data_15800 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15800 _Entry.Title ; Backbone and side-chain 1H, 13C, and 15N Chemical Shift Assignments for Human Galectin-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-09 _Entry.Accession_date 2008-06-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Irina Nesmelova . V. . 15800 2 Mabel Pang . . . 15800 3 Linda Baum . G. . 15800 4 Kevin Mayo . H. . 15800 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Minnesota, Dept. of Biochemistry, Biophysics & Mol. Biology' . 15800 2 . 'University of California, Dept. of Pathology and Laboratory Medicine' . 15800 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15800 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 371 15800 '15N chemical shifts' 141 15800 '1H chemical shifts' 822 15800 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 3 . . 2009-08-18 2008-06-09 update BMRB 'added PubMed ID' 15800 2 . . 2008-12-03 2008-06-09 update BMRB 'complete entry citation' 15800 1 . . 2008-10-03 2008-06-09 original author 'original release' 15800 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15800 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636905 _Citation.Full_citation . _Citation.Title '1H, 13C, and 15N backbone and side-chain chemical shift assignments for the 29 kDa human galectin-1 protein dimer' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _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 203 _Citation.Page_last 205 _Citation.Year 2008 _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 Irina Nesmelova . V. . 15800 1 2 Mabel Pang . . . 15800 1 3 Linda Baum . G. . 15800 1 4 Kevin Mayo . H. . 15800 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15800 _Assembly.ID 1 _Assembly.Name galectin-1 _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14716 _Assembly.Enzyme_commission_number . _Assembly.Details dimer _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 subunit1 1 $galectin-1 A . yes native no no . . . 15800 1 2 subunit2 1 $galectin-1 B . yes native no no . . . 15800 1 3 ligand1 2 $LAT C . no na no no . . . 15800 1 4 ligand2 2 $LAT D . no na no no . . . 15800 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_galectin-1 _Entity.Sf_category entity _Entity.Sf_framecode galectin-1 _Entity.Entry_ID 15800 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name galectin-1 _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 ; ACGLVASNLNLKPGECLRVR GEVAPDAKSFVLNLGKDSNN LCLHFNPRFNAHGDANTIVC NSKDGGAWGTEQREAVFPFQ PGSVAEVCITFDQANLTVKL PDGYEFKFPNRLNLEAINYM AADGDFKIKCVAFD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17184 . gal1 . . . . . 100.00 135 100.00 100.00 1.69e-92 . . . . 15800 1 2 no PDB 1GZW . "X-Ray Crystal Structure Of Human Galectin-1" . . . . . 100.00 134 100.00 100.00 2.01e-92 . . . . 15800 1 3 no PDB 1W6M . "X-Ray Crystal Structure Of C2s Human Galectin-1 Complexed With Galactose" . . . . . 100.00 134 98.51 98.51 2.38e-90 . . . . 15800 1 4 no PDB 1W6N . "X-Ray Crystal Structure Of C2s Human Galectin-1" . . . . . 100.00 134 98.51 98.51 2.38e-90 . . . . 15800 1 5 no PDB 1W6O . "X-Ray Crystal Structure Of C2s Human Galectin-1 Complexed With Lactose" . . . . . 100.00 134 98.51 98.51 2.38e-90 . . . . 15800 1 6 no PDB 1W6P . "X-Ray Crystal Structure Of C2s Human Galectin-1 Complexed With N-Acetyl-Lactosamine" . . . . . 100.00 134 98.51 98.51 2.38e-90 . . . . 15800 1 7 no PDB 1W6Q . "X-Ray Crystal Structure Of R111h Human Galectin-1" . . . . . 100.00 134 99.25 99.25 1.55e-91 . . . . 15800 1 8 no PDB 2KM2 . "Galectin-1 Dimer" . . . . . 100.00 134 100.00 100.00 2.01e-92 . . . . 15800 1 9 no PDB 3OY8 . "Crystal Structure Of Human Galectin-1 In Complex With Lactobionic Acid" . . . . . 100.00 134 97.76 97.76 6.23e-89 . . . . 15800 1 10 no PDB 3OYW . "Crystal Structure Of Human Galectin-1 In Complex With Thiodigalactoside" . . . . . 100.00 134 97.76 97.76 6.23e-89 . . . . 15800 1 11 no PDB 3T2T . "Crystal Structure Of Human Galectin-1 In Complex With Methyl 2-o- Acetyl-3-o-toluoyl-beta-d-talopyranoside" . . . . . 100.00 135 97.76 97.76 4.64e-89 . . . . 15800 1 12 no PDB 3W58 . "Crystal Structure Of Galectin-1 In The Lactose-unbound State(p21)" . . . . . 100.00 134 100.00 100.00 2.01e-92 . . . . 15800 1 13 no PDB 3W59 . "Crystal Structure Of Galectin-1 In The Lactose-unbound State(p212121)" . . . . . 100.00 134 100.00 100.00 2.01e-92 . . . . 15800 1 14 no DBJ BAC77389 . "putative MAPK activating protein [Homo sapiens]" . . . . . 100.00 135 100.00 100.00 1.69e-92 . . . . 15800 1 15 no DBJ BAG35095 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 135 100.00 100.00 1.69e-92 . . . . 15800 1 16 no DBJ BAG72608 . "lectin, galactoside-binding, soluble, 1 [synthetic construct]" . . . . . 100.00 135 100.00 100.00 1.69e-92 . . . . 15800 1 17 no EMBL CAA32938 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 135 100.00 100.00 1.69e-92 . . . . 15800 1 18 no EMBL CAA33328 . "14 kDa beta-galactoside-binding lectin [Homo sapiens]" . . . . . 100.00 135 100.00 100.00 1.69e-92 . . . . 15800 1 19 no EMBL CAG30397 . "LGALS1 [Homo sapiens]" . . . . . 100.00 135 100.00 100.00 1.69e-92 . . . . 15800 1 20 no EMBL CAH92239 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 135 97.01 97.76 3.06e-90 . . . . 15800 1 21 no EMBL CAK54541 . "LGALS1 [synthetic construct]" . . . . . 100.00 135 100.00 100.00 1.69e-92 . . . . 15800 1 22 no GB AAA36170 . "lectin precursor [Homo sapiens]" . . . . . 100.00 135 100.00 100.00 1.69e-92 . . . . 15800 1 23 no GB AAB00777 . "14 kDa beta-galactoside-binding lectin [Homo sapiens]" . . . . . 100.00 135 100.00 100.00 1.69e-92 . . . . 15800 1 24 no GB AAH01693 . "Lectin, galactoside-binding, soluble, 1 [Homo sapiens]" . . . . . 100.00 135 100.00 100.00 1.69e-92 . . . . 15800 1 25 no GB AAH20675 . "Lectin, galactoside-binding, soluble, 1 [Homo sapiens]" . . . . . 100.00 135 100.00 100.00 1.69e-92 . . . . 15800 1 26 no GB AAP35421 . "lectin, galactoside-binding, soluble, 1 (galectin 1) [Homo sapiens]" . . . . . 100.00 135 100.00 100.00 1.69e-92 . . . . 15800 1 27 no PRF 1409286A . "beta galactoside binding lectin" . . . . . 100.00 134 100.00 100.00 2.01e-92 . . . . 15800 1 28 no PRF 1713410A . "beta galactoside soluble lectin" . . . . . 100.00 134 100.00 100.00 2.01e-92 . . . . 15800 1 29 no REF NP_001126310 . "galectin-1 [Pongo abelii]" . . . . . 100.00 135 97.01 97.76 3.06e-90 . . . . 15800 1 30 no REF NP_001135409 . "galectin-1 [Papio anubis]" . . . . . 100.00 135 97.76 99.25 3.64e-91 . . . . 