data_15651 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15651 _Entry.Title ; NMR structure of the transmembrane domain of the Outer Membrane Protein A from Klebsiella pneumoniae in DHPC micelles. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-02-04 _Entry.Accession_date 2008-02-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Marie Renault . . . 15651 2 Olivier Saurel . . . 15651 3 Virginie Gervais . . . 15651 4 Franck Lohr . . . 15651 5 Valerie Reat . . . 15651 6 Martial Piotto . . . 15651 7 Alain Milon . . . 15651 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15651 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute of Pharmacology and Structural Biology' . 15651 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DHPC micelles' . 15651 'membrane protein' . 15651 OMPA . 15651 Sidechain . 15651 TROSY . 15651 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15651 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 673 15651 '15N chemical shifts' 170 15651 '1H chemical shifts' 359 15651 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 . . 2009-02-20 2008-02-04 update BMRB 'complete entry citation' 15651 1 . . 2008-11-04 2008-02-04 original author 'original release' 15651 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K0L 'BMRB Entry Tracking System' 15651 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15651 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18952100 _Citation.Full_citation . _Citation.Title 'Solution State NMR Structure and Dynamics of KpOmpA, a 210 Residue Transmembrane Domain Possessing a High Potential for Immunological Applications' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 385 _Citation.Journal_issue 1 _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 117 _Citation.Page_last 130 _Citation.Year 2009 _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 Marie Renault . . . 15651 1 2 Olivier Saurel . . . 15651 1 3 Jerzy Czaplicki . . . 15651 1 4 Pascal Demange . . . 15651 1 5 Virginie Gervais . . . 15651 1 6 Frank Lohr . . . 15651 1 7 Valerie Reat . . . 15651 1 8 Martial Piotto . . . 15651 1 9 Alain Milon . . . 15651 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '4D NOESY' 15651 1 CC-TOCSY 15651 1 'conformational exchange' 15651 1 'membrane protein' 15651 1 'methyl protonation' 15651 1 'Outer membrane protein A' 15651 1 'side-chains assignment' 15651 1 TROSY 15651 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15651 _Assembly.ID 1 _Assembly.Name 'KpOmpA transmembrane domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 23367.7 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'KpOmpA transmembrane domain' 1 $KpOmpA_transmembrane_domain A . yes native no no . . . 15651 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KpOmpA_transmembrane_domain _Entity.Sf_category entity _Entity.Sf_framecode KpOmpA_transmembrane_domain _Entity.Entry_ID 15651 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KpOmpA_transmembrane_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ARIMKAIFVLNAAPKDNTWY AGGKLGWSQYHDTGFYGNGF QNNNGPTRNDQLGAGAFGGY QVNPYLGFEMGYDWLGRMAY KGSVDNGAFKAQGVQLTAKL GYPITDDLDIYTRLGGMVWR ADSKGNYASTGVSRSEHDTG VSPVFAGGVEWAVTRDIATR LEYQWVNNIGDAGTVGTRPD NGMLSLGVSYRFGQEDAAPV VAPAPAPAPEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-3 represent a non-native cloning tag and residues 211-216 represent a non-native affinity tag.' _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 216 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'transmembrane domain of KpOmpA' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23367.7 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K0L . "Nmr Structure Of The Transmembrane Domain Of The Outer Membrane Protein A From Klebsiella Pneumoniae In Dhpc Micelles" . . . . . 100.00 216 100.00 100.00 6.02e-156 . . . . 15651 1 2 no DBJ BAH62679 . "outer membrane protein A [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 95.83 356 97.10 97.10 1.82e-143 . . . . 15651 1 3 no EMBL CAA04450 . "outer membrane protein A [Klebsiella pneumoniae]" . . . . . 98.15 344 98.11 98.11 9.38e-149 . . . . 15651 1 4 no EMBL CCI75899 . "ompA [Klebsiella pneumoniae subsp. rhinoscleromatis SB3432]" . . . . . 95.83 379 97.10 97.10 2.93e-143 . . . . 15651 1 5 no EMBL CCM81556 . "Outer membrane protein A precursor [Klebsiella pneumoniae subsp. pneumoniae ST258-K26BO]" . . . . . 95.83 364 97.10 97.10 2.10e-143 . . . . 15651 1 6 no EMBL CCM88663 . "Outer membrane protein A precursor [Klebsiella pneumoniae subsp. pneumoniae ST258-K28BO]" . . . . . 95.83 364 97.10 97.10 2.10e-143 . . . . 15651 1 7 no EMBL CCM94835 . "Outer membrane protein A precursor [Klebsiella pneumoniae subsp. pneumoniae ST512-K30BO]" . . . . . 95.83 364 97.10 97.10 2.10e-143 . . . . 15651 1 8 no GB ABR76422 . "outer membrane protein 3a (II*;G;d) [Klebsiella pneumoniae subsp. pneumoniae MGH 78578]" . . . . . 95.83 356 97.10 97.10 1.82e-143 . . . . 15651 1 9 no GB AEJ97514 . "outer membrane protein A [Klebsiella pneumoniae KCTC 2242]" . . . . . 95.83 356 97.10 97.10 1.82e-143 . . . . 15651 1 10 no GB AEW60563 . "outer membrane protein A [Klebsiella pneumoniae subsp. pneumoniae HS11286]" . . . . . 95.83 364 97.10 97.10 2.10e-143 . . . . 15651 1 11 no GB AFQ66532 . "Outer membrane protein A precursor [Klebsiella pneumoniae subsp. pneumoniae 1084]" . . . . . 95.83 364 97.10 97.10 2.10e-143 . . . . 15651 1 12 no GB AGT24954 . "outer membrane protein A [Klebsiella pneumoniae JM45]" . . . . . 95.83 361 97.10 97.10 1.54e-143 . . . . 15651 1 13 no PIR JC6558 . "outer membrane protein A precursor - Klebsiella pneumoniae" . . . . . 95.83 356 97.10 97.10 1.82e-143 . . . . 15651 1 14 no REF WP_002898408 . "MULTISPECIES: membrane protein [Enterobacteriaceae]" . . . . . 95.83 356 97.10 97.10 1.82e-143 . . . . 15651 1 15 no REF WP_004201430 . "MULTISPECIES: outer membrane protein A [Klebsiella]" . . . . . 95.83 356 97.10 97.10 1.80e-143 . . . . 15651 1 16 no REF WP_004219211 . "membrane protein [Klebsiella pneumoniae]" . . . . . 95.83 364 97.10 97.10 2.10e-143 . . . . 15651 1 17 no REF WP_016529119 . "outer membrane protein A [Klebsiella pneumoniae]" . . . . . 95.83 356 97.10 97.10 1.50e-143 . . . . 15651 1 18 no REF WP_032432880 . "membrane protein [Klebsiella pneumoniae]" . . . . . 93.06 358 99.00 99.00 7.06e-142 . . . . 15651 1 19 no SP P24017 . "RecName: Full=Outer membrane protein A; AltName: Full=Outer membrane protein II; Flags: Precursor" . . . . . 98.15 344 98.11 98.11 9.38e-149 . . . . 15651 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'bacterial conjugation' 15651 1 'Porin with low permeability' 15651 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID . abbreviation 15651 1 . common 15651 1 . variant 15651 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 . ALA . 15651 1 2 . ARG . 15651 1 3 . ILE . 15651 1 4 . MET . 15651 1 5 . LYS . 15651 1 6 . ALA . 15651 1 7 . ILE . 15651 1 8 . PHE . 15651 1 9 . VAL . 15651 1 10 . LEU . 15651 1 11 . ASN . 15651 1 12 . ALA . 15651 1 13 . ALA . 15651 1 14 . PRO . 15651 1 15 . LYS . 15651 1 16 . ASP . 15651 1 17 . ASN . 15651 1 18 . THR . 15651 1 19 . TRP . 15651 1 20 . TYR . 15651 1 21 . ALA . 15651 1 22 . GLY . 15651 1 23 . GLY . 15651 1 24 . LYS . 15651 1 25 . LEU . 15651 1 26 . GLY . 15651 1 27 . TRP . 15651 1 28 . SER . 15651 1 29 . GLN . 15651 1 30 . TYR . 15651 1 31 . HIS . 15651 1 32 . ASP . 15651 1 33 . THR . 15651 1 34 . GLY . 15651 1 35 . PHE . 15651 1 36 . TYR . 15651 1 37 . GLY . 15651 1 38 . ASN . 15651 1 39 . GLY . 15651 1 40 . PHE . 15651 1 41 . GLN . 15651 1 42 . ASN . 15651 1 43 . ASN . 15651 1 44 . ASN . 15651 1 45 . GLY . 15651 1 46 . PRO . 15651 1 47 . THR . 15651 1 48 . ARG . 15651 1 49 . ASN . 15651 1 50 . ASP . 15651 1 51 . GLN . 15651 1 52 . LEU . 15651 1 53 . GLY . 15651 1 54 . ALA . 15651 1 55 . GLY . 15651 1 56 . ALA . 15651 1 57 . PHE . 15651 1 58 . GLY . 15651 1 59 . GLY . 15651 1 60 . TYR . 15651 1 61 . GLN . 15651 1 62 . VAL . 15651 1 63 . ASN . 15651 1 64 . PRO . 15651 1 65 . TYR . 15651 1 66 . LEU . 15651 1 67 . GLY . 15651 1 68 . PHE . 15651 1 69 . GLU . 15651 1 70 . MET . 15651 1 71 . GLY . 15651 1 72 . TYR . 15651 1 73 . ASP . 15651 1 74 . TRP . 15651 1 75 . LEU . 15651 1 76 . GLY . 15651 1 77 . ARG . 15651 1 78 . MET . 15651 1 79 . ALA . 15651 1 80 . TYR . 15651 1 81 . LYS . 15651 1 82 . GLY . 15651 1 83 . SER . 15651 1 84 . VAL . 15651 1 85 . ASP . 15651 1 86 . ASN . 15651 1 87 . GLY . 15651 1 88 . ALA . 15651 1 89 . PHE . 15651 1 90 . LYS . 15651 1 91 . ALA . 15651 1 92 . GLN . 15651 1 93 . GLY . 15651 1 94 . VAL . 15651 1 95 . GLN . 15651 1 96 . LEU . 15651 1 97 . THR . 15651 1 98 . ALA . 15651 1 99 . LYS . 15651 1 100 . LEU . 15651 1 101 . GLY . 15651 1 102 . TYR . 15651 1 103 . PRO . 15651 1 104 . ILE . 15651 1 105 . THR . 15651 1 106 . ASP . 15651 1 107 . ASP . 15651 1 108 . LEU . 15651 1 109 . ASP . 15651 1 110 . ILE . 15651 1 111 . TYR . 15651 1 112 . THR . 15651 1 113 . ARG . 15651 1 114 . LEU . 15651 1 115 . GLY . 15651 1 116 . GLY . 15651 1 117 . MET . 15651 1 118 . VAL . 15651 1 119 . TRP . 15651 1 120 . ARG . 15651 1 121 . ALA . 15651 1 122 . ASP . 15651 1 123 . SER . 15651 1 124 . LYS . 15651 1 125 . GLY . 15651 1 126 . ASN . 15651 1 127 . TYR . 15651 1 128 . ALA . 15651 1 129 . SER . 15651 1 130 . THR . 15651 1 131 . GLY . 15651 1 132 . VAL . 15651 1 133 . SER . 15651 1 134 . ARG . 15651 1 135 . SER . 15651 1 136 . GLU . 15651 1 137 . HIS . 15651 1 138 . ASP . 15651 1 139 . THR . 15651 1 140 . GLY . 15651 1 141 . VAL . 15651 1 142 . SER . 15651 1 143 . PRO . 15651 1 144 . VAL . 15651 1 145 . PHE . 15651 1 146 . ALA . 15651 1 147 . GLY . 15651 1 148 . GLY . 15651 1 149 . VAL . 15651 1 150 . GLU . 15651 1 151 . TRP . 15651 1 152 . ALA . 15651 1 153 . VAL . 15651 1 154 . THR . 15651 1 155 . ARG . 15651 1 156 . ASP . 15651 1 157 . ILE . 15651 1 158 . ALA . 15651 1 159 . THR . 15651 1 160 . ARG . 15651 1 161 . LEU . 15651 1 162 . GLU . 15651 1 163 . TYR . 15651 1 164 . GLN . 15651 1 165 . TRP . 15651 1 166 . VAL . 15651 1 167 . ASN . 15651 1 168 . ASN . 15651 1 169 . ILE . 15651 1 170 . GLY . 15651 1 171 . ASP . 15651 1 172 . ALA . 15651 1 173 . GLY . 15651 1 174 . THR . 15651 1 175 . VAL . 15651 1 176 . GLY . 15651 1 177 . THR . 15651 1 178 . ARG . 15651 1 179 . PRO . 15651 1 180 . ASP . 15651 1 181 . ASN . 15651 1 182 . GLY . 15651 1 183 . MET . 15651 1 184 . LEU . 15651 1 185 . SER . 15651 1 186 . LEU . 15651 1 187 . GLY . 15651 1 188 . VAL . 15651 1 189 . SER . 15651 1 190 . TYR . 15651 1 191 . ARG . 15651 1 192 . PHE . 15651 1 193 . GLY . 15651 1 194 . GLN . 15651 1 195 . GLU . 15651 1 196 . ASP . 15651 1 197 . ALA . 15651 1 198 . ALA . 15651 1 199 . PRO . 15651 1 200 . VAL . 15651 1 201 . VAL . 15651 1 202 . ALA . 15651 1 203 . PRO . 15651 1 204 . ALA . 15651 1 205 . PRO . 15651 1 206 . ALA . 15651 1 207 . PRO . 15651 1 208 . ALA . 15651 1 209 . PRO . 15651 1 210 . GLU . 15651 1 211 . HIS . 15651 1 212 . HIS . 15651 1 213 . HIS . 15651 1 214 . HIS . 15651 1 215 . HIS . 15651 1 216 . HIS . 15651 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 . ALA 1 1 15651 1 . ARG 2 2 15651 1 . ILE 3 3 15651 1 . MET 4 4 15651 1 . LYS 5 5 15651 1 . ALA 6 6 15651 1 . ILE 7 7 15651 1 . PHE 8 8 15651 1 . VAL 9 9 15651 1 . LEU 10 10 15651 1 . ASN 11 11 15651 1 . ALA 12 12 15651 1 . ALA 13 13 15651 1 . PRO 14 14 15651 1 . LYS 15 15 15651 1 . ASP 16 16 15651 1 . ASN 17 17 15651 1 . THR 18 18 15651 1 . TRP 19 19 15651 1 . TYR 20 20 15651 1 . ALA 21 21 15651 1 . GLY 22 22 15651 1 . GLY 23 23 15651 1 . LYS 24 24 15651 1 . LEU 25 25 15651 1 . GLY 26 26 15651 1 . TRP 27 27 15651 1 . SER 28 28 15651 1 . GLN 29 29 15651 1 . TYR 30 30 15651 1 . HIS 31 31 15651 1 . ASP 32 32 15651 1 . THR 33 33 15651 1 . GLY 34 34 15651 1 . PHE 35 35 15651 1 . TYR 36 36 15651 1 . GLY 37 37 15651 1 . ASN 38 38 15651 1 . GLY 39 39 15651 1 . PHE 40 40 15651 1 . GLN 41 41 15651 1 . ASN 42 42 15651 1 . ASN 43 43 15651 1 . ASN 44 44 15651 1 . GLY 45 45 15651 1 . PRO 46 46 15651 1 . THR 47 47 15651 1 . ARG 48 48 15651 1 . ASN 49 49 15651 1 . ASP 50 50 15651 1 . GLN 51 51 15651 1 . LEU 52 52 15651 1 . GLY 53 53 15651 1 . ALA 54 54 15651 1 . GLY 55 55 15651 1 . ALA 56 56 15651 1 . PHE 57 57 15651 1 . GLY 58 58 15651 1 . GLY 59 59 15651 1 . TYR 60 60 15651 1 . GLN 61 61 15651 1 . VAL 62 62 15651 1 . ASN 63 63 15651 1 . PRO 64 64 15651 1 . TYR 65 65 15651 1 . LEU 66 66 15651 1 . GLY 67 67 15651 1 . PHE 68 68 15651 1 . GLU 69 69 15651 1 . MET 70 70 15651 1 . GLY 71 71 15651 1 . TYR 72 72 15651 1 . ASP 73 73 15651 1 . TRP 74 74 15651 1 . LEU 75 75 15651 1 . GLY 76 76 15651 1 . ARG 77 77 15651 1 . MET 78 78 15651 1 . ALA 79 79 15651 1 . TYR 80 80 15651 1 . LYS 81 81 15651 1 . GLY 82 82 15651 1 . SER 83 83 15651 1 . VAL 84 84 15651 1 . ASP 85 85 15651 1 . ASN 86 86 15651 1 . GLY 87 87 15651 1 . ALA 88 88 15651 1 . PHE 89 89 15651 1 . LYS 90 90 15651 1 . ALA 91 91 15651 1 . GLN 92 92 15651 1 . GLY 93 93 15651 1 . VAL 94 94 15651 1 . GLN 95 95 15651 1 . LEU 96 96 15651 1 . THR 97 97 15651 1 . ALA 98 98 15651 1 . LYS 99 99 15651 1 . LEU 100 100 15651 1 . GLY 101 101 15651 1 . TYR 102 102 15651 1 . PRO 103 103 15651 1 . ILE 104 104 15651 1 . THR 105 105 15651 1 . ASP 106 106 15651 1 . ASP 107 107 15651 1 . LEU 108 108 15651 1 . ASP 109 109 15651 1 . ILE 110 110 15651 1 . TYR 111 111 15651 1 . THR 112 112 15651 1 . ARG 113 113 15651 1 . LEU 114 114 15651 1 . GLY 115 115 15651 1 . GLY 116 116 15651 1 . MET 117 117 15651 