 791 . 1 1 24 24 LEU H H 1 8.266 0.01 . 1 . . . . 157 LEU H . 16658 1 792 . 1 1 24 24 LEU HA H 1 3.967 0.01 . 1 . . . . 157 LEU HA . 16658 1 793 . 1 1 24 24 LEU HB2 H 1 1.749 0.01 . 1 . . . . 157 LEU HB2 . 16658 1 794 . 1 1 24 24 LEU HB3 H 1 1.965 0.01 . 1 . . . . 157 LEU HB3 . 16658 1 795 . 1 1 24 24 LEU HD11 H 1 0.898 0.01 . 2 . . . . 157 LEU QD1 . 16658 1 796 . 1 1 24 24 LEU HD12 H 1 0.898 0.01 . 2 . . . . 157 LEU QD1 . 16658 1 797 . 1 1 24 24 LEU HD13 H 1 0.898 0.01 . 2 . . . . 157 LEU QD1 . 16658 1 798 . 1 1 24 24 LEU HD21 H 1 0.952 0.01 . 2 . . . . 157 LEU QD2 . 16658 1 799 . 1 1 24 24 LEU HD22 H 1 0.952 0.01 . 2 . . . . 157 LEU QD2 . 16658 1 800 . 1 1 24 24 LEU HD23 H 1 0.952 0.01 . 2 . . . . 157 LEU QD2 . 16658 1 801 . 1 1 24 24 LEU HG H 1 1.897 0.01 . 1 . . . . 157 LEU HG . 16658 1 802 . 1 1 24 24 LEU C C 13 175.267 0.2 . 1 . . . . 157 LEU C . 16658 1 803 . 1 1 24 24 LEU CA C 13 55.818 0.2 . 1 . . . . 157 LEU CA . 16658 1 804 . 1 1 24 24 LEU CB C 13 39.020 0.2 . 1 . . . . 157 LEU CB . 16658 1 805 . 1 1 24 24 LEU CD1 C 13 21.369 0.2 . 1 . . . . 157 LEU CD1 . 16658 1 806 . 1 1 24 24 LEU CD2 C 13 22.080 0.2 . 1 . . . . 157 LEU CD2 . 16658 1 807 . 1 1 24 24 LEU CG C 13 24.310 0.2 . 1 . . . . 157 LEU CG . 16658 1 808 . 1 1 24 24 LEU N N 15 118.157 0.1 . 1 . . . . 157 LEU N . 16658 1 809 . 1 1 25 25 LEU H H 1 8.311 0.01 . 1 . . . . 158 LEU H . 16658 1 810 . 1 1 25 25 LEU HA H 1 4.067 0.01 . 1 . . . . 158 LEU HA . 16658 1 811 . 1 1 25 25 LEU HB2 H 1 1.839 0.01 . 1 . . . . 158 LEU HB2 . 16658 1 812 . 1 1 25 25 LEU HB3 H 1 1.944 0.01 . 1 . . . . 158 LEU HB3 . 16658 1 813 . 1 1 25 25 LEU HD11 H 1 0.915 0.01 . 2 . . . . 158 LEU QD1 . 16658 1 814 . 1 1 25 25 LEU HD12 H 1 0.915 0.01 . 2 . . . . 158 LEU QD1 . 16658 1 815 . 1 1 25 25 LEU HD13 H 1 0.915 0.01 . 2 . . . . 158 LEU QD1 . 16658 1 816 . 1 1 25 25 LEU HD21 H 1 0.935 0.01 . 2 . . . . 158 LEU QD2 . 16658 1 817 . 1 1 25 25 LEU HD22 H 1 0.935 0.01 . 2 . . . . 158 LEU QD2 . 16658 1 818 . 1 1 25 25 LEU HD23 H 1 0.935 0.01 . 2 . . . . 158 LEU QD2 . 16658 1 819 . 1 1 25 25 LEU HG H 1 1.892 0.01 . 1 . . . . 158 LEU HG . 16658 1 820 . 1 1 25 25 LEU C C 13 175.267 0.2 . 1 . . . . 158 LEU C . 16658 1 821 . 1 1 25 25 LEU CA C 13 55.779 0.2 . 1 . . . . 158 LEU CA . 16658 1 822 . 1 1 25 25 LEU CB C 13 39.349 0.2 . 1 . . . . 158 LEU CB . 16658 1 823 . 1 1 25 25 LEU CD1 C 13 21.514 0.2 . 1 . . . . 158 LEU CD1 . 16658 1 824 . 1 1 25 25 LEU CD2 C 13 21.924 0.2 . 1 . . . . 158 LEU CD2 . 16658 1 825 . 1 1 25 25 LEU CG C 13 24.291 0.2 . 1 . . . . 158 LEU CG . 16658 1 826 . 1 1 25 25 LEU N N 15 118.277 0.1 . 1 . . . . 158 LEU N . 16658 1 827 . 1 1 26 26 VAL H H 1 8.299 0.01 . 1 . . . . 159 VAL H . 16658 1 828 . 1 1 26 26 VAL HA H 1 3.655 0.01 . 