data_4460 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4460 _Entry.Title ; 1H, 15N and 13C Resonance Assignments for the C-terminal Protein Interaction Region of the 32 kDa Subunit of Human Replication Protein A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-11-16 _Entry.Accession_date 1999-11-16 _Entry.Last_release_date 2005-04-25 _Entry.Original_release_date 2005-04-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Georges Mer . . . 4460 2 Aled Edwards . M. . 4460 3 Walter Chazin . J. . 4460 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4460 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 631 4460 '13C chemical shifts' 277 4460 '15N chemical shifts' 104 4460 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 1 . . 2005-04-25 1999-11-16 original author . 4460 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6534 'RPA32C (172-270) -Tag-OBD (131-259)' 4460 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4460 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20377251 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C Resonance Assignments for the C-terminal Protein Interaction Region of the 32 kDa Subunit of Human Replication Protein A ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 17 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 179 _Citation.Page_last 180 _Citation.Year 2000 _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 Georges Mer . . . 4460 1 2 Aled Edwards . M. . 4460 1 3 Walter Chazin . J. . 4460 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA replication' 4460 1 'DNA recombination' 4460 1 'DNA repair' 4460 1 stop_ save_ save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 4460 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 2406247 _Citation.Full_citation ; Erdile, L.F., Wold, M.S., and Kelly, T.J. "The primary structure of the 32-kDA subunit of human replication protein A". J. Biol. Chem. (1990) 265:3177-3182. ; _Citation.Title 'The primary structure of the 32-kDa subunit of human replication protein A.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 265 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0021-9258 _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 3177 _Citation.Page_last 3182 _Citation.Year 1990 _Citation.Details ; Replication protein A (RP-A) is a complex of three polypeptides of molecular mass 70, 32, and 14 kDa, which is absolutely required for simian virus 40 DNA replication in vitro. We have isolated a cDNA coding for the 32-kDa subunit of RP-A. An oligonucleotide probe was constructed based upon a tryptic peptide sequence derived from whole RP-A, and clones were isolated from a lambda gt11 library containing HeLa cDNA inserts. The amino acid sequence predicted from the cDNA contains the peptide sequence obtained from whole RP-A along with two sequences obtained from tryptic peptides derived from sodium dodecyl sulfate-polyacrylamide gel-purified 32-kDa subunit. The coding sequence predicts a protein of 29,228 daltons, in good agreement with the electrophoretically determined molecular mass of the 32-kDa subunit. No significant homology was found with any of the sequences in the GenBank data base. The protein predicted from the cDNA has an N-terminal region rich in glycine and serine along with two acidic and two basic segments. Monoclonal antibodies have been raised against the 70- and 32-kDa subunits of RP-A. The cloned cDNA has been overexpressed in bacteria using an inducible T7 expression system. The protein made in bacteria is recognized by a monoclonal antibody that is specific for the 32-kDa subunit of RP-A. This monoclonal antibody against the 32-kDa subunit inhibits DNA replication in vitro. ; 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 'L F' Erdile L. F. . 4460 2 2 'M S' Wold M. S. . 4460 2 3 'T J' Kelly T. J. . 4460 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_RPA32 _Assembly.Sf_category assembly _Assembly.Sf_framecode RPA32 _Assembly.Entry_ID 4460 _Assembly.ID 1 _Assembly.Name 'Replication Protein A 32kDa subunit' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'fully reduced' _Assembly.Molecular_mass 13532.19 _Assembly.Enzyme_commission_number . _Assembly.Details 'Involved in interactions with DNA repair and DNA recombination proteins' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4460 1 stop_ 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 RPA32 1 $RPA32(172-270) . . . native . . . . . 4460 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Replication Protein A 32kDa subunit' system 4460 1 RPA32 abbreviation 4460 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RPA32(172-270) _Entity.Sf_category entity _Entity.Sf_framecode RPA32(172-270) _Entity.Entry_ID 4460 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Replication Protein A' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMANSQPSAGRAPISNPG MSEAGNFGGNSFMPANGLTV AQNQVLNLIKACPRPEGLNF QDLKNQLKHMSVSSIKQAVD FLSNEGHIYSTVDDDHFKST DAE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'fully reduced' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The first 4 residues (GSHM) do not belong to the protein. First residue (Ser 172), last residue (Glu 270) ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17060 . RPA32C . . . . . 94.17 97 100.00 100.00 4.32e-64 . . . . 4460 1 2 no PDB 1DPU . "Solution Structure Of The C-Terminal Domain Of Human Rpa32 Complexed With Ung2(73-88)" . . . . . 96.12 99 100.00 100.00 2.03e-65 . . . . 4460 1 3 no PDB 1Z1D . "Structural Model For The Interaction Between Rpa32 C- Terminal Domain And Sv40 T Antigen Origin Binding Domain" . . . . . 100.00 103 100.00 100.00 1.17e-68 . . . . 4460 1 4 no PDB 2PI2 . "Full-Length Replication Protein A Subunits Rpa14 And Rpa32" . . . . . 96.12 270 100.00 100.00 4.65e-64 . . . . 4460 1 5 no PDB 2Z6K . "Crystal Structure Of Full-Length Human Rpa1432 HETERODIMER" . . . . . 96.12 270 100.00 100.00 4.65e-64 . . . . 4460 1 6 no PDB 4MQV . "Crystal Complex Of Rpa32c And Smarcal1 N-terminus" . . . . . 66.99 69 100.00 100.00 4.06e-42 . . . . 4460 1 7 no PDB 4OU0 . "Crystal Structure Of Rpa32c" . . . . . 66.99 73 98.55 98.55 3.12e-40 . . . . 4460 1 8 no DBJ BAG35795 . "unnamed protein product [Homo sapiens]" . . . . . 96.12 270 98.99 100.00 1.42e-63 . . . . 4460 1 9 no DBJ BAG59456 . "unnamed protein product [Homo sapiens]" . . . . . 96.12 104 100.00 100.00 1.49e-65 . . . . 4460 1 10 no DBJ BAG60901 . "unnamed protein product [Homo sapiens]" . . . . . 96.12 264 100.00 100.00 3.90e-64 . . . . 4460 1 11 no DBJ BAG62374 . "unnamed protein product [Homo sapiens]" . . . . . 96.12 174 100.00 100.00 2.93e-65 . . . . 4460 1 12 no DBJ BAI47325 . "replication protein A2, 32kDa [synthetic construct]" . . . . . 96.12 270 100.00 100.00 4.65e-64 . . . . 4460 1 13 no EMBL CAG29344 . "RPA2 [Homo sapiens]" . . . . . 96.12 270 100.00 100.00 4.65e-64 . . . . 4460 1 14 no EMBL CAH90667 . "hypothetical protein [Pongo abelii]" . . . . . 96.12 270 97.98 100.00 3.44e-63 . . . . 4460 1 15 no GB AAA36560 . "replication protein A [Homo sapiens]" . . . . . 96.12 270 100.00 100.00 4.65e-64 . . . . 4460 1 16 no GB AAH01630 . "Replication protein A2, 32kDa [Homo sapiens]" . . . . . 96.12 270 100.00 100.00 4.65e-64 . . . . 4460 1 17 no GB AAH12157 . "Replication protein A2, 32kDa [Homo sapiens]" . . . . . 96.12 270 100.00 100.00 4.65e-64 . . . . 4460 1 18 no GB AAH21257 . "Replication protein A2, 32kDa [Homo sapiens]" . . . . . 96.12 270 100.00 100.00 4.65e-64 . . . . 4460 1 19 no GB AAX84514 . "replication protein A2, 32kDa [Homo sapiens]" . . . . . 96.12 270 100.00 100.00 4.65e-64 . . . . 4460 1 20 no REF NP_001125362 . "replication protein A 32 kDa subunit [Pongo abelii]" . . . . . 96.12 343 97.98 100.00 8.52e-63 . . . . 4460 1 21 no REF NP_001247563 . "replication protein A 32 kDa subunit [Macaca mulatta]" . . . . . 96.12 270 98.99 100.00 1.54e-63 . . . . 4460 1 22 no REF NP_001273005 . "replication protein A 32 kDa subunit isoform 2 [Homo sapiens]" . . . . . 96.12 174 100.00 100.00 2.93e-65 . . . . 4460 1 23 no REF NP_001284487 . "replication protein A 32 kDa subunit isoform 3 [Homo sapiens]" . . . . . 96.12 278 100.00 100.00 5.37e-64 . . . . 4460 1 24 no REF NP_002937 . "replication protein A 32 kDa subunit isoform 1 [Homo sapiens]" . . . . . 96.12 270 100.00 100.00 4.65e-64 . . . . 4460 1 25 no SP P15927 . "RecName: Full=Replication protein A 32 kDa subunit; Short=RP-A p32; AltName: Full=Replication factor A protein 2; Short=RF-A pr" . . . . . 96.12 270 100.00 100.00 4.65e-64 . . . . 4460 1 26 no SP Q5RC43 . "RecName: Full=Replication protein A 32 kDa subunit; Short=RP-A p32; AltName: Full=Replication factor A protein 2; Short=RF-A pr" . . . . . 96.12 270 97.98 100.00 3.44e-63 . . . . 4460 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Replication Protein A' common 4460 1 RPA32 abbreviation 4460 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 -4 GLY . 4460 1 2 -3 SER . 4460 1 3 -2 HIS . 4460 1 4 -1 MET . 4460 1 5 172 ALA . 4460 1 6 173 ASN . 4460 1 7 174 SER . 4460 1 8 175 GLN . 4460 1 9 176 PRO . 4460 1 10 177 SER . 4460 1 11 178 ALA . 4460 1 12 179 GLY . 4460 1 13 180 ARG . 4460 1 14 181 ALA . 4460 1 15 182 PRO . 4460 1 16 183 ILE . 4460 1 17 184 SER . 4460 1 18 185 ASN . 4460 1 19 186 PRO . 4460 1 20 187 GLY . 4460 1 21 188 MET . 4460 1 22 189 SER . 4460 1 23 190 GLU . 4460 1 24 191 ALA . 4460 1 25 192 GLY . 4460 1 26 193 ASN . 4460 1 27 194 PHE . 4460 1 28 195 GLY . 4460 1 29 196 GLY . 4460 1 30 197 ASN . 4460 1 31 198 SER . 4460 1 32 199 PHE . 4460 1 33 200 MET . 4460 1 34 201 PRO . 4460 1 35 202 ALA . 4460 1 36 203 ASN . 4460 1 37 204 GLY . 4460 1 38 205 LEU . 4460 1 39 206 THR . 4460 1 40 207 VAL . 4460 1 41 208 ALA . 4460 1 42 209 GLN . 4460 1 43 210 ASN . 4460 1 44 211 GLN . 4460 1 45 212 VAL . 4460 1 46 213 LEU . 4460 1 47 214 ASN . 4460 1 48 215 LEU . 4460 1 49 216 ILE . 4460 1 50 217 LYS . 4460 1 51 218 ALA . 4460 1 52 219 CYS . 4460 1 53 220 PRO . 4460 1 54 221 ARG . 4460 1 55 222 PRO . 4460 1 56 223 GLU . 4460 1 57 224 GLY . 4460 1 58 225 LEU . 4460 1 59 226 ASN . 4460 1 60 227 PHE . 4460 1 61 228 GLN . 4460 1 62 229 ASP . 4460 1 63 230 LEU . 4460 1 64 231 LYS . 4460 1 65 232 ASN . 4460 1 66 233 GLN . 4460 1 67 234 LEU . 4460 1 68 235 LYS . 4460 1 69 236 HIS . 4460 1 70 237 MET . 4460 1 71 238 SER . 4460 1 72 239 VAL . 4460 1 73 240 SER . 4460 1 74 241 SER . 4460 1 75 242 ILE . 