1 . VAL 118 118 15651 1 . TRP 119 119 15651 1 . ARG 120 120 15651 1 . ALA 121 121 15651 1 . ASP 122 122 15651 1 . SER 123 123 15651 1 . LYS 124 124 15651 1 . GLY 125 125 15651 1 . ASN 126 126 15651 1 . TYR 127 127 15651 1 . ALA 128 128 15651 1 . SER 129 129 15651 1 . THR 130 130 15651 1 . GLY 131 131 15651 1 . VAL 132 132 15651 1 . SER 133 133 15651 1 . ARG 134 134 15651 1 . SER 135 135 15651 1 . GLU 136 136 15651 1 . HIS 137 137 15651 1 . ASP 138 138 15651 1 . THR 139 139 15651 1 . GLY 140 140 15651 1 . VAL 141 141 15651 1 . SER 142 142 15651 1 . PRO 143 143 15651 1 . VAL 144 144 15651 1 . PHE 145 145 15651 1 . ALA 146 146 15651 1 . GLY 147 147 15651 1 . GLY 148 148 15651 1 . VAL 149 149 15651 1 . GLU 150 150 15651 1 . TRP 151 151 15651 1 . ALA 152 152 15651 1 . VAL 153 153 15651 1 . THR 154 154 15651 1 . ARG 155 155 15651 1 . ASP 156 156 15651 1 . ILE 157 157 15651 1 . ALA 158 158 15651 1 . THR 159 159 15651 1 . ARG 160 160 15651 1 . LEU 161 161 15651 1 . GLU 162 162 15651 1 . TYR 163 163 15651 1 . GLN 164 164 15651 1 . TRP 165 165 15651 1 . VAL 166 166 15651 1 . ASN 167 167 15651 1 . ASN 168 168 15651 1 . ILE 169 169 15651 1 . GLY 170 170 15651 1 . ASP 171 171 15651 1 . ALA 172 172 15651 1 . GLY 173 173 15651 1 . THR 174 174 15651 1 . VAL 175 175 15651 1 . GLY 176 176 15651 1 . THR 177 177 15651 1 . ARG 178 178 15651 1 . PRO 179 179 15651 1 . ASP 180 180 15651 1 . ASN 181 181 15651 1 . GLY 182 182 15651 1 . MET 183 183 15651 1 . LEU 184 184 15651 1 . SER 185 185 15651 1 . LEU 186 186 15651 1 . GLY 187 187 15651 1 . VAL 188 188 15651 1 . SER 189 189 15651 1 . TYR 190 190 15651 1 . ARG 191 191 15651 1 . PHE 192 192 15651 1 . GLY 193 193 15651 1 . GLN 194 194 15651 1 . GLU 195 195 15651 1 . ASP 196 196 15651 1 . ALA 197 197 15651 1 . ALA 198 198 15651 1 . PRO 199 199 15651 1 . VAL 200 200 15651 1 . VAL 201 201 15651 1 . ALA 202 202 15651 1 . PRO 203 203 15651 1 . ALA 204 204 15651 1 . PRO 205 205 15651 1 . ALA 206 206 15651 1 . PRO 207 207 15651 1 . ALA 208 208 15651 1 . PRO 209 209 15651 1 . GLU 210 210 15651 1 . HIS 211 211 15651 1 . HIS 212 212 15651 1 . HIS 213 213 15651 1 . HIS 214 214 15651 1 . HIS 215 215 15651 1 . HIS 216 216 15651 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15651 _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 $KpOmpA_transmembrane_domain . 573 organism . 'Klebsiella pneumoniae' 'Klebsiella pneumoniae' . . Bacteria . Klebsiella pneumoniae 'RV 308' . . . . . . . . . . . . . . . . . . . . 15651 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 15651 _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 $KpOmpA_transmembrane_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . . . . . . . . . . . pET21c-KpOmpA . . . 'protein expressed in inclusion bodies.' . . 15651 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15651 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '1mM protein, 300 mM DHPC, 20 mM NaH2PO4, 100 mM NaCl.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KpOmpA transmembrane domain' '[U-13C; U-15N; U-2H]' . . 1 $KpOmpA_transmembrane_domain . . 1 . . mM . . . . 15651 1 2 DHPC . . . . . . . 300 . . mM . . . . 15651 1 3 NaH2PO4 . . . . . . . 20 . . mM . . . . 15651 1 4 NaCl . . . . . . . 100 . . mM . . . . 15651 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15651 1 6 D2O . . . . . . . 10 . . % . . . . 15651 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15651 _Sample.ID 2 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '1mM protein, 300 mM DHPC, 20 mM NaH2PO4, 100 mM NaCl.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KpOmpA transmembrane domain' '[U-13C; U-15N; U-2H]/[L,V,I(delta1)-13CH3]' . . 1 $KpOmpA_transmembrane_domain . . 1 . . mM . . . . 15651 2 2 DHPC . . . . . . . 300 . . mM . . . . 15651 2 3 NaH2PO4 . . . . . . . 20 . . mM . . . . 15651 2 4 NaCl . . . . . . . 100 . . mM . . . . 15651 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15651 2 6 D2O . . . . . . . 10 . . % . . . . 15651 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15651 _Sample.ID 3 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '1mM protein, 300 mM DHPC(d22), 20 mM NaH2PO4, 100 mM NaCl.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KpOmpA transmembrane domain' '[U-15N; 10% 13C]' . . 1 $KpOmpA_transmembrane_domain . . 1 . . mM . . . . 15651 3 2 DHPC . . . . . . . 300 . . mM . . . . 15651 3 3 NaH2PO4 . . . . . . . 20 . . mM . . . . 15651 3 4 NaCl . . . . . . . 100 . . mM . . . . 15651 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15651 3 6 D2O . . . . . . . 10 . . % . . . . 15651 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15651 _Sample.ID 4 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '1mM protein, 300 mM DHPC(d22), 20 mM NaH2PO4, 100 mM NaCl.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KpOmpA transmembrane domain' '[U-13C; U-15N; U-2H]/[L,V,I(delta1)-13CH3]' . . 1 $KpOmpA_transmembrane_domain . . 1 . . mM . . . . 15651 4 2 DHPC . . . . . . . 300 . . mM . . . . 15651 4 3 NaH2PO4 . . . . . . . 20 . . mM . . . . 15651 4 4 NaCl . . . . . . . 100 . . mM . . . . 15651 4 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15651 4 6 D2O . . . . . . . 10 . . % . . . . 15651 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 15651 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 15651 1 pH 6.5 . pH 15651 1 pressure 1 . atm 15651 1 temperature 313 . K 15651 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15651 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15651 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15651 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15651 _Software.ID 2 _Software.Name NMRView _Software.Version v5.2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15651 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15651 2 'data analysis' 15651 2 'peak picking' 15651 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15651 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15651 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15651 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'Three radio-frequency 1H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance probe, z-gradient coil.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15651 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 15651 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details 'Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15651 _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 . 900 'Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.' . . 15651 1 2 spectrometer_2 Bruker Avance . 800 'Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.' . . 15651 1 3 spectrometer_3 Bruker Avance . 700 'Three radio-frequency 1H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance probe, z-gradient coil.' . . 15651 1 4 spectrometer_4 Bruker Avance . 600 'Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.' . . 15651 1 5 spectrometer_5 Bruker Avance . 500 'Four radio-frequency 1H, 2H, 13C, 15N channels, 1H-{13C, 15N}-triple resonance cryoprobe, z-gradient coil.' . . 15651 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 15651 _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 [15N,1H]-TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15651 1 2 '3D [15N,1H]-TROSY-HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15651 1 3 '3D [15N,1H]-TROSY-HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15651 1 4 '3D [15N,1H]-TROSY-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15651 1 5 '3D [15N,1H]-TROSY-HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15651 1 6 '3D (HNCA)CC-TOCSY-(CA)-[15N,1H]-TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15651 1 7 '3D (H)C(CC)-TOCSY-(CA)-[15N,1H]-TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15651 1 8 '3D H(CCCO)-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 15651 1 9 '2D [1H,13C]-CT-HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15651 1 10 '4D 15N,15N-separated HMQC-NOESY-TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15651 1 11 '3D 15N,13C-separated HMQC-NOESY-TROSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15651 1 12 '3D 13C,13C-separated HMQC-NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15651 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 15651 _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 . indirect 0.251449530 . . . . . . . . . 15651 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15651 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15651 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_Assignment_KpOmpA _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assignment_KpOmpA _Assigned_chem_shift_list.Entry_ID 15651 _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 [15N,1H]-TROSY' . . . 15651 1 2 '3D [15N,1H]-TROSY-HNCACB' . . . 15651 1 3 '3D [15N,1H]-TROSY-HN(CO)CACB' . . . 15651 1 4 '3D [15N,1H]-TROSY-HNCO' . . . 15651 1 5 '3D [15N,1H]-TROSY-HN(CA)CO' . . . 15651 1 6 '3D (HNCA)CC-TOCSY-(CA)-[15N,1H]-TROSY' . . . 15651 1 7 '3D (H)C(CC)-TOCSY-(CA)-[15N,1H]-TROSY' . . . 15651 1 8 '3D H(CCCO)-TOCSY' . . . 15651 1 9 '2D [1H,13C]-CT-HSQC' . . . 15651 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 'TROSY offset' 'amide protons' 1 0.05 . 15651 1 'TROSY offset' 'amide nitrogens' 15 -0.49 . 15651 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 $NMRView . . 15651 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ARG C C 13 175.857 . . 1 . . . . 2 ARG C . 15651 1 2 . 1 1 2 2 ARG CA C 13 55.872 . . 1 . . . . 2 ARG CA . 15651 1 3 . 1 1 2 2 ARG CB C 13 29.983 . . 1 . . . . 2 ARG CB . 15651 1 4 . 1 1 2 2 ARG CD C 13 42.767 . . 1 . . . . 2 ARG CD . 15651 1 5 . 1 1 3 3 ILE H H 1 8.238 . . 1 . . . . 3 ILE HN . 15651 1 6 . 1 1 3 3 ILE HD11 H 1 0.939 . . 1 . . . . 3 ILE HD11 . 15651 1 7 . 1 1 3 3 ILE HD12 H 1 0.939 . . 1 . . . . 3 ILE HD11 . 15651 1 8 . 1 1 3 3 ILE HD13 H 1 0.939 . . 1 . . . . 3 ILE HD11 . 15651 1 9 . 1 1 3 3 ILE C C 13 175.763 . . 1 . . . . 3 ILE C . 15651 1 10 . 1 1 3 3 ILE CA C 13 60.779 . . 1 . . . . 3 ILE CA . 15651 1 11 . 1 1 3 3 ILE CB C 13 37.664 . . 1 . . . . 3 ILE CB . 15651 1 12 . 1 1 3 3 ILE CD1 C 13 11.670 . . 1 . . . . 3 ILE CD1 . 15651 1 13 . 1 1 3 3 ILE CG1 C 13 26.012 . . 1 . . . . 3 ILE CG1 . 15651 1 14 . 1 1 3 3 ILE CG2 C 13 16.537 . . 1 . . . . 3 ILE CG2 . 15651 1 15 . 1 1 3 3 ILE N N 15 122.580 . . 1 . . . . 3 ILE N . 15651 1 16 . 1 1 4 4 MET H H 1 8.261 . . 1 . . . . 4 MET HN . 15651 1 17 . 1 1 4 4 MET C C 13 175.660 . . 1 . . . . 4 MET C . 15651 1 18 . 1 1 4 4 MET CA C 13 54.893 . . 1 . . . . 4 MET CA . 15651 1 19 . 1 1 4 4 MET CB C 13 32.060 . . 1 . . . . 4 MET CB . 15651 1 20 . 1 1 4 4 MET CE C 13 18.007 . . 1 . . . . 4 MET CE . 15651 1 21 . 1 1 4 4 MET CG C 13 31.173 . . 1 . . . . 4 MET CG . 15651 1 22 . 1 1 4 4 MET N N 15 123.988 . . 1 . . . . 4 MET N . 15651 1 23 . 1 1 5 5 LYS H H 1 8.041 . . 1 . . . . 5 LYS HN . 15651 1 24 . 1 1 5 5 LYS C C 13 175.850 . . 1 . . . . 5 LYS C . 15651 1 25 . 1 1 5 5 LYS CA C 13 56.081 . . 1 . . . . 5 LYS CA . 15651 1 26 . 1 1 5 5 LYS CB C 13 32.220 . . 1 . . . . 5 LYS CB . 15651 1 27 . 1 1 5 5 LYS CE C 13 43.479 . . 1 . . . . 5 LYS CE . 15651 1 28 . 1 1 5 5 LYS CG C 13 23.586 . . 1 . . . . 5 LYS CG . 15651 1 29 . 1 1 5 5 LYS N N 15 122.015 . . 1 . . . . 5 LYS N . 15651 1 30 . 1 1 6 6 ALA H H 1 8.042 . . 1 . . . . 6 ALA HN . 15651 1 31 . 1 1 6 6 ALA HB1 H 1 1.413 . . 1 . . . . 6 ALA HB1 . 15651 1 32 . 1 1 6 6 ALA HB2 H 1 1.413 . . 1 . . . . 6 ALA HB1 . 15651 1 33 . 1 1 6 6 ALA HB3 H 1 1.413 . . 1 . . . . 6 ALA HB1 . 15651 1 34 . 1 1 6 6 ALA C C 13 177.160 . . 1 . . . . 6 ALA C . 15651 1 35 . 1 1 6 6 ALA CA C 13 52.109 . . 1 . . . . 6 ALA CA . 15651 1 36 . 1 1 6 6 ALA CB C 13 18.637 . . 1 . . . . 6 ALA CB . 15651 1 37 . 1 1 6 6 ALA N N 15 123.943 . . 1 . . . . 6 ALA N . 15651 1 38 . 1 1 7 7 ILE H H 1 7.916 . . 1 . . . . 7 ILE HN . 15651 1 39 . 1 1 7 7 ILE HD11 H 1 0.870 . . 1 . . . . 7 ILE HD11 . 15651 1 40 . 1 1 7 7 ILE HD12 H 1 0.870 . . 1 . . . . 7 ILE HD11 . 15651 1 41 . 1 1 7 7 ILE HD13 H 1 0.870 . . 1 . . . . 7 ILE HD11 . 15651 1 42 . 1 1 7 7 ILE C C 13 175.611 . . 1 . . . . 7 ILE C . 15651 1 43 . 1 1 7 7 ILE CA C 13 61.181 . . 1 . . . . 7 ILE CA . 15651 1 44 . 1 1 7 7 ILE CB C 13 37.910 . . 1 . . . . 7 ILE CB . 15651 1 45 . 1 1 7 7 ILE CD1 C 13 12.116 . . 1 . . . . 7 ILE CD1 . 15651 1 46 . 1 1 7 7 ILE CG1 C 13 26.000 . . 1 . . . . 7 ILE CG1 . 15651 1 47 . 1 1 7 7 ILE CG2 C 13 16.453 . . 1 . . . . 7 ILE CG2 . 15651 1 48 . 1 1 7 7 ILE N N 15 118.380 . . 1 . . . . 7 ILE N . 15651 1 49 . 1 1 8 8 PHE H H 1 8.167 . . 1 . . . . 8 PHE HN . 15651 1 50 . 1 1 8 8 PHE C C 13 175.363 . . 1 . . . . 8 PHE C . 15651 1 51 . 1 1 8 8 PHE CA C 13 57.286 . . 1 . . . . 8 PHE CA . 15651 1 52 . 1 1 8 8 PHE CB C 13 39.008 . . 1 . . . . 8 PHE CB . 15651 1 53 . 1 1 8 8 PHE N N 15 121.971 . . 1 . . . . 8 PHE N . 15651 1 54 . 1 1 9 9 VAL H H 1 7.872 . . 1 . . . . 9 VAL HN . 15651 1 55 . 1 1 9 9 VAL HG11 H 1 0.962 . . 1 . . . . 9 VAL HG11 . 15651 1 56 . 1 1 9 9 VAL HG12 H 1 0.962 . . 1 . . . . 9 VAL HG11 . 15651 1 57 . 1 1 9 9 VAL HG13 H 1 0.962 . . 1 . . . . 9 VAL HG11 . 15651 1 58 . 1 1 9 9 VAL HG21 H 1 0.972 . . 1 . . . . 9 VAL HG21 . 15651 1 59 . 1 1 9 9 VAL HG22 H 1 0.972 . . 1 . . . . 9 VAL HG21 . 15651 1 60 . 1 1 9 9 VAL HG23 H 1 0.972 . . 1 . . . . 9 VAL HG21 . 15651 1 61 . 1 1 9 9 VAL C C 13 175.405 . . 1 . . . . 9 VAL C . 15651 1 62 . 1 1 9 9 VAL CA C 13 61.662 . . 1 . . . . 9 VAL CA . 