15800 1 31 no REF NP_001162098 . "galectin-1 [Macaca mulatta]" . . . . . 100.00 135 97.76 99.25 3.64e-91 . . . . 15800 1 32 no REF NP_002296 . "galectin-1 [Homo sapiens]" . . . . . 100.00 135 100.00 100.00 1.69e-92 . . . . 15800 1 33 no REF XP_001162104 . "PREDICTED: galectin-1 [Pan troglodytes]" . . . . . 100.00 135 100.00 100.00 1.69e-92 . . . . 15800 1 34 no SP P09382 . "RecName: Full=Galectin-1; Short=Gal-1; AltName: Full=14 kDa laminin-binding protein; Short=HLBP14; AltName: Full=14 kDa lectin;" . . . . . 100.00 135 100.00 100.00 1.69e-92 . . . . 15800 1 35 no SP Q5R7M1 . "RecName: Full=Galectin-1; Short=Gal-1; AltName: Full=14 kDa lectin; AltName: Full=Beta-galactoside-binding lectin L-14-I; AltNa" . . . . . 100.00 135 97.01 97.76 3.06e-90 . . . . 15800 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 15800 1 2 . CYS . 15800 1 3 . GLY . 15800 1 4 . LEU . 15800 1 5 . VAL . 15800 1 6 . ALA . 15800 1 7 . SER . 15800 1 8 . ASN . 15800 1 9 . LEU . 15800 1 10 . ASN . 15800 1 11 . LEU . 15800 1 12 . LYS . 15800 1 13 . PRO . 15800 1 14 . GLY . 15800 1 15 . GLU . 15800 1 16 . CYS . 15800 1 17 . LEU . 15800 1 18 . ARG . 15800 1 19 . VAL . 15800 1 20 . ARG . 15800 1 21 . GLY . 15800 1 22 . GLU . 15800 1 23 . VAL . 15800 1 24 . ALA . 15800 1 25 . PRO . 15800 1 26 . ASP . 15800 1 27 . ALA . 15800 1 28 . LYS . 15800 1 29 . SER . 15800 1 30 . PHE . 15800 1 31 . VAL . 15800 1 32 . LEU . 15800 1 33 . ASN . 15800 1 34 . LEU . 15800 1 35 . GLY . 15800 1 36 . LYS . 15800 1 37 . ASP . 15800 1 38 . SER . 15800 1 39 . ASN . 15800 1 40 . ASN . 15800 1 41 . LEU . 15800 1 42 . CYS . 15800 1 43 . LEU . 15800 1 44 . HIS . 15800 1 45 . PHE . 15800 1 46 . ASN . 15800 1 47 . PRO . 15800 1 48 . ARG . 15800 1 49 . PHE . 15800 1 50 . ASN . 15800 1 51 . ALA . 15800 1 52 . HIS . 15800 1 53 . GLY . 15800 1 54 . ASP . 15800 1 55 . ALA . 15800 1 56 . ASN . 15800 1 57 . THR . 15800 1 58 . ILE . 15800 1 59 . VAL . 15800 1 60 . CYS . 15800 1 61 . ASN . 15800 1 62 . SER . 15800 1 63 . LYS . 15800 1 64 . ASP . 15800 1 65 . GLY . 15800 1 66 . GLY . 15800 1 67 . ALA . 15800 1 68 . TRP . 15800 1 69 . GLY . 15800 1 70 . THR . 15800 1 71 . GLU . 15800 1 72 . GLN . 15800 1 73 . ARG . 15800 1 74 . GLU . 15800 1 75 . ALA . 15800 1 76 . VAL . 15800 1 77 . PHE . 15800 1 78 . PRO . 15800 1 79 . PHE . 15800 1 80 . GLN . 15800 1 81 . PRO . 15800 1 82 . GLY . 15800 1 83 . SER . 15800 1 84 . VAL . 15800 1 85 . ALA . 15800 1 86 . GLU . 15800 1 87 . VAL . 15800 1 88 . CYS . 15800 1 89 . ILE . 15800 1 90 . THR . 15800 1 91 . PHE . 15800 1 92 . ASP . 15800 1 93 . GLN . 15800 1 94 . ALA . 15800 1 95 . ASN . 15800 1 96 . LEU . 15800 1 97 . THR . 15800 1 98 . VAL . 15800 1 99 . LYS . 15800 1 100 . LEU . 15800 1 101 . PRO . 15800 1 102 . ASP . 15800 1 103 . GLY . 15800 1 104 . TYR . 15800 1 105 . GLU . 15800 1 106 . PHE . 15800 1 107 . LYS . 15800 1 108 . PHE . 15800 1 109 . PRO . 15800 1 110 . ASN . 15800 1 111 . ARG . 15800 1 112 . LEU . 15800 1 113 . ASN . 15800 1 114 . LEU . 15800 1 115 . GLU . 15800 1 116 . ALA . 15800 1 117 . ILE . 15800 1 118 . ASN . 15800 1 119 . TYR . 15800 1 120 . MET . 15800 1 121 . ALA . 15800 1 122 . ALA . 15800 1 123 . ASP . 15800 1 124 . GLY . 15800 1 125 . ASP . 15800 1 126 . PHE . 15800 1 127 . LYS . 15800 1 128 . ILE . 15800 1 129 . LYS . 15800 1 130 . CYS . 15800 1 131 . VAL . 15800 1 132 . ALA . 15800 1 133 . PHE . 15800 1 134 . ASP . 15800 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 15800 1 . CYS 2 2 15800 1 . GLY 3 3 15800 1 . LEU 4 4 15800 1 . VAL 5 5 15800 1 . ALA 6 6 15800 1 . SER 7 7 15800 1 . ASN 8 8 15800 1 . LEU 9 9 15800 1 . ASN 10 10 15800 1 . LEU 11 11 15800 1 . LYS 12 12 15800 1 . PRO 13 13 15800 1 . GLY 14 14 15800 1 . GLU 15 15 15800 1 . CYS 16 16 15800 1 . LEU 17 17 15800 1 . ARG 18 18 15800 1 . VAL 19 19 15800 1 . ARG 20 20 15800 1 . GLY 21 21 15800 1 . GLU 22 22 15800 1 . VAL 23 23 15800 1 . ALA 24 24 15800 1 . PRO 25 25 15800 1 . ASP 26 26 15800 1 . ALA 27 27 15800 1 . LYS 28 28 15800 1 . SER 29 29 15800 1 . PHE 30 30 15800 1 . VAL 31 31 15800 1 . LEU 32 32 15800 1 . ASN 33 33 15800 1 . LEU 34 34 15800 1 . GLY 35 35 15800 1 . LYS 36 36 15800 1 . ASP 37 37 15800 1 . SER 38 38 15800 1 . ASN 39 39 15800 1 . ASN 40 40 15800 1 . LEU 41 41 15800 1 . CYS 42 42 15800 1 . LEU 43 43 15800 1 . HIS 44 44 15800 1 . PHE 45 45 15800 1 . ASN 46 46 15800 1 . PRO 47 47 15800 1 . ARG 48 48 15800 1 . PHE 49 49 15800 1 . ASN 50 50 15800 1 . ALA 51 51 15800 1 . HIS 52 52 15800 1 . GLY 53 53 15800 1 . ASP 54 54 15800 1 . ALA 55 55 15800 1 . ASN 56 56 15800 1 . THR 57 57 15800 1 . ILE 58 58 15800 1 . VAL 59 59 15800 1 . CYS 60 60 15800 1 . ASN 61 61 15800 1 . SER 62 62 15800 1 . LYS 63 63 15800 1 . ASP 64 64 15800 1 . GLY 65 65 15800 1 . GLY 66 66 15800 1 . ALA 67 67 15800 1 . TRP 68 68 15800 1 . GLY 69 69 15800 1 . THR 70 70 15800 1 . GLU 71 71 15800 1 . GLN 72 72 15800 1 . ARG 73 73 15800 1 . GLU 74 74 15800 1 . ALA 75 75 15800 1 . VAL 76 76 15800 1 . PHE 77 77 15800 1 . PRO 78 78 15800 1 . PHE 79 79 15800 1 . GLN 80 80 15800 1 . PRO 81 81 15800 1 . GLY 82 82 15800 1 . SER 83 83 15800 1 . VAL 84 84 15800 1 . ALA 85 85 15800 1 . GLU 86 86 15800 1 . VAL 87 87 15800 1 . CYS 88 88 15800 1 . ILE 89 89 15800 1 . THR 90 90 15800 1 . PHE 91 91 15800 1 . ASP 92 92 15800 1 . GLN 93 93 15800 1 . ALA 94 94 15800 1 . ASN 95 95 15800 1 . LEU 96 96 15800 1 . THR 97 97 15800 1 . VAL 98 98 15800 1 . LYS 99 99 15800 1 . LEU 100 100 15800 1 . PRO 101 101 15800 1 . ASP 102 102 15800 1 . GLY 103 103 15800 1 . TYR 104 104 15800 1 . GLU 105 105 15800 1 . PHE 106 106 15800 1 . LYS 107 107 15800 1 . PHE 108 108 15800 1 . PRO 109 109 15800 1 . ASN 110 110 15800 1 . ARG 111 111 15800 1 . LEU 112 112 15800 1 . ASN 113 113 15800 1 . LEU 114 114 15800 1 . GLU 115 115 15800 1 . ALA 116 116 15800 1 . ILE 117 117 15800 1 . ASN 118 118 15800 1 . TYR 119 119 15800 1 . MET 120 120 15800 1 . ALA 121 121 15800 1 . ALA 122 122 15800 1 . ASP 123 123 15800 1 . GLY 124 124 15800 1 . ASP 125 125 15800 1 . PHE 126 126 15800 1 . LYS 127 127 15800 1 . ILE 128 128 15800 1 . LYS 129 129 15800 1 . CYS 130 130 15800 1 . VAL 131 131 15800 1 . ALA 132 132 15800 1 . PHE 133 133 15800 1 . ASP 134 134 15800 1 stop_ save_ save_LAT _Entity.Sf_category entity _Entity.Sf_framecode LAT _Entity.Entry_ID 15800 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name LAT _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID LAT _Entity.Nonpolymer_comp_label $chem_comp_LAT _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . LAT . 