4460 1 76 243 LYS . 4460 1 77 244 GLN . 4460 1 78 245 ALA . 4460 1 79 246 VAL . 4460 1 80 247 ASP . 4460 1 81 248 PHE . 4460 1 82 249 LEU . 4460 1 83 250 SER . 4460 1 84 251 ASN . 4460 1 85 252 GLU . 4460 1 86 253 GLY . 4460 1 87 254 HIS . 4460 1 88 255 ILE . 4460 1 89 256 TYR . 4460 1 90 257 SER . 4460 1 91 258 THR . 4460 1 92 259 VAL . 4460 1 93 260 ASP . 4460 1 94 261 ASP . 4460 1 95 262 ASP . 4460 1 96 263 HIS . 4460 1 97 264 PHE . 4460 1 98 265 LYS . 4460 1 99 266 SER . 4460 1 100 267 THR . 4460 1 101 268 ASP . 4460 1 102 269 ALA . 4460 1 103 270 GLU . 4460 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 . GLY 1 1 4460 1 . SER 2 2 4460 1 . HIS 3 3 4460 1 . MET 4 4 4460 1 . ALA 5 5 4460 1 . ASN 6 6 4460 1 . SER 7 7 4460 1 . GLN 8 8 4460 1 . PRO 9 9 4460 1 . SER 10 10 4460 1 . ALA 11 11 4460 1 . GLY 12 12 4460 1 . ARG 13 13 4460 1 . ALA 14 14 4460 1 . PRO 15 15 4460 1 . ILE 16 16 4460 1 . SER 17 17 4460 1 . ASN 18 18 4460 1 . PRO 19 19 4460 1 . GLY 20 20 4460 1 . MET 21 21 4460 1 . SER 22 22 4460 1 . GLU 23 23 4460 1 . ALA 24 24 4460 1 . GLY 25 25 4460 1 . ASN 26 26 4460 1 . PHE 27 27 4460 1 . GLY 28 28 4460 1 . GLY 29 29 4460 1 . ASN 30 30 4460 1 . SER 31 31 4460 1 . PHE 32 32 4460 1 . MET 33 33 4460 1 . PRO 34 34 4460 1 . ALA 35 35 4460 1 . ASN 36 36 4460 1 . GLY 37 37 4460 1 . LEU 38 38 4460 1 . THR 39 39 4460 1 . VAL 40 40 4460 1 . ALA 41 41 4460 1 . GLN 42 42 4460 1 . ASN 43 43 4460 1 . GLN 44 44 4460 1 . VAL 45 45 4460 1 . LEU 46 46 4460 1 . ASN 47 47 4460 1 . LEU 48 48 4460 1 . ILE 49 49 4460 1 . LYS 50 50 4460 1 . ALA 51 51 4460 1 . CYS 52 52 4460 1 . PRO 53 53 4460 1 . ARG 54 54 4460 1 . PRO 55 55 4460 1 . GLU 56 56 4460 1 . GLY 57 57 4460 1 . LEU 58 58 4460 1 . ASN 59 59 4460 1 . PHE 60 60 4460 1 . GLN 61 61 4460 1 . ASP 62 62 4460 1 . LEU 63 63 4460 1 . LYS 64 64 4460 1 . ASN 65 65 4460 1 . GLN 66 66 4460 1 . LEU 67 67 4460 1 . LYS 68 68 4460 1 . HIS 69 69 4460 1 . MET 70 70 4460 1 . SER 71 71 4460 1 . VAL 72 72 4460 1 . SER 73 73 4460 1 . SER 74 74 4460 1 . ILE 75 75 4460 1 . LYS 76 76 4460 1 . GLN 77 77 4460 1 . ALA 78 78 4460 1 . VAL 79 79 4460 1 . ASP 80 80 4460 1 . PHE 81 81 4460 1 . LEU 82 82 4460 1 . SER 83 83 4460 1 . ASN 84 84 4460 1 . GLU 85 85 4460 1 . GLY 86 86 4460 1 . HIS 87 87 4460 1 . ILE 88 88 4460 1 . TYR 89 89 4460 1 . SER 90 90 4460 1 . THR 91 91 4460 1 . VAL 92 92 4460 1 . ASP 93 93 4460 1 . ASP 94 94 4460 1 . ASP 95 95 4460 1 . HIS 96 96 4460 1 . PHE 97 97 4460 1 . LYS 98 98 4460 1 . SER 99 99 4460 1 . THR 100 100 4460 1 . ASP 101 101 4460 1 . ALA 102 102 4460 1 . GLU 103 103 4460 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 4460 _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 $RPA32(172-270) . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . nucleus . . . . . . . . . . . 4460 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 4460 _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 $RPA32(172-270) . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET15b . Novagen . . . . 4460 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4460 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Replication Protein A' '[U-13C; U-15N]' . . 1 $RPA32(172-270) . . 1 . . mM . . . . 4460 1 2 'phosphate buffer' . . . . . . . 25 . . mM . . . . 4460 1 3 DTT . . . . . . . 5 . . mM . . . . 4460 1 4 H2O . . . . . . . 93 . . % . . . . 4460 1 5 D2O . . . . . . . 7 . . % . . . . 4460 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4460 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Replication Protein A' '[U-10% 13C; U-15N]' . . 1 $RPA32(172-270) . . 1 . . mM . . . . 4460 2 2 'phosphate buffer' . . . . . . . 25 . . mM . . . . 4460 2 3 DTT . . . . . . . 5 . . mM . . . . 4460 2 4 H2O . . . . . . . 93 . . % . . . . 4460 2 5 D2O . . . . . . . 7 . . % . . . . 4460 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4460 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Replication Protein A' [U-15N] . . 1 $RPA32(172-270) . . 1 . . mM . . . . 4460 3 2 'phosphate buffer' . . . . . . . 25 . . mM . . . . 4460 3 3 DTT . . . . . . . 5 . . mM . . . . 4460 3 4 H2O . . . . . . . 93 . . % . . . . 4460 3 5 D2O . . . . . . . 7 . . % . . . . 4460 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 4460 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Replication Protein A' NA . . 1 $RPA32(172-270) . . 1 . . mM . . . . 4460 4 2 'phosphate buffer' . . . . . . . 25 . . mM . . . . 4460 4 3 DTT . . . . . . . 5 . . mM . . . . 4460 4 4 H2O . . . . . . . 93 . . % . . . . 4460 4 5 D2O . . . . . . . 7 . . % . . . . 4460 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 4460 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . n/a 4460 1 temperature 298 . K 4460 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4460 _Software.ID 1 _Software.Name FELIX _Software.Version 97 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID MSI . . 4460 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra Processing' 4460 1 'spectra Analysis' 4460 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4460 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4460 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 4460 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 4460 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 4460 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4460 _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 NMR_spectrometer_1 Bruker AMX . 500 . . . 4460 1 2 NMR_spectrometer_2 Bruker AMX . 600 . . . 4460 1 3 NMR_spectrometer_3 Bruker DRX . 600 . . . 4460 1 4 NMR_spectrometer_4 Bruker DMX . 750 . . . 4460 1 5 NMR_spectrometer_5 Bruker DRX . 800 . . . 4460 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 4460 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4460 1 2 '2D 1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4460 1 3 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4460 1 4 '2D DQF-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4460 1 5 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4460 1 6 '2D 2Q' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4460 1 7 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4460 1 8 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4460 1 9 '3D C(CO)NH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4460 1 10 '3D H(CCO)NH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4460 1 11 '3D HBHA(CBCACO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4460 1 12 '3D HNHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4460 1 13 '3D HNHB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4460 1 14 '3D HACAHB-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4460 1 15 '3D 15N edited TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4460 1 16 '3D 15N edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4460 1 17 '3D 13C edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4460 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4460 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4460 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4460 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4460 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D DQF-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4460 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4460 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2D 2Q' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4460 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4460 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4460 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D C(CO)NH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4460 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D H(CCO)NH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4460 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D HBHA(CBCACO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4460 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4460 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D HNHB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 4460 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D HACAHB-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 4460 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '3D 15N edited TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 4460 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '3D 15N edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 4460 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '3D 13C edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4460 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4460 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4460 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4460 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_label _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_label _Assigned_chem_shift_list.Entry_ID 4460 _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 _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 $sample_1 . 4460 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 4 4 MET HA H 1 4.345 . . 1 . . . . . . . . 4460 1 2 . 1 1 4 4 MET HB2 H 1 2.032 . . 2 . . . . . . . . 4460 1 3 . 1 1 4 4 MET HB3 H 1 1.906 . . 2 . . . . . . . . 4460 1 4 . 1 1 4 4 MET HG2 H 1 2.434 . . 1 . . . . . . . . 4460 1 5 . 1 1 4 4 MET HG3 H 1 2.434 . . 1 . . . . . . . . 4460 1 6 . 1 1 4 4 MET CA C 13 55.24 . . 1 . . . . . . . . 4460 1 7 . 1 1 4 4 MET CB C 13 32.78 . . 1 . . . . . . . . 4460 1 8 . 1 1 4 4 MET CG C 13 31.81 . . 1 . . . . . . . . 4460 1 9 . 1 1 5 5 ALA H H 1 8.329 . . 1 . . . . . . . . 4460 1 10 . 1 1 5 5 ALA HA H 1 4.232 . . 1 . . . . . . . . 4460 1 11 . 1 1 5 5 ALA HB1 H 1 1.354 . . 1 . . . . . . . . 4460 1 12 . 1 1 5 5 ALA HB2 H 1 1.354 . . 1 . . . . . . . . 4460 1 13 . 1 1 5 5 ALA HB3 H 1 1.354 . . 1 . . . . . . . . 4460 1 14 . 1 1 5 5 ALA CA C 13 52.40 . . 1 . . . . . . . . 4460 1 15 . 1 1 5 5 ALA CB C 13 19.62 . . 1 . . . . . . . . 4460 1 16 . 1 1 5 5 ALA N N 15 125.53 . . 1 . . . . . . . . 4460 1 17 . 1 1 6 6 ASN H H 1 7.906 . . 1 . . . . . . . . 4460 1 18 . 1 1 6 6 ASN HA H 1 4.468 . . 1 . . . . . . . . 4460 1 19 . 1 1 6 6 ASN HB2 H 1 2.840 . . 2 . . . . . . . . 4460 1 20 . 1 1 6 6 ASN HB3 H 1 2.741 . . 2 . . . . . . . . 4460 1 21 . 1 1 6 6 ASN CA C 13 54.69 . . 1 . . . . . . . . 4460 1 22 . 1 1 6 6 ASN CB C 13 41.00 . . 1 . . . . . . . . 4460 1 23 . 