15651 1 63 . 1 1 9 9 VAL CB C 13 32.026 . . 1 . . . . 9 VAL CB . 15651 1 64 . 1 1 9 9 VAL CG1 C 13 20.096 . . 1 . . . . 9 VAL CG1 . 15651 1 65 . 1 1 9 9 VAL CG2 C 13 19.624 . . 1 . . . . 9 VAL CG2 . 15651 1 66 . 1 1 9 9 VAL N N 15 120.864 . . 1 . . . . 9 VAL N . 15651 1 67 . 1 1 10 10 LEU H H 1 8.077 . . 1 . . . . 10 LEU HN . 15651 1 68 . 1 1 10 10 LEU HD11 H 1 1.007 . . 1 . . . . 10 LEU HD11 . 15651 1 69 . 1 1 10 10 LEU HD12 H 1 1.007 . . 1 . . . . 10 LEU HD11 . 15651 1 70 . 1 1 10 10 LEU HD13 H 1 1.007 . . 1 . . . . 10 LEU HD11 . 15651 1 71 . 1 1 10 10 LEU HD21 H 1 0.956 . . 1 . . . . 10 LEU HD21 . 15651 1 72 . 1 1 10 10 LEU HD22 H 1 0.956 . . 1 . . . . 10 LEU HD21 . 15651 1 73 . 1 1 10 10 LEU HD23 H 1 0.956 . . 1 . . . . 10 LEU HD21 . 15651 1 74 . 1 1 10 10 LEU C C 13 176.652 . . 1 . . . . 10 LEU C . 15651 1 75 . 1 1 10 10 LEU CA C 13 54.856 . . 1 . . . . 10 LEU CA . 15651 1 76 . 1 1 10 10 LEU CB C 13 41.401 . . 1 . . . . 10 LEU CB . 15651 1 77 . 1 1 10 10 LEU CD1 C 13 23.644 . . 1 . . . . 10 LEU CD1 . 15651 1 78 . 1 1 10 10 LEU CD2 C 13 22.560 . . 1 . . . . 10 LEU CD2 . 15651 1 79 . 1 1 10 10 LEU CG C 13 25.955 . . 1 . . . . 10 LEU CG . 15651 1 80 . 1 1 10 10 LEU N N 15 124.826 . . 1 . . . . 10 LEU N . 15651 1 81 . 1 1 11 11 ASN H H 1 8.177 . . 1 . . . . 11 ASN HN . 15651 1 82 . 1 1 11 11 ASN C C 13 174.394 . . 1 . . . . 11 ASN C . 15651 1 83 . 1 1 11 11 ASN CA C 13 52.704 . . 1 . . . . 11 ASN CA . 15651 1 84 . 1 1 11 11 ASN CB C 13 38.468 . . 1 . . . . 11 ASN CB . 15651 1 85 . 1 1 11 11 ASN N N 15 119.029 . . 1 . . . . 11 ASN N . 15651 1 86 . 1 1 12 12 ALA H H 1 7.991 . . 1 . . . . 12 ALA HN . 15651 1 87 . 1 1 12 12 ALA HB1 H 1 1.392 . . 1 . . . . 12 ALA HB1 . 15651 1 88 . 1 1 12 12 ALA HB2 H 1 1.392 . . 1 . . . . 12 ALA HB1 . 15651 1 89 . 1 1 12 12 ALA HB3 H 1 1.392 . . 1 . . . . 12 ALA HB1 . 15651 1 90 . 1 1 12 12 ALA C C 13 176.649 . . 1 . . . . 12 ALA C . 15651 1 91 . 1 1 12 12 ALA CA C 13 51.950 . . 1 . . . . 12 ALA CA . 15651 1 92 . 1 1 12 12 ALA CB C 13 18.659 . . 1 . . . . 12 ALA CB . 15651 1 93 . 1 1 12 12 ALA N N 15 123.695 . . 1 . . . . 12 ALA N . 15651 1 94 . 1 1 13 13 ALA H H 1 8.083 . . 1 . . . . 13 ALA HN . 15651 1 95 . 1 1 13 13 ALA C C 13 175.395 . . 1 . . . . 13 ALA C . 15651 1 96 . 1 1 13 13 ALA CA C 13 49.797 . . 1 . . . . 13 ALA CA . 15651 1 97 . 1 1 13 13 ALA CB C 13 17.486 . . 1 . . . . 13 ALA CB . 15651 1 98 . 1 1 13 13 ALA N N 15 124.281 . . 1 . . . . 13 ALA N . 15651 1 99 . 1 1 14 14 PRO C C 13 176.641 . . 1 . . . . 14 PRO C . 15651 1 100 . 1 1 14 14 PRO CA C 13 62.675 . . 1 . . . . 14 PRO CA . 15651 1 101 . 1 1 14 14 PRO CB C 13 31.000 . . 1 . . . . 14 PRO CB . 15651 1 102 . 1 1 14 14 PRO CG C 13 26.390 . . 1 . . . . 14 PRO CG . 15651 1 103 . 1 1 15 15 LYS H H 1 8.283 . . 1 . . . . 15 LYS HN . 15651 1 104 . 1 1 15 15 LYS C C 13 175.683 . . 1 . . . . 15 LYS C . 15651 1 105 . 1 1 15 15 LYS CA C 13 55.429 . . 1 . . . . 15 LYS CA . 15651 1 106 . 1 1 15 15 LYS CB C 13 32.246 . . 1 . . . . 15 LYS CB . 15651 1 107 . 1 1 15 15 LYS CD C 13 28.130 . . 1 . . . . 15 LYS CD . 15651 1 108 . 1 1 15 15 LYS CG C 13 23.528 . . 1 . . . . 15 LYS CG . 15651 1 109 . 1 1 15 15 LYS N N 15 119.069 . . 1 . . . . 15 LYS N . 15651 1 110 . 1 1 16 16 ASP H H 1 7.880 . . 1 . . . . 16 ASP HN . 15651 1 111 . 1 1 16 16 ASP C C 13 175.419 . . 1 . . . . 16 ASP C . 15651 1 112 . 1 1 16 16 ASP CA C 13 54.413 . . 1 . . . . 16 ASP CA . 15651 1 113 . 1 1 16 16 ASP CB C 13 40.224 . . 1 . . . . 16 ASP CB . 15651 1 114 . 1 1 16 16 ASP N N 15 119.625 . . 1 . . . . 16 ASP N . 15651 1 115 . 1 1 17 17 ASN H H 1 7.973 . . 1 . . . . 17 ASN HN . 15651 1 116 . 1 1 17 17 ASN C C 13 174.231 . . 1 . . . . 17 ASN C . 15651 1 117 . 1 1 17 17 ASN CA C 13 53.948 . . 1 . . . . 17 ASN CA . 15651 1 118 . 1 1 17 17 ASN CB C 13 37.009 . . 1 . . . . 17 ASN CB . 15651 1 119 . 1 1 17 17 ASN N N 15 118.063 . . 1 . . . . 17 ASN N . 15651 1 120 . 1 1 18 18 THR H H 1 7.318 . . 1 . . . . 18 THR HN . 15651 1 121 . 1 1 18 18 THR C C 13 172.323 . . 1 . . . . 18 THR C . 15651 1 122 . 1 1 18 18 THR CA C 13 60.153 . . 1 . . . . 18 THR CA . 15651 1 123 . 1 1 18 18 THR CB C 13 71.534 . . 1 . . . . 18 THR CB . 15651 1 124 . 1 1 18 18 THR CG2 C 13 20.735 . . 1 . . . . 18 THR CG2 . 15651 1 125 . 1 1 18 18 THR N N 15 109.092 . . 1 . . . . 18 THR N . 15651 1 126 . 1 1 19 19 TRP H H 1 8.541 . . 1 . . . . 19 TRP HN . 15651 1 127 . 1 1 19 19 TRP C C 13 175.969 . . 1 . . . . 19 TRP C . 15651 1 128 . 1 1 19 19 TRP CA C 13 55.700 . . 1 . . . . 19 TRP CA . 15651 1 129 . 1 1 19 19 TRP CB C 13 31.471 . . 1 . . . . 19 TRP CB . 15651 1 130 . 1 1 19 19 TRP N N 15 121.992 . . 1 . . . . 19 TRP N . 15651 1 131 . 1 1 20 20 TYR H H 1 8.691 . . 1 . . . . 20 TYR HN . 15651 1 132 . 1 1 20 20 TYR C C 13 173.684 . . 1 . . . . 20 TYR C . 15651 1 133 . 1 1 20 20 TYR CA C 13 55.805 . . 1 . . . . 20 TYR CA . 15651 1 134 . 1 1 20 20 TYR CB C 13 40.513 . . 1 . . . . 20 TYR CB . 15651 1 135 . 1 1 20 20 TYR N N 15 116.519 . . 1 . . . . 20 TYR N . 15651 1 136 . 1 1 21 21 ALA H H 1 8.876 . . 1 . . . . 21 ALA HN . 15651 1 137 . 1 1 21 21 ALA C C 13 175.395 . . 1 . . . . 21 ALA C . 15651 1 138 . 1 1 21 21 ALA CA C 13 50.970 . . 1 . . . . 21 ALA CA . 15651 1 139 . 1 1 21 21 ALA CB C 13 22.142 . . 1 . . . . 21 ALA CB . 15651 1 140 . 1 1 21 21 ALA N N 15 119.359 . . 1 . . . . 21 ALA N . 15651 1 141 . 1 1 22 22 GLY H H 1 8.613 . . 1 . . . . 22 GLY HN . 15651 1 142 . 1 1 22 22 GLY C C 13 171.458 . . 1 . . . . 22 GLY C . 15651 1 143 . 1 1 22 22 GLY CA C 13 45.608 . . 1 . . . . 22 GLY CA . 15651 1 144 . 1 1 22 22 GLY N N 15 106.678 . . 1 . . . . 22 GLY N . 15651 1 145 . 1 1 23 23 GLY H H 1 7.911 . . 1 . . . . 23 GLY HN . 15651 1 146 . 1 1 23 23 GLY C C 13 170.563 . . 1 . . . . 23 GLY C . 15651 1 147 . 1 1 23 23 GLY CA C 13 44.026 . . 1 . . . . 23 GLY CA . 15651 1 148 . 1 1 23 23 GLY N N 15 103.399 . . 1 . . . . 23 GLY N . 15651 1 149 . 1 1 24 24 LYS H H 1 9.001 . . 1 . . . . 24 LYS HN . 15651 1 150 . 1 1 24 24 LYS C C 13 172.965 . . 1 . . . . 24 LYS C . 15651 1 151 . 1 1 24 24 LYS CA C 13 54.062 . . 1 . . . . 24 LYS CA . 15651 1 152 . 1 1 24 24 LYS CB C 13 36.774 . . 1 . . . . 24 LYS CB . 15651 1 153 . 1 1 24 24 LYS CD C 13 28.086 . . 1 . . . . 24 LYS CD . 15651 1 154 . 1 1 24 24 LYS CE C 13 41.714 . . 1 . . . . 24 LYS CE . 15651 1 155 . 1 1 24 24 LYS CG C 13 23.088 . . 1 . . . . 24 LYS CG . 15651 1 156 . 1 1 24 24 LYS N N 15 116.402 . . 1 . . . . 24 LYS N . 15651 1 157 . 1 1 25 25 LEU H H 1 8.587 . . 1 . . . . 25 LEU HN . 15651 1 158 . 1 1 25 25 LEU HD11 H 1 1.125 . . 1 . . . . 25 LEU HD11 . 15651 1 159 . 1 1 25 25 LEU HD12 H 1 1.125 . . 1 . . . . 25 LEU HD11 . 15651 1 160 . 1 1 25 25 LEU HD13 H 1 1.125 . . 1 . . . . 25 LEU HD11 . 15651 1 161 . 1 1 25 25 LEU HD21 H 1 1.160 . . 1 . . . . 25 LEU HD21 . 15651 1 162 . 1 1 25 25 LEU HD22 H 1 1.160 . . 1 . . . . 25 LEU HD21 . 15651 1 163 . 1 1 25 25 LEU HD23 H 1 1.160 . . 1 . . . . 25 LEU HD21 . 15651 1 164 . 1 1 25 25 LEU C C 13 175.205 . . 1 . . . . 25 LEU C . 15651 1 165 . 1 1 25 25 LEU CA C 13 53.446 . . 1 . . . . 25 LEU CA . 15651 1 166 . 1 1 25 25 LEU CB C 13 46.287 . . 1 . . . . 25 LEU CB . 15651 1 167 . 1 1 25 25 LEU CD1 C 13 23.937 . . 1 . . . . 25 LEU CD1 . 15651 1 168 . 1 1 25 25 LEU CD2 C 13 23.697 . . 1 . . . . 25 LEU CD2 . 15651 1 169 . 1 1 25 25 LEU CG C 13 26.176 . . 1 . . . . 25 LEU CG . 15651 1 170 . 1 1 25 25 LEU N N 15 119.932 . . 1 . . . . 25 LEU N . 15651 1 171 . 1 1 26 26 GLY H H 1 8.637 . . 1 . . . . 26 GLY HN . 15651 1 172 . 1 1 26 26 GLY C C 13 170.804 . . 1 . . . . 26 GLY C . 15651 1 173 . 1 1 26 26 GLY CA C 13 45.669 . . 1 . . . . 26 GLY CA . 15651 1 174 . 1 1 26 26 GLY N N 15 108.136 . . 1 . . . . 26 GLY N . 15651 1 175 . 1 1 27 27 TRP H H 1 8.642 . . 1 . . . . 27 TRP HN . 15651 1 176 . 1 1 27 27 TRP HE1 H 1 10.358 . . 1 . . . . 27 TRP HE1 . 15651 1 177 . 1 1 27 27 TRP C C 13 174.820 . . 1 . . . . 27 TRP C . 15651 1 178 . 1 1 27 27 TRP CB C 13 30.883 . . 1 . . . . 27 TRP CB . 15651 1 179 . 1 1 27 27 TRP N N 15 120.887 . . 1 . . . . 27 TRP N . 15651 1 180 . 1 1 27 27 TRP NE1 N 15 129.438 . . 1 . . . . 27 TRP NE1 . 15651 1 181 . 1 1 32 32 ASP C C 13 176.315 . . 1 . . . . 32 ASP C . 15651 1 182 . 1 1 32 32 ASP CA C 13 53.737 . . 1 . . . . 32 ASP CA . 15651 1 183 . 1 1 32 32 ASP CB C 13 41.230 . . 1 . . . . 32 ASP CB . 15651 1 184 . 1 1 33 33 THR H H 1 8.190 . . 1 . . . . 33 THR HN . 15651 1 185 . 1 1 33 33 THR HG21 H 1 1.316 . . 1 . . . . 33 THR HG21 . 15651 1 186 . 1 1 33 33 THR HG22 H 1 1.316 . . 1 . . . . 33 THR HG21 . 15651 1 187 . 1 1 33 33 THR HG23 H 1 1.316 . . 1 . . . . 33 THR HG21 . 15651 1 188 . 1 1 33 33 THR C C 13 175.291 . . 1 . . . . 33 THR C . 15651 1 189 . 1 1 33 33 THR CA C 13 61.909 . . 1 . . . . 33 THR CA . 15651 1 190 . 1 1 33 33 THR CB C 13 68.961 . . 1 . . . . 33 THR CB . 15651 1 191 . 1 1 33 33 THR CG2 C 13 20.830 . . 1 . . . . 33 THR CG2 . 15651 1 192 . 1 1 33 33 THR N N 15 114.235 . . 1 . . . . 33 THR N . 15651 1 193 . 1 1 34 34 GLY H H 1 8.341 . . 1 . . . . 34 GLY HN . 15651 1 194 . 1 1 34 34 GLY C C 13 173.766 . . 1 . . . . 34 GLY C . 15651 1 195 . 1 1 34 34 GLY CA C 13 44.941 . . 1 . . . . 34 GLY CA . 15651 1 196 . 1 1 34 34 GLY N N 15 110.678 . . 1 . . . . 34 GLY N . 15651 1 197 . 1 1 35 35 PHE H H 1 7.945 . . 1 . . . . 35 PHE HN . 15651 1 198 . 1 1 35 35 PHE C C 13 175.411 . . 1 . . . . 35 PHE C . 15651 1 199 . 1 1 35 35 PHE CA C 13 57.921 . . 1 . . . . 35 PHE CA . 15651 1 200 . 1 1 35 35 PHE CB C 13 38.806 . . 1 . . . . 35 PHE CB . 15651 1 201 . 1 1 35 35 PHE N N 15 120.533 . . 1 . . . . 35 PHE N . 15651 1 202 . 1 1 36 36 TYR H H 1 7.967 . . 1 . . . . 36 TYR HN . 15651 1 203 . 1 1 36 36 TYR C C 13 176.104 . . 1 . . . . 36 TYR C . 15651 1 204 . 1 1 36 36 TYR CA C 13 57.568 . . 1 . . . . 36 TYR CA . 15651 1 205 . 1 1 36 36 TYR CB C 13 37.727 . . 1 . . . . 36 TYR CB . 15651 1 206 . 1 1 36 36 TYR N N 15 120.254 . . 1 . . . . 36 TYR N . 15651 1 207 . 1 1 37 37 GLY H H 1 7.666 . . 1 . . . . 37 GLY HN . 15651 1 208 . 1 1 37 37 GLY C C 13 173.794 . . 1 . . . . 37 GLY C . 15651 1 209 . 1 1 37 37 GLY CA C 13 45.007 . . 1 . . . . 37 GLY CA . 15651 1 210 . 1 1 37 37 GLY N N 15 108.995 . . 1 . . . . 37 GLY N . 15651 1 211 . 1 1 38 38 ASN H H 1 8.109 . . 1 . . . . 38 ASN HN . 15651 1 212 . 1 1 38 38 ASN C C 13 175.612 . . 1 . . . . 38 ASN C . 15651 1 213 . 1 1 38 38 ASN CA C 13 52.954 . . 1 . . . . 38 ASN CA . 15651 1 214 . 1 1 38 38 ASN CB C 13 38.425 . . 1 . . . . 38 ASN CB . 15651 1 215 . 1 1 38 38 ASN N N 15 118.603 . . 1 . . . . 38 ASN N . 15651 1 216 . 1 1 39 39 GLY H H 1 8.202 . . 1 . . . . 39 GLY HN . 15651 1 217 . 1 1 39 39 GLY C C 13 173.958 . . 1 . . . . 39 GLY C . 15651 1 218 . 1 1 39 39 GLY CA C 13 45.012 . . 1 . . . . 39 GLY CA . 15651 1 219 . 1 1 39 39 GLY N N 15 108.897 . . 1 . . . . 39 GLY N . 15651 1 220 . 1 1 40 40 PHE H H 1 7.960 . . 1 . . . . 40 PHE HN . 15651 1 221 . 1 1 40 40 PHE C C 13 175.653 . . 1 . . . . 40 PHE C . 15651 1 222 . 1 1 40 40 PHE CA C 13 57.556 . . 1 . . . . 40 PHE CA . 15651 1 223 . 1 1 40 40 PHE CB C 13 38.513 . . 1 . . . . 40 PHE CB . 15651 1 224 . 1 1 40 40 PHE N N 15 119.829 . . 1 . . . . 40 PHE N . 15651 1 225 . 1 1 41 41 GLN H H 1 8.173 . . 1 . . . . 41 GLN HN . 15651 1 226 . 1 1 41 41 GLN C C 13 175.234 . . 1 . . . . 41 GLN C . 15651 1 227 . 1 1 41 41 GLN CA C 13 55.488 . . 1 . . . . 41 GLN CA . 15651 1 228 . 1 1 41 41 GLN CB C 13 28.523 . . 1 . . . . 41 GLN CB . 15651 1 229 . 1 1 41 41 GLN CG C 13 32.959 . . 1 . . . . 41 GLN CG . 15651 1 230 . 1 1 41 41 GLN N N 15 120.810 . . 1 . . . . 41 GLN N . 15651 1 231 . 1 1 42 42 ASN H H 1 8.193 . . 1 . . . . 42 ASN HN . 15651 1 232 . 1 1 42 42 ASN C C 13 174.618 . . 1 . . . . 42 ASN C . 15651 1 233 . 1 1 42 42 ASN CA C 13 52.924 . . 1 . . . . 42 ASN CA . 15651 1 234 . 1 1 42 42 ASN CB C 13 38.333 . . 1 . . . . 42 ASN CB . 15651 1 235 . 1 1 42 42 ASN N N 15 119.679 . . 1 . . . . 42 ASN N . 15651 1 236 . 1 1 43 43 ASN H H 1 8.255 . . 1 . . . . 43 ASN HN . 15651 1 237 . 1 1 43 43 ASN C C 13 173.873 . . 1 . . . . 43 ASN C . 15651 1 238 . 1 1 43 43 ASN CA C 13 52.919 . . 1 . . . . 43 ASN CA . 15651 1 239 . 1 1 43 43 ASN CB C 13 38.580 . . 1 . . . . 43 ASN CB . 15651 1 240 . 1 1 43 43 ASN N N 15 119.773 . . 1 . . . . 43 ASN N . 15651 1 241 . 1 1 44 44 ASN H H 1 7.865 . . 1 . . . . 44 ASN HN . 15651 1 242 . 1 1 44 44 ASN C C 13 175.518 . . 1 . . . . 44 ASN C . 15651 1 243 . 1 1 44 44 ASN CA C 13 54.528 . . 1 . . . . 44 ASN CA . 15651 1 244 . 1 1 44 44 ASN CB C 13 40.170 . . 1 . . . . 44 ASN CB . 15651 1 245 . 1 1 44 44 ASN CG C 13 179.178 . . 1 . . . . 44 ASN CG . 15651 1 246 . 1 1 44 44 ASN N N 15 124.152 . . 1 . . . . 44 ASN N . 15651 1 247 . 1 1 46 46 PRO C C 13 177.228 . . 1 . . . . 46 PRO C . 15651 1 248 . 1 1 46 46 PRO CA C 13 62.794 . . 1 . . . . 46 PRO CA . 15651 1 249 . 1 1 46 46 PRO CB C 13 31.283 . . 1 . . . . 46 PRO CB . 15651 1 250 . 1 1 46 46 PRO CG C 13 26.089 . . 1 . . . . 46 PRO CG . 15651 1 251 . 1 1 47 47 THR H H 1 8.165 . . 1 . . . . 47 THR HN . 15651 1 252 . 1 1 47 47 THR HG21 H 1 1.284 . . 1 . . . . 47 THR HG21 . 15651 1 253 . 1 1 47 47 THR HG22 H 1 1.284 . . 1 . . . . 47 THR HG21 . 15651 1 254 . 1 1 47 47 THR HG23 H 1 1.284 . . 1 . . . . 47 THR HG21 . 15651 1 255 . 1 1 47 47 THR C C 13 174.573 . . 1 . . . . 47 THR C . 15651 1 256 . 1 1 47 47 THR CA C 13 61.346 . . 1 . . . . 47 THR CA . 15651 1 257 . 1 1 47 47 THR CB C 13 69.573 . . 1 . . . . 47 THR CB . 15651 1 258 . 1 1 47 47 THR CG2 C 13 20.889 . . 1 . . . . 47 THR CG2 . 15651 1 259 . 