1 . . . . 159 VAL HA . 16658 1 829 . 1 1 26 26 VAL HB H 1 2.378 0.01 . 1 . . . . 159 VAL HB . 16658 1 830 . 1 1 26 26 VAL HG11 H 1 0.999 0.01 . 1 . . . . 159 VAL QG1 . 16658 1 831 . 1 1 26 26 VAL HG12 H 1 0.999 0.01 . 1 . . . . 159 VAL QG1 . 16658 1 832 . 1 1 26 26 VAL HG13 H 1 0.999 0.01 . 1 . . . . 159 VAL QG1 . 16658 1 833 . 1 1 26 26 VAL HG21 H 1 1.140 0.01 . 1 . . . . 159 VAL QG2 . 16658 1 834 . 1 1 26 26 VAL HG22 H 1 1.140 0.01 . 1 . . . . 159 VAL QG2 . 16658 1 835 . 1 1 26 26 VAL HG23 H 1 1.140 0.01 . 1 . . . . 159 VAL QG2 . 16658 1 836 . 1 1 26 26 VAL C C 13 174.735 0.2 . 1 . . . . 159 VAL C . 16658 1 837 . 1 1 26 26 VAL CA C 13 64.707 0.2 . 1 . . . . 159 VAL CA . 16658 1 838 . 1 1 26 26 VAL CB C 13 28.693 0.2 . 1 . . . . 159 VAL CB . 16658 1 839 . 1 1 26 26 VAL CG1 C 13 19.018 0.2 . 1 . . . . 159 VAL CG1 . 16658 1 840 . 1 1 26 26 VAL CG2 C 13 20.574 0.2 . 1 . . . . 159 VAL CG2 . 16658 1 841 . 1 1 26 26 VAL N N 15 117.832 0.1 . 1 . . . . 159 VAL N . 16658 1 842 . 1 1 27 27 VAL H H 1 8.365 0.01 . 1 . . . . 160 VAL H . 16658 1 843 . 1 1 27 27 VAL HA H 1 3.640 0.01 . 1 . . . . 160 VAL HA . 16658 1 844 . 1 1 27 27 VAL HB H 1 2.318 0.01 . 1 . . . . 160 VAL HB . 16658 1 845 . 1 1 27 27 VAL HG11 H 1 0.963 0.01 . 1 . . . . 160 VAL QG1 . 16658 1 846 . 1 1 27 27 VAL HG12 H 1 0.963 0.01 . 1 . . . . 160 VAL QG1 . 16658 1 847 . 1 1 27 27 VAL HG13 H 1 0.963 0.01 . 1 . . . . 160 VAL QG1 . 16658 1 848 . 1 1 27 27 VAL HG21 H 1 1.097 0.01 . 1 . . . . 160 VAL QG2 . 16658 1 849 . 1 1 27 27 VAL HG22 H 1 1.097 0.01 . 1 . . . . 160 VAL QG2 . 16658 1 850 . 1 1 27 27 VAL HG23 H 1 1.097 0.01 . 1 . . . . 160 VAL QG2 . 16658 1 851 . 1 1 27 27 VAL C C 13 174.251 0.2 . 1 . . . . 160 VAL C . 16658 1 852 . 1 1 27 27 VAL CA C 13 64.622 0.2 . 1 . . . . 160 VAL CA . 16658 1 853 . 1 1 27 27 VAL CB C 13 28.546 0.2 . 1 . . . . 160 VAL CB . 16658 1 854 . 1 1 27 27 VAL CG1 C 13 18.974 0.2 . 1 . . . . 160 VAL CG1 . 16658 1 855 . 1 1 27 27 VAL CG2 C 13 20.704 0.2 . 1 . . . . 160 VAL CG2 . 16658 1 856 . 1 1 27 27 VAL N N 15 119.271 0.1 . 1 . . . . 160 VAL N . 16658 1 857 . 1 1 28 28 ALA H H 1 8.665 0.01 . 1 . . . . 161 ALA H . 16658 1 858 . 1 1 28 28 ALA HA H 1 4.014 0.01 . 1 . . . . 161 ALA HA . 16658 1 859 . 1 1 28 28 ALA HB1 H 1 1.545 0.01 . 1 . . . . 161 ALA QB . 16658 1 860 . 1 1 28 28 ALA HB2 H 1 1.545 0.01 . 1 . . . . 161 ALA QB . 16658 1 861 . 1 1 28 28 ALA HB3 H 1 1.545 0.01 . 1 . . . . 161 ALA QB . 16658 1 862 . 1 1 28 28 ALA C C 13 176.332 0.2 . 1 . . . . 161 ALA C . 16658 1 863 . 1 1 28 28 ALA CA C 13 53.224 0.2 . 1 . . . . 161 ALA CA . 16658 1 864 . 1 1 28 28 ALA CB C 13 15.487 0.2 . 1 . . . . 161 ALA CB . 16658 1 865 . 1 1 28 28 ALA N N 15 121.238 0.1 . 1 . . . . 161 ALA N . 16658 1 866 . 