1 1 6 6 ASN N N 15 122.83 . . 1 . . . . . . . . 4460 1 24 . 1 1 7 7 SER HA H 1 4.360 . . 1 . . . . . . . . 4460 1 25 . 1 1 7 7 SER HB2 H 1 3.793 . . 1 . . . . . . . . 4460 1 26 . 1 1 7 7 SER HB3 H 1 3.793 . . 1 . . . . . . . . 4460 1 27 . 1 1 7 7 SER CA C 13 58.34 . . 1 . . . . . . . . 4460 1 28 . 1 1 7 7 SER CB C 13 63.88 . . 1 . . . . . . . . 4460 1 29 . 1 1 8 8 GLN H H 1 8.337 . . 1 . . . . . . . . 4460 1 30 . 1 1 8 8 GLN HA H 1 4.621 . . 1 . . . . . . . . 4460 1 31 . 1 1 8 8 GLN HB2 H 1 2.115 . . 2 . . . . . . . . 4460 1 32 . 1 1 8 8 GLN HB3 H 1 1.963 . . 2 . . . . . . . . 4460 1 33 . 1 1 8 8 GLN HG2 H 1 2.391 . . 2 . . . . . . . . 4460 1 34 . 1 1 8 8 GLN HG3 H 1 2.343 . . 2 . . . . . . . . 4460 1 35 . 1 1 8 8 GLN HE21 H 1 7.517 . . 2 . . . . . . . . 4460 1 36 . 1 1 8 8 GLN HE22 H 1 6.861 . . 2 . . . . . . . . 4460 1 37 . 1 1 8 8 GLN CA C 13 53.84 . . 1 . . . . . . . . 4460 1 38 . 1 1 8 8 GLN CB C 13 29.09 . . 1 . . . . . . . . 4460 1 39 . 1 1 8 8 GLN N N 15 122.83 . . 1 . . . . . . . . 4460 1 40 . 1 1 8 8 GLN NE2 N 15 112.33 . . 1 . . . . . . . . 4460 1 41 . 1 1 9 9 PRO HA H 1 4.369 . . 1 . . . . . . . . 4460 1 42 . 1 1 9 9 PRO HB2 H 1 2.284 . . 2 . . . . . . . . 4460 1 43 . 1 1 9 9 PRO HB3 H 1 1.918 . . 2 . . . . . . . . 4460 1 44 . 1 1 9 9 PRO HG2 H 1 2.021 . . 1 . . . . . . . . 4460 1 45 . 1 1 9 9 PRO HG3 H 1 2.021 . . 1 . . . . . . . . 4460 1 46 . 1 1 9 9 PRO HD2 H 1 3.731 . . 2 . . . . . . . . 4460 1 47 . 1 1 9 9 PRO HD3 H 1 3.610 . . 2 . . . . . . . . 4460 1 48 . 1 1 9 9 PRO CA C 13 63.41 . . 1 . . . . . . . . 4460 1 49 . 1 1 9 9 PRO CB C 13 32.07 . . 1 . . . . . . . . 4460 1 50 . 1 1 9 9 PRO CG C 13 27.40 . . 1 . . . . . . . . 4460 1 51 . 1 1 9 9 PRO CD C 13 50.62 . . 1 . . . . . . . . 4460 1 52 . 1 1 10 10 SER H H 1 8.438 . . 1 . . . . . . . . 4460 1 53 . 1 1 10 10 SER HA H 1 4.330 . . 1 . . . . . . . . 4460 1 54 . 1 1 10 10 SER HB2 H 1 3.814 . . 1 . . . . . . . . 4460 1 55 . 1 1 10 10 SER HB3 H 1 3.814 . . 1 . . . . . . . . 4460 1 56 . 1 1 10 10 SER CA C 13 58.39 . . 1 . . . . . . . . 4460 1 57 . 1 1 10 10 SER CB C 13 63.81 . . 1 . . . . . . . . 4460 1 58 . 1 1 10 10 SER N N 15 116.41 . . 1 . . . . . . . . 4460 1 59 . 1 1 11 11 ALA H H 1 8.344 . . 1 . . . . . . . . 4460 1 60 . 1 1 11 11 ALA HA H 1 4.289 . . 1 . . . . . . . . 4460 1 61 . 1 1 11 11 ALA HB1 H 1 1.415 . . 1 . . . . . . . . 4460 1 62 . 1 1 11 11 ALA HB2 H 1 1.415 . . 1 . . . . . . . . 4460 1 63 . 1 1 11 11 ALA HB3 H 1 1.415 . . 1 . . . . . . . . 4460 1 64 . 1 1 11 11 ALA CA C 13 52.64 . . 1 . . . . . . . . 4460 1 65 . 1 1 11 11 ALA CB C 13 19.32 . . 1 . . . . . . . . 4460 1 66 . 1 1 11 11 ALA N N 15 126.22 . . 1 . . . . . . . . 4460 1 67 . 1 1 12 12 GLY H H 1 8.370 . . 1 . . . . . . . . 4460 1 68 . 1 1 12 12 GLY HA2 H 1 3.933 . . 1 . . . . . . . . 4460 1 69 . 1 1 12 12 GLY HA3 H 1 3.933 . . 1 . . . . . . . . 4460 1 70 . 1 1 12 12 GLY CA C 13 45.26 . . 1 . . . . . . . . 4460 1 71 . 1 1 12 12 GLY N N 15 108.49 . . 1 . . . . . . . . 4460 1 72 . 1 1 13 13 ARG H H 1 8.060 . . 1 . . . . . . . . 4460 1 73 . 1 1 13 13 ARG HA H 1 4.295 . . 1 . . . . . . . . 4460 1 74 . 1 1 13 13 ARG HB2 H 1 1.822 . . 2 . . . . . . . . 4460 1 75 . 1 1 13 13 ARG HB3 H 1 1.710 . . 2 . . . . . . . . 4460 1 76 . 1 1 13 13 ARG HG2 H 1 1.607 . . 1 . . . . . . . . 4460 1 77 . 1 1 13 13 ARG HG3 H 1 1.607 . . 1 . . . . . . . . 4460 1 78 . 1 1 13 13 ARG HD2 H 1 3.156 . . 1 . . . . . . . . 4460 1 79 . 1 1 13 13 ARG HD3 H 1 3.156 . . 1 . . . . . . . . 4460 1 80 . 1 1 13 13 ARG CA C 13 55.58 . . 1 . . . . . . . . 4460 1 81 . 1 1 13 13 ARG CB C 13 31.10 . . 1 . . . . . . . . 4460 1 82 . 1 1 13 13 ARG CG C 13 27.09 . . 1 . . . . . . . . 4460 1 83 . 1 1 13 13 ARG CD C 13 43.33 . . 1 . . . . . . . . 4460 1 84 . 1 1 13 13 ARG N N 15 120.66 . . 1 . . . . . . . . 4460 1 85 . 1 1 14 14 ALA H H 1 8.349 . . 1 . . . . . . . . 4460 1 86 . 1 1 14 14 ALA HA H 1 4.581 . . 1 . . . . . . . . 4460 1 87 . 1 1 14 14 ALA HB1 H 1 1.356 . . 1 . . . . . . . . 4460 1 88 . 1 1 14 14 ALA HB2 H 1 1.356 . . 1 . . . . . . . . 4460 1 89 . 1 1 14 14 ALA HB3 H 1 1.356 . . 1 . . . . . . . . 4460 1 90 . 1 1 14 14 ALA CA C 13 50.62 . . 1 . . . . . . . . 4460 1 91 . 1 1 14 14 ALA CB C 13 18.17 . . 1 . . . . . . . . 4460 1 92 . 1 1 14 14 ALA N N 15 127.11 . . 1 . . . . . . . . 4460 1 93 . 1 1 15 15 PRO HA H 1 4.364 . . 1 . . . . . . . . 4460 1 94 . 1 1 15 15 PRO HB2 H 1 2.237 . . 2 . . . . . . . . 4460 1 95 . 1 1 15 15 PRO HB3 H 1 1.877 . . 2 . . . . . . . . 4460 1 96 . 1 1 15 15 PRO HG2 H 1 1.998 . . 1 . . . . . . . . 4460 1 97 . 1 1 15 15 PRO HG3 H 1 1.998 . . 1 . . . . . . . . 4460 1 98 . 1 1 15 15 PRO HD2 H 1 3.736 . . 2 . . . . . . . . 4460 1 99 . 1 1 15 15 PRO HD3 H 1 3.583 . . 2 . . . . . . . . 4460 1 100 . 1 1 15 15 PRO CA C 13 62.95 . . 1 . . . . . . . . 4460 1 101 . 1 1 15 15 PRO CB C 13 32.02 . . 1 . . . . . . . . 4460 1 102 . 1 1 15 15 PRO CG C 13 27.48 . . 1 . . . . . . . . 4460 1 103 . 1 1 15 15 PRO CD C 13 50.43 . . 1 . . . . . . . . 4460 1 104 . 1 1 16 16 ILE H H 1 8.257 . . 1 . . . . . . . . 4460 1 105 . 1 1 16 16 ILE HA H 1 4.155 . . 1 . . . . . . . . 4460 1 106 . 1 1 16 16 ILE HB H 1 1.846 . . 1 . . . . . . . . 4460 1 107 . 1 1 16 16 ILE HG12 H 1 1.475 . . 2 . . . . . . . . 4460 1 108 . 1 1 16 16 ILE HG13 H 1 1.196 . . 2 . . . . . . . . 4460 1 109 . 1 1 16 16 ILE HD11 H 1 0.882 . . 1 . . . . . . . . 4460 1 110 . 1 1 16 16 ILE HD12 H 1 0.882 . . 1 . . . . . . . . 4460 1 111 . 1 1 16 16 ILE HD13 H 1 0.882 . . 1 . . . . . . . . 4460 1 112 . 1 1 16 16 ILE CA C 13 61.04 . . 1 . . . . . . . . 4460 1 113 . 1 1 16 16 ILE CB C 13 38.72 . . 1 . . . . . . . . 4460 1 114 . 1 1 16 16 ILE CG1 C 13 27.37 . . 1 . . . . . . . . 4460 1 115 . 1 1 16 16 ILE CG2 C 13 17.66 . . 1 . . . . . . . . 4460 1 116 . 1 1 16 16 ILE CD1 C 13 17.66 . . 1 . . . . . . . . 4460 1 117 . 1 1 16 16 ILE N N 15 120.91 . . 1 . . . . . . . . 4460 1 118 . 1 1 17 17 SER H H 1 8.327 . . 1 . . . . . . . . 4460 1 119 . 1 1 17 17 SER HA H 1 4.474 . . 1 . . . . . . . . 4460 1 120 . 1 1 17 17 SER HB2 H 1 3.804 . . 1 . . . . . . . . 4460 1 121 . 1 1 17 17 SER HB3 H 1 3.804 . . 1 . . . . . . . . 4460 1 122 . 1 1 17 17 SER CA C 13 58.13 . . 1 . . . . . . . . 4460 1 123 . 1 1 17 17 SER CB C 13 63.94 . . 1 . . . . . . . . 4460 1 124 . 1 1 17 17 SER N N 15 119.84 . . 1 . . . . . . . . 4460 1 125 . 1 1 19 19 PRO HA H 1 4.391 . . 1 . . . . . . . . 4460 1 126 . 1 1 19 19 PRO HB2 H 1 2.266 . . 2 . . . . . . . . 4460 1 127 . 1 1 19 19 PRO HB3 H 1 2.006 . . 2 . . . . . . . . 4460 1 128 . 1 1 19 19 PRO HD2 H 1 3.745 . . 1 . . . . . . . . 4460 1 129 . 1 1 19 19 PRO HD3 H 1 3.745 . . 1 . . . . . . . . 4460 1 130 . 1 1 19 19 PRO CA C 13 63.79 . . 1 . . . . . . . . 4460 1 131 . 1 1 19 19 PRO CB C 13 32.04 . . 1 . . . . . . . . 4460 1 132 . 1 1 19 19 PRO CG C 13 27.25 . . 1 . . . . . . . . 4460 1 133 . 1 1 19 19 PRO CD C 13 50.65 . . 1 . . . . . . . . 4460 1 134 . 1 1 20 20 GLY H H 1 8.457 . . 1 . . . . . . . . 4460 1 135 . 1 1 20 20 GLY HA2 H 1 3.929 . . 1 . . . . . . . . 4460 1 136 . 1 1 20 20 GLY HA3 H 1 3.929 . . 1 . . . . . . . . 4460 1 137 . 1 1 20 20 GLY CA C 13 45.43 . . 1 . . . . . . . . 4460 1 138 . 1 1 20 20 GLY N N 15 108.71 . . 1 . . . . . . . . 4460 1 139 . 1 1 21 21 MET H H 1 8.064 . . 1 . . . . . . . . 4460 1 140 . 1 1 21 21 MET HA H 1 4.507 . . 1 . . . . . . . . 4460 1 141 . 1 1 21 21 MET HB2 H 1 2.138 . . 2 . . . . . . . . 4460 1 142 . 1 1 21 21 MET HB3 H 1 2.008 . . 2 . . . . . . . . 4460 1 143 . 1 1 21 21 MET HG2 H 1 2.560 . . 1 . . . . . . . . 4460 1 144 . 1 1 21 21 MET HG3 H 1 2.560 . . 1 . . . . . . . . 4460 1 145 . 1 1 21 21 MET CA C 13 55.52 . . 1 . . . . . . . . 4460 1 146 . 1 1 21 21 MET CB C 13 33.04 . . 1 . . . . . . . . 4460 1 147 . 1 1 21 21 MET CG C 13 32.07 . . 1 . . . . . . . . 4460 1 148 . 1 1 21 21 MET N N 15 119.85 . . 1 . . . . . . . . 4460 1 149 . 1 1 22 22 SER H H 1 8.332 . . 1 . . . . . . . . 4460 1 150 . 1 1 22 22 SER HA H 1 4.448 . . 1 . . . . . . . . 4460 1 151 . 1 1 22 22 SER HB2 H 1 3.876 . . 1 . . . . . . . . 4460 1 152 . 1 1 22 22 SER HB3 H 1 3.876 . . 1 . . . . . . . . 4460 1 153 . 1 1 22 22 SER CA C 13 58.56 . . 1 . . . . . . . . 4460 1 154 . 1 1 22 22 SER CB C 13 63.87 . . 1 . . . . . . . . 4460 1 155 . 1 1 22 22 SER N N 15 116.84 . . 1 . . . . . . . . 4460 1 156 . 1 1 23 23 GLU H H 1 8.487 . . 1 . . . . . . . . 4460 1 157 . 1 1 23 23 GLU HA H 1 4.290 . . 1 . . . . . . . . 4460 1 158 . 1 1 23 23 GLU HB2 H 1 2.094 . . 1 . . . . . . . . 4460 1 159 . 1 1 23 23 GLU HB3 H 1 1.969 . . 1 . . . . . . . . 4460 1 160 . 1 1 23 23 GLU HG2 H 1 2.267 . . 1 . . . . . . . . 4460 1 161 . 1 1 23 23 GLU HG3 H 1 2.267 . . 1 . . . . . . . . 4460 1 162 . 1 1 23 23 GLU CA C 13 56.88 . . 1 . . . . . . . . 4460 1 163 . 1 1 23 23 GLU CB C 13 30.12 . . 1 . . . . . . . . 4460 1 164 . 1 1 23 23 GLU CG C 13 36.32 . . 1 . . . . . . . . 4460 1 165 . 1 1 23 23 GLU N N 15 123.11 . . 1 . . . . . . . . 4460 1 166 . 1 1 24 24 ALA H H 1 8.253 . . 1 . . . . . . . . 4460 1 167 . 1 1 24 24 ALA HA H 1 4.284 . . 1 . . . . . . . . 4460 1 168 . 1 1 24 24 ALA HB1 H 1 1.380 . . 1 . . . . . . . . 4460 1 169 . 1 1 24 24 ALA HB2 H 1 1.380 . . 1 . . . . . . . . 4460 1 170 . 1 1 24 24 ALA HB3 H 1 1.380 . . 1 . . . . . . . . 4460 1 171 . 1 1 24 24 ALA CA C 13 52.86 . . 1 . . . . . . . . 4460 1 172 . 1 1 24 24 ALA CB C 13 19.23 . . 1 . . . . . . . . 4460 1 173 . 1 1 24 24 ALA N N 15 124.33 . . 1 . . . . . . . . 4460 1 174 . 1 1 25 25 GLY H H 1 8.223 . . 1 . . . . . . . . 4460 1 175 . 1 1 25 25 GLY HA2 H 1 3.841 . . 1 . . . . . . . . 4460 1 176 . 1 1 25 25 GLY HA3 H 1 3.841 . . 1 . . . . . . . . 4460 1 177 . 1 1 25 25 GLY CA C 13 45.36 . . 1 . . . . . . . . 4460 1 178 . 1 1 25 25 GLY N N 15 107.42 . . 1 . . . . . . . . 4460 1 179 . 1 1 26 26 ASN H H 1 8.087 . . 1 . . . . . . . . 4460 1 180 . 1 1 26 26 ASN HA H 1 4.601 . . 1 . . . . . . . . 4460 1 181 . 1 1 26 26 ASN HB2 H 1 2.748 . . 2 . . . . . . . . 4460 1 182 . 1 1 26 26 ASN HB3 H 1 2.660 . . 2 . . . . . . . . 4460 1 183 . 1 1 26 26 ASN HD21 H 1 8.087 . . 2 . . . . . . . . 4460 1 184 . 1 1 26 26 ASN HD22 H 1 6.848 . . 2 . . . . . . . . 4460 1 185 . 1 1 26 26 ASN CA C 13 52.91 . . 1 . . . . . . . . 4460 1 186 . 1 1 26 26 ASN CB C 13 38.83 . . 1 . . . . . . . . 4460 1 187 . 1 1 26 26 ASN N N 15 118.34 . . 1 . . . . . . . . 4460 1 188 . 1 1 26 26 ASN ND2 N 15 112.15 . . 1 . . . . . . . . 4460 1 189 . 1 1 27 27 PHE H H 1 8.271 . . 1 . . . . . . . . 4460 1 190 . 1 1 27 27 PHE HA H 1 4.616 . . 