15800 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15800 _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 $galectin-1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15800 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 15800 _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 $galectin-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEMEX . . . . . . 15800 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_LAT _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_LAT _Chem_comp.Entry_ID 15800 _Chem_comp.ID LAT _Chem_comp.Provenance . _Chem_comp.Name BETA-LACTOSE _Chem_comp.Type SACCHARIDE _Chem_comp.BMRB_code . _Chem_comp.PDB_code LAT _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code LAT _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C12 H22 O11' _Chem_comp.Formula_weight 342.296 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1DLL _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 21 12:40:01 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 15800 LAT C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15800 LAT GUBGYTABKSRVRQ-DCSYEGIMSA-N InChIKey InChI 1.03 15800 LAT InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1 InChI InChI 1.03 15800 LAT O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO SMILES ACDLabs 10.04 15800 LAT OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O SMILES_CANONICAL CACTVS 3.341 15800 LAT OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O SMILES CACTVS 3.341 15800 LAT stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxane-3,4,5-triol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15800 LAT 4-O-beta-D-galactopyranosyl-beta-D-glucopyranose 'SYSTEMATIC NAME' ACDLabs 10.04 15800 LAT stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . S 0 . . . . no no . . . . 24.303 . 15.400 . 77.362 . -0.482 0.116 -1.129 1 . 15800 LAT C2 . C2 . . C . . R 0 . . . . no no . . . . 24.409 . 14.955 . 75.927 . -1.232 0.711 -2.323 2 . 15800 LAT C3 . C3 . . C . . S 0 . . . . no no . . . . 23.175 . 15.384 . 75.136 . -1.045 -0.205 -3.537 3 . 15800 LAT C4 . C4 . . C . . R 0 . . . . no no . . . . 21.957 . 14.835 . 75.867 . 0.455 -0.428 -3.754 4 . 15800 LAT C5 . C5 . . C . . R 0 . . . . no no . . . . 21.929 . 15.374 . 77.289 . 1.077 -0.938 -2.452 5 . 15800 LAT C6 . C6 . . C . . N 0 . . . . no no . . . . 20.745 . 14.816 . 78.048 . 2.569 -1.198 -2.669 6 . 15800 LAT O1 . O1 . . O . . N 0 . . . . no no . . . . 25.347 . 14.809 . 78.097 . -0.677 0.949 0.015 7 . 15800 LAT O2 . O2 . . O . . N 0 . . . . no no . . . . 25.601 . 15.386 . 75.280 . -2.623 0.816 -2.010 8 . 15800 LAT O3 . O3 . . O . . N 0 . . . . no no . . . . 23.272 . 14.957 . 73.786 . -1.614 0.410 -4.694 9 . 15800 LAT O4 . O4 . . O . . N 0 . . . . no no . . . . 22.027 . 13.423 . 75.959 . 1.072 0.804 -4.133 10 . 15800 LAT O5 . O5 . . O . . N 0 . . . . no no . . . . 23.113 . 14.938 . 77.987 . 0.910 0.036 -1.424 11 . 15800 LAT O6 . O6 . . O . . N 0 . . . . no no . . . . 20.907 . 15.096 . 79.425 . 3.150 -1.677 -1.455 12 . 15800 LAT C1' . C1' . . C . . R 0 . . . . no no . . . . 27.195 . 15.055 . 81.755 . 0.011 0.041 3.973 13 . 15800 LAT C2' . C2' . . C . . R 0 . . . . no no . . . . 25.680 . 15.187 . 81.860 . 1.274 0.323 3.156 14 . 15800 LAT C3' . C3' . . C . . R 0 . . . . no no . . . . 25.055 . 14.764 . 80.516 . 0.882 1.047 1.863 15 . 15800 LAT C4' . C4' . . C . . S 0 . . . . no no . . . . 25.709 . 15.482 . 79.329 . -0.190 0.221 1.144 16 . 15800 LAT C5' . C5' . . C . . R 0 . . . . no no . . . . 27.233 . 15.429 . 79.387 . -1.342 -0.054 2.112 17 . 15800 LAT C6' . C6' . . C . . N 0 . . . . no no . . . . 27.890 . 16.349 . 78.374 . -2.432 -0.852 1.394 18 . 15800 LAT O1' . O1' . . O . . N 0 . . . . no yes . . . . 27.785 . 15.504 . 82.930 . 0.370 -0.607 5.194 19 . 15800 LAT O2' . O2' . . O . . N 0 . . . . no no . . . . 25.147 . 14.351 . 82.853 . 2.163 1.145 3.914 20 . 15800 LAT O3' . O3' . . O . . N 0 . . . . no no . . . . 23.661 . 14.972 . 80.608 . 2.027 1.185 1.020 21 . 15800 LAT O5' . O5' . . O . . N 0 . . . . no no . . . . 27.668 . 15.866 . 80.680 . -0.866 -0.801 3.230 22 . 15800 LAT O6' . O6' . . O . . N 0 . . . . no no . . . . 28.766 . 15.614 . 77.533 . -3.512 -1.102 2.295 23 . 15800 LAT H1 . H1 . . H . . N 0 . . . . no no . . . . 24.329 . 16.514 . 77.351 . -0.867 -0.881 -0.920 24 . 15800 LAT H2 . H2 . . H . . N 0 . . . . no no . . . . 24.460 . 13.841 . 75.952 . -0.834 1.700 -2.548 25 . 15800 LAT H3 . H3 . . H . . N 0 . . . . no no . . . . 23.084 . 16.494 . 75.081 . -1.535 -1.161 -3.353 26 . 15800 LAT H4 . H4 . . H . . N 0 . . . . no no . . . . 21.048 . 15.143 . 75.298 . 0.604 -1.167 -4.542 27 . 15800 LAT H5 . H5 . . H . . N 0 . . . . no no . . . . 21.867 . 16.485 . 77.233 . 0.587 -1.865 -2.156 28 . 15800 LAT H61 . H61 . . H . . N 0 . . . . no no . . . . 19.772 . 15.188 . 77.650 . 3.060 -0.271 -2.966 29 . 15800 LAT H62 . H62 . . H . . N 0 . . . . no no . . . . 20.588 . 13.729 . 77.851 . 2.698 -1.944 -3.453 30 . 15800 LAT HO2 . HO2 . . H . . N 0 . . . . no no . . . . 25.667 . 15.105 . 74.374 . -2.693 1.394 -1.239 31 . 15800 LAT HO3 . HO3 . . H . . N 0 . . . . no no . . . . 22.504 . 15.223 . 73.294 . -2.553 0.542 -4.507 32 . 15800 LAT HO4 . HO4 . . H . . N 0 . . . . no no . . . . 21.267 . 13.080 . 76.415 . 0.646 1.089 -4.952 33 . 15800 LAT HO6 . HO6 . . H . . N 0 . . . . no no . . . . 20.163 . 14.745 . 79.901 . 4.089 -1.828 -1.635 34 . 15800 LAT H1' . H1' . . H . . N 0 . . . . no no . . . . 27.455 . 13.985 . 81.578 . -0.492 0.981 4.197 35 . 15800 LAT H2' . H2' . . H . . N 0 . . . . no no . . . . 25.449 . 16.246 . 82.118 . 1.767 -0.617 2.911 36 . 15800 LAT H3' . H3' . . H . . N 0 . . . . no no . . . . 25.243 . 13.683 . 80.317 . 0.484 2.033 2.103 37 . 15800 LAT H4' . H4' . . H . . N 0 . . . . no no . . . . 25.356 . 16.539 . 79.370 . 0.239 -0.723 0.810 38 . 15800 LAT H5' . H5' . . H . . N 0 . . . . no no . . . . 27.525 . 14.375 . 79.167 . -1.756 0.892 2.459 39 . 15800 LAT H6'1 . H6'1 . . H . . N 0 . . . . no no . . . . 27.137 . 16.925 . 77.787 . -2.797 -0.282 0.539 40 . 15800 LAT H6'2 . H6'2 . . H . . N 0 . . . . no no . . . . 28.407 . 17.205 . 78.865 . -2.020 -1.800 1.048 41 . 15800 LAT HO1' . HO1' . . H . . N 0 . . . . no no . . . . 28.729 . 15.421 . 82.864 . -0.450 -0.766 5.678 42 . 15800 LAT HO2' . HO2' . . H . . N 0 . . . . no no . . . . 24.202 . 14.433 . 82.918 . 2.384 0.653 4.716 43 . 15800 LAT HO3' . HO3' . . H . . N 0 . . . . no no . . . . 23.275 . 14.711 . 79.779 . 