1 1 29 29 LEU H H 1 8.543 0.01 . 1 . . . . 162 LEU H . 16658 1 867 . 1 1 29 29 LEU HA H 1 4.108 0.01 . 1 . . . . 162 LEU HA . 16658 1 868 . 1 1 29 29 LEU HB2 H 1 1.685 0.01 . 1 . . . . 162 LEU HB2 . 16658 1 869 . 1 1 29 29 LEU HB3 H 1 1.966 0.01 . 1 . . . . 162 LEU HB3 . 16658 1 870 . 1 1 29 29 LEU HD11 H 1 0.936 0.01 . 2 . . . . 162 LEU QD1 . 16658 1 871 . 1 1 29 29 LEU HD12 H 1 0.936 0.01 . 2 . . . . 162 LEU QD1 . 16658 1 872 . 1 1 29 29 LEU HD13 H 1 0.936 0.01 . 2 . . . . 162 LEU QD1 . 16658 1 873 . 1 1 29 29 LEU HD21 H 1 0.947 0.01 . 2 . . . . 162 LEU QD2 . 16658 1 874 . 1 1 29 29 LEU HD22 H 1 0.947 0.01 . 2 . . . . 162 LEU QD2 . 16658 1 875 . 1 1 29 29 LEU HD23 H 1 0.947 0.01 . 2 . . . . 162 LEU QD2 . 16658 1 876 . 1 1 29 29 LEU HG H 1 1.939 0.01 . 1 . . . . 162 LEU HG . 16658 1 877 . 1 1 29 29 LEU C C 13 175.848 0.2 . 1 . . . . 162 LEU C . 16658 1 878 . 1 1 29 29 LEU CA C 13 55.395 0.2 . 1 . . . . 162 LEU CA . 16658 1 879 . 1 1 29 29 LEU CB C 13 39.251 0.2 . 1 . . . . 162 LEU CB . 16658 1 880 . 1 1 29 29 LEU CD1 C 13 21.419 0.2 . 1 . . . . 162 LEU CD1 . 16658 1 881 . 1 1 29 29 LEU CD2 C 13 22.219 0.2 . 1 . . . . 162 LEU CD2 . 16658 1 882 . 1 1 29 29 LEU CG C 13 24.457 0.2 . 1 . . . . 162 LEU CG . 16658 1 883 . 1 1 29 29 LEU N N 15 116.882 0.1 . 1 . . . . 162 LEU N . 16658 1 884 . 1 1 30 30 GLY H H 1 8.707 0.01 . 1 . . . . 163 GLY H . 16658 1 885 . 1 1 30 30 GLY HA2 H 1 3.799 0.01 . 1 . . . . 163 GLY HA2 . 16658 1 886 . 1 1 30 30 GLY HA3 H 1 3.703 0.01 . 1 . . . . 163 GLY HA3 . 16658 1 887 . 1 1 30 30 GLY C C 13 172.073 0.2 . 1 . . . . 163 GLY C . 16658 1 888 . 1 1 30 30 GLY CA C 13 45.112 0.2 . 1 . . . . 163 GLY CA . 16658 1 889 . 1 1 30 30 GLY N N 15 106.598 0.1 . 1 . . . . 163 GLY N . 16658 1 890 . 1 1 31 31 ILE H H 1 8.754 0.01 . 1 . . . . 164 ILE H . 16658 1 891 . 1 1 31 31 ILE HA H 1 3.835 0.01 . 1 . . . . 164 ILE HA . 16658 1 892 . 1 1 31 31 ILE HB H 1 2.097 0.01 . 1 . . . . 164 ILE HB . 16658 1 893 . 1 1 31 31 ILE HD11 H 1 0.867 0.01 . 1 . . . . 164 ILE QD1 . 16658 1 894 . 1 1 31 31 ILE HD12 H 1 0.867 0.01 . 1 . . . . 164 ILE QD1 . 16658 1 895 . 1 1 31 31 ILE HD13 H 1 0.867 0.01 . 1 . . . . 164 ILE QD1 . 16658 1 896 . 1 1 31 31 ILE HG12 H 1 2.021 0.01 . 2 . . . . 164 ILE HG12 . 16658 1 897 . 1 1 31 31 ILE HG13 H 1 1.096 0.01 . 2 . . . . 164 ILE HG13 . 16658 1 898 . 1 1 31 31 ILE HG21 H 1 1.034 0.01 . 1 . . . . 164 ILE QG2 . 16658 1 899 . 1 1 31 31 ILE HG22 H 1 1.034 0.01 . 1 . . . . 164 ILE QG2 . 16658 1 900 . 1 1 31 31 ILE HG23 H 1 1.034 0.01 . 1 . . . . 164 ILE QG2 . 16658 1 901 . 1 1 31 31 ILE C C 13 175.243 0.2 . 1 . . . . 164 ILE C . 16658 1 902 . 1 1 31 31 ILE CA C 13 63.043 0.2 . 1 . . . . 164 ILE CA . 16658 1 903 . 1 1 31 31 ILE CB C 13 35.097 0.2 . 1 . . . . 164 ILE CB . 