1 . . . . . . . . 4460 1 191 . 1 1 27 27 PHE HB2 H 1 3.177 . . 2 . . . . . . . . 4460 1 192 . 1 1 27 27 PHE HB3 H 1 3.022 . . 2 . . . . . . . . 4460 1 193 . 1 1 27 27 PHE CA C 13 57.90 . . 1 . . . . . . . . 4460 1 194 . 1 1 27 27 PHE CB C 13 39.28 . . 1 . . . . . . . . 4460 1 195 . 1 1 27 27 PHE N N 15 120.91 . . 1 . . . . . . . . 4460 1 196 . 1 1 28 28 GLY H H 1 8.348 . . 1 . . . . . . . . 4460 1 197 . 1 1 28 28 GLY HA2 H 1 3.901 . . 1 . . . . . . . . 4460 1 198 . 1 1 28 28 GLY HA3 H 1 3.901 . . 1 . . . . . . . . 4460 1 199 . 1 1 28 28 GLY CA C 13 45.57 . . 1 . . . . . . . . 4460 1 200 . 1 1 28 28 GLY N N 15 110.63 . . 1 . . . . . . . . 4460 1 201 . 1 1 29 29 GLY H H 1 8.041 . . 1 . . . . . . . . 4460 1 202 . 1 1 29 29 GLY HA2 H 1 3.921 . . 1 . . . . . . . . 4460 1 203 . 1 1 29 29 GLY HA3 H 1 3.921 . . 1 . . . . . . . . 4460 1 204 . 1 1 29 29 GLY CA C 13 45.56 . . 1 . . . . . . . . 4460 1 205 . 1 1 29 29 GLY N N 15 108.49 . . 1 . . . . . . . . 4460 1 206 . 1 1 30 30 ASN HA H 1 4.629 . . 1 . . . . . . . . 4460 1 207 . 1 1 30 30 ASN HB2 H 1 2.749 . . 1 . . . . . . . . 4460 1 208 . 1 1 30 30 ASN HB3 H 1 2.749 . . 1 . . . . . . . . 4460 1 209 . 1 1 30 30 ASN HD21 H 1 7.591 . . 2 . . . . . . . . 4460 1 210 . 1 1 30 30 ASN HD22 H 1 6.905 . . 2 . . . . . . . . 4460 1 211 . 1 1 30 30 ASN CA C 13 53.20 . . 1 . . . . . . . . 4460 1 212 . 1 1 30 30 ASN CB C 13 38.98 . . 1 . . . . . . . . 4460 1 213 . 1 1 30 30 ASN ND2 N 15 112.15 . . 1 . . . . . . . . 4460 1 214 . 1 1 31 31 SER H H 1 8.127 . . 1 . . . . . . . . 4460 1 215 . 1 1 31 31 SER HA H 1 4.370 . . 1 . . . . . . . . 4460 1 216 . 1 1 31 31 SER HB2 H 1 3.787 . . 1 . . . . . . . . 4460 1 217 . 1 1 31 31 SER HB3 H 1 3.787 . . 1 . . . . . . . . 4460 1 218 . 1 1 31 31 SER CA C 13 58.54 . . 1 . . . . . . . . 4460 1 219 . 1 1 31 31 SER CB C 13 63.79 . . 1 . . . . . . . . 4460 1 220 . 1 1 31 31 SER N N 15 116.07 . . 1 . . . . . . . . 4460 1 221 . 1 1 32 32 PHE H H 1 8.084 . . 1 . . . . . . . . 4460 1 222 . 1 1 32 32 PHE HA H 1 4.604 . . 1 . . . . . . . . 4460 1 223 . 1 1 32 32 PHE HB2 H 1 3.049 . . 1 . . . . . . . . 4460 1 224 . 1 1 32 32 PHE HB3 H 1 3.049 . . 1 . . . . . . . . 4460 1 225 . 1 1 32 32 PHE HD1 H 1 7.194 . . 1 . . . . . . . . 4460 1 226 . 1 1 32 32 PHE HD2 H 1 7.194 . . 1 . . . . . . . . 4460 1 227 . 1 1 32 32 PHE CA C 13 57.71 . . 1 . . . . . . . . 4460 1 228 . 1 1 32 32 PHE CB C 13 39.52 . . 1 . . . . . . . . 4460 1 229 . 1 1 32 32 PHE N N 15 121.55 . . 1 . . . . . . . . 4460 1 230 . 1 1 33 33 MET H H 1 8.113 . . 1 . . . . . . . . 4460 1 231 . 1 1 33 33 MET HA H 1 4.740 . . 1 . . . . . . . . 4460 1 232 . 1 1 33 33 MET HB2 H 1 1.971 . . 1 . . . . . . . . 4460 1 233 . 1 1 33 33 MET HB3 H 1 1.876 . . 1 . . . . . . . . 4460 1 234 . 1 1 33 33 MET HG2 H 1 2.472 . . 1 . . . . . . . . 4460 1 235 . 1 1 33 33 MET HG3 H 1 2.472 . . 1 . . . . . . . . 4460 1 236 . 1 1 33 33 MET CA C 13 52.70 . . 1 . . . . . . . . 4460 1 237 . 1 1 33 33 MET CB C 13 32.75 . . 1 . . . . . . . . 4460 1 238 . 1 1 33 33 MET N N 15 123.69 . . 1 . . . . . . . . 4460 1 239 . 1 1 34 34 PRO HA H 1 4.311 . . 1 . . . . . . . . 4460 1 240 . 1 1 34 34 PRO HB2 H 1 2.268 . . 2 . . . . . . . . 4460 1 241 . 1 1 34 34 PRO HB3 H 1 1.945 . . 2 . . . . . . . . 4460 1 242 . 1 1 34 34 PRO HD2 H 1 3.657 . . 1 . . . . . . . . 4460 1 243 . 1 1 34 34 PRO HD3 H 1 3.657 . . 1 . . . . . . . . 4460 1 244 . 1 1 34 34 PRO CA C 13 62.96 . . 1 . . . . . . . . 4460 1 245 . 1 1 34 34 PRO CB C 13 32.32 . . 1 . . . . . . . . 4460 1 246 . 1 1 34 34 PRO CG C 13 27.51 . . 1 . . . . . . . . 4460 1 247 . 1 1 34 34 PRO CD C 13 50.62 . . 1 . . . . . . . . 4460 1 248 . 1 1 35 35 ALA H H 1 8.491 . . 1 . . . . . . . . 4460 1 249 . 1 1 35 35 ALA HA H 1 4.309 . . 1 . . . . . . . . 4460 1 250 . 1 1 35 35 ALA HB1 H 1 1.400 . . 1 . . . . . . . . 4460 1 251 . 1 1 35 35 ALA HB2 H 1 1.400 . . 1 . . . . . . . . 4460 1 252 . 1 1 35 35 ALA HB3 H 1 1.400 . . 1 . . . . . . . . 4460 1 253 . 1 1 35 35 ALA CA C 13 52.49 . . 1 . . . . . . . . 4460 1 254 . 1 1 35 35 ALA CB C 13 18.77 . . 1 . . . . . . . . 4460 1 255 . 1 1 35 35 ALA N N 15 125.08 . . 1 . . . . . . . . 4460 1 256 . 1 1 36 36 ASN H H 1 8.213 . . 1 . . . . . . . . 4460 1 257 . 1 1 36 36 ASN HA H 1 4.663 . . 1 . . . . . . . . 4460 1 258 . 1 1 36 36 ASN HB2 H 1 3.011 . . 2 . . . . . . . . 4460 1 259 . 1 1 36 36 ASN HB3 H 1 2.831 . . 2 . . . . . . . . 4460 1 260 . 1 1 36 36 ASN HD21 H 1 7.628 . . 2 . . . . . . . . 4460 1 261 . 1 1 36 36 ASN HD22 H 1 7.346 . . 2 . . . . . . . . 4460 1 262 . 1 1 36 36 ASN CA C 13 53.03 . . 1 . . . . . . . . 4460 1 263 . 1 1 36 36 ASN CB C 13 38.66 . . 1 . . . . . . . . 4460 1 264 . 1 1 36 36 ASN N N 15 116.63 . . 1 . . . . . . . . 4460 1 265 . 1 1 36 36 ASN ND2 N 15 111.80 . . 1 . . . . . . . . 4460 1 266 . 1 1 37 37 GLY H H 1 8.301 . . 1 . . . . . . . . 4460 1 267 . 1 1 37 37 GLY HA2 H 1 4.057 . . 2 . . . . . . . . 4460 1 268 . 1 1 37 37 GLY HA3 H 1 3.841 . . 2 . . . . . . . . 4460 1 269 . 1 1 37 37 GLY CA C 13 45.57 . . 1 . . . . . . . . 4460 1 270 . 1 1 37 37 GLY N N 15 108.07 . . 1 . . . . . . . . 4460 1 271 . 1 1 38 38 LEU H H 1 7.706 . . 1 . . . . . . . . 4460 1 272 . 1 1 38 38 LEU HA H 1 4.659 . . 1 . . . . . . . . 4460 1 273 . 1 1 38 38 LEU HB2 H 1 1.682 . . 1 . . . . . . . . 4460 1 274 . 1 1 38 38 LEU HB3 H 1 1.550 . . 1 . . . . . . . . 4460 1 275 . 1 1 38 38 LEU HD11 H 1 0.563 . . 1 . . . . . . . . 4460 1 276 . 1 1 38 38 LEU HD12 H 1 0.563 . . 1 . . . . . . . . 4460 1 277 . 1 1 38 38 LEU HD13 H 1 0.563 . . 1 . . . . . . . . 4460 1 278 . 1 1 38 38 LEU HD21 H 1 0.790 . . 1 . . . . . . . . 4460 1 279 . 1 1 38 38 LEU HD22 H 1 0.790 . . 1 . . . . . . . . 4460 1 280 . 1 1 38 38 LEU HD23 H 1 0.790 . . 1 . . . . . . . . 4460 1 281 . 1 1 38 38 LEU CA C 13 54.06 . . 1 . . . . . . . . 4460 1 282 . 1 1 38 38 LEU CB C 13 42.82 . . 1 . . . . . . . . 4460 1 283 . 1 1 38 38 LEU CG C 13 25.68 . . 1 . . . . . . . . 4460 1 284 . 1 1 38 38 LEU CD1 C 13 25.68 . . 1 . . . . . . . . 4460 1 285 . 1 1 38 38 LEU CD2 C 13 23.48 . . 1 . . . . . . . . 4460 1 286 . 1 1 38 38 LEU N N 15 120.73 . . 1 . . . . . . . . 4460 1 287 . 1 1 39 39 THR H H 1 8.062 . . 1 . . . . . . . . 4460 1 288 . 1 1 39 39 THR HA H 1 4.352 . . 1 . . . . . . . . 4460 1 289 . 1 1 39 39 THR HB H 1 4.655 . . 1 . . . . . . . . 4460 1 290 . 1 1 39 39 THR HG21 H 1 1.141 . . 1 . . . . . . . . 4460 1 291 . 1 1 39 39 THR HG22 H 1 1.141 . . 1 . . . . . . . . 4460 1 292 . 1 1 39 39 THR HG23 H 1 1.141 . . 1 . . . . . . . . 4460 1 293 . 1 1 39 39 THR CA C 13 61.02 . . 1 . . . . . . . . 4460 1 294 . 1 1 39 39 THR CB C 13 70.97 . . 1 . . . . . . . . 4460 1 295 . 1 1 39 39 THR CG2 C 13 21.45 . . 1 . . . . . . . . 4460 1 296 . 1 1 39 39 THR N N 15 111.06 . . 1 . . . . . . . . 4460 1 297 . 1 1 40 40 VAL H H 1 8.623 . . 1 . . . . . . . . 4460 1 298 . 1 1 40 40 VAL HA H 1 3.687 . . 1 . . . . . . . . 4460 1 299 . 1 1 40 40 VAL HB H 1 2.009 . . 1 . . . . . . . . 4460 1 300 . 1 1 40 40 VAL HG11 H 1 0.924 . . 1 . . . . . . . . 4460 1 301 . 1 1 40 40 VAL HG12 H 1 0.924 . . 1 . . . . . . . . 4460 1 302 . 1 1 40 40 VAL HG13 H 1 0.924 . . 1 . . . . . . . . 4460 1 303 . 1 1 40 40 VAL HG21 H 1 1.097 . . 1 . . . . . . . . 4460 1 304 . 1 1 40 40 VAL HG22 H 1 1.097 . . 1 . . . . . . . . 4460 1 305 . 1 1 40 40 VAL HG23 H 1 1.097 . . 1 . . . . . . . . 4460 1 306 . 1 1 40 40 VAL CA C 13 67.10 . . 1 . . . . . . . . 4460 1 307 . 1 1 40 40 VAL CB C 13 31.77 . . 1 . . . . . . . . 4460 1 308 . 1 1 40 40 VAL CG1 C 13 20.83 . . 1 . . . . . . . . 4460 1 309 . 1 1 40 40 VAL CG2 C 13 22.65 . . 1 . . . . . . . . 4460 1 310 . 1 1 40 40 VAL N N 15 121.33 . . 1 . . . . . . . . 4460 1 311 . 1 1 41 41 ALA H H 1 8.346 . . 1 . . . . . . . . 4460 1 312 . 1 1 41 41 ALA HA H 1 4.111 . . 1 . . . . . . . . 4460 1 313 . 1 1 41 41 ALA HB1 H 1 1.347 . . 1 . . . . . . . . 4460 1 314 . 1 1 41 41 ALA HB2 H 1 1.347 . . 1 . . . . . . . . 4460 1 315 . 1 1 41 41 ALA HB3 H 1 1.347 . . 1 . . . . . . . . 4460 1 316 . 1 1 41 41 ALA CA C 13 55.24 . . 1 . . . . . . . . 4460 1 317 . 1 1 41 41 ALA CB C 13 19.06 . . 1 . . . . . . . . 4460 1 318 . 1 1 41 41 ALA N N 15 121.12 . . 1 . . . . . . . . 4460 1 319 . 1 1 42 42 GLN H H 1 7.476 . . 1 . . . . . . . . 4460 1 320 . 1 1 42 42 GLN HA H 1 3.647 . . 1 . . . . . . . . 4460 1 321 . 1 1 42 42 GLN HB2 H 1 2.312 . . 1 . . . . . . . . 4460 1 322 . 1 1 42 42 GLN HB3 H 1 1.749 . . 1 . . . . . . . . 4460 1 323 . 1 1 42 42 GLN HG2 H 1 2.312 . . 2 . . . . . . . . 4460 1 324 . 1 1 42 42 GLN HG3 H 1 2.200 . . 2 . . . . . . . . 4460 1 325 . 1 1 42 42 GLN HE21 H 1 6.955 . . 2 . . . . . . . . 4460 1 326 . 1 1 42 42 GLN HE22 H 1 5.479 . . 2 . . . . . . . . 4460 1 327 . 1 1 42 42 GLN CA C 13 59.10 . . 1 . . . . . . . . 4460 1 328 . 1 1 42 42 GLN CB C 13 27.90 . . 1 . . . . . . . . 4460 1 329 . 1 1 42 42 GLN CG C 13 33.98 . . 1 . . . . . . . . 4460 1 330 . 1 1 42 42 GLN N N 15 114.70 . . 1 . . . . . . . . 4460 1 331 . 1 1 42 42 GLN NE2 N 15 108.07 . . 1 . . . . . . . . 4460 1 332 . 1 1 43 43 ASN H H 1 8.645 . . 1 . . . . . . . . 4460 1 333 . 1 1 43 43 ASN HA H 1 4.351 . . 1 . . . . . . . . 4460 1 334 . 1 1 43 43 ASN HB2 H 1 2.740 . . 2 . . . . . . . . 4460 1 335 . 1 1 43 43 ASN HB3 H 1 2.665 . . 2 . . . . . . . . 4460 1 336 . 1 1 43 43 ASN HD21 H 1 7.125 . . 1 . . . . . . . . 4460 1 337 . 1 1 43 43 ASN HD22 H 1 7.125 . . 1 . . . . . . . . 4460 1 338 . 1 1 43 43 ASN CA C 13 56.60 . . 1 . . . . . . . . 4460 1 339 . 1 1 43 43 ASN CB C 13 39.48 . . 1 . . . . . . . . 4460 1 340 . 1 1 43 43 ASN N N 15 116.84 . . 1 . . . . . . . . 4460 1 341 . 1 1 43 43 ASN ND2 N 15 114.91 . . 1 . . . . . . . . 4460 1 342 . 1 1 44 44 GLN H H 1 8.390 . . 1 . . . . . . . . 4460 1 343 . 1 1 44 44 GLN HA H 1 4.026 . . 1 . . . . . . . . 4460 1 344 . 1 1 44 44 GLN HB2 H 1 2.311 . . 1 . . . . . . . . 4460 1 345 . 1 1 44 44 GLN HB3 H 1 2.010 . . 1 . . . . . . . . 4460 1 346 . 1 1 44 44 GLN HG2 H 1 2.664 . . 2 . . . . . . . . 4460 1 347 . 1 1 44 44 GLN HG3 H 1 2.311 . . 2 . . . . . . . . 4460 1 348 . 1 1 44 44 GLN HE21 H 1 7.159 . . 1 . . . . . . . . 4460 1 349 . 1 1 44 44 GLN HE22 H 1 6.789 . . 1 . . . . . . . . 4460 1 350 . 1 1 44 44 GLN CA C 13 59.62 . . 1 . . . . . . . . 4460 1 351 . 1 1 44 44 GLN CB C 13 28.45 . . 1 . . . . . . . . 4460 1 352 . 1 1 44 44 GLN CG C 13 34.80 . . 1 . . . . . . . . 4460 1 353 . 1 1 44 44 GLN N N 15 119.62 . . 1 . . . . . . . . 4460 1 354 . 1 1 44 44 GLN NE2 N 15 110.42 . . 1 . . . . . . . . 4460 1 355 . 