2.674 1.710 1.510 44 . 15800 LAT HO6' . HO6' . . H . . N 0 . . . . no no . . . . 29.177 . 16.189 . 76.899 . -4.176 -1.606 1.804 45 . 15800 LAT stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . 15800 LAT 2 . SING C1 O1 no N 2 . 15800 LAT 3 . SING C1 O5 no N 3 . 15800 LAT 4 . SING C1 H1 no N 4 . 15800 LAT 5 . SING C2 C3 no N 5 . 15800 LAT 6 . SING C2 O2 no N 6 . 15800 LAT 7 . SING C2 H2 no N 7 . 15800 LAT 8 . SING C3 C4 no N 8 . 15800 LAT 9 . SING C3 O3 no N 9 . 15800 LAT 10 . SING C3 H3 no N 10 . 15800 LAT 11 . SING C4 C5 no N 11 . 15800 LAT 12 . SING C4 O4 no N 12 . 15800 LAT 13 . SING C4 H4 no N 13 . 15800 LAT 14 . SING C5 C6 no N 14 . 15800 LAT 15 . SING C5 O5 no N 15 . 15800 LAT 16 . SING C5 H5 no N 16 . 15800 LAT 17 . SING C6 O6 no N 17 . 15800 LAT 18 . SING C6 H61 no N 18 . 15800 LAT 19 . SING C6 H62 no N 19 . 15800 LAT 20 . SING O1 C4' no N 20 . 15800 LAT 21 . SING O2 HO2 no N 21 . 15800 LAT 22 . SING O3 HO3 no N 22 . 15800 LAT 23 . SING O4 HO4 no N 23 . 15800 LAT 24 . SING O6 HO6 no N 24 . 15800 LAT 25 . SING C1' C2' no N 25 . 15800 LAT 26 . SING C1' O1' no N 26 . 15800 LAT 27 . SING C1' O5' no N 27 . 15800 LAT 28 . SING C1' H1' no N 28 . 15800 LAT 29 . SING C2' C3' no N 29 . 15800 LAT 30 . SING C2' O2' no N 30 . 15800 LAT 31 . SING C2' H2' no N 31 . 15800 LAT 32 . SING C3' C4' no N 32 . 15800 LAT 33 . SING C3' O3' no N 33 . 15800 LAT 34 . SING C3' H3' no N 34 . 15800 LAT 35 . SING C4' C5' no N 35 . 15800 LAT 36 . SING C4' H4' no N 36 . 15800 LAT 37 . SING C5' C6' no N 37 . 15800 LAT 38 . SING C5' O5' no N 38 . 15800 LAT 39 . SING C5' H5' no N 39 . 15800 LAT 40 . SING C6' O6' no N 40 . 15800 LAT 41 . SING C6' H6'1 no N 41 . 15800 LAT 42 . SING C6' H6'2 no N 42 . 15800 LAT 43 . SING O1' HO1' no N 43 . 15800 LAT 44 . SING O2' HO2' no N 44 . 15800 LAT 45 . SING O3' HO3' no N 45 . 15800 LAT 46 . SING O6' HO6' no N 46 . 15800 LAT stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15800 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM potassium phosphate buffer, 8mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 galectin-1 '[U-100% 13C; U-100% 15N]' . . 1 $galectin-1 . . 0.8-1 . . mM . . . . 15800 1 2 lactose 'natural abundance' . . 2 $LAT . . 2 . . mM . . . . 15800 1 3 'potassium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15800 1 4 DTT 'natural abundance' . . . . . . 8 . . mM . . . . 15800 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15800 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM potassium phosphate buffer, 8mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 galectin-1 '[U-100% 13C; U-100% 15N]' . . 1 $galectin-1 . . 0.8-1 . . mM . . . . 15800 2 2 lactose 'natural abundance' . . 2 $LAT . . 2 . . mM . . . . 15800 2 3 'potassium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 15800 2 4 DTT 'natural abundance' . . . . . . 8 . . mM . . . . 15800 2 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 15800 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 15800 1 pH 5.2 . pH 15800 1 pressure 1 . atm 15800 1 temperature 303 . K 15800 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15800 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15800 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15800 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15800 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15800 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 15800 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 15800 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15800 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15800 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15800 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15800 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15800 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15800 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15800 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15800 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.725 na indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 15800 1 H 1 water protons . . . . ppm 4.725 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15800 1 N 15 water protons . . . . ppm 4.725 na indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15800 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15800 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15800 1 2 '2D 1H-13C HSQC' . . . 15800 1 3 '3D CBCA(CO)NH' . . . 15800 1 4 '3D HNCACB' . . . 15800 1 5 '3D 1H-15N NOESY' . . . 15800 1 6 '3D 1H-13C NOESY' . . . 15800 1 7 '3D HCCH-TOCSY' . . . 15800 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA H H 1 8.33 0.05 . 1 . . 1 . 1 ALA H . 15800 1 2 . 1 1 1 1 ALA HA H 1 4.47 0.05 . 1 . . 1 . 1 ALA HA . 15800 1 3 . 1 1 1 1 ALA HB1 H 1 1.44 0.05 . 1 . . 1 . 1 ALA HB . 15800 1 4 . 1 1 1 1 ALA HB2 H 1 1.44 0.05 . 1 . . 1 . 1 ALA HB . 15800 1 5 . 1 1 1 1 ALA HB3 H 1 1.44 0.05 . 1 . . 1 . 1 ALA HB . 15800 1 6 . 1 1 1 1 ALA CA C 13 52.38 0.5 . 1 . . 1 . 1 ALA CA . 15800 1 7 . 1 1 1 1 ALA CB C 13 19.72 0.5 . 1 . . 1 . 1 ALA CB . 15800 1 8 . 1 1 1 1 ALA N N 15 125.15 0.4 . 1 . . 1 . 1 ALA N . 15800 1 9 . 1 1 2 2 CYS H H 1 8.52 0.05 . 1 . . 1 . 2 CYS H . 15800 1 10 . 1 1 2 2 CYS HA H 1 4.72 0.05 . 1 . . 1 . 2 CYS HA . 15800 1 11 . 1 1 2 2 CYS HB2 H 1 3.09 0.05 . 2 . . 1 . 2 CYS HB2 . 15800 1 12 . 1 1 2 2 CYS HB3 H 1 2.99 0.05 . 2 . . 1 . 2 CYS HB3 . 15800 1 13 . 1 1 2 2 CYS CA C 13 59.42 0.5 . 1 . . 1 . 2 CYS CA . 15800 1 14 . 1 1 2 2 CYS CB C 13 26.75 0.5 . 1 . . 1 . 2 CYS CB . 15800 1 15 . 1 1 2 2 CYS N N 15 119.11 0.4 . 1 . . 1 . 2 CYS N . 15800 1 16 . 1 1 3 3 GLY H H 1 8.25 0.05 . 1 . . 1 . 3 GLY H . 15800 1 17 . 1 1 3 3 GLY HA2 H 1 4.45 0.05 . 2 . . 1 . 3 GLY HA2 . 15800 1 18 . 1 1 3 3 GLY HA3 H 1 4.00 0.05 . 2 . . 1 . 3 GLY HA3 . 15800 1 19 . 1 1 3 3 GLY CA C 13 45.01 0.5 . 1 . . 1 . 3 GLY CA . 15800 1 20 . 1 1 3 3 GLY N N 15 112.42 0.4 . 1 . . 1 . 3 GLY N . 15800 1 21 . 1 1 4 4 LEU H H 1 7.70 0.05 . 1 . . 1 . 4 LEU H . 15800 1 22 . 1 1 4 4 LEU HA H 1 4.28 0.05 . 1 . . 1 . 4 LEU HA . 15800 1 23 . 1 1 4 4 LEU HB2 H 1 1.66 0.05 . 2 . . 1 . 4 LEU HB2 . 15800 1 24 . 1 1 4 4 LEU HB3 H 1 1.54 0.05 . 2 . . 1 . 4 LEU HB3 . 15800 1 25 . 1 1 4 4 LEU HD11 H 1 0.87 0.05 . 2 . . 1 . 4 LEU HD1 . 15800 1 26 . 1 1 4 4 LEU HD12 H 1 0.87 0.05 . 2 . . 1 . 4 LEU HD1 . 15800 1 27 . 1 1 4 4 LEU HD13 H 1 0.87 0.05 . 2 . . 1 . 4 LEU HD1 . 15800 1 28 . 1 1 4 4 LEU HD21 H 1 0.77 0.05 . 2 . . 1 . 4 LEU HD2 . 15800 1 29 . 1 1 4 4 LEU HD22 H 1 0.77 0.05 . 