16658 1 904 . 1 1 31 31 ILE CD1 C 13 11.179 0.2 . 1 . . . . 164 ILE CD1 . 16658 1 905 . 1 1 31 31 ILE CG1 C 13 26.652 0.2 . 1 . . . . 164 ILE CG1 . 16658 1 906 . 1 1 31 31 ILE CG2 C 13 15.083 0.2 . 1 . . . . 164 ILE CG2 . 16658 1 907 . 1 1 31 31 ILE N N 15 121.246 0.1 . 1 . . . . 164 ILE N . 16658 1 908 . 1 1 32 32 GLY HA2 H 1 3.888 0.01 . 2 . . . . 165 GLY HA2 . 16658 1 909 . 1 1 32 32 GLY HA3 H 1 3.795 0.01 . 2 . . . . 165 GLY HA3 . 16658 1 910 . 1 1 32 32 GLY C C 13 172.532 0.2 . 1 . . . . 165 GLY C . 16658 1 911 . 1 1 32 32 GLY CA C 13 45.189 0.2 . 1 . . . . 165 GLY CA . 16658 1 912 . 1 1 33 33 LEU H H 1 8.655 0.01 . 1 . . . . 166 LEU H . 16658 1 913 . 1 1 33 33 LEU HA H 1 4.186 0.01 . 1 . . . . 166 LEU HA . 16658 1 914 . 1 1 33 33 LEU HB2 H 1 1.996 0.01 . 1 . . . . 166 LEU HB2 . 16658 1 915 . 1 1 33 33 LEU HB3 H 1 1.646 0.01 . 1 . . . . 166 LEU HB3 . 16658 1 916 . 1 1 33 33 LEU HD11 H 1 0.968 0.01 . 2 . . . . 166 LEU QD1 . 16658 1 917 . 1 1 33 33 LEU HD12 H 1 0.968 0.01 . 2 . . . . 166 LEU QD1 . 16658 1 918 . 1 1 33 33 LEU HD13 H 1 0.968 0.01 . 2 . . . . 166 LEU QD1 . 16658 1 919 . 1 1 33 33 LEU HD21 H 1 0.975 0.01 . 2 . . . . 166 LEU QD2 . 16658 1 920 . 1 1 33 33 LEU HD22 H 1 0.975 0.01 . 2 . . . . 166 LEU QD2 . 16658 1 921 . 1 1 33 33 LEU HD23 H 1 0.975 0.01 . 2 . . . . 166 LEU QD2 . 16658 1 922 . 1 1 33 33 LEU HG H 1 1.908 0.01 . 1 . . . . 166 LEU HG . 16658 1 923 . 1 1 33 33 LEU C C 13 176.041 0.2 . 1 . . . . 166 LEU C . 16658 1 924 . 1 1 33 33 LEU CA C 13 55.355 0.2 . 1 . . . . 166 LEU CA . 16658 1 925 . 1 1 33 33 LEU CB C 13 39.333 0.2 . 1 . . . . 166 LEU CB . 16658 1 926 . 1 1 33 33 LEU CD1 C 13 21.121 0.2 . 1 . . . . 166 LEU CD1 . 16658 1 927 . 1 1 33 33 LEU CD2 C 13 22.775 0.2 . 1 . . . . 166 LEU CD2 . 16658 1 928 . 1 1 33 33 LEU CG C 13 24.321 0.2 . 1 . . . . 166 LEU CG . 16658 1 929 . 1 1 33 33 LEU N N 15 121.166 0.1 . 1 . . . . 166 LEU N . 16658 1 930 . 1 1 34 34 PHE H H 1 8.354 0.01 . 1 . . . . 167 PHE H . 16658 1 931 . 1 1 34 34 PHE HA H 1 4.310 0.01 . 1 . . . . 167 PHE HA . 16658 1 932 . 1 1 34 34 PHE HB2 H 1 3.285 0.01 . 1 . . . . 167 PHE HB2 . 16658 1 933 . 1 1 34 34 PHE HB3 H 1 3.430 0.01 . 1 . . . . 167 PHE HB3 . 16658 1 934 . 1 1 34 34 PHE HD1 H 1 7.287 0.01 . 1 . . . . 167 PHE HD1 . 16658 1 935 . 1 1 34 34 PHE HD2 H 1 7.287 0.01 . 1 . . . . 167 PHE HD2 . 16658 1 936 . 1 1 34 34 PHE HE1 H 1 7.360 0.01 . 1 . . . . 167 PHE HE1 . 16658 1 937 . 1 1 34 34 PHE HE2 H 1 7.360 0.01 . 1 . . . . 167 PHE HE2 . 16658 1 938 . 1 1 34 34 PHE HZ H 1 7.346 0.01 . 1 . . . . 167 PHE HZ . 16658 1 939 . 1 1 34 34 PHE C C 13 174.783 0.2 . 1 . . . . 167 PHE C . 16658 1 940 . 1 1 34 34 PHE CA C 13 58.710 0.2 . 1 . . . . 167 PHE CA . 16658 1 941 . 1 1 34 34 PHE CB C 13 36.885 0.2 . 