1 1 45 45 VAL H H 1 7.691 . . 1 . . . . . . . . 4460 1 356 . 1 1 45 45 VAL HA H 1 3.411 . . 1 . . . . . . . . 4460 1 357 . 1 1 45 45 VAL HB H 1 2.008 . . 1 . . . . . . . . 4460 1 358 . 1 1 45 45 VAL HG11 H 1 0.706 . . 1 . . . . . . . . 4460 1 359 . 1 1 45 45 VAL HG12 H 1 0.706 . . 1 . . . . . . . . 4460 1 360 . 1 1 45 45 VAL HG13 H 1 0.706 . . 1 . . . . . . . . 4460 1 361 . 1 1 45 45 VAL HG21 H 1 0.924 . . 1 . . . . . . . . 4460 1 362 . 1 1 45 45 VAL HG22 H 1 0.924 . . 1 . . . . . . . . 4460 1 363 . 1 1 45 45 VAL HG23 H 1 0.924 . . 1 . . . . . . . . 4460 1 364 . 1 1 45 45 VAL CA C 13 66.83 . . 1 . . . . . . . . 4460 1 365 . 1 1 45 45 VAL CB C 13 31.77 . . 1 . . . . . . . . 4460 1 366 . 1 1 45 45 VAL CG1 C 13 22.37 . . 1 . . . . . . . . 4460 1 367 . 1 1 45 45 VAL CG2 C 13 23.48 . . 1 . . . . . . . . 4460 1 368 . 1 1 45 45 VAL N N 15 118.77 . . 1 . . . . . . . . 4460 1 369 . 1 1 46 46 LEU H H 1 8.302 . . 1 . . . . . . . . 4460 1 370 . 1 1 46 46 LEU HA H 1 3.823 . . 1 . . . . . . . . 4460 1 371 . 1 1 46 46 LEU HB2 H 1 1.964 . . 2 . . . . . . . . 4460 1 372 . 1 1 46 46 LEU HB3 H 1 1.461 . . 2 . . . . . . . . 4460 1 373 . 1 1 46 46 LEU HD11 H 1 0.922 . . 1 . . . . . . . . 4460 1 374 . 1 1 46 46 LEU HD12 H 1 0.922 . . 1 . . . . . . . . 4460 1 375 . 1 1 46 46 LEU HD13 H 1 0.922 . . 1 . . . . . . . . 4460 1 376 . 1 1 46 46 LEU HD21 H 1 0.795 . . 1 . . . . . . . . 4460 1 377 . 1 1 46 46 LEU HD22 H 1 0.795 . . 1 . . . . . . . . 4460 1 378 . 1 1 46 46 LEU HD23 H 1 0.795 . . 1 . . . . . . . . 4460 1 379 . 1 1 46 46 LEU CA C 13 57.99 . . 1 . . . . . . . . 4460 1 380 . 1 1 46 46 LEU CB C 13 41.42 . . 1 . . . . . . . . 4460 1 381 . 1 1 46 46 LEU CG C 13 25.96 . . 1 . . . . . . . . 4460 1 382 . 1 1 46 46 LEU CD1 C 13 23.64 . . 1 . . . . . . . . 4460 1 383 . 1 1 46 46 LEU CD2 C 13 25.96 . . 1 . . . . . . . . 4460 1 384 . 1 1 46 46 LEU N N 15 119.19 . . 1 . . . . . . . . 4460 1 385 . 1 1 47 47 ASN H H 1 8.606 . . 1 . . . . . . . . 4460 1 386 . 1 1 47 47 ASN HA H 1 4.351 . . 1 . . . . . . . . 4460 1 387 . 1 1 47 47 ASN HB2 H 1 2.876 . . 1 . . . . . . . . 4460 1 388 . 1 1 47 47 ASN HB3 H 1 2.701 . . 1 . . . . . . . . 4460 1 389 . 1 1 47 47 ASN HD21 H 1 7.519 . . 2 . . . . . . . . 4460 1 390 . 1 1 47 47 ASN HD22 H 1 6.774 . . 2 . . . . . . . . 4460 1 391 . 1 1 47 47 ASN CA C 13 56.06 . . 1 . . . . . . . . 4460 1 392 . 1 1 47 47 ASN CB C 13 37.83 . . 1 . . . . . . . . 4460 1 393 . 1 1 47 47 ASN N N 15 116.20 . . 1 . . . . . . . . 4460 1 394 . 1 1 47 47 ASN ND2 N 15 111.06 . . 1 . . . . . . . . 4460 1 395 . 1 1 48 48 LEU H H 1 7.389 . . 1 . . . . . . . . 4460 1 396 . 1 1 48 48 LEU HA H 1 4.097 . . 1 . . . . . . . . 4460 1 397 . 1 1 48 48 LEU HB2 H 1 1.834 . . 1 . . . . . . . . 4460 1 398 . 1 1 48 48 LEU HB3 H 1 1.357 . . 1 . . . . . . . . 4460 1 399 . 1 1 48 48 LEU HD11 H 1 0.879 . . 1 . . . . . . . . 4460 1 400 . 1 1 48 48 LEU HD12 H 1 0.879 . . 1 . . . . . . . . 4460 1 401 . 1 1 48 48 LEU HD13 H 1 0.879 . . 1 . . . . . . . . 4460 1 402 . 1 1 48 48 LEU HD21 H 1 0.857 . . 1 . . . . . . . . 4460 1 403 . 1 1 48 48 LEU HD22 H 1 0.857 . . 1 . . . . . . . . 4460 1 404 . 1 1 48 48 LEU HD23 H 1 0.857 . . 1 . . . . . . . . 4460 1 405 . 1 1 48 48 LEU CA C 13 58.00 . . 1 . . . . . . . . 4460 1 406 . 1 1 48 48 LEU CB C 13 41.71 . . 1 . . . . . . . . 4460 1 407 . 1 1 48 48 LEU CG C 13 26.24 . . 1 . . . . . . . . 4460 1 408 . 1 1 48 48 LEU CD1 C 13 26.24 . . 1 . . . . . . . . 4460 1 409 . 1 1 48 48 LEU CD2 C 13 23.49 . . 1 . . . . . . . . 4460 1 410 . 1 1 48 48 LEU N N 15 120.26 . . 1 . . . . . . . . 4460 1 411 . 1 1 49 49 ILE H H 1 7.737 . . 1 . . . . . . . . 4460 1 412 . 1 1 49 49 ILE HA H 1 3.665 . . 1 . . . . . . . . 4460 1 413 . 1 1 49 49 ILE HB H 1 1.926 . . 1 . . . . . . . . 4460 1 414 . 1 1 49 49 ILE HG12 H 1 1.966 . . 2 . . . . . . . . 4460 1 415 . 1 1 49 49 ILE HG13 H 1 0.880 . . 2 . . . . . . . . 4460 1 416 . 1 1 49 49 ILE HG21 H 1 0.877 . . 1 . . . . . . . . 4460 1 417 . 1 1 49 49 ILE HG22 H 1 0.877 . . 1 . . . . . . . . 4460 1 418 . 1 1 49 49 ILE HG23 H 1 0.877 . . 1 . . . . . . . . 4460 1 419 . 1 1 49 49 ILE HD11 H 1 0.663 . . 1 . . . . . . . . 4460 1 420 . 1 1 49 49 ILE HD12 H 1 0.663 . . 1 . . . . . . . . 4460 1 421 . 1 1 49 49 ILE HD13 H 1 0.663 . . 1 . . . . . . . . 4460 1 422 . 1 1 49 49 ILE CA C 13 66.00 . . 1 . . . . . . . . 4460 1 423 . 1 1 49 49 ILE CB C 13 38.66 . . 1 . . . . . . . . 4460 1 424 . 1 1 49 49 ILE CG1 C 13 30.67 . . 1 . . . . . . . . 4460 1 425 . 1 1 49 49 ILE CG2 C 13 17.13 . . 1 . . . . . . . . 4460 1 426 . 1 1 49 49 ILE CD1 C 13 15.47 . . 1 . . . . . . . . 4460 1 427 . 1 1 49 49 ILE N N 15 120.26 . . 1 . . . . . . . . 4460 1 428 . 1 1 50 50 LYS H H 1 8.996 . . 1 . . . . . . . . 4460 1 429 . 1 1 50 50 LYS HA H 1 4.135 . . 1 . . . . . . . . 4460 1 430 . 1 1 50 50 LYS HB2 H 1 1.878 . . 1 . . . . . . . . 4460 1 431 . 1 1 50 50 LYS HB3 H 1 1.878 . . 1 . . . . . . . . 4460 1 432 . 1 1 50 50 LYS HG2 H 1 1.661 . . 1 . . . . . . . . 4460 1 433 . 1 1 50 50 LYS HG3 H 1 1.661 . . 1 . . . . . . . . 4460 1 434 . 1 1 50 50 LYS HD2 H 1 1.560 . . 1 . . . . . . . . 4460 1 435 . 1 1 50 50 LYS HD3 H 1 1.560 . . 1 . . . . . . . . 4460 1 436 . 1 1 50 50 LYS HE2 H 1 2.986 . . 2 . . . . . . . . 4460 1 437 . 1 1 50 50 LYS HE3 H 1 2.887 . . 2 . . . . . . . . 4460 1 438 . 1 1 50 50 LYS CA C 13 59.65 . . 1 . . . . . . . . 4460 1 439 . 1 1 50 50 LYS CB C 13 33.23 . . 1 . . . . . . . . 4460 1 440 . 1 1 50 50 LYS CG C 13 26.06 . . 1 . . . . . . . . 4460 1 441 . 1 1 50 50 LYS CD C 13 29.90 . . 1 . . . . . . . . 4460 1 442 . 1 1 50 50 LYS CE C 13 41.83 . . 1 . . . . . . . . 4460 1 443 . 1 1 50 50 LYS N N 15 120.48 . . 1 . . . . . . . . 4460 1 444 . 1 1 51 51 ALA H H 1 7.303 . . 1 . . . . . . . . 4460 1 445 . 1 1 51 51 ALA HA H 1 4.265 . . 1 . . . . . . . . 4460 1 446 . 1 1 51 51 ALA HB1 H 1 1.487 . . 1 . . . . . . . . 4460 1 447 . 1 1 51 51 ALA HB2 H 1 1.487 . . 1 . . . . . . . . 4460 1 448 . 1 1 51 51 ALA HB3 H 1 1.487 . . 1 . . . . . . . . 4460 1 449 . 1 1 51 51 ALA CA C 13 52.47 . . 1 . . . . . . . . 4460 1 450 . 1 1 51 51 ALA CB C 13 19.20 . . 1 . . . . . . . . 4460 1 451 . 1 1 51 51 ALA N N 15 117.70 . . 1 . . . . . . . . 4460 1 452 . 1 1 52 52 CYS H H 1 7.304 . . 1 . . . . . . . . 4460 1 453 . 1 1 52 52 CYS HA H 1 4.744 . . 1 . . . . . . . . 4460 1 454 . 1 1 52 52 CYS HB2 H 1 3.138 . . 1 . . . . . . . . 4460 1 455 . 1 1 52 52 CYS HB3 H 1 3.138 . . 1 . . . . . . . . 4460 1 456 . 1 1 52 52 CYS CA C 13 56.73 . . 1 . . . . . . . . 4460 1 457 . 1 1 52 52 CYS CB C 13 28.47 . . 1 . . . . . . . . 4460 1 458 . 1 1 52 52 CYS N N 15 120.79 . . 1 . . . . . . . . 4460 1 459 . 1 1 53 53 PRO HA H 1 4.746 . . 1 . . . . . . . . 4460 1 460 . 1 1 53 53 PRO HB2 H 1 2.171 . . 1 . . . . . . . . 4460 1 461 . 1 1 53 53 PRO HB3 H 1 2.171 . . 1 . . . . . . . . 4460 1 462 . 1 1 53 53 PRO HG2 H 1 1.908 . . 1 . . . . . . . . 4460 1 463 . 1 1 53 53 PRO HG3 H 1 1.908 . . 1 . . . . . . . . 4460 1 464 . 1 1 53 53 PRO HD2 H 1 4.226 . . 2 . . . . . . . . 4460 1 465 . 1 1 53 53 PRO HD3 H 1 3.961 . . 2 . . . . . . . . 4460 1 466 . 1 1 53 53 PRO CA C 13 63.49 . . 1 . . . . . . . . 4460 1 467 . 1 1 53 53 PRO CB C 13 32.21 . . 1 . . . . . . . . 4460 1 468 . 1 1 53 53 PRO CG C 13 26.41 . . 1 . . . . . . . . 4460 1 469 . 1 1 53 53 PRO CD C 13 51.02 . . 1 . . . . . . . . 4460 1 470 . 1 1 54 54 ARG H H 1 7.649 . . 1 . . . . . . . . 4460 1 471 . 1 1 54 54 ARG HA H 1 4.565 . . 1 . . . . . . . . 4460 1 472 . 1 1 54 54 ARG HB2 H 1 2.098 . . 1 . . . . . . . . 4460 1 473 . 1 1 54 54 ARG HB3 H 1 2.098 . . 1 . . . . . . . . 4460 1 474 . 1 1 54 54 ARG HG2 H 1 1.705 . . 1 . . . . . . . . 4460 1 475 . 1 1 54 54 ARG HG3 H 1 1.705 . . 1 . . . . . . . . 4460 1 476 . 1 1 54 54 ARG HD2 H 1 3.267 . . 1 . . . . . . . . 4460 1 477 . 1 1 54 54 ARG HD3 H 1 3.267 . . 1 . . . . . . . . 4460 1 478 . 1 1 54 54 ARG CA C 13 54.96 . . 1 . . . . . . . . 4460 1 479 . 1 1 54 54 ARG CB C 13 29.35 . . 1 . . . . . . . . 4460 1 480 . 1 1 54 54 ARG N N 15 122.40 . . 1 . . . . . . . . 4460 1 481 . 1 1 55 55 PRO HA H 1 4.268 . . 1 . . . . . . . . 4460 1 482 . 1 1 55 55 PRO HB2 H 1 1.965 . . 1 . . . . . . . . 4460 1 483 . 1 1 55 55 PRO HB3 H 1 2.399 . . 1 . . . . . . . . 4460 1 484 . 1 1 55 55 PRO HG2 H 1 2.220 . . 2 . . . . . . . . 4460 1 485 . 1 1 55 55 PRO HG3 H 1 2.095 . . 2 . . . . . . . . 4460 1 486 . 1 1 55 55 PRO HD2 H 1 3.965 . . 2 . . . . . . . . 4460 1 487 . 1 1 55 55 PRO HD3 H 1 3.875 . . 2 . . . . . . . . 4460 1 488 . 1 1 55 55 PRO CA C 13 65.46 . . 1 . . . . . . . . 4460 1 489 . 1 1 55 55 PRO CB C 13 31.80 . . 1 . . . . . . . . 4460 1 490 . 1 1 55 55 PRO CG C 13 27.63 . . 1 . . . . . . . . 4460 1 491 . 1 1 55 55 PRO CD C 13 50.82 . . 1 . . . . . . . . 4460 1 492 . 1 1 56 56 GLU H H 1 9.905 . . 1 . . . . . . . . 4460 1 493 . 1 1 56 56 GLU HA H 1 4.194 . . 1 . . . . . . . . 4460 1 494 . 1 1 56 56 GLU HB2 H 1 1.876 . . 2 . . . . . . . . 4460 1 495 . 1 1 56 56 GLU HB3 H 1 1.819 . . 2 . . . . . . . . 4460 1 496 . 1 1 56 56 GLU HG2 H 1 2.486 . . 2 . . . . . . . . 4460 1 497 . 1 1 56 56 GLU HG3 H 1 2.183 . . 2 . . . . . . . . 4460 1 498 . 1 1 56 56 GLU CA C 13 57.16 . . 1 . . . . . . . . 4460 1 499 . 1 1 56 56 GLU CB C 13 28.45 . . 1 . . . . . . . . 4460 1 500 . 1 1 56 56 GLU CG C 13 35.62 . . 1 . . . . . . . . 4460 1 501 . 1 1 56 56 GLU N N 15 115.77 . . 1 . . . . . . . . 4460 1 502 . 1 1 57 57 GLY H H 1 7.519 . . 1 . . . . . . . . 4460 1 503 . 1 1 57 57 GLY HA2 H 1 4.311 . . 2 . . . . . . . . 4460 1 504 . 1 1 57 57 GLY HA3 H 1 3.725 . . 2 . . . . . . . . 4460 1 505 . 1 1 57 57 GLY CA C 13 44.47 . . 1 . . . . . . . . 4460 1 506 . 1 1 57 57 GLY N N 15 108.16 . . 1 . . . . . . . . 4460 1 507 . 1 1 58 58 LEU H H 1 8.517 . . 1 . . . . . . . . 4460 1 508 . 1 1 58 58 LEU HA H 1 4.657 . . 1 . . . . . . . . 4460 1 509 . 1 1 58 58 LEU HB2 H 1 1.531 . . 1 . . . . . . . . 4460 1 510 . 1 1 58 58 LEU HB3 H 1 1.878 . . 1 . . . . . . . . 4460 1 511 . 1 1 58 58 LEU HD11 H 1 1.011 . . 1 . . . . . . . . 4460 1 512 . 1 1 58 58 LEU HD12 H 1 1.011 . . 1 . . . . . . . . 4460 1 513 . 1 1 58 58 LEU HD13 H 1 1.011 . . 1 . . . . . . . . 4460 1 514 . 1 1 58 58 LEU HD21 H 1 0.836 . . 1 . . . . . . . . 4460 1 515 . 1 1 58 58 LEU HD22 H 1 0.836 . . 1 . . . . . . . . 4460 1 516 . 1 1 58 58 LEU HD23 H 1 0.836 . . 1 . . . . . . . . 4460 1 517 . 1 1 58 58 LEU CA C 13 54.13 . . 1 . . . . . . . . 4460 1 518 . 1 1 58 58 LEU CB C 13 45.30 . . 1 . . . . . . . . 4460 1 519 . 1 1 58 58 LEU CG C 13 27.28 . . 1 . . . . . . . . 