2 . . 1 . 4 LEU HD2 . 15800 1 30 . 1 1 4 4 LEU HD23 H 1 0.77 0.05 . 2 . . 1 . 4 LEU HD2 . 15800 1 31 . 1 1 4 4 LEU HG H 1 1.63 0.05 . 1 . . 1 . 4 LEU HG . 15800 1 32 . 1 1 4 4 LEU CA C 13 56.75 0.5 . 1 . . 1 . 4 LEU CA . 15800 1 33 . 1 1 4 4 LEU CB C 13 44.05 0.5 . 1 . . 1 . 4 LEU CB . 15800 1 34 . 1 1 4 4 LEU CD1 C 13 26.55 0.5 . 1 . . 1 . 4 LEU CD1 . 15800 1 35 . 1 1 4 4 LEU CD2 C 13 25.83 0.5 . 1 . . 1 . 4 LEU CD2 . 15800 1 36 . 1 1 4 4 LEU CG C 13 27.49 0.5 . 1 . . 1 . 4 LEU CG . 15800 1 37 . 1 1 4 4 LEU N N 15 121.73 0.4 . 1 . . 1 . 4 LEU N . 15800 1 38 . 1 1 5 5 VAL H H 1 8.02 0.05 . 1 . . 1 . 5 VAL H . 15800 1 39 . 1 1 5 5 VAL HA H 1 4.72 0.05 . 1 . . 1 . 5 VAL HA . 15800 1 40 . 1 1 5 5 VAL HB H 1 1.97 0.05 . 1 . . 1 . 5 VAL HB . 15800 1 41 . 1 1 5 5 VAL HG11 H 1 0.96 0.05 . 2 . . 1 . 5 VAL HG1 . 15800 1 42 . 1 1 5 5 VAL HG12 H 1 0.96 0.05 . 2 . . 1 . 5 VAL HG1 . 15800 1 43 . 1 1 5 5 VAL HG13 H 1 0.96 0.05 . 2 . . 1 . 5 VAL HG1 . 15800 1 44 . 1 1 5 5 VAL HG21 H 1 0.87 0.05 . 2 . . 1 . 5 VAL HG2 . 15800 1 45 . 1 1 5 5 VAL HG22 H 1 0.87 0.05 . 2 . . 1 . 5 VAL HG2 . 15800 1 46 . 1 1 5 5 VAL HG23 H 1 0.87 0.05 . 2 . . 1 . 5 VAL HG2 . 15800 1 47 . 1 1 5 5 VAL CA C 13 62.38 0.5 . 1 . . 1 . 5 VAL CA . 15800 1 48 . 1 1 5 5 VAL CB C 13 34.26 0.5 . 1 . . 1 . 5 VAL CB . 15800 1 49 . 1 1 5 5 VAL CG1 C 13 21.89 0.5 . 1 . . 1 . 5 VAL CG1 . 15800 1 50 . 1 1 5 5 VAL CG2 C 13 21.07 0.5 . 1 . . 1 . 5 VAL CG2 . 15800 1 51 . 1 1 5 5 VAL N N 15 123.52 0.4 . 1 . . 1 . 5 VAL N . 15800 1 52 . 1 1 6 6 ALA H H 1 9.58 0.05 . 1 . . 1 . 6 ALA H . 15800 1 53 . 1 1 6 6 ALA HA H 1 5.67 0.05 . 1 . . 1 . 6 ALA HA . 15800 1 54 . 1 1 6 6 ALA HB1 H 1 1.27 0.05 . 1 . . 1 . 6 ALA HB . 15800 1 55 . 1 1 6 6 ALA HB2 H 1 1.27 0.05 . 1 . . 1 . 6 ALA HB . 15800 1 56 . 1 1 6 6 ALA HB3 H 1 1.27 0.05 . 1 . . 1 . 6 ALA HB . 15800 1 57 . 1 1 6 6 ALA CA C 13 50.51 0.5 . 1 . . 1 . 6 ALA CA . 15800 1 58 . 1 1 6 6 ALA CB C 13 19.88 0.5 . 1 . . 1 . 6 ALA CB . 15800 1 59 . 1 1 6 6 ALA N N 15 129.91 0.4 . 1 . . 1 . 6 ALA N . 15800 1 60 . 1 1 7 7 SER H H 1 9.34 0.05 . 1 . . 1 . 7 SER H . 15800 1 61 . 1 1 7 7 SER HA H 1 5.66 0.05 . 1 . . 1 . 7 SER HA . 15800 1 62 . 1 1 7 7 SER HB2 H 1 4.04 0.05 . 2 . . 1 . 7 SER HB2 . 15800 1 63 . 1 1 7 7 SER HB3 H 1 3.94 0.05 . 2 . . 1 . 7 SER HB3 . 15800 1 64 . 1 1 7 7 SER CA C 13 56.93 0.5 . 1 . . 1 . 7 SER CA . 15800 1 65 . 1 1 7 7 SER CB C 13 66.10 0.5 . 1 . . 1 . 7 SER CB . 15800 1 66 . 1 1 7 7 SER N N 15 114.77 0.4 . 1 . . 1 . 7 SER N . 15800 1 67 . 1 1 8 8 ASN H H 1 8.32 0.05 . 1 . . 1 . 8 ASN H . 15800 1 68 . 1 1 8 8 ASN HA H 1 4.49 0.05 . 1 . . 1 . 8 ASN HA . 15800 1 69 . 1 1 8 8 ASN HB2 H 1 3.20 0.05 . 2 . . 1 . 8 ASN HB2 . 15800 1 70 . 1 1 8 8 ASN HB3 H 1 3.03 0.05 . 2 . . 1 . 8 ASN HB3 . 15800 1 71 . 1 1 8 8 ASN HD21 H 1 7.44 0.05 . 2 . . 1 . 8 ASN HD21 . 15800 1 72 . 1 1 8 8 ASN HD22 H 1 6.99 0.05 . 2 . . 1 . 8 ASN HD22 . 15800 1 73 . 1 1 8 8 ASN CA C 13 54.54 0.5 . 1 . . 1 . 8 ASN CA . 15800 1 74 . 1 1 8 8 ASN CB C 13 37.07 0.5 . 1 . . 1 . 8 ASN CB . 15800 1 75 . 1 1 8 8 ASN N N 15 115.44 0.4 . 1 . . 1 . 8 ASN N . 15800 1 76 . 1 1 8 8 ASN ND2 N 15 113.19 0.4 . 1 . . 1 . 8 ASN ND2 . 15800 1 77 . 1 1 9 9 LEU H H 1 7.97 0.05 . 1 . . 1 . 9 LEU H . 15800 1 78 . 1 1 9 9 LEU HA H 1 3.73 0.05 . 1 . . 1 . 9 LEU HA . 15800 1 79 . 1 1 9 9 LEU HB2 H 1 1.62 0.05 . 2 . . 1 . 9 LEU HB2 . 15800 1 80 . 1 1 9 9 LEU HB3 H 1 1.45 0.05 . 2 . . 1 . 9 LEU HB3 . 15800 1 81 . 1 1 9 9 LEU HD11 H 1 0.67 0.05 . 2 . . 1 . 9 LEU HD1 . 15800 1 82 . 1 1 9 9 LEU HD12 H 1 0.67 0.05 . 2 . . 1 . 9 LEU HD1 . 15800 1 83 . 1 1 9 9 LEU HD13 H 1 0.67 0.05 . 2 . . 1 . 9 LEU HD1 . 15800 1 84 . 1 1 9 9 LEU HD21 H 1 0.69 0.05 . 2 . . 1 . 9 LEU HD2 . 15800 1 85 . 1 1 9 9 LEU HD22 H 1 0.69 0.05 . 2 . . 1 . 9 LEU HD2 . 15800 1 86 . 1 1 9 9 LEU HD23 H 1 0.69 0.05 . 2 . . 1 . 9 LEU HD2 . 15800 1 87 . 1 1 9 9 LEU HG H 1 1.49 0.05 . 1 . . 1 . 9 LEU HG . 15800 1 88 . 1 1 9 9 LEU CA C 13 57.89 0.5 . 1 . . 1 . 9 LEU CA . 15800 1 89 . 1 1 9 9 LEU CB C 13 42.44 0.5 . 1 . . 1 . 9 LEU CB . 15800 1 90 . 1 1 9 9 LEU CD1 C 13 25.86 0.5 . 1 . . 1 . 9 LEU CD1 . 15800 1 91 . 1 1 9 9 LEU CD2 C 13 25.45 0.5 . 1 . . 1 . 9 LEU CD2 . 15800 1 92 . 1 1 9 9 LEU CG C 13 28.03 0.5 . 1 . . 1 . 9 LEU CG . 15800 1 93 . 1 1 9 9 LEU N N 15 115.17 0.4 . 1 . . 1 . 9 LEU N . 15800 1 94 . 1 1 10 10 ASN H H 1 8.58 0.05 . 1 . . 1 . 10 ASN H . 15800 1 95 . 1 1 10 10 ASN HA H 1 4.13 0.05 . 1 . . 1 . 10 ASN HA . 15800 1 96 . 1 1 10 10 ASN HB2 H 1 3.05 0.05 . 2 . . 1 . 10 ASN HB2 . 15800 1 97 . 1 1 10 10 ASN HB3 H 1 2.33 0.05 . 2 . . 1 . 10 ASN HB3 . 15800 1 98 . 1 1 10 10 ASN HD21 H 1 7.39 0.05 . 2 . . 1 . 10 ASN HD21 . 15800 1 99 . 1 1 10 10 ASN HD22 H 1 6.66 0.05 . 2 . . 1 . 10 ASN HD22 . 15800 1 100 . 1 1 10 10 ASN CA C 13 53.58 0.5 . 1 . . 1 . 10 ASN CA . 15800 1 101 . 1 1 10 10 ASN CB C 13 38.40 0.5 . 1 . . 1 . 10 ASN CB . 15800 1 102 . 1 1 10 10 ASN N N 15 114.72 0.4 . 1 . . 1 . 10 ASN N . 15800 1 103 . 1 1 10 10 ASN ND2 N 15 110.43 0.4 . 1 . . 1 . 10 ASN ND2 . 15800 1 104 . 1 1 11 11 LEU H H 1 8.08 0.05 . 1 . . 1 . 11 LEU H . 15800 1 105 . 1 1 11 11 LEU HA H 1 4.46 0.05 . 1 . . 1 . 11 LEU HA . 15800 1 106 . 1 1 11 11 LEU HB2 H 1 1.89 0.05 . 2 . . 1 . 11 LEU HB2 . 15800 1 107 . 1 1 11 11 LEU HB3 H 1 1.30 0.05 . 2 . . 1 . 11 LEU HB3 . 15800 1 108 . 1 1 11 11 LEU HD11 H 1 1.00 0.05 . 2 . . 1 . 11 LEU HD1 . 15800 1 109 . 1 1 11 11 LEU HD12 H 1 1.00 0.05 . 2 . . 1 . 11 LEU HD1 . 15800 1 110 . 1 1 11 11 LEU HD13 H 1 1.00 0.05 . 2 . . 1 . 11 LEU HD1 . 15800 1 111 . 1 1 11 11 LEU HD21 H 1 0.87 0.05 . 2 . . 1 . 11 LEU HD2 . 15800 1 112 . 1 1 11 11 LEU HD22 H 1 0.87 0.05 . 2 . . 1 . 11 LEU HD2 . 15800 1 113 . 1 1 11 11 LEU HD23 H 1 0.87 0.05 . 2 . . 1 . 11 LEU HD2 . 15800 1 114 . 1 1 11 11 LEU HG H 1 1.80 0.05 . 1 . . 1 . 11 LEU HG . 15800 1 115 . 1 1 11 11 LEU CA C 13 55.88 0.5 . 1 . . 1 . 11 LEU CA . 15800 1 116 . 1 1 11 11 LEU CB C 13 43.99 0.5 . 1 . . 1 . 11 LEU CB . 15800 1 117 . 1 1 11 11 LEU CD1 C 13 26.29 0.5 . 1 . . 1 . 11 LEU CD1 . 15800 1 118 . 1 1 11 11 LEU CD2 C 13 26.24 0.5 . 1 . . 1 . 11 LEU CD2 . 15800 1 119 . 1 1 11 11 LEU CG C 13 27.80 0.5 . 1 . . 1 . 11 LEU CG . 15800 1 120 . 1 1 11 11 LEU N N 15 120.45 0.4 . 1 . . 1 . 11 LEU N . 15800 1 121 . 1 1 12 12 LYS H H 1 8.51 0.05 . 1 . . 1 . 12 LYS H . 15800 1 122 . 1 1 12 12 LYS HA H 1 4.95 0.05 . 1 . . 1 . 12 LYS HA . 15800 1 123 . 1 1 12 12 LYS CA C 13 53.6 0.5 . 1 . . 1 . 12 LYS CA . 15800 1 124 . 1 1 12 12 LYS CB C 13 34.0 0.5 . 1 . . 1 . 12 LYS CB . 15800 1 125 . 