1 . . . . 167 PHE CB . 16658 1 942 . 1 1 34 34 PHE CD1 C 13 128.936 0.2 . 1 . . . . 167 PHE CD1 . 16658 1 943 . 1 1 34 34 PHE CE1 C 13 128.842 0.2 . 1 . . . . 167 PHE CE1 . 16658 1 944 . 1 1 34 34 PHE CZ C 13 127.252 0.2 . 1 . . . . 167 PHE CZ . 16658 1 945 . 1 1 34 34 PHE N N 15 119.611 0.1 . 1 . . . . 167 PHE N . 16658 1 946 . 1 1 35 35 MET H H 1 8.656 0.01 . 1 . . . . 168 MET H . 16658 1 947 . 1 1 35 35 MET HA H 1 4.198 0.01 . 1 . . . . 168 MET HA . 16658 1 948 . 1 1 35 35 MET HB2 H 1 2.360 0.01 . 1 . . . . 168 MET HB2 . 16658 1 949 . 1 1 35 35 MET HB3 H 1 2.279 0.01 . 1 . . . . 168 MET HB3 . 16658 1 950 . 1 1 35 35 MET HE1 H 1 2.195 0.01 . 1 . . . . 168 MET QE . 16658 1 951 . 1 1 35 35 MET HE2 H 1 2.195 0.01 . 1 . . . . 168 MET QE . 16658 1 952 . 1 1 35 35 MET HE3 H 1 2.195 0.01 . 1 . . . . 168 MET QE . 16658 1 953 . 1 1 35 35 MET HG2 H 1 2.811 0.01 . 2 . . . . 168 MET HG2 . 16658 1 954 . 1 1 35 35 MET HG3 H 1 2.953 0.01 . 2 . . . . 168 MET HG3 . 16658 1 955 . 1 1 35 35 MET C C 13 175.243 0.2 . 1 . . . . 168 MET C . 16658 1 956 . 1 1 35 35 MET CA C 13 55.291 0.2 . 1 . . . . 168 MET CA . 16658 1 957 . 1 1 35 35 MET CB C 13 30.074 0.2 . 1 . . . . 168 MET CB . 16658 1 958 . 1 1 35 35 MET CE C 13 14.413 0.2 . 1 . . . . 168 MET CE . 16658 1 959 . 1 1 35 35 MET CG C 13 30.290 0.2 . 1 . . . . 168 MET CG . 16658 1 960 . 1 1 35 35 MET N N 15 116.824 0.1 . 1 . . . . 168 MET N . 16658 1 961 . 1 1 36 36 ARG H H 1 7.983 0.01 . 1 . . . . 169 ARG H . 16658 1 962 . 1 1 36 36 ARG HA H 1 4.301 0.01 . 1 . . . . 169 ARG HA . 16658 1 963 . 1 1 36 36 ARG HB2 H 1 2.109 0.01 . 2 . . . . 169 ARG HB2 . 16658 1 964 . 1 1 36 36 ARG HB3 H 1 2.028 0.01 . 2 . . . . 169 ARG HB3 . 16658 1 965 . 1 1 36 36 ARG HD2 H 1 3.281 0.01 . 2 . . . . 169 ARG HD2 . 16658 1 966 . 1 1 36 36 ARG HD3 H 1 3.281 0.01 . 2 . . . . 169 ARG HD3 . 16658 1 967 . 1 1 36 36 ARG HG2 H 1 1.879 0.01 . 2 . . . . 169 ARG HG2 . 16658 1 968 . 1 1 36 36 ARG HG3 H 1 1.833 0.01 . 2 . . . . 169 ARG HG3 . 16658 1 969 . 1 1 36 36 ARG C C 13 174.662 0.2 . 1 . . . . 169 ARG C . 16658 1 970 . 1 1 36 36 ARG CA C 13 55.195 0.2 . 1 . . . . 169 ARG CA . 16658 1 971 . 1 1 36 36 ARG CB C 13 27.683 0.2 . 1 . . . . 169 ARG CB . 16658 1 972 . 1 1 36 36 ARG CD C 13 40.913 0.2 . 1 . . . . 169 ARG CD . 16658 1 973 . 1 1 36 36 ARG CG C 13 24.777 0.2 . 1 . . . . 169 ARG CG . 16658 1 974 . 1 1 36 36 ARG N N 15 118.597 0.1 . 1 . . . . 169 ARG N . 16658 1 975 . 1 1 37 37 ARG H H 1 7.887 0.01 . 1 . . . . 170 ARG H . 16658 1 976 . 1 1 37 37 ARG HA H 1 4.265 0.01 . 1 . . . . 170 ARG HA . 16658 1 977 . 1 1 37 37 ARG HB2 H 1 1.989 0.01 . 2 . . . . 170 ARG HB2 . 16658 1 978 . 1 1 37 37 ARG HB3 H 1 1.898 0.01 . 2 . . . . 170 ARG HB3 . 16658 1 979 . 