1 1 47 47 THR N N 15 114.265 . . 1 . . . . 47 THR N . 15651 1 260 . 1 1 48 48 ARG H H 1 8.237 . . 1 . . . . 48 ARG HN . 15651 1 261 . 1 1 48 48 ARG C C 13 175.898 . . 1 . . . . 48 ARG C . 15651 1 262 . 1 1 48 48 ARG CA C 13 55.717 . . 1 . . . . 48 ARG CA . 15651 1 263 . 1 1 48 48 ARG CB C 13 30.151 . . 1 . . . . 48 ARG CB . 15651 1 264 . 1 1 48 48 ARG CD C 13 42.431 . . 1 . . . . 48 ARG CD . 15651 1 265 . 1 1 48 48 ARG CG C 13 26.127 . . 1 . . . . 48 ARG CG . 15651 1 266 . 1 1 48 48 ARG N N 15 122.795 . . 1 . . . . 48 ARG N . 15651 1 267 . 1 1 49 49 ASN H H 1 8.369 . . 1 . . . . 49 ASN HN . 15651 1 268 . 1 1 49 49 ASN C C 13 174.560 . . 1 . . . . 49 ASN C . 15651 1 269 . 1 1 49 49 ASN CA C 13 53.005 . . 1 . . . . 49 ASN CA . 15651 1 270 . 1 1 49 49 ASN CB C 13 38.761 . . 1 . . . . 49 ASN CB . 15651 1 271 . 1 1 49 49 ASN N N 15 119.837 . . 1 . . . . 49 ASN N . 15651 1 272 . 1 1 50 50 ASP H H 1 8.192 . . 1 . . . . 50 ASP HN . 15651 1 273 . 1 1 50 50 ASP C C 13 175.699 . . 1 . . . . 50 ASP C . 15651 1 274 . 1 1 50 50 ASP CA C 13 54.289 . . 1 . . . . 50 ASP CA . 15651 1 275 . 1 1 50 50 ASP CB C 13 41.264 . . 1 . . . . 50 ASP CB . 15651 1 276 . 1 1 50 50 ASP N N 15 120.403 . . 1 . . . . 50 ASP N . 15651 1 277 . 1 1 51 51 GLN H H 1 8.428 . . 1 . . . . 51 GLN HN . 15651 1 278 . 1 1 51 51 GLN C C 13 175.186 . . 1 . . . . 51 GLN C . 15651 1 279 . 1 1 51 51 GLN CA C 13 54.512 . . 1 . . . . 51 GLN CA . 15651 1 280 . 1 1 51 51 GLN CB C 13 30.424 . . 1 . . . . 51 GLN CB . 15651 1 281 . 1 1 51 51 GLN CG C 13 33.628 . . 1 . . . . 51 GLN CG . 15651 1 282 . 1 1 51 51 GLN N N 15 118.959 . . 1 . . . . 51 GLN N . 15651 1 283 . 1 1 52 52 LEU HD11 H 1 1.034 . . 1 . . . . 52 LEU HD11 . 15651 1 284 . 1 1 52 52 LEU HD12 H 1 1.034 . . 1 . . . . 52 LEU HD11 . 15651 1 285 . 1 1 52 52 LEU HD13 H 1 1.034 . . 1 . . . . 52 LEU HD11 . 15651 1 286 . 1 1 52 52 LEU HD21 H 1 1.044 . . 1 . . . . 52 LEU HD21 . 15651 1 287 . 1 1 52 52 LEU HD22 H 1 1.044 . . 1 . . . . 52 LEU HD21 . 15651 1 288 . 1 1 52 52 LEU HD23 H 1 1.044 . . 1 . . . . 52 LEU HD21 . 15651 1 289 . 1 1 52 52 LEU C C 13 176.018 . . 1 . . . . 52 LEU C . 15651 1 290 . 1 1 52 52 LEU CA C 13 54.332 . . 1 . . . . 52 LEU CA . 15651 1 291 . 1 1 52 52 LEU CB C 13 43.022 . . 1 . . . . 52 LEU CB . 15651 1 292 . 1 1 52 52 LEU CD1 C 13 26.571 . . 1 . . . . 52 LEU CD1 . 15651 1 293 . 1 1 52 52 LEU CD2 C 13 23.789 . . 1 . . . . 52 LEU CD2 . 15651 1 294 . 1 1 53 53 GLY H H 1 8.639 . . 1 . . . . 53 GLY HN . 15651 1 295 . 1 1 53 53 GLY C C 13 171.931 . . 1 . . . . 53 GLY C . 15651 1 296 . 1 1 53 53 GLY CA C 13 43.501 . . 1 . . . . 53 GLY CA . 15651 1 297 . 1 1 53 53 GLY N N 15 109.964 . . 1 . . . . 53 GLY N . 15651 1 298 . 1 1 54 54 ALA H H 1 8.881 . . 1 . . . . 54 ALA HN . 15651 1 299 . 1 1 54 54 ALA C C 13 175.543 . . 1 . . . . 54 ALA C . 15651 1 300 . 1 1 54 54 ALA CA C 13 50.710 . . 1 . . . . 54 ALA CA . 15651 1 301 . 1 1 54 54 ALA CB C 13 22.914 . . 1 . . . . 54 ALA CB . 15651 1 302 . 1 1 54 54 ALA N N 15 120.413 . . 1 . . . . 54 ALA N . 15651 1 303 . 1 1 55 55 GLY H H 1 8.346 . . 1 . . . . 55 GLY HN . 15651 1 304 . 1 1 55 55 GLY C C 13 170.960 . . 1 . . . . 55 GLY C . 15651 1 305 . 1 1 55 55 GLY CA C 13 46.704 . . 1 . . . . 55 GLY CA . 15651 1 306 . 1 1 55 55 GLY N N 15 104.688 . . 1 . . . . 55 GLY N . 15651 1 307 . 1 1 56 56 ALA H H 1 9.116 . . 1 . . . . 56 ALA HN . 15651 1 308 . 1 1 56 56 ALA C C 13 176.472 . . 1 . . . . 56 ALA C . 15651 1 309 . 1 1 56 56 ALA CA C 13 49.638 . . 1 . . . . 56 ALA CA . 15651 1 310 . 1 1 56 56 ALA CB C 13 22.275 . . 1 . . . . 56 ALA CB . 15651 1 311 . 1 1 56 56 ALA N N 15 120.608 . . 1 . . . . 56 ALA N . 15651 1 312 . 1 1 57 57 PHE H H 1 8.688 . . 1 . . . . 57 PHE HN . 15651 1 313 . 1 1 57 57 PHE C C 13 172.816 . . 1 . . . . 57 PHE C . 15651 1 314 . 1 1 57 57 PHE CA C 13 56.066 . . 1 . . . . 57 PHE CA . 15651 1 315 . 1 1 57 57 PHE CB C 13 41.770 . . 1 . . . . 57 PHE CB . 15651 1 316 . 1 1 57 57 PHE N N 15 120.027 . . 1 . . . . 57 PHE N . 15651 1 317 . 1 1 58 58 GLY H H 1 9.034 . . 1 . . . . 58 GLY HN . 15651 1 318 . 1 1 58 58 GLY C C 13 170.860 . . 1 . . . . 58 GLY C . 15651 1 319 . 1 1 58 58 GLY CA C 13 44.954 . . 1 . . . . 58 GLY CA . 15651 1 320 . 1 1 58 58 GLY N N 15 105.817 . . 1 . . . . 58 GLY N . 15651 1 321 . 1 1 59 59 GLY H H 1 8.382 . . 1 . . . . 59 GLY HN . 15651 1 322 . 1 1 59 59 GLY C C 13 169.284 . . 1 . . . . 59 GLY C . 15651 1 323 . 1 1 59 59 GLY CA C 13 45.840 . . 1 . . . . 59 GLY CA . 15651 1 324 . 1 1 59 59 GLY N N 15 109.059 . . 1 . . . . 59 GLY N . 15651 1 325 . 1 1 60 60 TYR H H 1 8.430 . . 1 . . . . 60 TYR HN . 15651 1 326 . 1 1 60 60 TYR C C 13 173.453 . . 1 . . . . 60 TYR C . 15651 1 327 . 1 1 60 60 TYR CA C 13 55.282 . . 1 . . . . 60 TYR CA . 15651 1 328 . 1 1 60 60 TYR CB C 13 41.712 . . 1 . . . . 60 TYR CB . 15651 1 329 . 1 1 60 60 TYR N N 15 118.352 . . 1 . . . . 60 TYR N . 15651 1 330 . 1 1 61 61 GLN H H 1 8.833 . . 1 . . . . 61 GLN HN . 15651 1 331 . 1 1 61 61 GLN C C 13 174.365 . . 1 . . . . 61 GLN C . 15651 1 332 . 1 1 61 61 GLN CA C 13 54.125 . . 1 . . . . 61 GLN CA . 15651 1 333 . 1 1 61 61 GLN CB C 13 28.033 . . 1 . . . . 61 GLN CB . 15651 1 334 . 1 1 61 61 GLN CG C 13 31.714 . . 1 . . . . 61 GLN CG . 15651 1 335 . 1 1 61 61 GLN N N 15 129.628 . . 1 . . . . 61 GLN N . 15651 1 336 . 1 1 62 62 VAL H H 1 8.714 . . 1 . . . . 62 VAL HN . 15651 1 337 . 1 1 62 62 VAL HG11 H 1 1.206 . . 1 . . . . 62 VAL HG11 . 15651 1 338 . 1 1 62 62 VAL HG12 H 1 1.206 . . 1 . . . . 62 VAL HG11 . 15651 1 339 . 1 1 62 62 VAL HG13 H 1 1.206 . . 1 . . . . 62 VAL HG11 . 15651 1 340 . 1 1 62 62 VAL HG21 H 1 1.246 . . 1 . . . . 62 VAL HG21 . 15651 1 341 . 1 1 62 62 VAL HG22 H 1 1.246 . . 1 . . . . 62 VAL HG21 . 15651 1 342 . 1 1 62 62 VAL HG23 H 1 1.246 . . 1 . . . . 62 VAL HG21 . 15651 1 343 . 1 1 62 62 VAL C C 13 175.758 . . 1 . . . . 62 VAL C . 15651 1 344 . 1 1 62 62 VAL CA C 13 64.649 . . 1 . . . . 62 VAL CA . 15651 1 345 . 1 1 62 62 VAL CB C 13 31.900 . . 1 . . . . 62 VAL CB . 15651 1 346 . 1 1 62 62 VAL CG1 C 13 20.327 . . 1 . . . . 62 VAL CG1 . 15651 1 347 . 1 1 62 62 VAL CG2 C 13 20.950 . . 1 . . . . 62 VAL CG2 . 15651 1 348 . 1 1 62 62 VAL N N 15 127.666 . . 1 . . . . 62 VAL N . 15651 1 349 . 1 1 63 63 ASN H H 1 8.062 . . 1 . . . . 63 ASN HN . 15651 1 350 . 1 1 63 63 ASN C C 13 172.827 . . 1 . . . . 63 ASN C . 15651 1 351 . 1 1 63 63 ASN CA C 13 51.575 . . 1 . . . . 63 ASN CA . 15651 1 352 . 1 1 63 63 ASN CB C 13 37.194 . . 1 . . . . 63 ASN CB . 15651 1 353 . 1 1 63 63 ASN N N 15 116.310 . . 1 . . . . 63 ASN N . 15651 1 354 . 1 1 64 64 PRO C C 13 175.071 . . 1 . . . . 64 PRO C . 15651 1 355 . 1 1 64 64 PRO CA C 13 65.296 . . 1 . . . . 64 PRO CA . 15651 1 356 . 1 1 64 64 PRO CB C 13 30.428 . . 1 . . . . 64 PRO CB . 15651 1 357 . 1 1 65 65 TYR H H 1 7.873 . . 1 . . . . 65 TYR HN . 15651 1 358 . 1 1 65 65 TYR C C 13 175.145 . . 1 . . . . 65 TYR C . 15651 1 359 . 1 1 65 65 TYR CA C 13 56.125 . . 1 . . . . 65 TYR CA . 15651 1 360 . 1 1 65 65 TYR CB C 13 39.189 . . 1 . . . . 65 TYR CB . 15651 1 361 . 1 1 65 65 TYR N N 15 112.894 . . 1 . . . . 65 TYR N . 15651 1 362 . 1 1 66 66 LEU H H 1 7.308 . . 1 . . . . 66 LEU HN . 15651 1 363 . 1 1 66 66 LEU HD11 H 1 0.842 . . 1 . . . . 66 LEU HD11 . 15651 1 364 . 1 1 66 66 LEU HD12 H 1 0.842 . . 1 . . . . 66 LEU HD11 . 15651 1 365 . 1 1 66 66 LEU HD13 H 1 0.842 . . 1 . . . . 66 LEU HD11 . 15651 1 366 . 1 1 66 66 LEU HD21 H 1 0.986 . . 1 . . . . 66 LEU HD21 . 15651 1 367 . 1 1 66 66 LEU HD22 H 1 0.986 . . 1 . . . . 66 LEU HD21 . 15651 1 368 . 1 1 66 66 LEU HD23 H 1 0.986 . . 1 . . . . 66 LEU HD21 . 15651 1 369 . 1 1 66 66 LEU C C 13 173.866 . . 1 . . . . 66 LEU C . 15651 1 370 . 1 1 66 66 LEU CA C 13 53.431 . . 1 . . . . 66 LEU CA . 15651 1 371 . 1 1 66 66 LEU CB C 13 44.958 . . 1 . . . . 66 LEU CB . 15651 1 372 . 1 1 66 66 LEU CD1 C 13 21.251 . . 1 . . . . 66 LEU CD1 . 15651 1 373 . 1 1 66 66 LEU CD2 C 13 25.086 . . 1 . . . . 66 LEU CD2 . 15651 1 374 . 1 1 66 66 LEU CG C 13 26.301 . . 1 . . . . 66 LEU CG . 15651 1 375 . 1 1 66 66 LEU N N 15 120.270 . . 1 . . . . 66 LEU N . 15651 1 376 . 1 1 67 67 GLY H H 1 8.855 . . 1 . . . . 67 GLY HN . 15651 1 377 . 1 1 67 67 GLY C C 13 170.698 . . 1 . . . . 67 GLY C . 15651 1 378 . 1 1 67 67 GLY CA C 13 44.008 . . 1 . . . . 67 GLY CA . 15651 1 379 . 1 1 67 67 GLY N N 15 114.388 . . 1 . . . . 67 GLY N . 15651 1 380 . 1 1 68 68 PHE H H 1 8.770 . . 1 . . . . 68 PHE HN . 15651 1 381 . 1 1 68 68 PHE C C 13 173.386 . . 1 . . . . 68 PHE C . 15651 1 382 . 1 1 68 68 PHE CA C 13 56.507 . . 1 . . . . 68 PHE CA . 15651 1 383 . 1 1 68 68 PHE CB C 13 42.428 . . 1 . . . . 68 PHE CB . 15651 1 384 . 1 1 68 68 PHE N N 15 117.510 . . 1 . . . . 68 PHE N . 15651 1 385 . 1 1 69 69 GLU H H 1 9.079 . . 1 . . . . 69 GLU HN . 15651 1 386 . 1 1 69 69 GLU C C 13 174.556 . . 1 . . . . 69 GLU C . 15651 1 387 . 1 1 69 69 GLU CA C 13 54.939 . . 1 . . . . 69 GLU CA . 15651 1 388 . 1 1 69 69 GLU CB C 13 33.963 . . 1 . . . . 69 GLU CB . 15651 1 389 . 1 1 69 69 GLU CG C 13 35.979 . . 1 . . . . 69 GLU CG . 15651 1 390 . 1 1 69 69 GLU N N 15 120.562 . . 1 . . . . 69 GLU N . 15651 1 391 . 1 1 70 70 MET H H 1 9.481 . . 1 . . . . 70 MET HN . 15651 1 392 . 1 1 70 70 MET C C 13 174.595 . . 1 . . . . 70 MET C . 15651 1 393 . 1 1 70 70 MET CA C 13 53.091 . . 1 . . . . 70 MET CA . 15651 1 394 . 1 1 70 70 MET CB C 13 36.159 . . 1 . . . . 70 MET CB . 15651 1 395 . 1 1 70 70 MET CE C 13 16.790 . . 1 . . . . 70 MET CE . 15651 1 396 . 1 1 70 70 MET CG C 13 31.497 . . 1 . . . . 70 MET CG . 15651 1 397 . 1 1 70 70 MET N N 15 124.928 . . 1 . . . . 70 MET N . 15651 1 398 . 1 1 71 71 GLY H H 1 8.845 . . 1 . . . . 71 GLY HN . 15651 1 399 . 1 1 71 71 GLY C C 13 170.811 . . 1 . . . . 71 GLY C . 15651 1 400 . 1 1 71 71 GLY CA C 13 44.624 . . 1 . . . . 71 GLY CA . 15651 1 401 . 1 1 71 71 GLY N N 15 108.896 . . 1 . . . . 71 GLY N . 15651 1 402 . 1 1 72 72 TYR H H 1 8.925 . . 1 . . . . 72 TYR HN . 15651 1 403 . 1 1 72 72 TYR C C 13 173.278 . . 1 . . . . 72 TYR C . 15651 1 404 . 1 1 72 72 TYR CA C 13 55.912 . . 1 . . . . 72 TYR CA . 15651 1 405 . 1 1 72 72 TYR CB C 13 41.611 . . 1 . . . . 72 TYR CB . 15651 1 406 . 1 1 72 72 TYR N N 15 123.253 . . 1 . . . . 72 TYR N . 15651 1 407 . 1 1 73 73 ASP H H 1 8.665 . . 1 . . . . 73 ASP HN . 15651 1 408 . 1 1 73 73 ASP C C 13 173.598 . . 1 . . . . 73 ASP C . 15651 1 409 . 1 1 73 73 ASP CA C 13 52.857 . . 1 . . . . 73 ASP CA . 15651 1 410 . 1 1 73 73 ASP CB C 13 42.774 . . 1 . . . . 73 ASP CB . 15651 1 411 . 1 1 73 73 ASP N N 15 126.178 . . 1 . . . . 73 ASP N . 15651 1 412 . 1 1 74 74 TRP H H 1 9.080 . . 1 . . . . 74 TRP HN . 15651 1 413 . 1 1 74 74 TRP C C 13 174.868 . . 1 . . . . 74 TRP C . 15651 1 414 . 1 1 74 74 TRP CB C 13 30.083 . . 1 . . . . 74 TRP CB . 15651 1 415 . 1 1 74 74 TRP N N 15 121.824 . . 1 . . . . 74 TRP N . 15651 1 416 . 1 1 78 78 MET C C 13 174.548 . . 1 . . . . 78 MET C . 15651 1 417 . 1 1 78 78 MET CA C 13 54.388 . . 1 . . . . 78 MET CA . 15651 1 418 . 1 1 78 78 MET CB C 13 32.542 . . 1 . . . . 78 MET CB . 15651 1 419 . 1 1 79 79 ALA H H 1 8.105 . . 1 . . . . 79 ALA HN . 15651 1 420 . 1 1 79 79 ALA C C 13 176.629 . . 1 . . . . 79 ALA C . 15651 1 421 . 1 1 79 79 ALA CA C 13 51.210 . . 1 . . . . 79 ALA CA . 15651 1 422 . 1 1 79 79 ALA CB C 13 19.106 . . 1 . . . . 79 ALA CB . 15651 1 423 . 1 1 79 79 ALA N N 15 125.778 . . 1 . . . . 79 ALA N . 15651 1 424 . 1 1 80 80 TYR H H 1 8.035 . . 1 . . . . 80 TYR HN . 15651 1 425 . 1 1 80 80 TYR C C 13 175.604 . . 1 . . . . 80 TYR C . 15651 1 426 . 1 1 80 80 TYR CA C 13 57.021 . . 1 . . . . 80 TYR CA . 15651 1 427 . 1 1 80 80 TYR CB C 13 38.416 . . 1 . . . . 80 TYR CB . 15651 1 428 . 1 1 80 80 TYR N N 15 120.045 . . 1 . . . . 80 TYR N . 15651 1 429 . 1 1 81 81 LYS H H 1 8.295 . . 1 . . . . 81 LYS HN . 15651 1 430 . 1 1 81 81 LYS C C 13 176.647 . . 1 . . . . 81 LYS C . 15651 1 431 . 1 1 81 81 LYS CA C 13 56.285 . . 1 . . . . 81 LYS CA . 15651 1 432 . 1 1 81 81 LYS CB C 13 31.571 . . 1 . . . . 81 LYS CB . 15651 1 433 . 1 1 81 81 LYS CG C 13 23.584 . . 1 . . . . 81 LYS CG . 15651 1 434 . 1 1 81 81 LYS N N 15 123.191 . . 1 . . . . 81 LYS N . 15651 1 435 . 1 1 82 82 GLY H H 1 8.117 . . 1 . . . . 82 GLY HN . 15651 1 436 . 1 1 82 82 GLY C C 13 174.010 . . 1 . . . . 82 GLY C . 15651 1 437 . 1 1 82 82 GLY CA C 13 44.982 . . 1 . . . . 82 GLY CA . 15651 1 438 . 1 1 82 82 GLY N N 15 110.014 . . 1 . . . . 82 GLY N . 15651 1 439 . 1 1 83 83 SER H H 1 7.938 . . 1 . . . . 83 SER HN . 15651 1 440 . 1 1 83 83 SER C C 13 174.634 . . 1 . . . . 83 SER C . 15651 1 441 . 1 1 83 83 SER CA C 13 57.685 . . 1 . . . . 83 SER CA . 15651 1 442 . 1 1 83 83 SER CB C 13 63.303 . . 1 . . . . 83 SER CB . 15651 1 443 . 1 1 83 83 SER N N 15 115.655 . . 1 . . . . 83 SER N . 15651 1 444 . 1 1 84 84 VAL H H 1 8.008 . . 1 . . . . 84 VAL HN . 15651 1 445 . 1 1 84 84 VAL HG11 H 1 1.008 . . 1 . . . . 84 VAL HG11 . 15651 1 446 . 1 1 84 84 VAL HG12 H 1 1.008 . . 1 . . . . 84 VAL HG11 . 15651 1 447 . 1 1 84 84 VAL HG13 H 1 1.008 . . 1 . . . . 84 VAL HG11 . 15651 1 448 . 1 1 84 84 VAL HG21 H 1 1.007 . . 1 . . . . 84 VAL HG21 . 15651 1 449 . 1 1 84 84 VAL HG22 H 1 1.007 . . 1 . . . . 84 VAL HG21 . 15651 1 450 . 1 1 84 84 VAL HG23 H 1 1.007 . . 1 . . . . 84 VAL HG21 . 15651 1 451 . 1 1 84 84 VAL C C 13 175.525 . . 1 . . . . 84 VAL C . 15651 1 452 . 1 1 84 84 VAL CA C 13 61.769 . . 1 . . . . 84 VAL CA . 15651 1 453 . 1 1 84 84 VAL CB C 13 31.711 . . 1 . . . . 84 VAL CB . 15651 1 454 . 1 1 84 84 VAL CG1 C 13 20.182 . . 1 . . . . 84 VAL CG1 . 15651 1 455 . 