1 1 12 12 LYS N N 15 127.39 0.4 . 1 . . 1 . 12 LYS N . 15800 1 126 . 1 1 13 13 PRO HA H 1 3.49 0.05 . 1 . . 1 . 13 PRO HA . 15800 1 127 . 1 1 13 13 PRO HB2 H 1 1.92 0.05 . 2 . . 1 . 13 PRO HB2 . 15800 1 128 . 1 1 13 13 PRO HB3 H 1 1.77 0.05 . 2 . . 1 . 13 PRO HB3 . 15800 1 129 . 1 1 13 13 PRO HD2 H 1 4.05 0.05 . 2 . . 1 . 13 PRO HD2 . 15800 1 130 . 1 1 13 13 PRO HD3 H 1 3.53 0.05 . 2 . . 1 . 13 PRO HD3 . 15800 1 131 . 1 1 13 13 PRO HG2 H 1 2.07 0.05 . 2 . . 1 . 13 PRO HG2 . 15800 1 132 . 1 1 13 13 PRO HG3 H 1 1.34 0.05 . 2 . . 1 . 13 PRO HG3 . 15800 1 133 . 1 1 13 13 PRO CA C 13 64.28 0.5 . 1 . . 1 . 13 PRO CA . 15800 1 134 . 1 1 13 13 PRO CB C 13 31.84 0.5 . 1 . . 1 . 13 PRO CB . 15800 1 135 . 1 1 13 13 PRO CD C 13 50.72 0.5 . 1 . . 1 . 13 PRO CD . 15800 1 136 . 1 1 13 13 PRO CG C 13 28.14 0.5 . 1 . . 1 . 13 PRO CG . 15800 1 137 . 1 1 14 14 GLY H H 1 8.78 0.05 . 1 . . 1 . 14 GLY H . 15800 1 138 . 1 1 14 14 GLY HA2 H 1 4.34 0.05 . 2 . . 1 . 14 GLY HA2 . 15800 1 139 . 1 1 14 14 GLY HA3 H 1 3.59 0.05 . 2 . . 1 . 14 GLY HA3 . 15800 1 140 . 1 1 14 14 GLY CA C 13 45.18 0.5 . 1 . . 1 . 14 GLY CA . 15800 1 141 . 1 1 14 14 GLY N N 15 113.87 . . 1 . . 1 . 14 GLY N . 15800 1 142 . 1 1 15 15 GLU H H 1 8.02 0.05 . 1 . . 1 . 15 GLU H . 15800 1 143 . 1 1 15 15 GLU HA H 1 4.56 0.05 . 1 . . 1 . 15 GLU HA . 15800 1 144 . 1 1 15 15 GLU HB2 H 1 2.16 0.05 . 2 . . 1 . 15 GLU HB2 . 15800 1 145 . 1 1 15 15 GLU HB3 H 1 2.14 0.05 . 2 . . 1 . 15 GLU HB3 . 15800 1 146 . 1 1 15 15 GLU HG2 H 1 2.24 0.05 . 2 . . 1 . 15 GLU HG2 . 15800 1 147 . 1 1 15 15 GLU HG3 H 1 2.24 0.05 . 2 . . 1 . 15 GLU HG3 . 15800 1 148 . 1 1 15 15 GLU CA C 13 56.76 0.5 . 1 . . 1 . 15 GLU CA . 15800 1 149 . 1 1 15 15 GLU CB C 13 33.74 0.5 . 1 . . 1 . 15 GLU CB . 15800 1 150 . 1 1 15 15 GLU CG C 13 37.52 0.5 . 1 . . 1 . 15 GLU CG . 15800 1 151 . 1 1 15 15 GLU N N 15 121.19 0.4 . 1 . . 1 . 15 GLU N . 15800 1 152 . 1 1 16 16 CYS H H 1 8.72 0.05 . 1 . . 1 . 16 CYS H . 15800 1 153 . 1 1 16 16 CYS HA H 1 5.19 0.05 . 1 . . 1 . 16 CYS HA . 15800 1 154 . 1 1 16 16 CYS HB2 H 1 2.76 0.05 . 2 . . 1 . 16 CYS HB2 . 15800 1 155 . 1 1 16 16 CYS HB3 H 1 2.76 0.05 . 2 . . 1 . 16 CYS HB3 . 15800 1 156 . 1 1 16 16 CYS CA C 13 57.04 0.5 . 1 . . 1 . 16 CYS CA . 15800 1 157 . 1 1 16 16 CYS CB C 13 30.35 0.5 . 1 . . 1 . 16 CYS CB . 15800 1 158 . 1 1 16 16 CYS N N 15 120.40 0.4 . 1 . . 1 . 16 CYS N . 15800 1 159 . 1 1 17 17 LEU H H 1 8.93 0.05 . 1 . . 1 . 17 LEU H . 15800 1 160 . 1 1 17 17 LEU HA H 1 4.93 0.05 . 1 . . 1 . 17 LEU HA . 15800 1 161 . 1 1 17 17 LEU HB2 H 1 1.77 0.05 . 2 . . 1 . 17 LEU HB2 . 15800 1 162 . 1 1 17 17 LEU HB3 H 1 1.39 0.05 . 2 . . 1 . 17 LEU HB3 . 15800 1 163 . 1 1 17 17 LEU HD11 H 1 0.61 0.05 . 2 . . 1 . 17 LEU HD1 . 15800 1 164 . 1 1 17 17 LEU HD12 H 1 0.61 0.05 . 2 . . 1 . 17 LEU HD1 . 15800 1 165 . 1 1 17 17 LEU HD13 H 1 0.61 0.05 . 2 . . 1 . 17 LEU HD1 . 15800 1 166 . 1 1 17 17 LEU HG H 1 0.72 0.05 . 1 . . 1 . 17 LEU HG . 15800 1 167 . 1 1 17 17 LEU CA C 13 53.63 0.5 . 1 . . 1 . 17 LEU CA . 15800 1 168 . 1 1 17 17 LEU CB C 13 45.29 0.5 . 1 . . 1 . 17 LEU CB . 15800 1 169 . 1 1 17 17 LEU CD1 C 13 24.81 0.5 . 1 . . 1 . 17 LEU CD1 . 15800 1 170 . 1 1 17 17 LEU N N 15 128.32 0.4 . 1 . . 1 . 17 LEU N . 15800 1 171 . 1 1 18 18 ARG H H 1 9.15 0.05 . 1 . . 1 . 18 ARG H . 15800 1 172 . 1 1 18 18 ARG HA H 1 5.14 0.05 . 1 . . 1 . 18 ARG HA . 15800 1 173 . 1 1 18 18 ARG HB2 H 1 1.66 0.05 . 2 . . 1 . 18 ARG HB2 . 15800 1 174 . 1 1 18 18 ARG HB3 H 1 1.60 0.05 . 2 . . 1 . 18 ARG HB3 . 15800 1 175 . 1 1 18 18 ARG HD2 H 1 3.07 0.05 . 2 . . 1 . 18 ARG HD2 . 15800 1 176 . 1 1 18 18 ARG HD3 H 1 3.07 0.05 . 2 . . 1 . 18 ARG HD3 . 15800 1 177 . 1 1 18 18 ARG HG2 H 1 1.51 0.05 . 2 . . 1 . 18 ARG HG2 . 15800 1 178 . 1 1 18 18 ARG HG3 H 1 1.31 0.05 . 2 . . 1 . 18 ARG HG3 . 15800 1 179 . 1 1 18 18 ARG CA C 13 54.96 0.5 . 1 . . 1 . 18 ARG CA . 15800 1 180 . 1 1 18 18 ARG CB C 13 33.02 0.5 . 1 . . 1 . 18 ARG CB . 15800 1 181 . 1 1 18 18 ARG CD C 13 43.74 0.5 . 1 . . 1 . 18 ARG CD . 15800 1 182 . 1 1 18 18 ARG CG C 13 28.43 0.5 . 1 . . 1 . 18 ARG CG . 15800 1 183 . 1 1 18 18 ARG N N 15 127.23 0.4 . 1 . . 1 . 18 ARG N . 15800 1 184 . 1 1 19 19 VAL H H 1 8.86 0.05 . 1 . . 1 . 19 VAL H . 15800 1 185 . 1 1 19 19 VAL HA H 1 4.80 0.05 . 1 . . 1 . 19 VAL HA . 15800 1 186 . 1 1 19 19 VAL HB H 1 1.97 0.05 . 1 . . 1 . 19 VAL HB . 15800 1 187 . 1 1 19 19 VAL HG11 H 1 1.00 0.05 . 2 . . 1 . 19 VAL HG1 . 15800 1 188 . 1 1 19 19 VAL HG12 H 1 1.00 0.05 . 2 . . 1 . 19 VAL HG1 . 15800 1 189 . 1 1 19 19 VAL HG13 H 1 1.00 0.05 . 2 . . 1 . 19 VAL HG1 . 15800 1 190 . 1 1 19 19 VAL HG21 H 1 0.84 0.05 . 2 . . 1 . 19 VAL HG2 . 15800 1 191 . 1 1 19 19 VAL HG22 H 1 0.84 0.05 . 2 . . 1 . 19 VAL HG2 . 15800 1 192 . 1 1 19 19 VAL HG23 H 1 0.84 0.05 . 2 . . 1 . 19 VAL HG2 . 15800 1 193 . 1 1 19 19 VAL CA C 13 61.19 0.5 . 1 . . 1 . 19 VAL CA . 15800 1 194 . 1 1 19 19 VAL CB C 13 32.95 0.5 . 1 . . 1 . 19 VAL CB . 15800 1 195 . 1 1 19 19 VAL CG1 C 13 22.47 0.5 . 1 . . 1 . 19 VAL CG1 . 15800 1 196 . 1 1 19 19 VAL CG2 C 13 21.60 0.5 . 1 . . 1 . 19 VAL CG2 . 15800 1 197 . 1 1 19 19 VAL N N 15 123.82 0.4 . 1 . . 1 . 19 VAL N . 15800 1 198 . 1 1 20 20 ARG H H 1 9.05 0.05 . 1 . . 1 . 20 ARG H . 15800 1 199 . 1 1 20 20 ARG HA H 1 5.63 0.05 . 1 . . 1 . 20 ARG HA . 15800 1 200 . 1 1 20 20 ARG HB2 H 1 1.48 0.05 . 2 . . 1 . 20 ARG HB2 . 15800 1 201 . 1 1 20 20 ARG HB3 H 1 1.48 0.05 . 2 . . 1 . 20 ARG HB3 . 15800 1 202 . 1 1 20 20 ARG HD2 H 1 3.11 0.05 . 2 . . 1 . 20 ARG HD2 . 15800 1 203 . 1 1 20 20 ARG HD3 H 1 3.11 0.05 . 2 . . 1 . 20 ARG HD3 . 15800 1 204 . 1 1 20 20 ARG HG2 H 1 1.32 0.05 . 2 . . 1 . 20 ARG HG2 . 15800 1 205 . 1 1 20 20 ARG HG3 H 1 1.31 0.05 . 2 . . 1 . 20 ARG HG3 . 15800 1 206 . 1 1 20 20 ARG CA C 13 54.26 0.5 . 1 . . 1 . 20 ARG CA . 15800 1 207 . 1 1 20 20 ARG CB C 13 28.42 0.5 . 1 . . 1 . 20 ARG CB . 15800 1 208 . 1 1 20 20 ARG CD C 13 43.74 0.5 . 1 . . 1 . 20 ARG CD . 15800 1 209 . 1 1 20 20 ARG CG C 13 28.74 0.5 . 1 . . 1 . 20 ARG CG . 15800 1 210 . 1 1 20 20 ARG N N 15 127.33 0.4 . 1 . . 1 . 20 ARG N . 15800 1 211 . 1 1 21 21 GLY H H 1 9.13 0.05 . 1 . . 1 . 21 GLY H . 15800 1 212 . 1 1 21 21 GLY HA2 H 1 4.24 0.05 . 2 . . 1 . 21 GLY HA2 . 15800 1 213 . 1 1 21 21 GLY HA3 H 1 2.72 0.05 . 2 . . 1 . 21 GLY HA3 . 15800 1 214 . 1 1 21 21 GLY CA C 13 45.98 0.5 . 1 . . 1 . 21 GLY CA . 15800 1 215 . 1 1 21 21 GLY N N 15 114.50 0.4 . 1 . . 1 . 21 GLY N . 15800 1 216 . 1 1 22 22 GLU H H 1 8.38 0.05 . 1 . . 1 . 22 GLU H . 15800 1 217 . 1 1 22 22 GLU HA H 1 4.55 0.05 . 