1 1 37 37 ARG HD2 H 1 3.234 0.01 . 2 . . . . 170 ARG HD2 . 16658 1 980 . 1 1 37 37 ARG HD3 H 1 3.234 0.01 . 2 . . . . 170 ARG HD3 . 16658 1 981 . 1 1 37 37 ARG HG2 H 1 1.771 0.01 . 2 . . . . 170 ARG HG2 . 16658 1 982 . 1 1 37 37 ARG HG3 H 1 1.771 0.01 . 2 . . . . 170 ARG HG3 . 16658 1 983 . 1 1 37 37 ARG C C 13 173.815 0.2 . 1 . . . . 170 ARG C . 16658 1 984 . 1 1 37 37 ARG CA C 13 54.465 0.2 . 1 . . . . 170 ARG CA . 16658 1 985 . 1 1 37 37 ARG CB C 13 27.558 0.2 . 1 . . . . 170 ARG CB . 16658 1 986 . 1 1 37 37 ARG CD C 13 40.801 0.2 . 1 . . . . 170 ARG CD . 16658 1 987 . 1 1 37 37 ARG CG C 13 24.638 0.2 . 1 . . . . 170 ARG CG . 16658 1 988 . 1 1 37 37 ARG N N 15 118.493 0.1 . 1 . . . . 170 ARG N . 16658 1 989 . 1 1 38 38 ARG H H 1 7.796 0.01 . 1 . . . . 171 ARG H . 16658 1 990 . 1 1 38 38 ARG HA H 1 4.236 0.01 . 1 . . . . 171 ARG HA . 16658 1 991 . 1 1 38 38 ARG HB2 H 1 1.700 0.01 . 2 . . . . 171 ARG HB2 . 16658 1 992 . 1 1 38 38 ARG HB3 H 1 1.815 0.01 . 2 . . . . 171 ARG HB3 . 16658 1 993 . 1 1 38 38 ARG HD2 H 1 3.137 0.01 . 2 . . . . 171 ARG HD2 . 16658 1 994 . 1 1 38 38 ARG HD3 H 1 3.137 0.01 . 2 . . . . 171 ARG HD3 . 16658 1 995 . 1 1 38 38 ARG HE H 1 7.363 0.01 . 1 . . . . 171 ARG HE . 16658 1 996 . 1 1 38 38 ARG HG2 H 1 1.546 0.01 . 2 . . . . 171 ARG HG2 . 16658 1 997 . 1 1 38 38 ARG HG3 H 1 1.546 0.01 . 2 . . . . 171 ARG HG3 . 16658 1 998 . 1 1 38 38 ARG C C 13 173.065 0.2 . 1 . . . . 171 ARG C . 16658 1 999 . 1 1 38 38 ARG CA C 13 53.650 0.2 . 1 . . . . 171 ARG CA . 16658 1 1000 . 1 1 38 38 ARG CB C 13 27.731 0.2 . 1 . . . . 171 ARG CB . 16658 1 1001 . 1 1 38 38 ARG CD C 13 40.689 0.2 . 1 . . . . 171 ARG CD . 16658 1 1002 . 1 1 38 38 ARG CG C 13 24.327 0.2 . 1 . . . . 171 ARG CG . 16658 1 1003 . 1 1 38 38 ARG N N 15 118.505 0.1 . 1 . . . . 171 ARG N . 16658 1 1004 . 1 1 39 39 HIS H H 1 8.162 0.01 . 1 . . . . 172 HIS H . 16658 1 1005 . 1 1 39 39 HIS HA H 1 4.740 0.01 . 1 . . . . 172 HIS HA . 16658 1 1006 . 1 1 39 39 HIS HB2 H 1 3.398 0.01 . 2 . . . . 172 HIS HB2 . 16658 1 1007 . 1 1 39 39 HIS HB3 H 1 3.269 0.01 . 2 . . . . 172 HIS HB3 . 16658 1 1008 . 1 1 39 39 HIS HD2 H 1 7.335 0.01 . 1 . . . . 172 HIS HD2 . 16658 1 1009 . 1 1 39 39 HIS HE1 H 1 8.617 0.01 . 1 . . . . 172 HIS HE1 . 16658 1 1010 . 1 1 39 39 HIS C C 13 171.274 0.2 . 1 . . . . 172 HIS C . 16658 1 1011 . 1 1 39 39 HIS CA C 13 52.715 0.2 . 1 . . . . 172 HIS CA . 16658 1 1012 . 1 1 39 39 HIS CB C 13 26.236 0.2 . 1 . . . . 172 HIS CB . 16658 1 1013 . 1 1 39 39 HIS CD2 C 13 117.310 0.2 . 1 . . . . 172 HIS CD2 . 16658 1 1014 . 1 1 39 39 HIS CE1 C 13 133.828 0.2 . 1 . . . . 172 HIS CE1 . 16658 1 1015 . 1 1 39 39 HIS N N 15 118.062 0.1 . 1 . . . . 172 HIS N . 16658 1 1016 . 1 1 40 40 ILE H H 1 8.070 0.01 . 1 . . . . 173 ILE H . 