4460 1 520 . 1 1 58 58 LEU CD1 C 13 25.12 . . 1 . . . . . . . . 4460 1 521 . 1 1 58 58 LEU CD2 C 13 27.62 . . 1 . . . . . . . . 4460 1 522 . 1 1 58 58 LEU N N 15 119.91 . . 1 . . . . . . . . 4460 1 523 . 1 1 59 59 ASN H H 1 8.777 . . 1 . . . . . . . . 4460 1 524 . 1 1 59 59 ASN HA H 1 5.133 . . 1 . . . . . . . . 4460 1 525 . 1 1 59 59 ASN HB2 H 1 2.658 . . 1 . . . . . . . . 4460 1 526 . 1 1 59 59 ASN HB3 H 1 1.922 . . 1 . . . . . . . . 4460 1 527 . 1 1 59 59 ASN HD21 H 1 7.002 . . 2 . . . . . . . . 4460 1 528 . 1 1 59 59 ASN HD22 H 1 6.908 . . 2 . . . . . . . . 4460 1 529 . 1 1 59 59 ASN CA C 13 51.63 . . 1 . . . . . . . . 4460 1 530 . 1 1 59 59 ASN CB C 13 39.77 . . 1 . . . . . . . . 4460 1 531 . 1 1 59 59 ASN N N 15 122.40 . . 1 . . . . . . . . 4460 1 532 . 1 1 59 59 ASN ND2 N 15 112.56 . . 1 . . . . . . . . 4460 1 533 . 1 1 60 60 PHE H H 1 8.778 . . 1 . . . . . . . . 4460 1 534 . 1 1 60 60 PHE HA H 1 4.038 . . 1 . . . . . . . . 4460 1 535 . 1 1 60 60 PHE HB2 H 1 3.311 . . 1 . . . . . . . . 4460 1 536 . 1 1 60 60 PHE HB3 H 1 3.179 . . 1 . . . . . . . . 4460 1 537 . 1 1 60 60 PHE HD1 H 1 7.239 . . 1 . . . . . . . . 4460 1 538 . 1 1 60 60 PHE HD2 H 1 7.239 . . 1 . . . . . . . . 4460 1 539 . 1 1 60 60 PHE HE1 H 1 7.185 . . 1 . . . . . . . . 4460 1 540 . 1 1 60 60 PHE HE2 H 1 7.185 . . 1 . . . . . . . . 4460 1 541 . 1 1 60 60 PHE HZ H 1 7.279 . . 1 . . . . . . . . 4460 1 542 . 1 1 60 60 PHE CA C 13 62.41 . . 1 . . . . . . . . 4460 1 543 . 1 1 60 60 PHE CB C 13 39.92 . . 1 . . . . . . . . 4460 1 544 . 1 1 60 60 PHE N N 15 122.89 . . 1 . . . . . . . . 4460 1 545 . 1 1 61 61 GLN H H 1 8.473 . . 1 . . . . . . . . 4460 1 546 . 1 1 61 61 GLN HA H 1 3.842 . . 1 . . . . . . . . 4460 1 547 . 1 1 61 61 GLN HB2 H 1 2.094 . . 1 . . . . . . . . 4460 1 548 . 1 1 61 61 GLN HB3 H 1 2.094 . . 1 . . . . . . . . 4460 1 549 . 1 1 61 61 GLN HG2 H 1 2.442 . . 2 . . . . . . . . 4460 1 550 . 1 1 61 61 GLN HG3 H 1 2.394 . . 2 . . . . . . . . 4460 1 551 . 1 1 61 61 GLN HE21 H 1 7.635 . . 2 . . . . . . . . 4460 1 552 . 1 1 61 61 GLN HE22 H 1 6.985 . . 2 . . . . . . . . 4460 1 553 . 1 1 61 61 GLN CA C 13 58.82 . . 1 . . . . . . . . 4460 1 554 . 1 1 61 61 GLN CB C 13 27.90 . . 1 . . . . . . . . 4460 1 555 . 1 1 61 61 GLN CG C 13 33.70 . . 1 . . . . . . . . 4460 1 556 . 1 1 61 61 GLN N N 15 117.05 . . 1 . . . . . . . . 4460 1 557 . 1 1 61 61 GLN NE2 N 15 112.84 . . 1 . . . . . . . . 4460 1 558 . 1 1 62 62 ASP H H 1 7.953 . . 1 . . . . . . . . 4460 1 559 . 1 1 62 62 ASP HA H 1 4.468 . . 1 . . . . . . . . 4460 1 560 . 1 1 62 62 ASP HB2 H 1 2.919 . . 1 . . . . . . . . 4460 1 561 . 1 1 62 62 ASP HB3 H 1 2.659 . . 1 . . . . . . . . 4460 1 562 . 1 1 62 62 ASP CA C 13 57.43 . . 1 . . . . . . . . 4460 1 563 . 1 1 62 62 ASP CB C 13 41.15 . . 1 . . . . . . . . 4460 1 564 . 1 1 62 62 ASP N N 15 119.19 . . 1 . . . . . . . . 4460 1 565 . 1 1 63 63 LEU H H 1 7.735 . . 1 . . . . . . . . 4460 1 566 . 1 1 63 63 LEU HA H 1 3.830 . . 1 . . . . . . . . 4460 1 567 . 1 1 63 63 LEU HB2 H 1 1.663 . . 1 . . . . . . . . 4460 1 568 . 1 1 63 63 LEU HB3 H 1 1.458 . . 1 . . . . . . . . 4460 1 569 . 1 1 63 63 LEU HG H 1 1.487 . . 1 . . . . . . . . 4460 1 570 . 1 1 63 63 LEU HD11 H 1 0.707 . . 1 . . . . . . . . 4460 1 571 . 1 1 63 63 LEU HD12 H 1 0.707 . . 1 . . . . . . . . 4460 1 572 . 1 1 63 63 LEU HD13 H 1 0.707 . . 1 . . . . . . . . 4460 1 573 . 1 1 63 63 LEU HD21 H 1 0.707 . . 1 . . . . . . . . 4460 1 574 . 1 1 63 63 LEU HD22 H 1 0.707 . . 1 . . . . . . . . 4460 1 575 . 1 1 63 63 LEU HD23 H 1 0.707 . . 1 . . . . . . . . 4460 1 576 . 1 1 63 63 LEU CA C 13 58.28 . . 1 . . . . . . . . 4460 1 577 . 1 1 63 63 LEU CB C 13 41.98 . . 1 . . . . . . . . 4460 1 578 . 1 1 63 63 LEU CG C 13 26.81 . . 1 . . . . . . . . 4460 1 579 . 1 1 63 63 LEU CD1 C 13 25.411 . . 1 . . . . . . . . 4460 1 580 . 1 1 63 63 LEU CD2 C 13 25.844 . . 1 . . . . . . . . 4460 1 581 . 1 1 63 63 LEU N N 15 120.14 . . 1 . . . . . . . . 4460 1 582 . 1 1 64 64 LYS H H 1 7.972 . . 1 . . . . . . . . 4460 1 583 . 1 1 64 64 LYS HA H 1 3.647 . . 1 . . . . . . . . 4460 1 584 . 1 1 64 64 LYS HB2 H 1 1.620 . . 1 . . . . . . . . 4460 1 585 . 1 1 64 64 LYS HB3 H 1 1.620 . . 1 . . . . . . . . 4460 1 586 . 1 1 64 64 LYS HG2 H 1 1.313 . . 1 . . . . . . . . 4460 1 587 . 1 1 64 64 LYS HG3 H 1 1.313 . . 1 . . . . . . . . 4460 1 588 . 1 1 64 64 LYS HE2 H 1 2.919 . . 1 . . . . . . . . 4460 1 589 . 1 1 64 64 LYS HE3 H 1 2.919 . . 1 . . . . . . . . 4460 1 590 . 1 1 64 64 LYS CA C 13 58.89 . . 1 . . . . . . . . 4460 1 591 . 1 1 64 64 LYS CB C 13 31.75 . . 1 . . . . . . . . 4460 1 592 . 1 1 64 64 LYS CG C 13 24.31 . . 1 . . . . . . . . 4460 1 593 . 1 1 64 64 LYS CD C 13 29.72 . . 1 . . . . . . . . 4460 1 594 . 1 1 64 64 LYS CE C 13 41.97 . . 1 . . . . . . . . 4460 1 595 . 1 1 64 64 LYS N N 15 117.27 . . 1 . . . . . . . . 4460 1 596 . 1 1 65 65 ASN H H 1 7.848 . . 1 . . . . . . . . 4460 1 597 . 1 1 65 65 ASN HA H 1 4.447 . . 1 . . . . . . . . 4460 1 598 . 1 1 65 65 ASN HB2 H 1 2.950 . . 1 . . . . . . . . 4460 1 599 . 1 1 65 65 ASN HB3 H 1 2.877 . . 1 . . . . . . . . 4460 1 600 . 1 1 65 65 ASN HD21 H 1 7.768 . . 2 . . . . . . . . 4460 1 601 . 1 1 65 65 ASN HD22 H 1 7.001 . . 2 . . . . . . . . 4460 1 602 . 1 1 65 65 ASN CA C 13 54.96 . . 1 . . . . . . . . 4460 1 603 . 1 1 65 65 ASN CB C 13 38.66 . . 1 . . . . . . . . 4460 1 604 . 1 1 65 65 ASN N N 15 115.34 . . 1 . . . . . . . . 4460 1 605 . 1 1 65 65 ASN ND2 N 15 112.56 . . 1 . . . . . . . . 4460 1 606 . 1 1 66 66 GLN H H 1 7.650 . . 1 . . . . . . . . 4460 1 607 . 1 1 66 66 GLN HA H 1 4.351 . . 1 . . . . . . . . 4460 1 608 . 1 1 66 66 GLN HB2 H 1 2.008 . . 1 . . . . . . . . 4460 1 609 . 1 1 66 66 GLN HB3 H 1 2.267 . . 1 . . . . . . . . 4460 1 610 . 1 1 66 66 GLN HG2 H 1 2.616 . . 2 . . . . . . . . 4460 1 611 . 1 1 66 66 GLN HG3 H 1 2.401 . . 2 . . . . . . . . 4460 1 612 . 1 1 66 66 GLN HE21 H 1 7.266 . . 2 . . . . . . . . 4460 1 613 . 1 1 66 66 GLN HE22 H 1 6.677 . . 2 . . . . . . . . 4460 1 614 . 1 1 66 66 GLN CA C 13 57.16 . . 1 . . . . . . . . 4460 1 615 . 1 1 66 66 GLN CB C 13 30.65 . . 1 . . . . . . . . 4460 1 616 . 1 1 66 66 GLN CG C 13 34.80 . . 1 . . . . . . . . 4460 1 617 . 1 1 66 66 GLN N N 15 116.63 . . 1 . . . . . . . . 4460 1 618 . 1 1 66 66 GLN NE2 N 15 109.99 . . 1 . . . . . . . . 4460 1 619 . 1 1 67 67 LEU H H 1 7.694 . . 1 . . . . . . . . 4460 1 620 . 1 1 67 67 LEU HA H 1 4.663 . . 1 . . . . . . . . 4460 1 621 . 1 1 67 67 LEU HB2 H 1 1.661 . . 1 . . . . . . . . 4460 1 622 . 1 1 67 67 LEU HB3 H 1 1.128 . . 1 . . . . . . . . 4460 1 623 . 1 1 67 67 LEU HG H 1 1.487 . . 1 . . . . . . . . 4460 1 624 . 1 1 67 67 LEU HD11 H 1 0.751 . . 1 . . . . . . . . 4460 1 625 . 1 1 67 67 LEU HD12 H 1 0.751 . . 1 . . . . . . . . 4460 1 626 . 1 1 67 67 LEU HD13 H 1 0.751 . . 1 . . . . . . . . 4460 1 627 . 1 1 67 67 LEU HD21 H 1 0.834 . . 1 . . . . . . . . 4460 1 628 . 1 1 67 67 LEU HD22 H 1 0.834 . . 1 . . . . . . . . 4460 1 629 . 1 1 67 67 LEU HD23 H 1 0.834 . . 1 . . . . . . . . 4460 1 630 . 1 1 67 67 LEU CA C 13 54.47 . . 1 . . . . . . . . 4460 1 631 . 1 1 67 67 LEU CB C 13 40.05 . . 1 . . . . . . . . 4460 1 632 . 1 1 67 67 LEU CG C 13 25.68 . . 1 . . . . . . . . 4460 1 633 . 1 1 67 67 LEU CD1 C 13 27.89 . . 1 . . . . . . . . 4460 1 634 . 1 1 67 67 LEU CD2 C 13 23.49 . . 1 . . . . . . . . 4460 1 635 . 1 1 67 67 LEU N N 15 123.55 . . 1 . . . . . . . . 4460 1 636 . 1 1 68 68 LYS H H 1 7.562 . . 1 . . . . . . . . 4460 1 637 . 1 1 68 68 LYS HA H 1 4.091 . . 1 . . . . . . . . 4460 1 638 . 1 1 68 68 LYS HB2 H 1 1.859 . . 1 . . . . . . . . 4460 1 639 . 1 1 68 68 LYS HB3 H 1 1.859 . . 1 . . . . . . . . 4460 1 640 . 1 1 68 68 LYS HG2 H 1 1.486 . . 1 . . . . . . . . 4460 1 641 . 1 1 68 68 LYS HG3 H 1 1.486 . . 1 . . . . . . . . 4460 1 642 . 1 1 68 68 LYS HD2 H 1 1.723 . . 1 . . . . . . . . 4460 1 643 . 1 1 68 68 LYS HD3 H 1 1.723 . . 1 . . . . . . . . 4460 1 644 . 1 1 68 68 LYS HE2 H 1 3.066 . . 1 . . . . . . . . 4460 1 645 . 1 1 68 68 LYS HE3 H 1 3.066 . . 1 . . . . . . . . 4460 1 646 . 1 1 68 68 LYS CA C 13 59.10 . . 1 . . . . . . . . 4460 1 647 . 1 1 68 68 LYS CB C 13 32.32 . . 1 . . . . . . . . 4460 1 648 . 1 1 68 68 LYS CG C 13 25.14 . . 1 . . . . . . . . 4460 1 649 . 1 1 68 68 LYS CD C 13 29.31 . . 1 . . . . . . . . 4460 1 650 . 1 1 68 68 LYS CE C 13 42.15 . . 1 . . . . . . . . 4460 1 651 . 1 1 68 68 LYS N N 15 118.34 . . 1 . . . . . . . . 4460 1 652 . 1 1 69 69 HIS H H 1 8.520 . . 1 . . . . . . . . 4460 1 653 . 1 1 69 69 HIS HA H 1 4.565 . . 1 . . . . . . . . 4460 1 654 . 1 1 69 69 HIS HB2 H 1 3.224 . . 2 . . . . . . . . 4460 1 655 . 1 1 69 69 HIS HB3 H 1 2.962 . . 2 . . . . . . . . 4460 1 656 . 1 1 69 69 HIS HD2 H 1 6.963 . . 1 . . . . . . . . 4460 1 657 . 1 1 69 69 HIS HE1 H 1 7.684 . . 1 . . . . . . . . 4460 1 658 . 1 1 69 69 HIS CA C 13 56.33 . . 1 . . . . . . . . 4460 1 659 . 1 1 69 69 HIS CB C 13 30.11 . . 1 . . . . . . . . 4460 1 660 . 1 1 69 69 HIS N N 15 114.49 . . 1 . . . . . . . . 4460 1 661 . 1 1 70 70 MET H H 1 7.606 . . 1 . . . . . . . . 4460 1 662 . 1 1 70 70 MET HA H 1 4.506 . . 1 . . . . . . . . 4460 1 663 . 1 1 70 70 MET HB2 H 1 1.924 . . 2 . . . . . . . . 4460 1 664 . 1 1 70 70 MET HB3 H 1 1.658 . . 2 . . . . . . . . 4460 1 665 . 1 1 70 70 MET HG2 H 1 2.269 . . 2 . . . . . . . . 4460 1 666 . 1 1 70 70 MET HG3 H 1 1.618 . . 2 . . . . . . . . 4460 1 667 . 1 1 70 70 MET HE1 H 1 1.908 . . 1 . . . . . . . . 4460 1 668 . 1 1 70 70 MET HE2 H 1 1.908 . . 1 . . . . . . . . 4460 1 669 . 1 1 70 70 MET HE3 H 1 1.908 . . 1 . . . . . . . . 4460 1 670 . 1 1 70 70 MET CA C 13 54.68 . . 1 . . . . . . . . 4460 1 671 . 1 1 70 70 MET CB C 13 35.36 . . 1 . . . . . . . . 4460 1 672 . 1 1 70 70 MET CG C 13 31.76 . . 1 . . . . . . . . 4460 1 673 . 1 1 70 70 MET CE C 13 16.87 . . 1 . . . . . . . . 4460 1 674 . 1 1 70 70 MET N N 15 122.29 . . 1 . . . . . . . . 4460 1 675 . 1 1 71 71 SER H H 1 8.515 . . 1 . . . . . . . . 4460 1 676 . 1 1 71 71 SER HA H 1 4.467 . . 1 . . . . . . . . 4460 1 677 . 1 1 71 71 SER HB2 H 1 4.309 . . 2 . . . . . . . . 4460 1 678 . 1 1 71 71 SER HB3 H 1 4.049 . . 2 . . . . . . . . 4460 1 679 . 1 1 71 71 SER CA C 13 56.89 . . 1 . . . . . . . . 4460 1 680 . 1 1 71 71 SER CB C 13 64.60 . . 1 . . . . . . . . 4460 1 681 . 1 1 71 71 SER N N 15 117.27 . . 1 . . . . . . . . 4460 1 682 . 1 1 72 72 VAL H H 1 8.933 . . 1 . . . . . . . . 4460 1 683 . 1 1 72 72 VAL HA H 1 3.646 . . 1 . . . . . . . . 4460 1 684 . 1 1 72 72 VAL HB H 1 2.183 . . 