1 1 84 84 VAL CG2 C 13 18.963 . . 1 . . . . 84 VAL CG2 . 15651 1 456 . 1 1 84 84 VAL N N 15 120.054 . . 1 . . . . 84 VAL N . 15651 1 457 . 1 1 85 85 ASP H H 1 8.140 . . 1 . . . . 85 ASP HN . 15651 1 458 . 1 1 85 85 ASP C C 13 174.740 . . 1 . . . . 85 ASP C . 15651 1 459 . 1 1 85 85 ASP CA C 13 53.983 . . 1 . . . . 85 ASP CA . 15651 1 460 . 1 1 85 85 ASP CB C 13 40.633 . . 1 . . . . 85 ASP CB . 15651 1 461 . 1 1 85 85 ASP N N 15 122.510 . . 1 . . . . 85 ASP N . 15651 1 462 . 1 1 86 86 ASN H H 1 7.736 . . 1 . . . . 86 ASN HN . 15651 1 463 . 1 1 86 86 ASN C C 13 175.970 . . 1 . . . . 86 ASN C . 15651 1 464 . 1 1 86 86 ASN CA C 13 54.349 . . 1 . . . . 86 ASN CA . 15651 1 465 . 1 1 86 86 ASN CB C 13 40.490 . . 1 . . . . 86 ASN CB . 15651 1 466 . 1 1 86 86 ASN CG C 13 179.062 . . 1 . . . . 86 ASN CG . 15651 1 467 . 1 1 86 86 ASN N N 15 124.290 . . 1 . . . . 86 ASN N . 15651 1 468 . 1 1 87 87 GLY H H 1 8.000 . . 1 . . . . 87 GLY HN . 15651 1 469 . 1 1 87 87 GLY C C 13 173.456 . . 1 . . . . 87 GLY C . 15651 1 470 . 1 1 87 87 GLY CA C 13 44.973 . . 1 . . . . 87 GLY CA . 15651 1 471 . 1 1 87 87 GLY N N 15 113.494 . . 1 . . . . 87 GLY N . 15651 1 472 . 1 1 88 88 ALA H H 1 8.024 . . 1 . . . . 88 ALA HN . 15651 1 473 . 1 1 88 88 ALA C C 13 176.833 . . 1 . . . . 88 ALA C . 15651 1 474 . 1 1 88 88 ALA CA C 13 51.734 . . 1 . . . . 88 ALA CA . 15651 1 475 . 1 1 88 88 ALA CB C 13 19.818 . . 1 . . . . 88 ALA CB . 15651 1 476 . 1 1 88 88 ALA N N 15 122.676 . . 1 . . . . 88 ALA N . 15651 1 477 . 1 1 91 91 ALA C C 13 174.781 . . 1 . . . . 91 ALA C . 15651 1 478 . 1 1 91 91 ALA CA C 13 50.537 . . 1 . . . . 91 ALA CA . 15651 1 479 . 1 1 91 91 ALA CB C 13 21.324 . . 1 . . . . 91 ALA CB . 15651 1 480 . 1 1 92 92 GLN H H 1 8.451 . . 1 . . . . 92 GLN HN . 15651 1 481 . 1 1 92 92 GLN C C 13 173.557 . . 1 . . . . 92 GLN C . 15651 1 482 . 1 1 92 92 GLN CA C 13 53.380 . . 1 . . . . 92 GLN CA . 15651 1 483 . 1 1 92 92 GLN CG C 13 32.735 . . 1 . . . . 92 GLN CG . 15651 1 484 . 1 1 92 92 GLN N N 15 116.847 . . 1 . . . . 92 GLN N . 15651 1 485 . 1 1 93 93 GLY C C 13 170.631 . . 1 . . . . 93 GLY C . 15651 1 486 . 1 1 93 93 GLY CA C 13 45.718 . . 1 . . . . 93 GLY CA . 15651 1 487 . 1 1 94 94 VAL H H 1 8.686 . . 1 . . . . 94 VAL HN . 15651 1 488 . 1 1 94 94 VAL HG11 H 1 1.136 . . 1 . . . . 94 VAL HG11 . 15651 1 489 . 1 1 94 94 VAL HG12 H 1 1.136 . . 1 . . . . 94 VAL HG11 . 15651 1 490 . 1 1 94 94 VAL HG13 H 1 1.136 . . 1 . . . . 94 VAL HG11 . 15651 1 491 . 1 1 94 94 VAL HG21 H 1 1.181 . . 1 . . . . 94 VAL HG21 . 15651 1 492 . 1 1 94 94 VAL HG22 H 1 1.181 . . 1 . . . . 94 VAL HG21 . 15651 1 493 . 1 1 94 94 VAL HG23 H 1 1.181 . . 1 . . . . 94 VAL HG21 . 15651 1 494 . 1 1 94 94 VAL C C 13 173.698 . . 1 . . . . 94 VAL C . 15651 1 495 . 1 1 94 94 VAL CA C 13 58.997 . . 1 . . . . 94 VAL CA . 15651 1 496 . 1 1 94 94 VAL CB C 13 33.311 . . 1 . . . . 94 VAL CB . 15651 1 497 . 1 1 94 94 VAL CG1 C 13 19.849 . . 1 . . . . 94 VAL CG1 . 15651 1 498 . 1 1 94 94 VAL CG2 C 13 20.748 . . 1 . . . . 94 VAL CG2 . 15651 1 499 . 1 1 94 94 VAL N N 15 118.489 . . 1 . . . . 94 VAL N . 15651 1 500 . 1 1 95 95 GLN H H 1 9.468 . . 1 . . . . 95 GLN HN . 15651 1 501 . 1 1 95 95 GLN C C 13 174.028 . . 1 . . . . 95 GLN C . 15651 1 502 . 1 1 95 95 GLN CA C 13 52.547 . . 1 . . . . 95 GLN CA . 15651 1 503 . 1 1 95 95 GLN CB C 13 33.816 . . 1 . . . . 95 GLN CB . 15651 1 504 . 1 1 95 95 GLN CG C 13 31.692 . . 1 . . . . 95 GLN CG . 15651 1 505 . 1 1 95 95 GLN N N 15 122.106 . . 1 . . . . 95 GLN N . 15651 1 506 . 1 1 96 96 LEU H H 1 8.484 . . 1 . . . . 96 LEU HN . 15651 1 507 . 1 1 96 96 LEU HD11 H 1 1.079 . . 1 . . . . 96 LEU HD11 . 15651 1 508 . 1 1 96 96 LEU HD12 H 1 1.079 . . 1 . . . . 96 LEU HD11 . 15651 1 509 . 1 1 96 96 LEU HD13 H 1 1.079 . . 1 . . . . 96 LEU HD11 . 15651 1 510 . 1 1 96 96 LEU HD21 H 1 1.006 . . 1 . . . . 96 LEU HD21 . 15651 1 511 . 1 1 96 96 LEU HD22 H 1 1.006 . . 1 . . . . 96 LEU HD21 . 15651 1 512 . 1 1 96 96 LEU HD23 H 1 1.006 . . 1 . . . . 96 LEU HD21 . 15651 1 513 . 1 1 96 96 LEU C C 13 175.322 . . 1 . . . . 96 LEU C . 15651 1 514 . 1 1 96 96 LEU CA C 13 53.736 . . 1 . . . . 96 LEU CA . 15651 1 515 . 1 1 96 96 LEU CB C 13 41.088 . . 1 . . . . 96 LEU CB . 15651 1 516 . 1 1 96 96 LEU CD1 C 13 22.528 . . 1 . . . . 96 LEU CD1 . 15651 1 517 . 1 1 96 96 LEU CD2 C 13 24.529 . . 1 . . . . 96 LEU CD2 . 15651 1 518 . 1 1 96 96 LEU CG C 13 27.020 . . 1 . . . . 96 LEU CG . 15651 1 519 . 1 1 96 96 LEU N N 15 123.224 . . 1 . . . . 96 LEU N . 15651 1 520 . 1 1 97 97 THR H H 1 9.116 . . 1 . . . . 97 THR HN . 15651 1 521 . 1 1 97 97 THR C C 13 173.251 . . 1 . . . . 97 THR C . 15651 1 522 . 1 1 97 97 THR CA C 13 58.931 . . 1 . . . . 97 THR CA . 15651 1 523 . 1 1 97 97 THR CB C 13 72.984 . . 1 . . . . 97 THR CB . 15651 1 524 . 1 1 97 97 THR CG2 C 13 18.855 . . 1 . . . . 97 THR CG2 . 15651 1 525 . 1 1 97 97 THR N N 15 112.504 . . 1 . . . . 97 THR N . 15651 1 526 . 1 1 98 98 ALA H H 1 8.603 . . 1 . . . . 98 ALA HN . 15651 1 527 . 1 1 98 98 ALA C C 13 174.948 . . 1 . . . . 98 ALA C . 15651 1 528 . 1 1 98 98 ALA CA C 13 49.980 . . 1 . . . . 98 ALA CA . 15651 1 529 . 1 1 98 98 ALA CB C 13 19.157 . . 1 . . . . 98 ALA CB . 15651 1 530 . 1 1 98 98 ALA N N 15 121.608 . . 1 . . . . 98 ALA N . 15651 1 531 . 1 1 99 99 LYS H H 1 8.890 . . 1 . . . . 99 LYS HN . 15651 1 532 . 1 1 99 99 LYS C C 13 174.294 . . 1 . . . . 99 LYS C . 15651 1 533 . 1 1 99 99 LYS CA C 13 54.019 . . 1 . . . . 99 LYS CA . 15651 1 534 . 1 1 99 99 LYS CB C 13 33.018 . . 1 . . . . 99 LYS CB . 15651 1 535 . 1 1 99 99 LYS CD C 13 27.257 . . 1 . . . . 99 LYS CD . 15651 1 536 . 1 1 99 99 LYS CE C 13 42.612 . . 1 . . . . 99 LYS CE . 15651 1 537 . 1 1 99 99 LYS CG C 13 22.285 . . 1 . . . . 99 LYS CG . 15651 1 538 . 1 1 99 99 LYS N N 15 124.522 . . 1 . . . . 99 LYS N . 15651 1 539 . 1 1 100 100 LEU H H 1 8.985 . . 1 . . . . 100 LEU HN . 15651 1 540 . 1 1 100 100 LEU HD11 H 1 0.985 . . 1 . . . . 100 LEU HD11 . 15651 1 541 . 1 1 100 100 LEU HD12 H 1 0.985 . . 1 . . . . 100 LEU HD11 . 15651 1 542 . 1 1 100 100 LEU HD13 H 1 0.985 . . 1 . . . . 100 LEU HD11 . 15651 1 543 . 1 1 100 100 LEU HD21 H 1 0.975 . . 1 . . . . 100 LEU HD21 . 15651 1 544 . 1 1 100 100 LEU HD22 H 1 0.975 . . 1 . . . . 100 LEU HD21 . 15651 1 545 . 1 1 100 100 LEU HD23 H 1 0.975 . . 1 . . . . 100 LEU HD21 . 15651 1 546 . 1 1 100 100 LEU C C 13 175.265 . . 1 . . . . 100 LEU C . 15651 1 547 . 1 1 100 100 LEU CA C 13 52.698 . . 1 . . . . 100 LEU CA . 15651 1 548 . 1 1 100 100 LEU CB C 13 42.889 . . 1 . . . . 100 LEU CB . 15651 1 549 . 1 1 100 100 LEU CD1 C 13 23.837 . . 1 . . . . 100 LEU CD1 . 15651 1 550 . 1 1 100 100 LEU CD2 C 13 24.300 . . 1 . . . . 100 LEU CD2 . 15651 1 551 . 1 1 100 100 LEU CG C 13 26.632 . . 1 . . . . 100 LEU CG . 15651 1 552 . 1 1 100 100 LEU N N 15 131.876 . . 1 . . . . 100 LEU N . 15651 1 553 . 1 1 101 101 GLY H H 1 9.137 . . 1 . . . . 101 GLY HN . 15651 1 554 . 1 1 101 101 GLY C C 13 170.798 . . 1 . . . . 101 GLY C . 15651 1 555 . 1 1 101 101 GLY CA C 13 44.429 . . 1 . . . . 101 GLY CA . 15651 1 556 . 1 1 101 101 GLY N N 15 111.928 . . 1 . . . . 101 GLY N . 15651 1 557 . 1 1 102 102 TYR H H 1 8.779 . . 1 . . . . 102 TYR HN . 15651 1 558 . 1 1 102 102 TYR C C 13 173.402 . . 1 . . . . 102 TYR C . 15651 1 559 . 1 1 102 102 TYR CA C 13 54.444 . . 1 . . . . 102 TYR CA . 15651 1 560 . 1 1 102 102 TYR CB C 13 42.239 . . 1 . . . . 102 TYR CB . 15651 1 561 . 1 1 102 102 TYR N N 15 116.664 . . 1 . . . . 102 TYR N . 15651 1 562 . 1 1 103 103 PRO C C 13 175.676 . . 1 . . . . 103 PRO C . 15651 1 563 . 1 1 103 103 PRO CA C 13 61.462 . . 1 . . . . 103 PRO CA . 15651 1 564 . 1 1 103 103 PRO CB C 13 30.073 . . 1 . . . . 103 PRO CB . 15651 1 565 . 1 1 104 104 ILE H H 1 8.670 . . 1 . . . . 104 ILE HN . 15651 1 566 . 1 1 104 104 ILE HD11 H 1 1.010 . . 1 . . . . 104 ILE HD11 . 15651 1 567 . 1 1 104 104 ILE HD12 H 1 1.010 . . 1 . . . . 104 ILE HD11 . 15651 1 568 . 1 1 104 104 ILE HD13 H 1 1.010 . . 1 . . . . 104 ILE HD11 . 15651 1 569 . 1 1 104 104 ILE C C 13 176.646 . . 1 . . . . 104 ILE C . 15651 1 570 . 1 1 104 104 ILE CA C 13 62.054 . . 1 . . . . 104 ILE CA . 15651 1 571 . 1 1 104 104 ILE CB C 13 37.678 . . 1 . . . . 104 ILE CB . 15651 1 572 . 1 1 104 104 ILE CD1 C 13 11.527 . . 1 . . . . 104 ILE CD1 . 15651 1 573 . 1 1 104 104 ILE CG2 C 13 17.067 . . 1 . . . . 104 ILE CG2 . 15651 1 574 . 1 1 104 104 ILE N N 15 125.939 . . 1 . . . . 104 ILE N . 15651 1 575 . 1 1 105 105 THR H H 1 8.129 . . 1 . . . . 105 THR HN . 15651 1 576 . 1 1 105 105 THR C C 13 174.344 . . 1 . . . . 105 THR C . 15651 1 577 . 1 1 105 105 THR CA C 13 59.176 . . 1 . . . . 105 THR CA . 15651 1 578 . 1 1 105 105 THR CB C 13 71.049 . . 1 . . . . 105 THR CB . 15651 1 579 . 1 1 105 105 THR CG2 C 13 21.471 . . 1 . . . . 105 THR CG2 . 15651 1 580 . 1 1 105 105 THR N N 15 109.853 . . 1 . . . . 105 THR N . 15651 1 581 . 1 1 106 106 ASP H H 1 8.424 . . 1 . . . . 106 ASP HN . 15651 1 582 . 1 1 106 106 ASP C C 13 175.692 . . 1 . . . . 106 ASP C . 15651 1 583 . 1 1 106 106 ASP CA C 13 56.465 . . 1 . . . . 106 ASP CA . 15651 1 584 . 1 1 106 106 ASP CB C 13 40.032 . . 1 . . . . 106 ASP CB . 15651 1 585 . 1 1 106 106 ASP N N 15 117.156 . . 1 . . . . 106 ASP N . 15651 1 586 . 1 1 107 107 ASP H H 1 8.124 . . 1 . . . . 107 ASP HN . 15651 1 587 . 1 1 107 107 ASP C C 13 174.174 . . 1 . . . . 107 ASP C . 15651 1 588 . 1 1 107 107 ASP CA C 13 52.907 . . 1 . . . . 107 ASP CA . 15651 1 589 . 1 1 107 107 ASP CB C 13 41.661 . . 1 . . . . 107 ASP CB . 15651 1 590 . 1 1 107 107 ASP N N 15 113.591 . . 1 . . . . 107 ASP N . 15651 1 591 . 1 1 108 108 LEU H H 1 7.336 . . 1 . . . . 108 LEU HN . 15651 1 592 . 1 1 108 108 LEU HD11 H 1 0.878 . . 1 . . . . 108 LEU HD11 . 15651 1 593 . 1 1 108 108 LEU HD12 H 1 0.878 . . 1 . . . . 108 LEU HD11 . 15651 1 594 . 1 1 108 108 LEU HD13 H 1 0.878 . . 1 . . . . 108 LEU HD11 . 15651 1 595 . 1 1 108 108 LEU HD21 H 1 0.837 . . 1 . . . . 108 LEU HD21 . 15651 1 596 . 1 1 108 108 LEU HD22 H 1 0.837 . . 1 . . . . 108 LEU HD21 . 15651 1 597 . 1 1 108 108 LEU HD23 H 1 0.837 . . 1 . . . . 108 LEU HD21 . 15651 1 598 . 1 1 108 108 LEU C C 13 174.321 . . 1 . . . . 108 LEU C . 15651 1 599 . 1 1 108 108 LEU CA C 13 54.449 . . 1 . . . . 108 LEU CA . 15651 1 600 . 1 1 108 108 LEU CB C 13 44.754 . . 1 . . . . 108 LEU CB . 15651 1 601 . 1 1 108 108 LEU CD1 C 13 23.675 . . 1 . . . . 108 LEU CD1 . 15651 1 602 . 1 1 108 108 LEU CD2 C 13 24.559 . . 1 . . . . 108 LEU CD2 . 15651 1 603 . 1 1 108 108 LEU CG C 13 26.087 . . 1 . . . . 108 LEU CG . 15651 1 604 . 1 1 108 108 LEU N N 15 123.244 . . 1 . . . . 108 LEU N . 15651 1 605 . 1 1 109 109 ASP H H 1 8.943 . . 1 . . . . 109 ASP HN . 15651 1 606 . 1 1 109 109 ASP C C 13 176.248 . . 1 . . . . 109 ASP C . 15651 1 607 . 1 1 109 109 ASP CA C 13 52.376 . . 1 . . . . 109 ASP CA . 15651 1 608 . 1 1 109 109 ASP CB C 13 42.764 . . 1 . . . . 109 ASP CB . 15651 1 609 . 1 1 109 109 ASP N N 15 124.634 . . 1 . . . . 109 ASP N . 15651 1 610 . 1 1 110 110 ILE H H 1 8.372 . . 1 . . . . 110 ILE HN . 15651 1 611 . 1 1 110 110 ILE HD11 H 1 0.947 . . 1 . . . . 110 ILE HD11 . 15651 1 612 . 1 1 110 110 ILE HD12 H 1 0.947 . . 1 . . . . 110 ILE HD11 . 15651 1 613 . 1 1 110 110 ILE HD13 H 1 0.947 . . 1 . . . . 110 ILE HD11 . 15651 1 614 . 1 1 110 110 ILE C C 13 173.735 . . 1 . . . . 110 ILE C . 15651 1 615 . 1 1 110 110 ILE CA C 13 59.129 . . 1 . . . . 110 ILE CA . 15651 1 616 . 1 1 110 110 ILE CB C 13 39.402 . . 1 . . . . 110 ILE CB . 15651 1 617 . 1 1 110 110 ILE CD1 C 13 12.693 . . 1 . . . . 110 ILE CD1 . 15651 1 618 . 1 1 110 110 ILE CG1 C 13 26.580 . . 1 . . . . 110 ILE CG1 . 15651 1 619 . 1 1 110 110 ILE CG2 C 13 16.274 . . 1 . . . . 110 ILE CG2 . 15651 1 620 . 1 1 110 110 ILE N N 15 119.135 . . 1 . . . . 110 ILE N . 15651 1 621 . 1 1 111 111 TYR H H 1 8.695 . . 1 . . . . 111 TYR HN . 15651 1 622 . 1 1 111 111 TYR C C 13 172.838 . . 1 . . . . 111 TYR C . 15651 1 623 . 1 1 111 111 TYR CA C 13 56.182 . . 1 . . . . 111 TYR CA . 15651 1 624 . 1 1 111 111 TYR CB C 13 41.489 . . 1 . . . . 111 TYR CB . 15651 1 625 . 1 1 111 111 TYR N N 15 121.248 . . 1 . . . . 111 TYR N . 15651 1 626 . 1 1 112 112 THR H H 1 9.172 . . 1 . . . . 112 THR HN . 15651 1 627 . 1 1 112 112 THR C C 13 173.850 . . 1 . . . . 112 THR C . 15651 1 628 . 1 1 112 112 THR CA C 13 58.246 . . 1 . . . . 112 THR CA . 15651 1 629 . 1 1 112 112 THR CB C 13 71.676 . . 1 . . . . 112 THR CB . 15651 1 630 . 1 1 112 112 THR CG2 C 13 19.857 . . 1 . . . . 112 THR CG2 . 15651 1 631 . 1 1 112 112 THR N N 15 110.671 . . 1 . . . . 112 THR N . 15651 1 632 . 1 1 113 113 ARG H H 1 8.732 . . 1 . . . . 113 ARG HN . 15651 1 633 . 1 1 113 113 ARG C C 13 175.037 . . 1 . . . . 113 ARG C . 15651 1 634 . 1 1 113 113 ARG CA C 13 53.995 . . 1 . . . . 113 ARG CA . 15651 1 635 . 1 1 113 113 ARG CB C 13 32.266 . . 1 . . . . 113 ARG CB . 15651 1 636 . 1 1 113 113 ARG CD C 13 41.965 . . 1 . . . . 113 ARG CD . 15651 1 637 . 1 1 113 113 ARG CG C 13 29.618 . . 1 . . . . 113 ARG CG . 15651 1 638 . 1 1 113 113 ARG N N 15 120.642 . . 1 . . . . 113 ARG N . 15651 1 639 . 1 1 114 114 LEU H H 1 8.449 . . 1 . . . . 114 LEU HN . 15651 1 640 . 1 1 114 114 LEU HD11 H 1 1.101 . . 1 . . . . 114 LEU HD11 . 15651 1 641 . 1 1 114 114 LEU HD12 H 1 1.101 . . 1 . . . . 114 LEU HD11 . 15651 1 642 . 1 1 114 114 LEU HD13 H 1 1.101 . . 1 . . . . 114 LEU HD11 . 15651 1 643 . 1 1 114 114 LEU HD21 H 1 1.169 . . 1 . . . . 114 LEU HD21 . 15651 1 644 . 1 1 114 114 LEU HD22 H 1 1.169 . . 1 . . . . 114 LEU HD21 . 15651 1 645 . 