16658 1 1017 . 1 1 40 40 ILE HA H 1 4.227 0.01 . 1 . . . . 173 ILE HA . 16658 1 1018 . 1 1 40 40 ILE HB H 1 1.922 0.01 . 1 . . . . 173 ILE HB . 16658 1 1019 . 1 1 40 40 ILE HD11 H 1 0.935 0.01 . 1 . . . . 173 ILE QD1 . 16658 1 1020 . 1 1 40 40 ILE HD12 H 1 0.935 0.01 . 1 . . . . 173 ILE QD1 . 16658 1 1021 . 1 1 40 40 ILE HD13 H 1 0.935 0.01 . 1 . . . . 173 ILE QD1 . 16658 1 1022 . 1 1 40 40 ILE HG12 H 1 1.561 0.01 . 2 . . . . 173 ILE HG12 . 16658 1 1023 . 1 1 40 40 ILE HG13 H 1 1.250 0.01 . 2 . . . . 173 ILE HG13 . 16658 1 1024 . 1 1 40 40 ILE HG21 H 1 0.956 0.01 . 1 . . . . 173 ILE QG2 . 16658 1 1025 . 1 1 40 40 ILE HG22 H 1 0.956 0.01 . 1 . . . . 173 ILE QG2 . 16658 1 1026 . 1 1 40 40 ILE HG23 H 1 0.956 0.01 . 1 . . . . 173 ILE QG2 . 16658 1 1027 . 1 1 40 40 ILE C C 13 172.847 0.2 . 1 . . . . 173 ILE C . 16658 1 1028 . 1 1 40 40 ILE CA C 13 58.678 0.2 . 1 . . . . 173 ILE CA . 16658 1 1029 . 1 1 40 40 ILE CB C 13 36.079 0.2 . 1 . . . . 173 ILE CB . 16658 1 1030 . 1 1 40 40 ILE CD1 C 13 10.295 0.2 . 1 . . . . 173 ILE CD1 . 16658 1 1031 . 1 1 40 40 ILE CG1 C 13 24.779 0.2 . 1 . . . . 173 ILE CG1 . 16658 1 1032 . 1 1 40 40 ILE CG2 C 13 14.825 0.2 . 1 . . . . 173 ILE CG2 . 16658 1 1033 . 1 1 40 40 ILE N N 15 121.774 0.1 . 1 . . . . 173 ILE N . 16658 1 1034 . 1 1 41 41 VAL H H 1 8.175 0.01 . 1 . . . . 174 VAL H . 16658 1 1035 . 1 1 41 41 VAL HA H 1 4.189 0.01 . 1 . . . . 174 VAL HA . 16658 1 1036 . 1 1 41 41 VAL HB H 1 2.126 0.01 . 1 . . . . 174 VAL HB . 16658 1 1037 . 1 1 41 41 VAL HG11 H 1 0.993 0.01 . 2 . . . . 174 VAL QG1 . 16658 1 1038 . 1 1 41 41 VAL HG12 H 1 0.993 0.01 . 2 . . . . 174 VAL QG1 . 16658 1 1039 . 1 1 41 41 VAL HG13 H 1 0.993 0.01 . 2 . . . . 174 VAL QG1 . 16658 1 1040 . 1 1 41 41 VAL HG21 H 1 1.001 0.01 . 2 . . . . 174 VAL QG2 . 16658 1 1041 . 1 1 41 41 VAL HG22 H 1 1.001 0.01 . 2 . . . . 174 VAL QG2 . 16658 1 1042 . 1 1 41 41 VAL HG23 H 1 1.001 0.01 . 2 . . . . 174 VAL QG2 . 16658 1 1043 . 1 1 41 41 VAL C C 13 172.702 0.2 . 1 . . . . 174 VAL C . 16658 1 1044 . 1 1 41 41 VAL CA C 13 59.532 0.2 . 1 . . . . 174 VAL CA . 16658 1 1045 . 1 1 41 41 VAL CG1 C 13 18.552 0.2 . 1 . . . . 174 VAL CG1 . 16658 1 1046 . 1 1 41 41 VAL CG2 C 13 18.043 0.2 . 1 . . . . 174 VAL CG2 . 16658 1 1047 . 1 1 41 41 VAL N N 15 124.108 0.1 . 1 . . . . 174 VAL N . 16658 1 1048 . 1 1 42 42 ARG H H 1 8.380 0.01 . 1 . . . . 175 ARG H . 16658 1 1049 . 1 1 42 42 ARG HA H 1 4.448 0.01 . 1 . . . . 175 ARG HA . 16658 1 1050 . 1 1 42 42 ARG HB2 H 1 1.933 0.01 . 2 . . . . 175 ARG HB2 . 16658 1 1051 . 1 1 42 42 ARG HB3 H 1 1.829 0.01 . 2 . . . . 175 ARG HB3 . 16658 1 1052 . 1 1 42 42 ARG HD2 H 1 3.267 0.01 . 2 . . . . 175 ARG HD2 . 16658 1 1053 . 1 1 42 42 ARG HD3 H 1 3.267 0.01 . 2 . . . . 175 ARG HD3 . 