1 . . . . . . . . 4460 1 685 . 1 1 72 72 VAL HG11 H 1 1.096 . . 1 . . . . . . . . 4460 1 686 . 1 1 72 72 VAL HG12 H 1 1.096 . . 1 . . . . . . . . 4460 1 687 . 1 1 72 72 VAL HG13 H 1 1.096 . . 1 . . . . . . . . 4460 1 688 . 1 1 72 72 VAL HG21 H 1 1.177 . . 1 . . . . . . . . 4460 1 689 . 1 1 72 72 VAL HG22 H 1 1.177 . . 1 . . . . . . . . 4460 1 690 . 1 1 72 72 VAL HG23 H 1 1.177 . . 1 . . . . . . . . 4460 1 691 . 1 1 72 72 VAL CA C 13 67.38 . . 1 . . . . . . . . 4460 1 692 . 1 1 72 72 VAL CB C 13 31.48 . . 1 . . . . . . . . 4460 1 693 . 1 1 72 72 VAL CG1 C 13 21.27 . . 1 . . . . . . . . 4460 1 694 . 1 1 72 72 VAL CG2 C 13 23.20 . . 1 . . . . . . . . 4460 1 695 . 1 1 72 72 VAL N N 15 122.40 . . 1 . . . . . . . . 4460 1 696 . 1 1 73 73 SER H H 1 8.398 . . 1 . . . . . . . . 4460 1 697 . 1 1 73 73 SER HA H 1 4.214 . . 1 . . . . . . . . 4460 1 698 . 1 1 73 73 SER HB2 H 1 3.918 . . 2 . . . . . . . . 4460 1 699 . 1 1 73 73 SER HB3 H 1 3.665 . . 2 . . . . . . . . 4460 1 700 . 1 1 73 73 SER CA C 13 61.58 . . 1 . . . . . . . . 4460 1 701 . 1 1 73 73 SER CB C 13 62.40 . . 1 . . . . . . . . 4460 1 702 . 1 1 73 73 SER N N 15 114.06 . . 1 . . . . . . . . 4460 1 703 . 1 1 74 74 SER H H 1 7.988 . . 1 . . . . . . . . 4460 1 704 . 1 1 74 74 SER HA H 1 4.253 . . 1 . . . . . . . . 4460 1 705 . 1 1 74 74 SER HB2 H 1 3.875 . . 1 . . . . . . . . 4460 1 706 . 1 1 74 74 SER HB3 H 1 3.962 . . 1 . . . . . . . . 4460 1 707 . 1 1 74 74 SER CA C 13 62.13 . . 1 . . . . . . . . 4460 1 708 . 1 1 74 74 SER CB C 13 62.86 . . 1 . . . . . . . . 4460 1 709 . 1 1 74 74 SER N N 15 119.62 . . 1 . . . . . . . . 4460 1 710 . 1 1 75 75 ILE H H 1 8.170 . . 1 . . . . . . . . 4460 1 711 . 1 1 75 75 ILE HA H 1 3.490 . . 1 . . . . . . . . 4460 1 712 . 1 1 75 75 ILE HB H 1 1.880 . . 1 . . . . . . . . 4460 1 713 . 1 1 75 75 ILE HG12 H 1 1.836 . . 2 . . . . . . . . 4460 1 714 . 1 1 75 75 ILE HG13 H 1 0.705 . . 2 . . . . . . . . 4460 1 715 . 1 1 75 75 ILE HG21 H 1 0.706 . . 1 . . . . . . . . 4460 1 716 . 1 1 75 75 ILE HG22 H 1 0.706 . . 1 . . . . . . . . 4460 1 717 . 1 1 75 75 ILE HG23 H 1 0.706 . . 1 . . . . . . . . 4460 1 718 . 1 1 75 75 ILE HD11 H 1 0.706 . . 1 . . . . . . . . 4460 1 719 . 1 1 75 75 ILE HD12 H 1 0.706 . . 1 . . . . . . . . 4460 1 720 . 1 1 75 75 ILE HD13 H 1 0.706 . . 1 . . . . . . . . 4460 1 721 . 1 1 75 75 ILE CA C 13 66.27 . . 1 . . . . . . . . 4460 1 722 . 1 1 75 75 ILE CB C 13 38.12 . . 1 . . . . . . . . 4460 1 723 . 1 1 75 75 ILE CG1 C 13 29.28 . . 1 . . . . . . . . 4460 1 724 . 1 1 75 75 ILE CG2 C 13 18.79 . . 1 . . . . . . . . 4460 1 725 . 1 1 75 75 ILE CD1 C 13 14.65 . . 1 . . . . . . . . 4460 1 726 . 1 1 75 75 ILE N N 15 124.76 . . 1 . . . . . . . . 4460 1 727 . 1 1 76 76 LYS H H 1 8.691 . . 1 . . . . . . . . 4460 1 728 . 1 1 76 76 LYS HA H 1 3.998 . . 1 . . . . . . . . 4460 1 729 . 1 1 76 76 LYS HB2 H 1 2.052 . . 2 . . . . . . . . 4460 1 730 . 1 1 76 76 LYS HB3 H 1 1.923 . . 2 . . . . . . . . 4460 1 731 . 1 1 76 76 LYS HG2 H 1 1.465 . . 2 . . . . . . . . 4460 1 732 . 1 1 76 76 LYS HG3 H 1 1.358 . . 2 . . . . . . . . 4460 1 733 . 1 1 76 76 LYS HD2 H 1 1.620 . . 2 . . . . . . . . 4460 1 734 . 1 1 76 76 LYS HD3 H 1 1.357 . . 2 . . . . . . . . 4460 1 735 . 1 1 76 76 LYS HE2 H 1 2.790 . . 2 . . . . . . . . 4460 1 736 . 1 1 76 76 LYS HE3 H 1 2.747 . . 2 . . . . . . . . 4460 1 737 . 1 1 76 76 LYS CA C 13 59.65 . . 1 . . . . . . . . 4460 1 738 . 1 1 76 76 LYS CB C 13 32.04 . . 1 . . . . . . . . 4460 1 739 . 1 1 76 76 LYS CG C 13 25.13 . . 1 . . . . . . . . 4460 1 740 . 1 1 76 76 LYS CD C 13 28.46 . . 1 . . . . . . . . 4460 1 741 . 1 1 76 76 LYS CE C 13 41.98 . . 1 . . . . . . . . 4460 1 742 . 1 1 76 76 LYS N N 15 120.48 . . 1 . . . . . . . . 4460 1 743 . 1 1 77 77 GLN H H 1 8.212 . . 1 . . . . . . . . 4460 1 744 . 1 1 77 77 GLN HA H 1 4.155 . . 1 . . . . . . . . 4460 1 745 . 1 1 77 77 GLN HB2 H 1 2.139 . . 1 . . . . . . . . 4460 1 746 . 1 1 77 77 GLN HB3 H 1 2.139 . . 1 . . . . . . . . 4460 1 747 . 1 1 77 77 GLN HG2 H 1 2.659 . . 2 . . . . . . . . 4460 1 748 . 1 1 77 77 GLN HG3 H 1 2.443 . . 2 . . . . . . . . 4460 1 749 . 1 1 77 77 GLN HE21 H 1 7.409 . . 2 . . . . . . . . 4460 1 750 . 1 1 77 77 GLN HE22 H 1 6.768 . . 2 . . . . . . . . 4460 1 751 . 1 1 77 77 GLN CA C 13 59.10 . . 1 . . . . . . . . 4460 1 752 . 1 1 77 77 GLN CB C 13 28.45 . . 1 . . . . . . . . 4460 1 753 . 1 1 77 77 GLN CG C 13 34.26 . . 1 . . . . . . . . 4460 1 754 . 1 1 77 77 GLN N N 15 117.05 . . 1 . . . . . . . . 4460 1 755 . 1 1 77 77 GLN NE2 N 15 111.49 . . 1 . . . . . . . . 4460 1 756 . 1 1 78 78 ALA H H 1 7.781 . . 1 . . . . . . . . 4460 1 757 . 1 1 78 78 ALA HA H 1 4.309 . . 1 . . . . . . . . 4460 1 758 . 1 1 78 78 ALA HB1 H 1 1.445 . . 1 . . . . . . . . 4460 1 759 . 1 1 78 78 ALA HB2 H 1 1.445 . . 1 . . . . . . . . 4460 1 760 . 1 1 78 78 ALA HB3 H 1 1.445 . . 1 . . . . . . . . 4460 1 761 . 1 1 78 78 ALA CA C 13 55.51 . . 1 . . . . . . . . 4460 1 762 . 1 1 78 78 ALA CB C 13 17.95 . . 1 . . . . . . . . 4460 1 763 . 1 1 78 78 ALA N N 15 122.40 . . 1 . . . . . . . . 4460 1 764 . 1 1 79 79 VAL H H 1 8.562 . . 1 . . . . . . . . 4460 1 765 . 1 1 79 79 VAL HA H 1 3.295 . . 1 . . . . . . . . 4460 1 766 . 1 1 79 79 VAL HB H 1 1.965 . . 1 . . . . . . . . 4460 1 767 . 1 1 79 79 VAL HG11 H 1 0.273 . . 1 . . . . . . . . 4460 1 768 . 1 1 79 79 VAL HG12 H 1 0.273 . . 1 . . . . . . . . 4460 1 769 . 1 1 79 79 VAL HG13 H 1 0.273 . . 1 . . . . . . . . 4460 1 770 . 1 1 79 79 VAL HG21 H 1 0.706 . . 1 . . . . . . . . 4460 1 771 . 1 1 79 79 VAL HG22 H 1 0.706 . . 1 . . . . . . . . 4460 1 772 . 1 1 79 79 VAL HG23 H 1 0.706 . . 1 . . . . . . . . 4460 1 773 . 1 1 79 79 VAL CA C 13 67.10 . . 1 . . . . . . . . 4460 1 774 . 1 1 79 79 VAL CB C 13 31.49 . . 1 . . . . . . . . 4460 1 775 . 1 1 79 79 VAL CG1 C 13 21.53 . . 1 . . . . . . . . 4460 1 776 . 1 1 79 79 VAL CG2 C 13 23.20 . . 1 . . . . . . . . 4460 1 777 . 1 1 79 79 VAL N N 15 118.12 . . 1 . . . . . . . . 4460 1 778 . 1 1 80 80 ASP H H 1 8.644 . . 1 . . . . . . . . 4460 1 779 . 1 1 80 80 ASP HA H 1 4.350 . . 1 . . . . . . . . 4460 1 780 . 1 1 80 80 ASP HB2 H 1 2.790 . . 2 . . . . . . . . 4460 1 781 . 1 1 80 80 ASP HB3 H 1 2.701 . . 2 . . . . . . . . 4460 1 782 . 1 1 80 80 ASP CA C 13 57.72 . . 1 . . . . . . . . 4460 1 783 . 1 1 80 80 ASP CB C 13 40.05 . . 1 . . . . . . . . 4460 1 784 . 1 1 80 80 ASP N N 15 121.98 . . 1 . . . . . . . . 4460 1 785 . 1 1 81 81 PHE H H 1 8.041 . . 1 . . . . . . . . 4460 1 786 . 1 1 81 81 PHE HA H 1 4.292 . . 1 . . . . . . . . 4460 1 787 . 1 1 81 81 PHE HB2 H 1 3.354 . . 1 . . . . . . . . 4460 1 788 . 1 1 81 81 PHE HB3 H 1 3.179 . . 1 . . . . . . . . 4460 1 789 . 1 1 81 81 PHE HD1 H 1 7.076 . . 1 . . . . . . . . 4460 1 790 . 1 1 81 81 PHE HD2 H 1 7.076 . . 1 . . . . . . . . 4460 1 791 . 1 1 81 81 PHE HE1 H 1 7.271 . . 1 . . . . . . . . 4460 1 792 . 1 1 81 81 PHE HE2 H 1 7.271 . . 1 . . . . . . . . 4460 1 793 . 1 1 81 81 PHE HZ H 1 7.335 . . 1 . . . . . . . . 4460 1 794 . 1 1 81 81 PHE CA C 13 62.14 . . 1 . . . . . . . . 4460 1 795 . 1 1 81 81 PHE CB C 13 39.58 . . 1 . . . . . . . . 4460 1 796 . 1 1 81 81 PHE N N 15 121.12 . . 1 . . . . . . . . 4460 1 797 . 1 1 82 82 LEU H H 1 8.780 . . 1 . . . . . . . . 4460 1 798 . 1 1 82 82 LEU HA H 1 3.881 . . 1 . . . . . . . . 4460 1 799 . 1 1 82 82 LEU HB2 H 1 2.051 . . 1 . . . . . . . . 4460 1 800 . 1 1 82 82 LEU HB3 H 1 1.315 . . 1 . . . . . . . . 4460 1 801 . 1 1 82 82 LEU HG H 1 2.268 . . 1 . . . . . . . . 4460 1 802 . 1 1 82 82 LEU HD11 H 1 0.880 . . 1 . . . . . . . . 4460 1 803 . 1 1 82 82 LEU HD12 H 1 0.880 . . 1 . . . . . . . . 4460 1 804 . 1 1 82 82 LEU HD13 H 1 0.880 . . 1 . . . . . . . . 4460 1 805 . 1 1 82 82 LEU HD21 H 1 0.925 . . 1 . . . . . . . . 4460 1 806 . 1 1 82 82 LEU HD22 H 1 0.925 . . 1 . . . . . . . . 4460 1 807 . 1 1 82 82 LEU HD23 H 1 0.925 . . 1 . . . . . . . . 4460 1 808 . 1 1 82 82 LEU CA C 13 57.99 . . 1 . . . . . . . . 4460 1 809 . 1 1 82 82 LEU CB C 13 43.08 . . 1 . . . . . . . . 4460 1 810 . 1 1 82 82 LEU CG C 13 26.30 . . 1 . . . . . . . . 4460 1 811 . 1 1 82 82 LEU CD1 C 13 26.30 . . 1 . . . . . . . . 4460 1 812 . 1 1 82 82 LEU CD2 C 13 24.27 . . 1 . . . . . . . . 4460 1 813 . 1 1 82 82 LEU N N 15 117.91 . . 1 . . . . . . . . 4460 1 814 . 1 1 83 83 SER H H 1 8.604 . . 1 . . . . . . . . 4460 1 815 . 1 1 83 83 SER HA H 1 4.526 . . 1 . . . . . . . . 4460 1 816 . 1 1 83 83 SER HB2 H 1 4.016 . . 2 . . . . . . . . 4460 1 817 . 1 1 83 83 SER HB3 H 1 3.961 . . 2 . . . . . . . . 4460 1 818 . 1 1 83 83 SER CA C 13 61.03 . . 1 . . . . . . . . 4460 1 819 . 1 1 83 83 SER CB C 13 63.04 . . 1 . . . . . . . . 4460 1 820 . 1 1 83 83 SER N N 15 115.77 . . 1 . . . . . . . . 4460 1 821 . 1 1 84 84 ASN H H 1 8.434 . . 1 . . . . . . . . 4460 1 822 . 1 1 84 84 ASN HA H 1 4.429 . . 1 . . . . . . . . 4460 1 823 . 1 1 84 84 ASN HB2 H 1 2.961 . . 1 . . . . . . . . 4460 1 824 . 1 1 84 84 ASN HB3 H 1 2.789 . . 1 . . . . . . . . 4460 1 825 . 1 1 84 84 ASN HD21 H 1 7.659 . . 2 . . . . . . . . 4460 1 826 . 1 1 84 84 ASN HD22 H 1 6.909 . . 2 . . . . . . . . 4460 1 827 . 1 1 84 84 ASN CA C 13 56.35 . . 1 . . . . . . . . 4460 1 828 . 1 1 84 84 ASN CB C 13 38.66 . . 1 . . . . . . . . 4460 1 829 . 1 1 84 84 ASN N N 15 123.26 . . 1 . . . . . . . . 4460 1 830 . 1 1 84 84 ASN ND2 N 15 113.63 . . 1 . . . . . . . . 4460 1 831 . 1 1 85 85 GLU H H 1 7.952 . . 1 . . . . . . . . 4460 1 832 . 1 1 85 85 GLU HA H 1 4.067 . . 1 . . . . . . . . 4460 1 833 . 1 1 85 85 GLU HB2 H 1 1.443 . . 1 . . . . . . . . 4460 1 834 . 1 1 85 85 GLU HB3 H 1 2.029 . . 1 . . . . . . . . 4460 1 835 . 1 1 85 85 GLU HG2 H 1 1.617 . . 2 . . . . . . . . 4460 1 836 . 1 1 85 85 GLU HG3 H 1 1.543 . . 2 . . . . . . . . 4460 1 837 . 1 1 85 85 GLU CA C 13 56.06 . . 1 . . . . . . . . 4460 1 838 . 1 1 85 85 GLU CB C 13 30.38 . . 1 . . . . . . . . 4460 1 839 . 1 1 85 85 GLU CG C 13 36.03 . . 1 . . . . . . . . 4460 1 840 . 1 1 85 85 GLU N N 15 115.22 . . 1 . . . . . . . . 4460 1 841 . 1 1 86 86 GLY H H 1 7.520 . . 1 . . . . . . . . 4460 1 842 . 1 1 86 86 GLY HA2 H 1 4.091 . . 2 . . . . . . . . 4460 1 843 . 1 1 86 86 GLY HA3 H 1 3.916 . . 2 . . . . . . . . 4460 1 844 . 1 1 86 86 GLY CA C 13 45.85 . . 1 . . . . . . . . 4460 1 845 . 1 1 86 86 GLY N N 15 105.25 . . 1 . . . . . . . . 4460 1 846 . 1 1 87 87 HIS H H 1 8.387 . . 1 . . . . . . . . 4460 1 847 . 1 1 87 87 HIS HA H 1 4.624 . . 1 . . . . . . . . 4460 1 848 . 1 1 87 87 HIS HB2 H 1 2.965 . . 1 . . . . . . . . 4460 1 849 . 1 1 87 87 HIS HB3 H 1 3.266 . . 