1 . . 1 . 22 GLU HA . 15800 1 218 . 1 1 22 22 GLU HB2 H 1 1.87 0.05 . 2 . . 1 . 22 GLU HB2 . 15800 1 219 . 1 1 22 22 GLU HB3 H 1 1.68 0.05 . 2 . . 1 . 22 GLU HB3 . 15800 1 220 . 1 1 22 22 GLU HG2 H 1 1.96 0.05 . 2 . . 1 . 22 GLU HG2 . 15800 1 221 . 1 1 22 22 GLU HG3 H 1 1.96 0.05 . 2 . . 1 . 22 GLU HG3 . 15800 1 222 . 1 1 22 22 GLU CA C 13 54.72 0.5 . 1 . . 1 . 22 GLU CA . 15800 1 223 . 1 1 22 22 GLU CB C 13 32.18 0.5 . 1 . . 1 . 22 GLU CB . 15800 1 224 . 1 1 22 22 GLU CG C 13 36.08 0.5 . 1 . . 1 . 22 GLU CG . 15800 1 225 . 1 1 22 22 GLU N N 15 119.13 0.4 . 1 . . 1 . 22 GLU N . 15800 1 226 . 1 1 23 23 VAL H H 1 8.99 0.05 . 1 . . 1 . 23 VAL H . 15800 1 227 . 1 1 23 23 VAL HA H 1 4.15 0.05 . 1 . . 1 . 23 VAL HA . 15800 1 228 . 1 1 23 23 VAL HB H 1 2.42 0.05 . 1 . . 1 . 23 VAL HB . 15800 1 229 . 1 1 23 23 VAL HG11 H 1 1.08 0.05 . 2 . . 1 . 23 VAL HG1 . 15800 1 230 . 1 1 23 23 VAL HG12 H 1 1.08 0.05 . 2 . . 1 . 23 VAL HG1 . 15800 1 231 . 1 1 23 23 VAL HG13 H 1 1.08 0.05 . 2 . . 1 . 23 VAL HG1 . 15800 1 232 . 1 1 23 23 VAL HG21 H 1 1.00 0.05 . 2 . . 1 . 23 VAL HG2 . 15800 1 233 . 1 1 23 23 VAL HG22 H 1 1.00 0.05 . 2 . . 1 . 23 VAL HG2 . 15800 1 234 . 1 1 23 23 VAL HG23 H 1 1.00 0.05 . 2 . . 1 . 23 VAL HG2 . 15800 1 235 . 1 1 23 23 VAL CA C 13 62.69 0.5 . 1 . . 1 . 23 VAL CA . 15800 1 236 . 1 1 23 23 VAL CB C 13 32.14 0.5 . 1 . . 1 . 23 VAL CB . 15800 1 237 . 1 1 23 23 VAL CG1 C 13 22.39 0.5 . 1 . . 1 . 23 VAL CG1 . 15800 1 238 . 1 1 23 23 VAL CG2 C 13 22.19 0.5 . 1 . . 1 . 23 VAL CG2 . 15800 1 239 . 1 1 23 23 VAL N N 15 129.82 0.4 . 1 . . 1 . 23 VAL N . 15800 1 240 . 1 1 24 24 ALA H H 1 7.84 0.05 . 1 . . 1 . 24 ALA H . 15800 1 241 . 1 1 24 24 ALA HA H 1 4.41 0.05 . 1 . . 1 . 24 ALA HA . 15800 1 242 . 1 1 24 24 ALA HB1 H 1 1.32 0.05 . 1 . . 1 . 24 ALA HB . 15800 1 243 . 1 1 24 24 ALA HB2 H 1 1.32 0.05 . 1 . . 1 . 24 ALA HB . 15800 1 244 . 1 1 24 24 ALA HB3 H 1 1.32 0.05 . 1 . . 1 . 24 ALA HB . 15800 1 245 . 1 1 24 24 ALA CA C 13 52.58 0.5 . 1 . . 1 . 24 ALA CA . 15800 1 246 . 1 1 24 24 ALA CB C 13 18.22 0.5 . 1 . . 1 . 24 ALA CB . 15800 1 247 . 1 1 24 24 ALA N N 15 133.09 0.4 . 1 . . 1 . 24 ALA N . 15800 1 248 . 1 1 25 25 PRO HA H 1 4.02 0.05 . 1 . . 1 . 25 PRO HA . 15800 1 249 . 1 1 25 25 PRO HB2 H 1 2.27 0.05 . 2 . . 1 . 25 PRO HB2 . 15800 1 250 . 1 1 25 25 PRO HB3 H 1 1.89 0.05 . 2 . . 1 . 25 PRO HB3 . 15800 1 251 . 1 1 25 25 PRO HD2 H 1 3.83 0.05 . 2 . . 1 . 25 PRO HD2 . 15800 1 252 . 1 1 25 25 PRO HD3 H 1 3.67 0.05 . 2 . . 1 . 25 PRO HD3 . 15800 1 253 . 1 1 25 25 PRO HG2 H 1 2.02 0.05 . 2 . . 1 . 25 PRO HG2 . 15800 1 254 . 1 1 25 25 PRO CA C 13 64.60 0.5 . 1 . . 1 . 25 PRO CA . 15800 1 255 . 1 1 25 25 PRO CB C 13 31.87 0.5 . 1 . . 1 . 25 PRO CB . 15800 1 256 . 1 1 25 25 PRO CD C 13 50.62 0.5 . 1 . . 1 . 25 PRO CD . 15800 1 257 . 1 1 25 25 PRO CG C 13 28.12 0.5 . 1 . . 1 . 25 PRO CG . 15800 1 258 . 1 1 26 26 ASP H H 1 8.23 0.05 . 1 . . 1 . 26 ASP H . 15800 1 259 . 1 1 26 26 ASP HA H 1 4.53 0.05 . 1 . . 1 . 26 ASP HA . 15800 1 260 . 1 1 26 26 ASP HB2 H 1 2.68 0.05 . 2 . . 1 . 26 ASP HB2 . 15800 1 261 . 1 1 26 26 ASP HB3 H 1 2.55 0.05 . 2 . . 1 . 26 ASP HB3 . 15800 1 262 . 1 1 26 26 ASP CA C 13 52.32 0.5 . 1 . . 1 . 26 ASP CA . 15800 1 263 . 1 1 26 26 ASP CB C 13 39.54 0.5 . 1 . . 1 . 26 ASP CB . 15800 1 264 . 1 1 26 26 ASP N N 15 116.80 0.4 . 1 . . 1 . 26 ASP N . 15800 1 265 . 1 1 27 27 ALA H H 1 6.72 0.05 . 1 . . 1 . 27 ALA H . 15800 1 266 . 1 1 27 27 ALA HA H 1 3.67 0.05 . 1 . . 1 . 27 ALA HA . 15800 1 267 . 1 1 27 27 ALA HB1 H 1 0.87 0.05 . 1 . . 1 . 27 ALA HB . 15800 1 268 . 1 1 27 27 ALA HB2 H 1 0.87 0.05 . 1 . . 1 . 27 ALA HB . 15800 1 269 . 1 1 27 27 ALA HB3 H 1 0.87 0.05 . 1 . . 1 . 27 ALA HB . 15800 1 270 . 1 1 27 27 ALA CA C 13 53.77 0.5 . 1 . . 1 . 27 ALA CA . 15800 1 271 . 1 1 27 27 ALA CB C 13 18.63 0.5 . 1 . . 1 . 27 ALA CB . 15800 1 272 . 1 1 27 27 ALA N N 15 118.84 0.4 . 1 . . 1 . 27 ALA N . 15800 1 273 . 1 1 28 28 LYS H H 1 9.56 0.05 . 1 . . 1 . 28 LYS H . 15800 1 274 . 1 1 28 28 LYS HA H 1 4.62 0.05 . 1 . . 1 . 28 LYS HA . 15800 1 275 . 1 1 28 28 LYS HB2 H 1 2.07 0.05 . 2 . . 1 . 28 LYS HB2 . 15800 1 276 . 1 1 28 28 LYS HB3 H 1 1.91 0.05 . 2 . . 1 . 28 LYS HB3 . 15800 1 277 . 1 1 28 28 LYS HD2 H 1 1.77 0.05 . 2 . . 1 . 28 LYS HD2 . 15800 1 278 . 1 1 28 28 LYS HD3 H 1 1.77 0.05 . 2 . . 1 . 28 LYS HD3 . 15800 1 279 . 1 1 28 28 LYS HE2 H 1 3.06 0.05 . 2 . . 1 . 28 LYS HE2 . 15800 1 280 . 1 1 28 28 LYS HE3 H 1 3.06 0.05 . 2 . . 1 . 28 LYS HE3 . 15800 1 281 . 1 1 28 28 LYS HG2 H 1 1.62 0.05 . 2 . . 1 . 28 LYS HG2 . 15800 1 282 . 1 1 28 28 LYS HG3 H 1 1.62 0.05 . 2 . . 1 . 28 LYS HG3 . 15800 1 283 . 1 1 28 28 LYS CA C 13 57.51 0.5 . 1 . . 1 . 28 LYS CA . 15800 1 284 . 1 1 28 28 LYS CB C 13 34.05 0.5 . 1 . . 1 . 28 LYS CB . 15800 1 285 . 1 1 28 28 LYS CD C 13 28.72 0.5 . 1 . . 1 . 28 LYS CD . 15800 1 286 . 1 1 28 28 LYS CE C 13 42.98 0.5 . 1 . . 1 . 28 LYS CE . 15800 1 287 . 1 1 28 28 LYS CG C 13 25.27 0.5 . 1 . . 1 . 28 LYS CG . 15800 1 288 . 1 1 28 28 LYS N N 15 118.77 0.4 . 1 . . 1 . 28 LYS N . 15800 1 289 . 1 1 29 29 SER H H 1 8.34 0.05 . 1 . . 1 . 29 SER H . 15800 1 290 . 1 1 29 29 SER HA H 1 5.26 0.05 . 1 . . 1 . 29 SER HA . 15800 1 291 . 1 1 29 29 SER HB2 H 1 3.85 0.05 . 2 . . 1 . 29 SER HB2 . 15800 1 292 . 1 1 29 29 SER HB3 H 1 3.85 0.05 . 2 . . 1 . 29 SER HB3 . 15800 1 293 . 1 1 29 29 SER CA C 13 58.01 0.5 . 1 . . 1 . 29 SER CA . 15800 1 294 . 1 1 29 29 SER CB C 13 64.66 0.5 . 1 . . 1 . 29 SER CB . 15800 1 295 . 1 1 29 29 SER N N 15 114.19 0.4 . 1 . . 1 . 29 SER N . 15800 1 296 . 1 1 30 30 PHE H H 1 8.16 0.05 . 1 . . 1 . 30 PHE H . 15800 1 297 . 1 1 30 30 PHE HA H 1 5.24 0.05 . 1 . . 1 . 30 PHE HA . 15800 1 298 . 1 1 30 30 PHE HB2 H 1 3.49 0.05 . 2 . . 1 . 30 PHE HB2 . 15800 1 299 . 1 1 30 30 PHE HB3 H 1 2.91 0.05 . 2 . . 1 . 30 PHE HB3 . 15800 1 300 . 1 1 30 30 PHE HD1 H 1 6.77 0.05 . 3 . . 1 . 30 PHE HD1 . 15800 1 301 . 1 1 30 30 PHE HD2 H 1 6.77 0.05 . 3 . . 1 . 30 PHE HD2 . 15800 1 302 . 1 1 30 30 PHE HE1 H 1 7.08 0.05 . 3 . . 1 . 30 PHE HE1 . 15800 1 303 . 1 1 30 30 PHE HE2 H 1 7.08 0.05 . 3 . . 1 . 30 PHE HE2 . 15800 1 304 . 1 1 30 30 PHE CA C 13 57.68 0.5 . 1 . . 1 . 30 PHE CA . 15800 1 305 . 1 1 30 30 PHE CB C 13 43.05 0.5 . 1 . . 1 . 30 PHE CB . 15800 1 306 . 1 1 30 30 PHE CD1 C 13 129.36 0.4 . 3 . . 1 . 30 PHE CD1 . 15800 1 307 . 1 1 30 30 PHE CD2 C 13 129.36 0.4 . 3 . . 1 . 30 PHE CD2 . 15800 1 308 . 1 1 30 30 PHE CE1 C 13 128.60 0.4 . 3 . . 1 . 30 PHE CE1 . 15800 1 309 . 1 1 30 30 PHE CE2 C 13 128.60 0.4 . 3 . . 1 . 30 PHE CE2 . 