1 1 114 114 LEU HD23 H 1 1.169 . . 1 . . . . 114 LEU HD21 . 15651 1 646 . 1 1 114 114 LEU C C 13 175.812 . . 1 . . . . 114 LEU C . 15651 1 647 . 1 1 114 114 LEU CA C 13 53.335 . . 1 . . . . 114 LEU CA . 15651 1 648 . 1 1 114 114 LEU CB C 13 45.182 . . 1 . . . . 114 LEU CB . 15651 1 649 . 1 1 114 114 LEU CD1 C 13 24.750 . . 1 . . . . 114 LEU CD1 . 15651 1 650 . 1 1 114 114 LEU CD2 C 13 24.611 . . 1 . . . . 114 LEU CD2 . 15651 1 651 . 1 1 114 114 LEU CG C 13 26.203 . . 1 . . . . 114 LEU CG . 15651 1 652 . 1 1 114 114 LEU N N 15 119.078 . . 1 . . . . 114 LEU N . 15651 1 653 . 1 1 115 115 GLY H H 1 8.232 . . 1 . . . . 115 GLY HN . 15651 1 654 . 1 1 115 115 GLY C C 13 171.343 . . 1 . . . . 115 GLY C . 15651 1 655 . 1 1 115 115 GLY CA C 13 46.217 . . 1 . . . . 115 GLY CA . 15651 1 656 . 1 1 115 115 GLY N N 15 108.966 . . 1 . . . . 115 GLY N . 15651 1 657 . 1 1 116 116 GLY H H 1 8.293 . . 1 . . . . 116 GLY HN . 15651 1 658 . 1 1 116 116 GLY C C 13 169.856 . . 1 . . . . 116 GLY C . 15651 1 659 . 1 1 116 116 GLY CA C 13 44.084 . . 1 . . . . 116 GLY CA . 15651 1 660 . 1 1 116 116 GLY N N 15 109.676 . . 1 . . . . 116 GLY N . 15651 1 661 . 1 1 117 117 MET H H 1 9.286 . . 1 . . . . 117 MET HN . 15651 1 662 . 1 1 117 117 MET C C 13 174.557 . . 1 . . . . 117 MET C . 15651 1 663 . 1 1 117 117 MET CA C 13 53.258 . . 1 . . . . 117 MET CA . 15651 1 664 . 1 1 117 117 MET CB C 13 37.195 . . 1 . . . . 117 MET CB . 15651 1 665 . 1 1 117 117 MET CE C 13 20.853 . . 1 . . . . 117 MET CE . 15651 1 666 . 1 1 117 117 MET CG C 13 30.665 . . 1 . . . . 117 MET CG . 15651 1 667 . 1 1 117 117 MET N N 15 120.425 . . 1 . . . . 117 MET N . 15651 1 668 . 1 1 118 118 VAL H H 1 9.062 . . 1 . . . . 118 VAL HN . 15651 1 669 . 1 1 118 118 VAL HG11 H 1 1.053 . . 1 . . . . 118 VAL HG11 . 15651 1 670 . 1 1 118 118 VAL HG12 H 1 1.053 . . 1 . . . . 118 VAL HG11 . 15651 1 671 . 1 1 118 118 VAL HG13 H 1 1.053 . . 1 . . . . 118 VAL HG11 . 15651 1 672 . 1 1 118 118 VAL HG21 H 1 1.053 . . 1 . . . . 118 VAL HG21 . 15651 1 673 . 1 1 118 118 VAL HG22 H 1 1.053 . . 1 . . . . 118 VAL HG21 . 15651 1 674 . 1 1 118 118 VAL HG23 H 1 1.053 . . 1 . . . . 118 VAL HG21 . 15651 1 675 . 1 1 118 118 VAL C C 13 173.993 . . 1 . . . . 118 VAL C . 15651 1 676 . 1 1 118 118 VAL CA C 13 59.883 . . 1 . . . . 118 VAL CA . 15651 1 677 . 1 1 118 118 VAL CB C 13 31.782 . . 1 . . . . 118 VAL CB . 15651 1 678 . 1 1 118 118 VAL CG1 C 13 19.888 . . 1 . . . . 118 VAL CG1 . 15651 1 679 . 1 1 118 118 VAL CG2 C 13 19.888 . . 1 . . . . 118 VAL CG2 . 15651 1 680 . 1 1 118 118 VAL N N 15 126.948 . . 1 . . . . 118 VAL N . 15651 1 681 . 1 1 119 119 TRP H H 1 8.482 . . 1 . . . . 119 TRP HN . 15651 1 682 . 1 1 119 119 TRP C C 13 174.608 . . 1 . . . . 119 TRP C . 15651 1 683 . 1 1 119 119 TRP CA C 13 53.332 . . 1 . . . . 119 TRP CA . 15651 1 684 . 1 1 119 119 TRP CB C 13 33.569 . . 1 . . . . 119 TRP CB . 15651 1 685 . 1 1 119 119 TRP N N 15 124.631 . . 1 . . . . 119 TRP N . 15651 1 686 . 1 1 120 120 ARG H H 1 9.113 . . 1 . . . . 120 ARG HN . 15651 1 687 . 1 1 120 120 ARG C C 13 174.951 . . 1 . . . . 120 ARG C . 15651 1 688 . 1 1 120 120 ARG CA C 13 54.684 . . 1 . . . . 120 ARG CA . 15651 1 689 . 1 1 120 120 ARG CB C 13 33.424 . . 1 . . . . 120 ARG CB . 15651 1 690 . 1 1 120 120 ARG N N 15 117.899 . . 1 . . . . 120 ARG N . 15651 1 691 . 1 1 121 121 ALA H H 1 9.299 . . 1 . . . . 121 ALA HN . 15651 1 692 . 1 1 121 121 ALA C C 13 175.954 . . 1 . . . . 121 ALA C . 15651 1 693 . 1 1 121 121 ALA CA C 13 50.368 . . 1 . . . . 121 ALA CA . 15651 1 694 . 1 1 121 121 ALA CB C 13 21.141 . . 1 . . . . 121 ALA CB . 15651 1 695 . 1 1 121 121 ALA N N 15 128.863 . . 1 . . . . 121 ALA N . 15651 1 696 . 1 1 122 122 ASP H H 1 8.488 . . 1 . . . . 122 ASP HN . 15651 1 697 . 1 1 122 122 ASP C C 13 175.635 . . 1 . . . . 122 ASP C . 15651 1 698 . 1 1 122 122 ASP CA C 13 53.891 . . 1 . . . . 122 ASP CA . 15651 1 699 . 1 1 122 122 ASP CB C 13 42.492 . . 1 . . . . 122 ASP CB . 15651 1 700 . 1 1 122 122 ASP N N 15 121.721 . . 1 . . . . 122 ASP N . 15651 1 701 . 1 1 123 123 SER H H 1 8.466 . . 1 . . . . 123 SER HN . 15651 1 702 . 1 1 123 123 SER C C 13 174.325 . . 1 . . . . 123 SER C . 15651 1 703 . 1 1 123 123 SER CA C 13 57.325 . . 1 . . . . 123 SER CA . 15651 1 704 . 1 1 123 123 SER CB C 13 63.988 . . 1 . . . . 123 SER CB . 15651 1 705 . 1 1 123 123 SER N N 15 117.374 . . 1 . . . . 123 SER N . 15651 1 706 . 1 1 124 124 LYS H H 1 8.389 . . 1 . . . . 124 LYS HN . 15651 1 707 . 1 1 124 124 LYS C C 13 176.840 . . 1 . . . . 124 LYS C . 15651 1 708 . 1 1 124 124 LYS CA C 13 56.036 . . 1 . . . . 124 LYS CA . 15651 1 709 . 1 1 124 124 LYS CB C 13 32.397 . . 1 . . . . 124 LYS CB . 15651 1 710 . 1 1 124 124 LYS CG C 13 23.554 . . 1 . . . . 124 LYS CG . 15651 1 711 . 1 1 124 124 LYS N N 15 122.883 . . 1 . . . . 124 LYS N . 15651 1 712 . 1 1 125 125 GLY H H 1 8.281 . . 1 . . . . 125 GLY HN . 15651 1 713 . 1 1 125 125 GLY C C 13 173.592 . . 1 . . . . 125 GLY C . 15651 1 714 . 1 1 125 125 GLY CA C 13 44.924 . . 1 . . . . 125 GLY CA . 15651 1 715 . 1 1 125 125 GLY N N 15 109.541 . . 1 . . . . 125 GLY N . 15651 1 716 . 1 1 126 126 ASN H H 1 8.185 . . 1 . . . . 126 ASN HN . 15651 1 717 . 1 1 126 126 ASN C C 13 176.649 . . 1 . . . . 126 ASN C . 15651 1 718 . 1 1 126 126 ASN CA C 13 52.763 . . 1 . . . . 126 ASN CA . 15651 1 719 . 1 1 126 126 ASN CB C 13 38.439 . . 1 . . . . 126 ASN CB . 15651 1 720 . 1 1 126 126 ASN N N 15 119.019 . . 1 . . . . 126 ASN N . 15651 1 721 . 1 1 127 127 TYR C C 13 176.913 . . 1 . . . . 127 TYR C . 15651 1 722 . 1 1 127 127 TYR CA C 13 57.757 . . 1 . . . . 127 TYR CA . 15651 1 723 . 1 1 127 127 TYR CB C 13 37.703 . . 1 . . . . 127 TYR CB . 15651 1 724 . 1 1 128 128 ALA H H 1 8.050 . . 1 . . . . 128 ALA HN . 15651 1 725 . 1 1 128 128 ALA HB1 H 1 1.454 . . 1 . . . . 128 ALA HB1 . 15651 1 726 . 1 1 128 128 ALA HB2 H 1 1.454 . . 1 . . . . 128 ALA HB1 . 15651 1 727 . 1 1 128 128 ALA HB3 H 1 1.454 . . 1 . . . . 128 ALA HB1 . 15651 1 728 . 1 1 128 128 ALA C C 13 177.756 . . 1 . . . . 128 ALA C . 15651 1 729 . 1 1 128 128 ALA CA C 13 52.321 . . 1 . . . . 128 ALA CA . 15651 1 730 . 1 1 128 128 ALA CB C 13 18.273 . . 1 . . . . 128 ALA CB . 15651 1 731 . 1 1 128 128 ALA N N 15 124.529 . . 1 . . . . 128 ALA N . 15651 1 732 . 1 1 129 129 SER H H 1 8.063 . . 1 . . . . 129 SER HN . 15651 1 733 . 1 1 129 129 SER C C 13 174.938 . . 1 . . . . 129 SER C . 15651 1 734 . 1 1 129 129 SER CA C 13 58.202 . . 1 . . . . 129 SER CA . 15651 1 735 . 1 1 129 129 SER CB C 13 62.974 . . 1 . . . . 129 SER CB . 15651 1 736 . 1 1 129 129 SER N N 15 114.374 . . 1 . . . . 129 SER N . 15651 1 737 . 1 1 130 130 THR H H 1 7.875 . . 1 . . . . 130 THR HN . 15651 1 738 . 1 1 130 130 THR HG21 H 1 1.296 . . 1 . . . . 130 THR HG21 . 15651 1 739 . 1 1 130 130 THR HG22 H 1 1.296 . . 1 . . . . 130 THR HG21 . 15651 1 740 . 1 1 130 130 THR HG23 H 1 1.296 . . 1 . . . . 130 THR HG21 . 15651 1 741 . 1 1 130 130 THR C C 13 175.198 . . 1 . . . . 130 THR C . 15651 1 742 . 1 1 130 130 THR CA C 13 61.520 . . 1 . . . . 130 THR CA . 15651 1 743 . 1 1 130 130 THR CB C 13 69.312 . . 1 . . . . 130 THR CB . 15651 1 744 . 1 1 130 130 THR CG2 C 13 20.695 . . 1 . . . . 130 THR CG2 . 15651 1 745 . 1 1 130 130 THR N N 15 113.608 . . 1 . . . . 130 THR N . 15651 1 746 . 1 1 131 131 GLY H H 1 8.219 . . 1 . . . . 131 GLY HN . 15651 1 747 . 1 1 131 131 GLY C C 13 173.979 . . 1 . . . . 131 GLY C . 15651 1 748 . 1 1 131 131 GLY CA C 13 44.991 . . 1 . . . . 131 GLY CA . 15651 1 749 . 1 1 131 131 GLY N N 15 110.848 . . 1 . . . . 131 GLY N . 15651 1 750 . 1 1 132 132 VAL H H 1 7.729 . . 1 . . . . 132 VAL HN . 15651 1 751 . 1 1 132 132 VAL HG11 H 1 1.016 . . 1 . . . . 132 VAL HG11 . 15651 1 752 . 1 1 132 132 VAL HG12 H 1 1.016 . . 1 . . . . 132 VAL HG11 . 15651 1 753 . 1 1 132 132 VAL HG13 H 1 1.016 . . 1 . . . . 132 VAL HG11 . 15651 1 754 . 1 1 132 132 VAL HG21 H 1 1.005 . . 1 . . . . 132 VAL HG21 . 15651 1 755 . 1 1 132 132 VAL HG22 H 1 1.005 . . 1 . . . . 132 VAL HG21 . 15651 1 756 . 1 1 132 132 VAL HG23 H 1 1.005 . . 1 . . . . 132 VAL HG21 . 15651 1 757 . 1 1 132 132 VAL C C 13 175.988 . . 1 . . . . 132 VAL C . 15651 1 758 . 1 1 132 132 VAL CA C 13 61.643 . . 1 . . . . 132 VAL CA . 15651 1 759 . 1 1 132 132 VAL CB C 13 31.941 . . 1 . . . . 132 VAL CB . 15651 1 760 . 1 1 132 132 VAL CG1 C 13 19.997 . . 1 . . . . 132 VAL CG1 . 15651 1 761 . 1 1 132 132 VAL CG2 C 13 19.223 . . 1 . . . . 132 VAL CG2 . 15651 1 762 . 1 1 132 132 VAL N N 15 118.932 . . 1 . . . . 132 VAL N . 15651 1 763 . 1 1 133 133 SER H H 1 8.224 . . 1 . . . . 133 SER HN . 15651 1 764 . 1 1 133 133 SER C C 13 174.320 . . 1 . . . . 133 SER C . 15651 1 765 . 1 1 133 133 SER CA C 13 57.756 . . 1 . . . . 133 SER CA . 15651 1 766 . 1 1 133 133 SER CB C 13 63.140 . . 1 . . . . 133 SER CB . 15651 1 767 . 1 1 133 133 SER N N 15 119.260 . . 1 . . . . 133 SER N . 15651 1 768 . 1 1 134 134 ARG H H 1 8.199 . . 1 . . . . 134 ARG HN . 15651 1 769 . 1 1 134 134 ARG C C 13 175.923 . . 1 . . . . 134 ARG C . 15651 1 770 . 1 1 134 134 ARG CA C 13 55.461 . . 1 . . . . 134 ARG CA . 15651 1 771 . 1 1 134 134 ARG CB C 13 30.195 . . 1 . . . . 134 ARG CB . 15651 1 772 . 1 1 134 134 ARG CD C 13 42.438 . . 1 . . . . 134 ARG CD . 15651 1 773 . 1 1 134 134 ARG CG C 13 26.021 . . 1 . . . . 134 ARG CG . 15651 1 774 . 1 1 134 134 ARG N N 15 123.262 . . 1 . . . . 134 ARG N . 15651 1 775 . 1 1 135 135 SER H H 1 8.256 . . 1 . . . . 135 SER HN . 15651 1 776 . 1 1 135 135 SER C C 13 174.360 . . 1 . . . . 135 SER C . 15651 1 777 . 1 1 135 135 SER CA C 13 57.730 . . 1 . . . . 135 SER CA . 15651 1 778 . 1 1 135 135 SER CB C 13 63.275 . . 1 . . . . 135 SER CB . 15651 1 779 . 1 1 135 135 SER N N 15 117.155 . . 1 . . . . 135 SER N . 15651 1 780 . 1 1 136 136 GLU H H 1 8.374 . . 1 . . . . 136 GLU HN . 15651 1 781 . 1 1 136 136 GLU C C 13 176.284 . . 1 . . . . 136 GLU C . 15651 1 782 . 1 1 136 136 GLU CA C 13 56.082 . . 1 . . . . 136 GLU CA . 15651 1 783 . 1 1 136 136 GLU CB C 13 29.820 . . 1 . . . . 136 GLU CB . 15651 1 784 . 1 1 136 136 GLU CG C 13 35.378 . . 1 . . . . 136 GLU CG . 15651 1 785 . 1 1 136 136 GLU N N 15 122.812 . . 1 . . . . 136 GLU N . 15651 1 786 . 1 1 137 137 HIS H H 1 8.118 . . 1 . . . . 137 HIS HN . 15651 1 787 . 1 1 137 137 HIS C C 13 173.529 . . 1 . . . . 137 HIS C . 15651 1 788 . 1 1 137 137 HIS CA C 13 54.793 . . 1 . . . . 137 HIS CA . 15651 1 789 . 1 1 137 137 HIS CB C 13 30.191 . . 1 . . . . 137 HIS CB . 15651 1 790 . 1 1 137 137 HIS N N 15 118.002 . . 1 . . . . 137 HIS N . 15651 1 791 . 1 1 138 138 ASP H H 1 8.572 . . 1 . . . . 138 ASP HN . 15651 1 792 . 1 1 138 138 ASP C C 13 174.940 . . 1 . . . . 138 ASP C . 15651 1 793 . 1 1 138 138 ASP CA C 13 53.594 . . 1 . . . . 138 ASP CA . 15651 1 794 . 1 1 138 138 ASP CB C 13 42.165 . . 1 . . . . 138 ASP CB . 15651 1 795 . 1 1 138 138 ASP N N 15 121.536 . . 1 . . . . 138 ASP N . 15651 1 796 . 1 1 139 139 THR H H 1 7.857 . . 1 . . . . 139 THR HN . 15651 1 797 . 1 1 139 139 THR C C 13 172.822 . . 1 . . . . 139 THR C . 15651 1 798 . 1 1 139 139 THR CA C 13 59.197 . . 1 . . . . 139 THR CA . 15651 1 799 . 1 1 139 139 THR CB C 13 71.457 . . 1 . . . . 139 THR CB . 15651 1 800 . 1 1 139 139 THR CG2 C 13 20.602 . . 1 . . . . 139 THR CG2 . 15651 1 801 . 1 1 139 139 THR N N 15 113.598 . . 1 . . . . 139 THR N . 15651 1 802 . 1 1 140 140 GLY C C 13 169.622 . . 1 . . . . 140 GLY C . 15651 1 803 . 1 1 140 140 GLY CA C 13 44.287 . . 1 . . . . 140 GLY CA . 15651 1 804 . 1 1 141 141 VAL H H 1 7.815 . . 1 . . . . 141 VAL HN . 15651 1 805 . 1 1 141 141 VAL HG11 H 1 0.976 . . 1 . . . . 141 VAL HG11 . 15651 1 806 . 1 1 141 141 VAL HG12 H 1 0.976 . . 1 . . . . 141 VAL HG11 . 15651 1 807 . 1 1 141 141 VAL HG13 H 1 0.976 . . 1 . . . . 141 VAL HG11 . 15651 1 808 . 1 1 141 141 VAL HG21 H 1 0.976 . . 1 . . . . 141 VAL HG21 . 15651 1 809 . 1 1 141 141 VAL HG22 H 1 0.976 . . 1 . . . . 141 VAL HG21 . 15651 1 810 . 1 1 141 141 VAL HG23 H 1 0.976 . . 1 . . . . 141 VAL HG21 . 15651 1 811 . 1 1 141 141 VAL C C 13 176.038 . . 1 . . . . 141 VAL C . 15651 1 812 . 1 1 141 141 VAL CA C 13 59.739 . . 1 . . . . 141 VAL CA . 15651 1 813 . 1 1 141 141 VAL CB C 13 33.308 . . 1 . . . . 141 VAL CB . 15651 1 814 . 1 1 141 141 VAL CG1 C 13 19.997 . . 1 . . . . 141 VAL CG1 . 15651 1 815 . 1 1 141 141 VAL CG2 C 13 19.997 . . 1 . . . . 141 VAL CG2 . 15651 1 816 . 1 1 141 141 VAL N N 15 116.224 . . 1 . . . . 141 VAL N . 15651 1 817 . 1 1 142 142 SER H H 1 9.284 . . 1 . . . . 142 SER HN . 15651 1 818 . 1 1 142 142 SER C C 13 171.050 . . 1 . . . . 142 SER C . 15651 1 819 . 1 1 142 142 SER CB C 13 67.608 . . 1 . . . . 142 SER CB . 15651 1 820 . 1 1 142 142 SER N N 15 123.223 . . 1 . . . . 142 SER N . 15651 1 821 . 1 1 143 143 PRO C C 13 174.032 . . 1 . . . . 143 PRO C . 15651 1 822 . 1 1 143 143 PRO CA C 13 62.350 . . 1 . . . . 143 PRO CA . 15651 1 823 . 1 1 143 143 PRO CB C 13 31.774 . . 1 . . . . 143 PRO CB . 15651 1 824 . 1 1 143 143 PRO CG C 13 26.648 . . 1 . . . . 143 PRO CG . 15651 1 825 . 1 1 144 144 VAL H H 1 7.785 . . 1 . . . . 144 VAL HN . 15651 1 826 . 1 1 144 144 VAL HG11 H 1 0.619 . . 1 . . . . 144 VAL HG11 . 15651 1 827 . 1 1 144 144 VAL HG12 H 1 0.619 . . 1 . . . . 144 VAL HG11 . 15651 1 828 . 1 1 144 144 VAL HG13 H 1 0.619 . . 1 . . . . 144 VAL HG11 . 15651 1 829 . 1 1 144 144 VAL HG21 H 1 0.734 . . 1 . . . . 144 VAL HG21 . 15651 1 830 . 1 1 144 144 VAL HG22 H 1 0.734 . . 1 . . . . 144 VAL HG21 . 15651 1 831 . 1 1 144 144 VAL HG23 H 1 0.734 . . 1 . . . . 144 VAL HG21 . 15651 1 832 . 