1 . . . . . . . . 4460 1 850 . 1 1 87 87 HIS HD2 H 1 6.732 . . 1 . . . . . . . . 4460 1 851 . 1 1 87 87 HIS HE1 H 1 7.773 . . 1 . . . . . . . . 4460 1 852 . 1 1 87 87 HIS CA C 13 58.27 . . 1 . . . . . . . . 4460 1 853 . 1 1 87 87 HIS CB C 13 33.42 . . 1 . . . . . . . . 4460 1 854 . 1 1 87 87 HIS N N 15 118.34 . . 1 . . . . . . . . 4460 1 855 . 1 1 88 88 ILE H H 1 7.393 . . 1 . . . . . . . . 4460 1 856 . 1 1 88 88 ILE HA H 1 5.504 . . 1 . . . . . . . . 4460 1 857 . 1 1 88 88 ILE HB H 1 1.966 . . 1 . . . . . . . . 4460 1 858 . 1 1 88 88 ILE HG12 H 1 1.226 . . 2 . . . . . . . . 4460 1 859 . 1 1 88 88 ILE HG13 H 1 0.576 . . 2 . . . . . . . . 4460 1 860 . 1 1 88 88 ILE HG21 H 1 0.796 . . 1 . . . . . . . . 4460 1 861 . 1 1 88 88 ILE HG22 H 1 0.796 . . 1 . . . . . . . . 4460 1 862 . 1 1 88 88 ILE HG23 H 1 0.796 . . 1 . . . . . . . . 4460 1 863 . 1 1 88 88 ILE HD11 H 1 0.532 . . 1 . . . . . . . . 4460 1 864 . 1 1 88 88 ILE HD12 H 1 0.532 . . 1 . . . . . . . . 4460 1 865 . 1 1 88 88 ILE HD13 H 1 0.532 . . 1 . . . . . . . . 4460 1 866 . 1 1 88 88 ILE CA C 13 58.55 . . 1 . . . . . . . . 4460 1 867 . 1 1 88 88 ILE CB C 13 42.50 . . 1 . . . . . . . . 4460 1 868 . 1 1 88 88 ILE CG1 C 13 23.76 . . 1 . . . . . . . . 4460 1 869 . 1 1 88 88 ILE CG2 C 13 18.50 . . 1 . . . . . . . . 4460 1 870 . 1 1 88 88 ILE CD1 C 13 14.37 . . 1 . . . . . . . . 4460 1 871 . 1 1 88 88 ILE N N 15 109.14 . . 1 . . . . . . . . 4460 1 872 . 1 1 89 89 TYR H H 1 9.126 . . 1 . . . . . . . . 4460 1 873 . 1 1 89 89 TYR HA H 1 5.151 . . 1 . . . . . . . . 4460 1 874 . 1 1 89 89 TYR HB2 H 1 3.180 . . 1 . . . . . . . . 4460 1 875 . 1 1 89 89 TYR HB3 H 1 2.964 . . 1 . . . . . . . . 4460 1 876 . 1 1 89 89 TYR HD1 H 1 6.973 . . 1 . . . . . . . . 4460 1 877 . 1 1 89 89 TYR HD2 H 1 6.973 . . 1 . . . . . . . . 4460 1 878 . 1 1 89 89 TYR HE1 H 1 6.593 . . 1 . . . . . . . . 4460 1 879 . 1 1 89 89 TYR HE2 H 1 6.593 . . 1 . . . . . . . . 4460 1 880 . 1 1 89 89 TYR CA C 13 55.79 . . 1 . . . . . . . . 4460 1 881 . 1 1 89 89 TYR CB C 13 40.60 . . 1 . . . . . . . . 4460 1 882 . 1 1 89 89 TYR N N 15 117.27 . . 1 . . . . . . . . 4460 1 883 . 1 1 90 90 SER H H 1 8.648 . . 1 . . . . . . . . 4460 1 884 . 1 1 90 90 SER HA H 1 5.425 . . 1 . . . . . . . . 4460 1 885 . 1 1 90 90 SER HB2 H 1 4.178 . . 1 . . . . . . . . 4460 1 886 . 1 1 90 90 SER HB3 H 1 3.786 . . 1 . . . . . . . . 4460 1 887 . 1 1 90 90 SER CA C 13 56.62 . . 1 . . . . . . . . 4460 1 888 . 1 1 90 90 SER CB C 13 64.65 . . 1 . . . . . . . . 4460 1 889 . 1 1 90 90 SER N N 15 116.73 . . 1 . . . . . . . . 4460 1 890 . 1 1 91 91 THR H H 1 7.871 . . 1 . . . . . . . . 4460 1 891 . 1 1 91 91 THR HA H 1 4.448 . . 1 . . . . . . . . 4460 1 892 . 1 1 91 91 THR HB H 1 4.352 . . 1 . . . . . . . . 4460 1 893 . 1 1 91 91 THR HG21 H 1 0.879 . . 1 . . . . . . . . 4460 1 894 . 1 1 91 91 THR HG22 H 1 0.879 . . 1 . . . . . . . . 4460 1 895 . 1 1 91 91 THR HG23 H 1 0.879 . . 1 . . . . . . . . 4460 1 896 . 1 1 91 91 THR CA C 13 59.65 . . 1 . . . . . . . . 4460 1 897 . 1 1 91 91 THR CB C 13 67.94 . . 1 . . . . . . . . 4460 1 898 . 1 1 91 91 THR CG2 C 13 22.37 . . 1 . . . . . . . . 4460 1 899 . 1 1 91 91 THR N N 15 111.28 . . 1 . . . . . . . . 4460 1 900 . 1 1 92 92 VAL H H 1 8.865 . . 1 . . . . . . . . 4460 1 901 . 1 1 92 92 VAL HA H 1 3.881 . . 1 . . . . . . . . 4460 1 902 . 1 1 92 92 VAL HB H 1 2.096 . . 1 . . . . . . . . 4460 1 903 . 1 1 92 92 VAL HG11 H 1 0.837 . . 1 . . . . . . . . 4460 1 904 . 1 1 92 92 VAL HG12 H 1 0.837 . . 1 . . . . . . . . 4460 1 905 . 1 1 92 92 VAL HG13 H 1 0.837 . . 1 . . . . . . . . 4460 1 906 . 1 1 92 92 VAL HG21 H 1 0.446 . . 1 . . . . . . . . 4460 1 907 . 1 1 92 92 VAL HG22 H 1 0.446 . . 1 . . . . . . . . 4460 1 908 . 1 1 92 92 VAL HG23 H 1 0.446 . . 1 . . . . . . . . 4460 1 909 . 1 1 92 92 VAL CA C 13 62.97 . . 1 . . . . . . . . 4460 1 910 . 1 1 92 92 VAL CB C 13 31.50 . . 1 . . . . . . . . 4460 1 911 . 1 1 92 92 VAL CG1 C 13 21.55 . . 1 . . . . . . . . 4460 1 912 . 1 1 92 92 VAL CG2 C 13 18.25 . . 1 . . . . . . . . 4460 1 913 . 1 1 92 92 VAL N N 15 117.48 . . 1 . . . . . . . . 4460 1 914 . 1 1 93 93 ASP H H 1 7.867 . . 1 . . . . . . . . 4460 1 915 . 1 1 93 93 ASP HA H 1 4.409 . . 1 . . . . . . . . 4460 1 916 . 1 1 93 93 ASP HB2 H 1 3.048 . . 1 . . . . . . . . 4460 1 917 . 1 1 93 93 ASP HB3 H 1 3.048 . . 1 . . . . . . . . 4460 1 918 . 1 1 93 93 ASP CA C 13 53.02 . . 1 . . . . . . . . 4460 1 919 . 1 1 93 93 ASP CB C 13 40.87 . . 1 . . . . . . . . 4460 1 920 . 1 1 93 93 ASP N N 15 117.05 . . 1 . . . . . . . . 4460 1 921 . 1 1 94 94 ASP H H 1 8.084 . . 1 . . . . . . . . 4460 1 922 . 1 1 94 94 ASP HA H 1 4.482 . . 1 . . . . . . . . 4460 1 923 . 1 1 94 94 ASP HB2 H 1 2.574 . . 1 . . . . . . . . 4460 1 924 . 1 1 94 94 ASP HB3 H 1 2.834 . . 1 . . . . . . . . 4460 1 925 . 1 1 94 94 ASP CA C 13 55.51 . . 1 . . . . . . . . 4460 1 926 . 1 1 94 94 ASP CB C 13 40.88 . . 1 . . . . . . . . 4460 1 927 . 1 1 94 94 ASP N N 15 114.36 . . 1 . . . . . . . . 4460 1 928 . 1 1 95 95 ASP H H 1 8.430 . . 1 . . . . . . . . 4460 1 929 . 1 1 95 95 ASP HA H 1 4.800 . . 1 . . . . . . . . 4460 1 930 . 1 1 95 95 ASP HB2 H 1 2.529 . . 1 . . . . . . . . 4460 1 931 . 1 1 95 95 ASP HB3 H 1 2.877 . . 1 . . . . . . . . 4460 1 932 . 1 1 95 95 ASP CA C 13 53.85 . . 1 . . . . . . . . 4460 1 933 . 1 1 95 95 ASP CB C 13 43.03 . . 1 . . . . . . . . 4460 1 934 . 1 1 95 95 ASP N N 15 117.06 . . 1 . . . . . . . . 4460 1 935 . 1 1 96 96 HIS H H 1 6.941 . . 1 . . . . . . . . 4460 1 936 . 1 1 96 96 HIS HA H 1 4.802 . . 1 . . . . . . . . 4460 1 937 . 1 1 96 96 HIS HB2 H 1 3.069 . . 2 . . . . . . . . 4460 1 938 . 1 1 96 96 HIS HB3 H 1 2.701 . . 2 . . . . . . . . 4460 1 939 . 1 1 96 96 HIS HD2 H 1 6.619 . . 1 . . . . . . . . 4460 1 940 . 1 1 96 96 HIS HE1 H 1 8.024 . . 1 . . . . . . . . 4460 1 941 . 1 1 96 96 HIS CA C 13 55.49 . . 1 . . . . . . . . 4460 1 942 . 1 1 96 96 HIS CB C 13 40.86 . . 1 . . . . . . . . 4460 1 943 . 1 1 96 96 HIS N N 15 116.20 . . 1 . . . . . . . . 4460 1 944 . 1 1 97 97 PHE H H 1 8.387 . . 1 . . . . . . . . 4460 1 945 . 1 1 97 97 PHE HA H 1 5.392 . . 1 . . . . . . . . 4460 1 946 . 1 1 97 97 PHE HB2 H 1 2.529 . . 1 . . . . . . . . 4460 1 947 . 1 1 97 97 PHE HB3 H 1 2.877 . . 1 . . . . . . . . 4460 1 948 . 1 1 97 97 PHE HD1 H 1 6.811 . . 1 . . . . . . . . 4460 1 949 . 1 1 97 97 PHE HD2 H 1 6.811 . . 1 . . . . . . . . 4460 1 950 . 1 1 97 97 PHE HE1 H 1 7.059 . . 1 . . . . . . . . 4460 1 951 . 1 1 97 97 PHE HE2 H 1 7.059 . . 1 . . . . . . . . 4460 1 952 . 1 1 97 97 PHE HZ H 1 7.298 . . 1 . . . . . . . . 4460 1 953 . 1 1 97 97 PHE CA C 13 56.62 . . 1 . . . . . . . . 4460 1 954 . 1 1 97 97 PHE CB C 13 44.74 . . 1 . . . . . . . . 4460 1 955 . 1 1 97 97 PHE N N 15 117.27 . . 1 . . . . . . . . 4460 1 956 . 1 1 98 98 LYS H H 1 8.518 . . 1 . . . . . . . . 4460 1 957 . 1 1 98 98 LYS HA H 1 4.569 . . 1 . . . . . . . . 4460 1 958 . 1 1 98 98 LYS HB2 H 1 0.837 . . 1 . . . . . . . . 4460 1 959 . 1 1 98 98 LYS HB3 H 1 1.444 . . 1 . . . . . . . . 4460 1 960 . 1 1 98 98 LYS HG2 H 1 1.359 . . 1 . . . . . . . . 4460 1 961 . 1 1 98 98 LYS HG3 H 1 1.359 . . 1 . . . . . . . . 4460 1 962 . 1 1 98 98 LYS HD2 H 1 1.706 . . 2 . . . . . . . . 4460 1 963 . 1 1 98 98 LYS HD3 H 1 1.594 . . 2 . . . . . . . . 4460 1 964 . 1 1 98 98 LYS HE2 H 1 3.050 . . 1 . . . . . . . . 4460 1 965 . 1 1 98 98 LYS HE3 H 1 3.050 . . 1 . . . . . . . . 4460 1 966 . 1 1 98 98 LYS CA C 13 54.13 . . 1 . . . . . . . . 4460 1 967 . 1 1 98 98 LYS CB C 13 37.29 . . 1 . . . . . . . . 4460 1 968 . 1 1 98 98 LYS CG C 13 25.14 . . 1 . . . . . . . . 4460 1 969 . 1 1 98 98 LYS CD C 13 29.00 . . 1 . . . . . . . . 4460 1 970 . 1 1 98 98 LYS CE C 13 41.98 . . 1 . . . . . . . . 4460 1 971 . 1 1 98 98 LYS N N 15 120.26 . . 1 . . . . . . . . 4460 1 972 . 1 1 99 99 SER H H 1 8.647 . . 1 . . . . . . . . 4460 1 973 . 1 1 99 99 SER HA H 1 4.917 . . 1 . . . . . . . . 4460 1 974 . 1 1 99 99 SER HB2 H 1 4.092 . . 1 . . . . . . . . 4460 1 975 . 1 1 99 99 SER HB3 H 1 3.789 . . 1 . . . . . . . . 4460 1 976 . 1 1 99 99 SER CA C 13 57.99 . . 1 . . . . . . . . 4460 1 977 . 1 1 99 99 SER CB C 13 64.34 . . 1 . . . . . . . . 4460 1 978 . 1 1 99 99 SER N N 15 114.70 . . 1 . . . . . . . . 4460 1 979 . 1 1 100 100 THR H H 1 8.206 . . 1 . . . . . . . . 4460 1 980 . 1 1 100 100 THR HA H 1 4.233 . . 1 . . . . . . . . 4460 1 981 . 1 1 100 100 THR HB H 1 4.311 . . 1 . . . . . . . . 4460 1 982 . 1 1 100 100 THR HG21 H 1 1.198 . . 1 . . . . . . . . 4460 1 983 . 1 1 100 100 THR HG22 H 1 1.198 . . 1 . . . . . . . . 4460 1 984 . 1 1 100 100 THR HG23 H 1 1.198 . . 1 . . . . . . . . 4460 1 985 . 1 1 100 100 THR CA C 13 63.52 . . 1 . . . . . . . . 4460 1 986 . 1 1 100 100 THR CB C 13 69.32 . . 1 . . . . . . . . 4460 1 987 . 1 1 100 100 THR CG2 C 13 22.92 . . 1 . . . . . . . . 4460 1 988 . 1 1 100 100 THR N N 15 118.84 . . 1 . . . . . . . . 4460 1 989 . 1 1 101 101 ASP H H 1 8.518 . . 1 . . . . . . . . 4460 1 990 . 1 1 101 101 ASP HA H 1 4.700 . . 1 . . . . . . . . 4460 1 991 . 1 1 101 101 ASP HB2 H 1 2.775 . . 2 . . . . . . . . 4460 1 992 . 1 1 101 101 ASP HB3 H 1 2.659 . . 2 . . . . . . . . 4460 1 993 . 1 1 101 101 ASP CA C 13 54.24 . . 1 . . . . . . . . 4460 1 994 . 1 1 101 101 ASP CB C 13 41.16 . . 1 . . . . . . . . 4460 1 995 . 1 1 101 101 ASP N N 15 122.19 . . 1 . . . . . . . . 4460 1 996 . 1 1 102 102 ALA H H 1 8.170 . . 1 . . . . . . . . 4460 1 997 . 1 1 102 102 ALA HA H 1 4.388 . . 1 . . . . . . . . 4460 1 998 . 1 1 102 102 ALA HB1 H 1 1.453 . . 1 . . . . . . . . 4460 1 999 . 1 1 102 102 ALA HB2 H 1 1.453 . . 1 . . . . . . . . 4460 1 1000 . 1 1 102 102 ALA HB3 H 1 1.453 . . 1 . . . . . . . . 4460 1 1001 . 1 1 102 102 ALA CA C 13 52.47 . . 1 . . . . . . . . 4460 1 1002 . 1 1 102 102 ALA CB C 13 20.05 . . 1 . . . . . . . . 4460 1 1003 . 1 1 102 102 ALA N N 15 125.19 . . 1 . . . . . . . . 4460 1 1004 . 1 1 103 103 GLU H H 1 8.009 . . 1 . . . . . . . . 4460 1 1005 . 1 1 103 103 GLU HA H 1 4.113 . . 1 . . . . . . . . 4460 1 1006 . 1 1 103 103 GLU HB2 H 1 2.048 . . 2 . . . . . . . . 4460 1 1007 . 1 1 103 103 GLU HB3 H 1 1.922 . . 2 . . . . . . . . 4460 1 1008 . 1 1 103 103 GLU HG2 H 1 2.224 . . 1 . . . . . . . . 4460 1 1009 . 1 1 103 103 GLU HG3 H 1 2.224 . . 1 . . . . . . . . 4460 1 1010 . 1 1 103 103 GLU CA C 13 58.16 . . 1 . . . . . . . . 4460 1 1011 . 1 1 103 103 GLU CB C 13 31.21 . . 1 . . . . . . . . 4460 1 1012 . 1 1 103 103 GLU N N 15 125.40 . . 1 . . . . . . . . 4460 1 stop_ save_