16658 1 1054 . 1 1 42 42 ARG HG2 H 1 1.725 0.01 . 2 . . . . 175 ARG HG2 . 16658 1 1055 . 1 1 42 42 ARG HG3 H 1 1.725 0.01 . 2 . . . . 175 ARG HG3 . 16658 1 1056 . 1 1 42 42 ARG CA C 13 53.227 0.2 . 1 . . . . 175 ARG CA . 16658 1 1057 . 1 1 42 42 ARG CB C 13 28.395 0.2 . 1 . . . . 175 ARG CB . 16658 1 1058 . 1 1 42 42 ARG CD C 13 40.820 0.2 . 1 . . . . 175 ARG CD . 16658 1 1059 . 1 1 42 42 ARG CG C 13 24.434 0.2 . 1 . . . . 175 ARG CG . 16658 1 1060 . 1 1 42 42 ARG N N 15 125.342 0.1 . 1 . . . . 175 ARG N . 16658 1 1061 . 1 1 43 43 LYS H H 1 8.379 0.01 . 1 . . . . 176 LYS H . 16658 1 1062 . 1 1 43 43 LYS HA H 1 4.385 0.01 . 1 . . . . 176 LYS HA . 16658 1 1063 . 1 1 43 43 LYS HB2 H 1 1.846 0.01 . 2 . . . . 176 LYS HB2 . 16658 1 1064 . 1 1 43 43 LYS HB3 H 1 1.934 0.01 . 2 . . . . 176 LYS HB3 . 16658 1 1065 . 1 1 43 43 LYS HD2 H 1 1.784 0.01 . 2 . . . . 176 LYS HD2 . 16658 1 1066 . 1 1 43 43 LYS HD3 H 1 1.784 0.01 . 2 . . . . 176 LYS HD3 . 16658 1 1067 . 1 1 43 43 LYS HE2 H 1 3.084 0.01 . 2 . . . . 176 LYS HE2 . 16658 1 1068 . 1 1 43 43 LYS HE3 H 1 3.084 0.01 . 2 . . . . 176 LYS HE3 . 16658 1 1069 . 1 1 43 43 LYS HG2 H 1 1.495 0.01 . 2 . . . . 176 LYS HG2 . 16658 1 1070 . 1 1 43 43 LYS HG3 H 1 1.495 0.01 . 2 . . . . 176 LYS HG3 . 16658 1 1071 . 1 1 43 43 LYS C C 13 172.460 0.2 . 1 . . . . 176 LYS C . 16658 1 1072 . 1 1 43 43 LYS CA C 13 53.840 0.2 . 1 . . . . 176 LYS CA . 16658 1 1073 . 1 1 43 43 LYS CB C 13 30.475 0.2 . 1 . . . . 176 LYS CB . 16658 1 1074 . 1 1 43 43 LYS CD C 13 26.407 0.2 . 1 . . . . 176 LYS CD . 16658 1 1075 . 1 1 43 43 LYS CE C 13 39.675 0.2 . 1 . . . . 176 LYS CE . 16658 1 1076 . 1 1 43 43 LYS CG C 13 22.089 0.2 . 1 . . . . 176 LYS CG . 16658 1 1077 . 1 1 43 43 LYS N N 15 123.844 0.1 . 1 . . . . 176 LYS N . 16658 1 1078 . 1 1 44 44 ARG H H 1 7.994 0.01 . 1 . . . . 177 ARG H . 16658 1 1079 . 1 1 44 44 ARG HA H 1 4.243 0.01 . 1 . . . . 177 ARG HA . 16658 1 1080 . 1 1 44 44 ARG HB2 H 1 1.920 0.01 . 2 . . . . 177 ARG HB2 . 16658 1 1081 . 1 1 44 44 ARG HB3 H 1 1.803 0.01 . 2 . . . . 177 ARG HB3 . 16658 1 1082 . 1 1 44 44 ARG HD2 H 1 3.277 0.01 . 2 . . . . 177 ARG HD2 . 16658 1 1083 . 1 1 44 44 ARG HD3 H 1 3.277 0.01 . 2 . . . . 177 ARG HD3 . 16658 1 1084 . 1 1 44 44 ARG HG2 H 1 1.693 0.01 . 2 . . . . 177 ARG HG2 . 16658 1 1085 . 1 1 44 44 ARG HG3 H 1 1.693 0.01 . 2 . . . . 177 ARG HG3 . 16658 1 1086 . 1 1 44 44 ARG CA C 13 54.760 0.2 . 1 . . . . 177 ARG CA . 16658 1 1087 . 1 1 44 44 ARG CB C 13 29.002 0.2 . 1 . . . . 177 ARG CB . 16658 1 1088 . 1 1 44 44 ARG CD C 13 40.746 0.2 . 1 . . . . 177 ARG CD . 16658 1 1089 . 1 1 44 44 ARG CG C 13 24.556 0.2 . 1 . . . . 177 ARG CG . 16658 1 1090 . 1 1 44 44 ARG N N 15 127.684 0.1 . 1 . . . . 177 ARG N . 16658 1 stop_ save_