1 1 144 144 VAL C C 13 172.826 . . 1 . . . . 144 VAL C . 15651 1 833 . 1 1 144 144 VAL CA C 13 59.770 . . 1 . . . . 144 VAL CA . 15651 1 834 . 1 1 144 144 VAL CB C 13 34.407 . . 1 . . . . 144 VAL CB . 15651 1 835 . 1 1 144 144 VAL CG1 C 13 18.854 . . 1 . . . . 144 VAL CG1 . 15651 1 836 . 1 1 144 144 VAL CG2 C 13 21.253 . . 1 . . . . 144 VAL CG2 . 15651 1 837 . 1 1 144 144 VAL N N 15 120.214 . . 1 . . . . 144 VAL N . 15651 1 838 . 1 1 145 145 PHE H H 1 8.623 . . 1 . . . . 145 PHE HN . 15651 1 839 . 1 1 145 145 PHE C C 13 173.658 . . 1 . . . . 145 PHE C . 15651 1 840 . 1 1 145 145 PHE CA C 13 54.942 . . 1 . . . . 145 PHE CA . 15651 1 841 . 1 1 145 145 PHE CB C 13 42.692 . . 1 . . . . 145 PHE CB . 15651 1 842 . 1 1 145 145 PHE N N 15 123.914 . . 1 . . . . 145 PHE N . 15651 1 843 . 1 1 146 146 ALA H H 1 8.886 . . 1 . . . . 146 ALA HN . 15651 1 844 . 1 1 146 146 ALA C C 13 176.258 . . 1 . . . . 146 ALA C . 15651 1 845 . 1 1 146 146 ALA CA C 13 49.734 . . 1 . . . . 146 ALA CA . 15651 1 846 . 1 1 146 146 ALA CB C 13 22.244 . . 1 . . . . 146 ALA CB . 15651 1 847 . 1 1 146 146 ALA N N 15 125.243 . . 1 . . . . 146 ALA N . 15651 1 848 . 1 1 147 147 GLY H H 1 8.470 . . 1 . . . . 147 GLY HN . 15651 1 849 . 1 1 147 147 GLY C C 13 170.940 . . 1 . . . . 147 GLY C . 15651 1 850 . 1 1 147 147 GLY CA C 13 44.063 . . 1 . . . . 147 GLY CA . 15651 1 851 . 1 1 147 147 GLY N N 15 106.669 . . 1 . . . . 147 GLY N . 15651 1 852 . 1 1 148 148 GLY H H 1 8.008 . . 1 . . . . 148 GLY HN . 15651 1 853 . 1 1 148 148 GLY C C 13 170.181 . . 1 . . . . 148 GLY C . 15651 1 854 . 1 1 148 148 GLY CA C 13 45.736 . . 1 . . . . 148 GLY CA . 15651 1 855 . 1 1 148 148 GLY N N 15 109.475 . . 1 . . . . 148 GLY N . 15651 1 856 . 1 1 149 149 VAL H H 1 8.426 . . 1 . . . . 149 VAL HN . 15651 1 857 . 1 1 149 149 VAL HG11 H 1 1.026 . . 1 . . . . 149 VAL HG11 . 15651 1 858 . 1 1 149 149 VAL HG12 H 1 1.026 . . 1 . . . . 149 VAL HG11 . 15651 1 859 . 1 1 149 149 VAL HG13 H 1 1.026 . . 1 . . . . 149 VAL HG11 . 15651 1 860 . 1 1 149 149 VAL HG21 H 1 1.040 . . 1 . . . . 149 VAL HG21 . 15651 1 861 . 1 1 149 149 VAL HG22 H 1 1.040 . . 1 . . . . 149 VAL HG21 . 15651 1 862 . 1 1 149 149 VAL HG23 H 1 1.040 . . 1 . . . . 149 VAL HG21 . 15651 1 863 . 1 1 149 149 VAL C C 13 174.157 . . 1 . . . . 149 VAL C . 15651 1 864 . 1 1 149 149 VAL CA C 13 58.200 . . 1 . . . . 149 VAL CA . 15651 1 865 . 1 1 149 149 VAL CB C 13 34.464 . . 1 . . . . 149 VAL CB . 15651 1 866 . 1 1 149 149 VAL CG1 C 13 20.458 . . 1 . . . . 149 VAL CG1 . 15651 1 867 . 1 1 149 149 VAL CG2 C 13 19.033 . . 1 . . . . 149 VAL CG2 . 15651 1 868 . 1 1 149 149 VAL N N 15 112.651 . . 1 . . . . 149 VAL N . 15651 1 869 . 1 1 150 150 GLU H H 1 9.070 . . 1 . . . . 150 GLU HN . 15651 1 870 . 1 1 150 150 GLU C C 13 173.892 . . 1 . . . . 150 GLU C . 15651 1 871 . 1 1 150 150 GLU CA C 13 54.617 . . 1 . . . . 150 GLU CA . 15651 1 872 . 1 1 150 150 GLU CB C 13 32.911 . . 1 . . . . 150 GLU CB . 15651 1 873 . 1 1 150 150 GLU CG C 13 37.250 . . 1 . . . . 150 GLU CG . 15651 1 874 . 1 1 150 150 GLU N N 15 124.471 . . 1 . . . . 150 GLU N . 15651 1 875 . 1 1 151 151 TRP H H 1 9.461 . . 1 . . . . 151 TRP HN . 15651 1 876 . 1 1 151 151 TRP HE1 H 1 9.767 . . 1 . . . . 151 TRP HE1 . 15651 1 877 . 1 1 151 151 TRP C C 13 174.370 . . 1 . . . . 151 TRP C . 15651 1 878 . 1 1 151 151 TRP CA C 13 54.113 . . 1 . . . . 151 TRP CA . 15651 1 879 . 1 1 151 151 TRP CB C 13 31.688 . . 1 . . . . 151 TRP CB . 15651 1 880 . 1 1 151 151 TRP N N 15 129.611 . . 1 . . . . 151 TRP N . 15651 1 881 . 1 1 151 151 TRP NE1 N 15 128.720 . . 1 . . . . 151 TRP NE1 . 15651 1 882 . 1 1 152 152 ALA H H 1 8.771 . . 1 . . . . 152 ALA HN . 15651 1 883 . 1 1 152 152 ALA C C 13 175.079 . . 1 . . . . 152 ALA C . 15651 1 884 . 1 1 152 152 ALA CA C 13 51.417 . . 1 . . . . 152 ALA CA . 15651 1 885 . 1 1 152 152 ALA CB C 13 17.209 . . 1 . . . . 152 ALA CB . 15651 1 886 . 1 1 152 152 ALA N N 15 130.502 . . 1 . . . . 152 ALA N . 15651 1 887 . 1 1 153 153 VAL H H 1 7.893 . . 1 . . . . 153 VAL HN . 15651 1 888 . 1 1 153 153 VAL HG11 H 1 0.761 . . 1 . . . . 153 VAL HG11 . 15651 1 889 . 1 1 153 153 VAL HG12 H 1 0.761 . . 1 . . . . 153 VAL HG11 . 15651 1 890 . 1 1 153 153 VAL HG13 H 1 0.761 . . 1 . . . . 153 VAL HG11 . 15651 1 891 . 1 1 153 153 VAL HG21 H 1 0.610 . . 1 . . . . 153 VAL HG21 . 15651 1 892 . 1 1 153 153 VAL HG22 H 1 0.610 . . 1 . . . . 153 VAL HG21 . 15651 1 893 . 1 1 153 153 VAL HG23 H 1 0.610 . . 1 . . . . 153 VAL HG21 . 15651 1 894 . 1 1 153 153 VAL C C 13 176.612 . . 1 . . . . 153 VAL C . 15651 1 895 . 1 1 153 153 VAL CA C 13 63.600 . . 1 . . . . 153 VAL CA . 15651 1 896 . 1 1 153 153 VAL CB C 13 31.280 . . 1 . . . . 153 VAL CB . 15651 1 897 . 1 1 153 153 VAL CG1 C 13 20.141 . . 1 . . . . 153 VAL CG1 . 15651 1 898 . 1 1 153 153 VAL CG2 C 13 19.991 . . 1 . . . . 153 VAL CG2 . 15651 1 899 . 1 1 153 153 VAL N N 15 124.360 . . 1 . . . . 153 VAL N . 15651 1 900 . 1 1 154 154 THR H H 1 7.950 . . 1 . . . . 154 THR HN . 15651 1 901 . 1 1 154 154 THR HG21 H 1 1.240 . . 1 . . . . 154 THR HG21 . 15651 1 902 . 1 1 154 154 THR HG22 H 1 1.240 . . 1 . . . . 154 THR HG21 . 15651 1 903 . 1 1 154 154 THR HG23 H 1 1.240 . . 1 . . . . 154 THR HG21 . 15651 1 904 . 1 1 154 154 THR C C 13 173.884 . . 1 . . . . 154 THR C . 15651 1 905 . 1 1 154 154 THR CA C 13 58.655 . . 1 . . . . 154 THR CA . 15651 1 906 . 1 1 154 154 THR CB C 13 71.262 . . 1 . . . . 154 THR CB . 15651 1 907 . 1 1 154 154 THR CG2 C 13 21.572 . . 1 . . . . 154 THR CG2 . 15651 1 908 . 1 1 154 154 THR N N 15 109.176 . . 1 . . . . 154 THR N . 15651 1 909 . 1 1 155 155 ARG H H 1 8.310 . . 1 . . . . 155 ARG HN . 15651 1 910 . 1 1 155 155 ARG C C 13 176.753 . . 1 . . . . 155 ARG C . 15651 1 911 . 1 1 155 155 ARG CA C 13 58.456 . . 1 . . . . 155 ARG CA . 15651 1 912 . 1 1 155 155 ARG CB C 13 29.043 . . 1 . . . . 155 ARG CB . 15651 1 913 . 1 1 155 155 ARG CD C 13 42.433 . . 1 . . . . 155 ARG CD . 15651 1 914 . 1 1 155 155 ARG CG C 13 25.381 . . 1 . . . . 155 ARG CG . 15651 1 915 . 1 1 155 155 ARG N N 15 116.576 . . 1 . . . . 155 ARG N . 15651 1 916 . 1 1 156 156 ASP H H 1 7.783 . . 1 . . . . 156 ASP HN . 15651 1 917 . 1 1 156 156 ASP C C 13 174.222 . . 1 . . . . 156 ASP C . 15651 1 918 . 1 1 156 156 ASP CA C 13 53.540 . . 1 . . . . 156 ASP CA . 15651 1 919 . 1 1 156 156 ASP CB C 13 42.327 . . 1 . . . . 156 ASP CB . 15651 1 920 . 1 1 156 156 ASP N N 15 112.950 . . 1 . . . . 156 ASP N . 15651 1 921 . 1 1 157 157 ILE H H 1 7.233 . . 1 . . . . 157 ILE HN . 15651 1 922 . 1 1 157 157 ILE HD11 H 1 0.941 . . 1 . . . . 157 ILE HD11 . 15651 1 923 . 1 1 157 157 ILE HD12 H 1 0.941 . . 1 . . . . 157 ILE HD11 . 15651 1 924 . 1 1 157 157 ILE HD13 H 1 0.941 . . 1 . . . . 157 ILE HD11 . 15651 1 925 . 1 1 157 157 ILE C C 13 174.178 . . 1 . . . . 157 ILE C . 15651 1 926 . 1 1 157 157 ILE CA C 13 59.350 . . 1 . . . . 157 ILE CA . 15651 1 927 . 1 1 157 157 ILE CB C 13 38.969 . . 1 . . . . 157 ILE CB . 15651 1 928 . 1 1 157 157 ILE CD1 C 13 12.001 . . 1 . . . . 157 ILE CD1 . 15651 1 929 . 1 1 157 157 ILE CG2 C 13 16.077 . . 1 . . . . 157 ILE CG2 . 15651 1 930 . 1 1 157 157 ILE N N 15 119.732 . . 1 . . . . 157 ILE N . 15651 1 931 . 1 1 158 158 ALA H H 1 8.729 . . 1 . . . . 158 ALA HN . 15651 1 932 . 1 1 158 158 ALA C C 13 176.567 . . 1 . . . . 158 ALA C . 15651 1 933 . 1 1 158 158 ALA CA C 13 49.418 . . 1 . . . . 158 ALA CA . 15651 1 934 . 1 1 158 158 ALA CB C 13 21.430 . . 1 . . . . 158 ALA CB . 15651 1 935 . 1 1 158 158 ALA N N 15 128.564 . . 1 . . . . 158 ALA N . 15651 1 936 . 1 1 159 159 THR H H 1 8.972 . . 1 . . . . 159 THR HN . 15651 1 937 . 1 1 159 159 THR HG21 H 1 1.243 . . 1 . . . . 159 THR HG21 . 15651 1 938 . 1 1 159 159 THR HG22 H 1 1.243 . . 1 . . . . 159 THR HG21 . 15651 1 939 . 1 1 159 159 THR HG23 H 1 1.243 . . 1 . . . . 159 THR HG21 . 15651 1 940 . 1 1 159 159 THR C C 13 172.213 . . 1 . . . . 159 THR C . 15651 1 941 . 1 1 159 159 THR CA C 13 59.504 . . 1 . . . . 159 THR CA . 15651 1 942 . 1 1 159 159 THR CB C 13 70.728 . . 1 . . . . 159 THR CB . 15651 1 943 . 1 1 159 159 THR CG2 C 13 20.709 . . 1 . . . . 159 THR CG2 . 15651 1 944 . 1 1 159 159 THR N N 15 114.901 . . 1 . . . . 159 THR N . 15651 1 945 . 1 1 160 160 ARG H H 1 8.924 . . 1 . . . . 160 ARG HN . 15651 1 946 . 1 1 160 160 ARG C C 13 174.097 . . 1 . . . . 160 ARG C . 15651 1 947 . 1 1 160 160 ARG CA C 13 53.066 . . 1 . . . . 160 ARG CA . 15651 1 948 . 1 1 160 160 ARG CB C 13 32.922 . . 1 . . . . 160 ARG CB . 15651 1 949 . 1 1 160 160 ARG CD C 13 42.472 . . 1 . . . . 160 ARG CD . 15651 1 950 . 1 1 160 160 ARG CG C 13 23.378 . . 1 . . . . 160 ARG CG . 15651 1 951 . 1 1 160 160 ARG N N 15 121.507 . . 1 . . . . 160 ARG N . 15651 1 952 . 1 1 161 161 LEU H H 1 8.611 . . 1 . . . . 161 LEU HN . 15651 1 953 . 1 1 161 161 LEU HD11 H 1 1.077 . . 1 . . . . 161 LEU HD11 . 15651 1 954 . 1 1 161 161 LEU HD12 H 1 1.077 . . 1 . . . . 161 LEU HD11 . 15651 1 955 . 1 1 161 161 LEU HD13 H 1 1.077 . . 1 . . . . 161 LEU HD11 . 15651 1 956 . 1 1 161 161 LEU HD21 H 1 0.993 . . 1 . . . . 161 LEU HD21 . 15651 1 957 . 1 1 161 161 LEU HD22 H 1 0.993 . . 1 . . . . 161 LEU HD21 . 15651 1 958 . 1 1 161 161 LEU HD23 H 1 0.993 . . 1 . . . . 161 LEU HD21 . 15651 1 959 . 1 1 161 161 LEU C C 13 174.389 . . 1 . . . . 161 LEU C . 15651 1 960 . 1 1 161 161 LEU CA C 13 53.355 . . 1 . . . . 161 LEU CA . 15651 1 961 . 1 1 161 161 LEU CB C 13 44.360 . . 1 . . . . 161 LEU CB . 15651 1 962 . 1 1 161 161 LEU CD1 C 13 22.865 . . 1 . . . . 161 LEU CD1 . 15651 1 963 . 1 1 161 161 LEU CD2 C 13 24.797 . . 1 . . . . 161 LEU CD2 . 15651 1 964 . 1 1 161 161 LEU N N 15 124.711 . . 1 . . . . 161 LEU N . 15651 1 965 . 1 1 162 162 GLU H H 1 8.746 . . 1 . . . . 162 GLU HN . 15651 1 966 . 1 1 162 162 GLU C C 13 173.376 . . 1 . . . . 162 GLU C . 15651 1 967 . 1 1 162 162 GLU CA C 13 53.904 . . 1 . . . . 162 GLU CA . 15651 1 968 . 1 1 162 162 GLU CB C 13 33.773 . . 1 . . . . 162 GLU CB . 15651 1 969 . 1 1 162 162 GLU CG C 13 36.606 . . 1 . . . . 162 GLU CG . 15651 1 970 . 1 1 162 162 GLU N N 15 122.300 . . 1 . . . . 162 GLU N . 15651 1 971 . 1 1 163 163 TYR H H 1 8.872 . . 1 . . . . 163 TYR HN . 15651 1 972 . 1 1 163 163 TYR C C 13 173.425 . . 1 . . . . 163 TYR C . 15651 1 973 . 1 1 163 163 TYR CA C 13 56.192 . . 1 . . . . 163 TYR CA . 15651 1 974 . 1 1 163 163 TYR CB C 13 40.870 . . 1 . . . . 163 TYR CB . 15651 1 975 . 1 1 163 163 TYR N N 15 124.618 . . 1 . . . . 163 TYR N . 15651 1 976 . 1 1 171 171 ASP C C 13 175.753 . . 1 . . . . 171 ASP C . 15651 1 977 . 1 1 171 171 ASP CA C 13 53.517 . . 1 . . . . 171 ASP CA . 15651 1 978 . 1 1 171 171 ASP CB C 13 41.353 . . 1 . . . . 171 ASP CB . 15651 1 979 . 1 1 172 172 ALA H H 1 8.336 . . 1 . . . . 172 ALA HN . 15651 1 980 . 1 1 172 172 ALA HB1 H 1 1.364 . . 1 . . . . 172 ALA HB1 . 15651 1 981 . 1 1 172 172 ALA HB2 H 1 1.364 . . 1 . . . . 172 ALA HB1 . 15651 1 982 . 1 1 172 172 ALA HB3 H 1 1.364 . . 1 . . . . 172 ALA HB1 . 15651 1 983 . 1 1 172 172 ALA C C 13 178.110 . . 1 . . . . 172 ALA C . 15651 1 984 . 1 1 172 172 ALA CA C 13 52.190 . . 1 . . . . 172 ALA CA . 15651 1 985 . 1 1 172 172 ALA CB C 13 18.305 . . 1 . . . . 172 ALA CB . 15651 1 986 . 1 1 172 172 ALA N N 15 125.294 . . 1 . . . . 172 ALA N . 15651 1 987 . 1 1 173 173 GLY H H 1 8.300 . . 1 . . . . 173 GLY HN . 15651 1 988 . 1 1 173 173 GLY C C 13 174.437 . . 1 . . . . 173 GLY C . 15651 1 989 . 1 1 173 173 GLY CA C 13 45.083 . . 1 . . . . 173 GLY CA . 15651 1 990 . 1 1 173 173 GLY N N 15 107.268 . . 1 . . . . 173 GLY N . 15651 1 991 . 1 1 174 174 THR H H 1 7.754 . . 1 . . . . 174 THR HN . 15651 1 992 . 1 1 174 174 THR C C 13 174.738 . . 1 . . . . 174 THR C . 15651 1 993 . 1 1 174 174 THR CA C 13 61.310 . . 1 . . . . 174 THR CA . 15651 1 994 . 1 1 174 174 THR CB C 13 69.310 . . 1 . . . . 174 THR CB . 15651 1 995 . 1 1 174 174 THR CG2 C 13 20.393 . . 1 . . . . 174 THR CG2 . 15651 1 996 . 1 1 174 174 THR N N 15 113.472 . . 1 . . . . 174 THR N . 15651 1 997 . 1 1 175 175 VAL H H 1 7.993 . . 1 . . . . 175 VAL HN . 15651 1 998 . 1 1 175 175 VAL HG11 H 1 1.020 . . 1 . . . . 175 VAL HG11 . 15651 1 999 . 1 1 175 175 VAL HG12 H 1 1.020 . . 1 . . . . 175 VAL HG11 . 15651 1 1000 . 1 1 175 175 VAL HG13 H 1 1.020 . . 1 . . . . 175 VAL HG11 . 15651 1 1001 . 1 1 175 175 VAL HG21 H 1 1.025 . . 1 . . . . 175 VAL HG21 . 15651 1 1002 . 1 1 175 175 VAL HG22 H 1 1.025 . . 1 . . . . 175 VAL HG21 . 15651 1 1003 . 1 1 175 175 VAL HG23 H 1 1.025 . . 1 . . . . 175 VAL HG21 . 15651 1 1004 . 1 1 175 175 VAL C C 13 176.535 . . 1 . . . . 175 VAL C . 15651 1 1005 . 1 1 175 175 VAL CA C 13 62.126 . . 1 . . . . 175 VAL CA . 15651 1 1006 . 1 1 175 175 VAL CB C 13 31.282 . . 1 . . . . 175 VAL CB . 15651 1 1007 . 1 1 175 175 VAL CG1 C 13 19.998 . . 1 . . . . 175 VAL CG1 . 15651 1 1008 . 1 1 175 175 VAL CG2 C 13 19.415 . . 1 . . . . 175 VAL CG2 . 15651 1 1009 . 1 1 175 175 VAL N N 15 121.643 . . 1 . . . . 175 VAL N . 15651 1 1010 . 1 1 176 176 GLY H H 1 8.056 . . 1 . . . . 176 GLY HN . 15651 1 1011 . 1 1 176 176 GLY C C 13 173.930 . . 1 . . . . 176 GLY C . 15651 1 1012 . 1 1 176 176 GLY CA C 13 44.983 . . 1 . . . . 176 GLY CA . 15651 1 1013 . 1 1 176 176 GLY N N 15 110.460 . . 1 . . . . 176 GLY N . 15651 1 1014 . 1 1 177 177 THR H H 1 7.520 . . 1 . . . . 177 THR HN . 15651 1 1015 . 1 1 177 177 THR C C 13 173.574 . . 1 . . . . 177 THR C . 15651 1 1016 . 1 1 177 177 THR CA C 13 60.609 . . 1 . . . . 177 THR CA . 15651 1 1017 . 1 1 177 177 THR CB C 13 69.506 . . 1 . . . . 177 THR CB . 15651 1 1018 . 1 1 177 177 THR CG2 C 13 20.680 . . 1 . . . . 177 THR CG2 . 15651 1 1019 . 1 1 177 177 THR N N 15 113.390 . . 1 . . . . 177 THR N . 15651 1 1020 . 1 1 178 178 ARG H H 1 8.261 . . 1 . . . . 178 ARG HN . 15651 1 1021 . 1 1 178 178 ARG C C 13 173.932 . . 1 . . . . 178 ARG C . 15651 1 1022 . 1 1 178 178 ARG CA C 13 53.683 . . 1 . . . . 178 ARG CA . 15651 1 1023 . 1 1 178 178 ARG CB C 13 29.224 . . 1 . . . . 178 ARG CB . 15651 1 1024 . 1 1 178 178 ARG CD C 13 42.770 . . 1 . . . . 178 ARG CD . 15651 1 1025 . 1 1 178 178 ARG CG C 13 26.562 . . 1 . . . . 178 ARG CG . 15651 1 1026 . 1 1 178 178 ARG N N 15 123.906 . . 1 . . . . 178 ARG N . 15651 1 1027 . 1 1 183 183 MET C C 13 174.053 . . 1 . . . . 183 MET C . 15651 1 1028 . 1 1 183 183 MET CA C 13 53.700 . . 1 . . . . 183 MET CA . 15651 1 1029 . 1 1 183 183 MET CB C 13 35.908 . . 1 . . . . 183 MET CB . 15651 1 1030 . 1 1 183 183 MET CE C 13 17.809 . . 1 . . . . 183 MET CE . 15651 1 1031 . 1 1 183 183 MET CG C 13 29.993 . . 1 . . . . 183 MET CG . 15651 1 1032 . 1 1 184 184 LEU H H 1 8.319 . . 1 . . . . 184 LEU HN . 15651 1 1033 . 1 1 184 184 LEU C C 13 175.235 . . 1 . . . . 184 LEU C . 15651 1 1034 . 1 1 184 184 LEU CA C 13 53.120 . . 1 . . . . 184 LEU CA . 15651 1 1035 . 1 1 184 184 LEU CB C 13 42.857 . . 1 . . . . 184 LEU CB . 15651 1 1036 . 1 1 184 184 LEU CD1 C 13 24.869 . . 2 . . . . 184 LEU CD1 . 15651 1 1037 . 1 1 184 184 LEU CD2 C 13 22.679 . . 2 . . . . 184 LEU CD2 . 15651 1 1038 . 1 1 184 184 LEU N N 15 131.293 . . 1 . . . . 184 LEU N . 15651 1 1039 . 1 1 185 185 SER H H 1 9.603 . . 1 . . . . 185 SER HN . 15651 1 1040 . 1 1 185 185 SER C C 13 171.293 . . 1 . . . . 185 SER C . 15651 1 1041 . 1 1 185 185 SER CA C 13 56.504 . . 1 . . . . 185 SER CA . 15651 1 1042 . 1 1 185 185 SER CB C 13 66.585 . . 1 . . . . 185 SER CB . 15651 1 1043 . 1 1 185 185 SER N N 15 119.338 . . 1 . . . . 185 SER N . 15651 1 1044 . 1 1 186 186 LEU H H 1 8.583 . . 1 . . . . 186 LEU HN . 15651 1 1045 . 1 1 186 186 LEU HD11 H 1 1.123 . . 1 . . . . 186 LEU HD11 . 15651 1 1046 . 1 1 186 186 LEU HD12 H 1 1.123 . . 1 . . . . 186 LEU HD11 . 15651 1 1047 . 1 1 186 186 LEU HD13 H 1 1.123 . . 1 . . . . 186 LEU HD11 . 15651 1 1048 . 1 1 186 186 LEU HD21 H 1 1.041 . . 1 . . . . 186 LEU HD21 . 15651 1 1049 . 1 1 186 186 LEU HD22 H 1 1.041 . . 1 . . . . 186 LEU HD21 . 15651 1 1050 . 1 1 186 186 LEU HD23 H 1 1.041 . . 1 . . . . 186 LEU HD21 . 15651 1 1051 . 1 1 186 186 LEU C C 13 175.328 . . 1 . . . . 186 LEU C . 15651 1 1052 . 1 1 186 186 LEU CA C 13 52.729 . . 1 . . . . 186 LEU CA . 15651 1 1053 . 1 1 186 186 LEU CB C 13 44.996 . . 1 . . . . 186 LEU CB . 15651 1 1054 . 1 1 186 186 LEU CD1 C 13 23.451 . . 1 . . . . 186 LEU CD1 . 15651 1 1055 . 1 1 186 186 LEU CD2 C 13 24.473 . . 1 . . . . 186 LEU CD2 . 15651 1 1056 . 1 1 186 186 LEU N N 15 122.719 . . 1 . . . . 186 LEU N . 15651 1 1057 . 1 1 187 187 GLY H H 1 9.287 . . 1 . . . . 187 GLY HN . 15651 1 1058 . 1 1 187 187 GLY C C 13 172.315 . . 1 . . . . 187 GLY C . 15651 1 1059 . 1 1 187 187 GLY CA C 13 43.502 . . 1 . . . . 187 GLY CA . 15651 1 1060 . 1 1 187 187 GLY N N 15 110.265 . . 1 . . . . 187 GLY N . 15651 1 1061 . 1 1 188 188 VAL H H 1 8.825 . . 1 . . . . 188 VAL HN . 15651 1 1062 . 1 1 188 188 VAL HG11 H 1 1.045 . . 1 . . . . 188 VAL HG11 . 15651 1 1063 . 1 1 188 188 VAL HG12 H 1 1.045 . . 1 . . . . 188 VAL HG11 . 15651 1 1064 . 1 1 188 188 VAL HG13 H 1 1.045 . . 1 . . . . 188 VAL HG11 . 15651 1 1065 . 1 1 188 188 VAL HG21 H 1 1.045 . . 1 . . . . 188 VAL HG21 . 15651 1 1066 . 1 1 188 188 VAL HG22 H 1 1.045 . . 1 . . . . 188 VAL HG21 . 15651 1 1067 . 1 1 188 188 VAL HG23 H 1 1.045 . . 1 . . . . 188 VAL HG21 . 15651 1 1068 . 1 1 188 188 VAL C C 13 173.125 . . 1 . . . . 188 VAL C . 15651 1 1069 . 1 1 188 188 VAL CA C 13 59.739 . . 1 . . . . 188 VAL CA . 15651 1 1070 . 1 1 188 188 VAL CB C 13 34.532 . . 1 . . . . 188 VAL CB . 15651 1 1071 . 1 1 188 188 VAL CG1 C 13 19.903 . . 1 . . . . 188 VAL CG1 . 15651 1 1072 . 1 1 188 188 VAL CG2 C 13 19.903 . . 1 . . . . 188 VAL CG2 . 15651 1 1073 . 1 1 188 188 VAL N N 15 119.161 . . 1 . . . . 188 VAL N . 15651 1 1074 . 1 1 189 189 SER H H 1 9.051 . . 1 . . . . 189 SER HN . 15651 1 1075 . 1 1 189 189 SER C C 13 171.698 . . 1 . . . . 189 SER C . 15651 1 1076 . 1 1 189 189 SER CA C 13 55.997 . . 1 . . . . 189 SER CA . 15651 1 1077 . 1 1 189 189 SER CB C 13 66.094 . . 1 . . . . 189 SER CB . 15651 1 1078 . 1 1 189 189 SER N N 15 117.810 . . 1 . . . . 189 SER N . 15651 1 1079 . 1 1 190 190 TYR H H 1 9.145 . . 1 . . . . 190 TYR HN . 15651 1 1080 . 1 1 190 190 TYR C C 13 174.063 . . 1 . . . . 190 TYR C . 15651 1 1081 . 1 1 190 190 TYR CA C 13 55.375 . . 1 . . . . 190 TYR CA . 15651 1 1082 . 1 1 190 190 TYR CB C 13 41.183 . . 1 . . . . 190 TYR CB . 15651 1 1083 . 1 1 190 190 TYR N N 15 123.690 . . 1 . . . . 190 TYR N . 15651 1 1084 . 1 1 191 191 ARG H H 1 8.211 . . 1 . . . . 191 ARG HN . 15651 1 1085 . 1 1 191 191 ARG C C 13 174.826 . . 1 . . . . 191 ARG C . 15651 1 1086 . 1 1 191 191 ARG CA C 13 54.464 . . 1 . . . . 191 ARG CA . 15651 1 1087 . 1 1 191 191 ARG CB C 13 30.507 . . 1 . . . . 191 ARG CB . 15651 1 1088 . 1 1 191 191 ARG CD C 13 42.532 . . 1 . . . . 191 ARG CD . 15651 1 1089 . 1 1 191 191 ARG CG C 13 26.074 . . 1 . . . . 191 ARG CG . 15651 1 1090 . 1 1 191 191 ARG N N 15 125.366 . . 1 . . . . 191 ARG N . 15651 1 1091 . 1 1 192 192 PHE H H 1 8.496 . . 1 . . . . 192 PHE HN . 15651 1 1092 . 1 1 192 192 PHE C C 13 176.384 . . 1 . . . . 192 PHE C . 15651 1 1093 . 1 1 192 192 PHE CA C 13 57.179 . . 1 . . . . 192 PHE CA . 15651 1 1094 . 1 1 192 192 PHE CB C 13 39.430 . . 1 . . . . 192 PHE CB . 15651 1 1095 . 1 1 192 192 PHE N N 15 121.586 . . 1 . . . . 192 PHE N . 15651 1 1096 . 1 1 193 193 GLY H H 1 8.643 . . 1 . . . . 193 GLY HN . 15651 1 1097 . 1 1 193 193 GLY C C 13 174.466 . . 1 . . . . 193 GLY C . 15651 1 1098 . 1 1 193 193 GLY CA C 13 45.126 . . 1 . . . . 193 GLY CA . 15651 1 1099 . 1 1 193 193 GLY N N 15 109.499 . . 1 . . . . 193 GLY N . 15651 1 1100 . 1 1 194 194 GLN H H 1 8.512 . . 1 . . . . 194 GLN HN . 15651 1 1101 . 1 1 194 194 GLN C C 13 176.201 . . 1 . . . . 194 GLN C . 15651 1 1102 . 1 1 194 194 GLN CA C 13 55.433 . . 1 . . . . 194 GLN CA . 15651 1 1103 . 1 1 194 194 GLN CB C 13 28.729 . . 1 . . . . 194 GLN CB . 15651 1 1104 . 1 1 194 194 GLN CG C 13 33.243 . . 1 . . . . 194 GLN CG . 15651 1 1105 . 1 1 194 194 GLN N N 15 119.448 . . 1 . . . . 194 GLN N . 15651 1 1106 . 1 1 195 195 GLU H H 1 8.530 . . 1 . . . . 195 GLU HN . 15651 1 1107 . 1 1 195 195 GLU C C 13 176.151 . . 1 . . . . 195 GLU C . 15651 1 1108 . 1 1 195 195 GLU CA C 13 56.256 . . 1 . . . . 195 GLU CA . 15651 1 1109 . 1 1 195 195 GLU CB C 13 29.486 . . 1 . . . . 195 GLU CB . 15651 1 1110 . 1 1 195 195 GLU CG C 13 35.368 . . 1 . . . . 195 GLU CG . 15651 1 1111 . 1 1 195 195 GLU N N 15 121.959 . . 1 . . . . 195 GLU N . 15651 1 1112 . 1 1 196 196 ASP H H 1 8.253 . . 1 . . . . 196 ASP HN . 15651 1 1113 . 1 1 196 196 ASP C C 13 175.667 . . 1 . . . . 196 ASP C . 15651 1 1114 . 1 1 196 196 ASP CA C 13 53.981 . . 1 . . . . 196 ASP CA . 15651 1 1115 . 1 1 196 196 ASP CB C 13 40.700 . . 1 . . . . 196 ASP CB . 15651 1 1116 . 1 1 196 196 ASP N N 15 121.819 . . 1 . . . . 196 ASP N . 15651 1 1117 . 1 1 197 197 ALA H H 1 7.999 . . 1 . . . . 197 ALA HN . 15651 1 1118 . 1 1 197 197 ALA HB1 H 1 1.444 . . 1 . . . . 197 ALA HB1 . 15651 1 1119 . 1 1 197 197 ALA HB2 H 1 1.444 . . 1 . . . . 197 ALA HB1 . 15651 1 1120 . 1 1 197 197 ALA HB3 H 1 1.444 . . 1 . . . . 197 ALA HB1 . 15651 1 1121 . 1 1 197 197 ALA C C 13 176.847 . . 1 . . . . 197 ALA C . 15651 1 1122 . 1 1 197 197 ALA CA C 13 51.612 . . 1 . . . . 197 ALA CA . 15651 1 1123 . 1 1 197 197 ALA CB C 13 18.192 . . 1 . . . . 197 ALA CB . 15651 1 1124 . 1 1 197 197 ALA N N 15 124.262 . . 1 . . . . 197 ALA N . 15651 1 1125 . 1 1 198 198 ALA H H 1 8.042 . . 1 . . . . 198 ALA HN . 15651 1 1126 . 1 1 198 198 ALA C C 13 176.865 . . 1 . . . . 198 ALA C . 15651 1 1127 . 1 1 198 198 ALA CA C 13 49.999 . . 1 . . . . 198 ALA CA . 15651 1 1128 . 1 1 198 198 ALA CB C 13 17.327 . . 1 . . . . 198 ALA CB . 15651 1 1129 . 1 1 198 198 ALA N N 15 124.724 . . 1 . . . . 198 ALA N . 15651 1 1130 . 1 1 199 199 PRO C C 13 176.727 . . 1 . . . . 199 PRO C . 15651 1 1131 . 1 1 199 199 PRO CA C 13 62.399 . . 1 . . . . 199 PRO CA . 15651 1 1132 . 1 1 199 199 PRO CB C 13 30.949 . . 1 . . . . 199 PRO CB . 15651 1 1133 . 1 1 199 199 PRO CD C 13 53.040 . . 1 . . . . 199 PRO CD . 15651 1 1134 . 1 1 199 199 PRO CG C 13 26.284 . . 1 . . . . 199 PRO CG . 15651 1 1135 . 1 1 200 200 VAL H H 1 8.026 . . 1 . . . . 200 VAL HN . 15651 1 1136 . 1 1 200 200 VAL HG11 H 1 1.017 . . 1 . . . . 200 VAL HG11 . 15651 1 1137 . 1 1 200 200 VAL HG12 H 1 1.017 . . 1 . . . . 200 VAL HG11 . 15651 1 1138 . 1 1 200 200 VAL HG13 H 1 1.017 . . 1 . . . . 200 VAL HG11 . 15651 1 1139 . 1 1 200 200 VAL HG21 H 1 1.058 . . 1 . . . . 200 VAL HG21 . 15651 1 1140 . 1 1 200 200 VAL HG22 H 1 1.058 . . 1 . . . . 200 VAL HG21 . 15651 1 1141 . 1 1 200 200 VAL HG23 H 1 1.058 . . 1 . . . . 200 VAL HG21 . 15651 1 1142 . 1 1 200 200 VAL C C 13 176.034 . . 1 . . . . 200 VAL C . 15651 1 1143 . 1 1 200 200 VAL CA C 13 61.944 . . 1 . . . . 200 VAL CA . 15651 1 1144 . 1 1 200 200 VAL CB C 13 31.734 . . 1 . . . . 200 VAL CB . 15651 1 1145 . 1 1 200 200 VAL CG1 C 13 19.947 . . 1 . . . . 200 VAL CG1 . 15651 1 1146 . 1 1 200 200 VAL CG2 C 13 19.350 . . 1 . . . . 200 VAL CG2 . 15651 1 1147 . 1 1 200 200 VAL N N 15 120.635 . . 1 . . . . 200 VAL N . 15651 1 1148 . 1 1 201 201 VAL H H 1 7.966 . . 1 . . . . 201 VAL HN . 15651 1 1149 . 1 1 201 201 VAL HG11 H 1 1.008 . . 1 . . . . 201 VAL HG11 . 15651 1 1150 . 1 1 201 201 VAL HG12 H 1 1.008 . . 1 . . . . 201 VAL HG11 . 15651 1 1151 . 1 1 201 201 VAL HG13 H 1 1.008 . . 1 . . . . 201 VAL HG11 . 15651 1 1152 . 1 1 201 201 VAL HG21 H 1 1.008 . . 1 . . . . 201 VAL HG21 . 15651 1 1153 . 1 1 201 201 VAL HG22 H 1 1.008 . . 1 . . . . 201 VAL HG21 . 15651 1 1154 . 1 1 201 201 VAL HG23 H 1 1.008 . . 1 . . . . 201 VAL HG21 . 15651 1 1155 . 1 1 201 201 VAL C C 13 175.128 . . 1 . . . . 201 VAL C . 15651 1 1156 . 1 1 201 201 VAL CA C 13 61.249 . . 1 . . . . 201 VAL CA . 15651 1 1157 . 1 1 201 201 VAL CB C 13 31.917 . . 1 . . . . 201 VAL CB . 15651 1 1158 . 1 1 201 201 VAL CG1 C 13 19.975 . . 1 . . . . 201 VAL CG1 . 15651 1 1159 . 1 1 201 201 VAL CG2 C 13 19.191 . . 1 . . . . 201 VAL CG2 . 15651 1 1160 . 1 1 201 201 VAL N N 15 124.053 . . 1 . . . . 201 VAL N . 15651 1 1161 . 1 1 202 202 ALA H H 1 8.159 . . 1 . . . . 202 ALA HN . 15651 1 1162 . 1 1 202 202 ALA C C 13 175.153 . . 1 . . . . 202 ALA C . 15651 1 1163 . 1 1 202 202 ALA CA C 13 49.742 . . 1 . . . . 202 ALA CA . 15651 1 1164 . 1 1 202 202 ALA CB C 13 17.532 . . 1 . . . . 202 ALA CB . 15651 1 1165 . 1 1 202 202 ALA N N 15 129.251 . . 1 . . . . 202 ALA N . 15651 1 1166 . 1 1 203 203 PRO C C 13 176.273 . . 1 . . . . 203 PRO C . 15651 1 1167 . 1 1 203 203 PRO CA C 13 62.324 . . 1 . . . . 203 PRO CA . 15651 1 1168 . 1 1 203 203 PRO CB C 13 31.042 . . 1 . . . . 203 PRO CB . 15651 1 1169 . 1 1 203 203 PRO CG C 13 26.259 . . 1 . . . . 203 PRO CG . 15651 1 1170 . 1 1 204 204 ALA H H 1 8.137 . . 1 . . . . 204 ALA HN . 15651 1 1171 . 1 1 204 204 ALA C C 13 175.697 . . 1 . . . . 204 ALA C . 15651 1 1172 . 1 1 204 204 ALA CA C 13 49.865 . . 1 . . . . 204 ALA CA . 15651 1 1173 . 1 1 204 204 ALA CB C 13 17.364 . . 1 . . . . 204 ALA CB . 15651 1 1174 . 1 1 204 204 ALA N N 15 125.510 . . 1 . . . . 204 ALA N . 15651 1 1175 . 1 1 205 205 PRO C C 13 175.430 . . 1 . . . . 205 PRO C . 15651 1 1176 . 1 1 205 205 PRO CA C 13 62.511 . . 1 . . . . 205 PRO CA . 15651 1 1177 . 1 1 205 205 PRO CB C 13 31.056 . . 1 . . . . 205 PRO CB . 15651 1 1178 . 1 1 205 205 PRO CG C 13 26.217 . . 1 . . . . 205 PRO CG . 15651 1 1179 . 1 1 206 206 ALA H H 1 7.847 . . 1 . . . . 206 ALA HN . 15651 1 1180 . 1 1 206 206 ALA C C 13 175.565 . . 1 . . . . 206 ALA C . 15651 1 1181 . 1 1 206 206 ALA CA C 13 49.487 . . 1 . . . . 206 ALA CA . 15651 1 1182 . 1 1 206 206 ALA CB C 13 18.843 . . 1 . . . . 206 ALA CB . 15651 1 1183 . 1 1 206 206 ALA N N 15 123.663 . . 1 . . . . 206 ALA N . 15651 1 1184 . 1 1 207 207 PRO C C 13 174.397 . . 1 . . . . 207 PRO C . 15651 1 1185 . 1 1 207 207 PRO CA C 13 61.454 . . 1 . . . . 207 PRO CA . 15651 1 1186 . 1 1 207 207 PRO CB C 13 31.929 . . 1 . . . . 207 PRO CB . 15651 1 1187 . 1 1 208 208 ALA H H 1 7.898 . . 1 . . . . 208 ALA HN . 15651 1 1188 . 1 1 208 208 ALA C C 13 175.411 . . 1 . . . . 208 ALA C . 15651 1 1189 . 1 1 208 208 ALA CA C 13 49.472 . . 1 . . . . 208 ALA CA . 15651 1 1190 . 1 1 208 208 ALA CB C 13 19.082 . . 1 . . . . 208 ALA CB . 15651 1 1191 . 1 1 208 208 ALA N N 15 127.450 . . 1 . . . . 208 ALA N . 15651 1 1192 . 1 1 209 209 PRO C C 13 176.932 . . 1 . . . . 209 PRO C . 15651 1 1193 . 1 1 209 209 PRO CA C 13 62.736 . . 1 . . . . 209 PRO CA . 15651 1 1194 . 1 1 209 209 PRO CB C 13 31.012 . . 1 . . . . 209 PRO CB . 15651 1 1195 . 1 1 209 209 PRO CD C 13 50.098 . . 1 . . . . 209 PRO CD . 15651 1 1196 . 1 1 209 209 PRO CG C 13 26.302 . . 1 . . . . 209 PRO CG . 15651 1 1197 . 1 1 210 210 GLU H H 1 8.308 . . 1 . . . . 210 GLU HN . 15651 1 1198 . 1 1 210 210 GLU C C 13 176.271 . . 1 . . . . 210 GLU C . 15651 1 1199 . 1 1 210 210 GLU CA C 13 56.135 . . 1 . . . . 210 GLU CA . 15651 1 1200 . 1 1 210 210 GLU CB C 13 29.340 . . 1 . . . . 210 GLU CB . 15651 1 1201 . 1 1 210 210 GLU CG C 13 35.295 . . 1 . . . . 210 GLU CG . 15651 1 1202 . 1 1 210 210 GLU N N 15 120.488 . . 1 . . . . 210 GLU N . 15651 1 stop_ save_