15800 1 310 . 1 1 30 30 PHE N N 15 118.74 0.4 . 1 . . 1 . 30 PHE N . 15800 1 311 . 1 1 31 31 VAL H H 1 8.90 0.05 . 1 . . 1 . 31 VAL H . 15800 1 312 . 1 1 31 31 VAL HA H 1 4.99 0.05 . 1 . . 1 . 31 VAL HA . 15800 1 313 . 1 1 31 31 VAL HB H 1 1.75 0.05 . 1 . . 1 . 31 VAL HB . 15800 1 314 . 1 1 31 31 VAL HG11 H 1 0.81 0.05 . 2 . . 1 . 31 VAL HG1 . 15800 1 315 . 1 1 31 31 VAL HG12 H 1 0.81 0.05 . 2 . . 1 . 31 VAL HG1 . 15800 1 316 . 1 1 31 31 VAL HG13 H 1 0.81 0.05 . 2 . . 1 . 31 VAL HG1 . 15800 1 317 . 1 1 31 31 VAL HG21 H 1 0.75 0.05 . 2 . . 1 . 31 VAL HG2 . 15800 1 318 . 1 1 31 31 VAL HG22 H 1 0.75 0.05 . 2 . . 1 . 31 VAL HG2 . 15800 1 319 . 1 1 31 31 VAL HG23 H 1 0.75 0.05 . 2 . . 1 . 31 VAL HG2 . 15800 1 320 . 1 1 31 31 VAL CA C 13 60.68 0.5 . 1 . . 1 . 31 VAL CA . 15800 1 321 . 1 1 31 31 VAL CB C 13 37.74 0.5 . 1 . . 1 . 31 VAL CB . 15800 1 322 . 1 1 31 31 VAL CG1 C 13 22.94 0.5 . 1 . . 1 . 31 VAL CG1 . 15800 1 323 . 1 1 31 31 VAL CG2 C 13 22.50 0.5 . 1 . . 1 . 31 VAL CG2 . 15800 1 324 . 1 1 31 31 VAL N N 15 120.41 0.4 . 1 . . 1 . 31 VAL N . 15800 1 325 . 1 1 32 32 LEU H H 1 8.78 0.05 . 1 . . 1 . 32 LEU H . 15800 1 326 . 1 1 32 32 LEU HA H 1 5.24 0.05 . 1 . . 1 . 32 LEU HA . 15800 1 327 . 1 1 32 32 LEU HB2 H 1 1.70 0.05 . 2 . . 1 . 32 LEU HB2 . 15800 1 328 . 1 1 32 32 LEU HB3 H 1 1.45 0.05 . 2 . . 1 . 32 LEU HB3 . 15800 1 329 . 1 1 32 32 LEU HD11 H 1 1.00 0.05 . 2 . . 1 . 32 LEU HD1 . 15800 1 330 . 1 1 32 32 LEU HD12 H 1 1.00 0.05 . 2 . . 1 . 32 LEU HD1 . 15800 1 331 . 1 1 32 32 LEU HD13 H 1 1.00 0.05 . 2 . . 1 . 32 LEU HD1 . 15800 1 332 . 1 1 32 32 LEU HD21 H 1 0.85 0.05 . 2 . . 1 . 32 LEU HD2 . 15800 1 333 . 1 1 32 32 LEU HD22 H 1 0.85 0.05 . 2 . . 1 . 32 LEU HD2 . 15800 1 334 . 1 1 32 32 LEU HD23 H 1 0.85 0.05 . 2 . . 1 . 32 LEU HD2 . 15800 1 335 . 1 1 32 32 LEU CA C 13 54.54 0.5 . 1 . . 1 . 32 LEU CA . 15800 1 336 . 1 1 32 32 LEU CB C 13 45.93 0.5 . 1 . . 1 . 32 LEU CB . 15800 1 337 . 1 1 32 32 LEU CD1 C 13 24.82 0.5 . 1 . . 1 . 32 LEU CD1 . 15800 1 338 . 1 1 32 32 LEU CD2 C 13 24.44 0.5 . 1 . . 1 . 32 LEU CD2 . 15800 1 339 . 1 1 32 32 LEU N N 15 123.81 0.4 . 1 . . 1 . 32 LEU N . 15800 1 340 . 1 1 33 33 ASN H H 1 9.59 0.05 . 1 . . 1 . 33 ASN H . 15800 1 341 . 1 1 33 33 ASN HA H 1 6.14 0.05 . 1 . . 1 . 33 ASN HA . 15800 1 342 . 1 1 33 33 ASN HB2 H 1 2.92 0.05 . 2 . . 1 . 33 ASN HB2 . 15800 1 343 . 1 1 33 33 ASN HB3 H 1 2.78 0.05 . 2 . . 1 . 33 ASN HB3 . 15800 1 344 . 1 1 33 33 ASN CA C 13 51.55 0.5 . 1 . . 1 . 33 ASN CA . 15800 1 345 . 1 1 33 33 ASN CB C 13 41.76 0.5 . 1 . . 1 . 33 ASN CB . 15800 1 346 . 1 1 33 33 ASN N N 15 123.60 0.4 . 1 . . 1 . 33 ASN N . 15800 1 347 . 1 1 34 34 LEU H H 1 9.58 0.05 . 1 . . 1 . 34 LEU H . 15800 1 348 . 1 1 34 34 LEU HA H 1 5.71 0.05 . 1 . . 1 . 34 LEU HA . 15800 1 349 . 1 1 34 34 LEU HB2 H 1 1.69 0.05 . 2 . . 1 . 34 LEU HB2 . 15800 1 350 . 1 1 34 34 LEU HB3 H 1 1.52 0.05 . 2 . . 1 . 34 LEU HB3 . 15800 1 351 . 1 1 34 34 LEU HD11 H 1 0.81 0.05 . 2 . . 1 . 34 LEU HD1 . 15800 1 352 . 1 1 34 34 LEU HD12 H 1 0.81 0.05 . 2 . . 1 . 34 LEU HD1 . 15800 1 353 . 1 1 34 34 LEU HD13 H 1 0.81 0.05 . 2 . . 1 . 34 LEU HD1 . 15800 1 354 . 1 1 34 34 LEU HD21 H 1 0.89 0.05 . 2 . . 1 . 34 LEU HD2 . 15800 1 355 . 1 1 34 34 LEU HD22 H 1 0.89 0.05 . 2 . . 1 . 34 LEU HD2 . 15800 1 356 . 1 1 34 34 LEU HD23 H 1 0.89 0.05 . 2 . . 1 . 34 LEU HD2 . 15800 1 357 . 1 1 34 34 LEU HG H 1 1.48 0.05 . 1 . . 1 . 34 LEU HG . 15800 1 358 . 1 1 34 34 LEU CA C 13 53.29 0.5 . 1 . . 1 . 34 LEU CA . 15800 1 359 . 1 1 34 34 LEU CB C 13 46.83 0.5 . 1 . . 1 . 34 LEU CB . 15800 1 360 . 1 1 34 34 LEU CD1 C 13 26.24 0.5 . 1 . . 1 . 34 LEU CD1 . 15800 1 361 . 1 1 34 34 LEU CD2 C 13 25.96 0.5 . 1 . . 1 . 34 LEU CD2 . 15800 1 362 . 1 1 34 34 LEU N N 15 120.37 0.4 . 1 . . 1 . 34 LEU N . 15800 1 363 . 1 1 35 35 GLY H H 1 9.11 0.05 . 1 . . 1 . 35 GLY H . 15800 1 364 . 1 1 35 35 GLY HA2 H 1 5.06 0.05 . 2 . . 1 . 35 GLY HA2 . 15800 1 365 . 1 1 35 35 GLY HA3 H 1 4.28 0.05 . 2 . . 1 . 35 GLY HA3 . 15800 1 366 . 1 1 35 35 GLY CA C 13 48.03 0.5 . 1 . . 1 . 35 GLY CA . 15800 1 367 . 1 1 35 35 GLY N N 15 107.93 0.4 . 1 . . 1 . 35 GLY N . 15800 1 368 . 1 1 36 36 LYS H H 1 9.00 0.05 . 1 . . 1 . 36 LYS H . 15800 1 369 . 1 1 36 36 LYS HA H 1 4.71 0.05 . 1 . . 1 . 36 LYS HA . 15800 1 370 . 1 1 36 36 LYS HB2 H 1 1.99 0.05 . 2 . . 1 . 36 LYS HB2 . 15800 1 371 . 1 1 36 36 LYS HB3 H 1 1.97 0.05 . 2 . . 1 . 36 LYS HB3 . 15800 1 372 . 1 1 36 36 LYS HD2 H 1 1.73 0.05 . 2 . . 1 . 36 LYS HD2 . 15800 1 373 . 1 1 36 36 LYS HD3 H 1 1.73 0.05 . 2 . . 1 . 36 LYS HD3 . 15800 1 374 . 1 1 36 36 LYS HG2 H 1 1.59 0.05 . 2 . . 1 . 36 LYS HG2 . 15800 1 375 . 1 1 36 36 LYS HG3 H 1 1.42 0.05 . 2 . . 1 . 36 LYS HG3 . 15800 1 376 . 1 1 36 36 LYS CA C 13 58.63 0.5 . 1 . . 1 . 36 LYS CA . 15800 1 377 . 1 1 36 36 LYS CB C 13 34.91 0.5 . 1 . . 1 . 36 LYS CB . 15800 1 378 . 1 1 36 36 LYS CD C 13 29.99 0.5 . 1 . . 1 . 36 LYS CD . 15800 1 379 . 1 1 36 36 LYS CG C 13 24.92 0.5 . 1 . . 1 . 36 LYS CG . 15800 1 380 . 1 1 36 36 LYS N N 15 128.56 0.4 . 1 . . 1 . 36 LYS N . 15800 1 381 . 1 1 37 37 ASP H H 1 7.89 0.05 . 1 . . 1 . 37 ASP H . 15800 1 382 . 1 1 37 37 ASP HA H 1 3.43 0.05 . 1 . . 1 . 37 ASP HA . 15800 1 383 . 1 1 37 37 ASP HB2 H 1 2.96 0.05 . 2 . . 1 . 37 ASP HB2 . 15800 1 384 . 1 1 37 37 ASP HB3 H 1 2.76 0.05 . 2 . . 1 . 37 ASP HB3 . 15800 1 385 . 1 1 37 37 ASP CA C 13 53.01 0.5 . 1 . . 1 . 37 ASP CA . 15800 1 386 . 1 1 37 37 ASP CB C 13 40.41 0.5 . 1 . . 1 . 37 ASP CB . 15800 1 387 . 1 1 37 37 ASP N N 15 114.27 0.4 . 1 . . 1 . 37 ASP N . 15800 1 388 . 1 1 38 38 SER H H 1 7.95 0.05 . 1 . . 1 . 38 SER H . 15800 1 389 . 1 1 38 38 SER HA H 1 3.43 0.05 . 1 . . 1 . 38 SER HA . 15800 1 390 . 1 1 38 38 SER HB2 H 1 3.83 0.05 . 2 . . 1 . 38 SER HB2 . 15800 1 391 . 1 1 38 38 SER HB3 H 1 3.63 0.05 . 2 . . 1 . 38 SER HB3 . 15800 1 392 . 1 1 38 38 SER CA C 13 61.57 0.5 . 1 . . 1 . 38 SER CA . 15800 1 393 . 1 1 38 38 SER CB C 13 62.98 0.5 . 1 . . 1 . 38 SER CB . 15800 1 394 . 1 1 38 38 SER N N 15 109.93 0.4 . 1 . . 1 . 38 SER N . 15800 1 395 . 1 1 39 39 ASN H H 1 7.86 0.05 . 1 . . 1 . 39 ASN H . 15800 1 396 . 1 1 39 39 ASN HA H 1 4.55 0.05 . 1 . . 1 . 39 ASN HA . 15800 1 397 . 1 1 39 39 ASN HB2 H 1 2.39 0.05 . 2 . . 1 . 39 ASN HB2 . 15800 1 398 . 1 1 39 39 ASN HB3 H 1 2.39 0.05 . 2 . . 1 . 39 ASN HB3 . 15800 1 399 . 1 1 39 39 ASN HD21 H 1 7.52 0.05 . 2 . . 1 . 39 ASN HD21 . 15800 1 400 . 1 1 39 39 ASN HD22 H 1 6.78 0.05 . 2 . . 1 . 39 ASN HD22 . 15800 1 401 . 1 1 39 39 ASN CA C 13 52.95 0.5 . 1 . . 1 . 39 ASN CA . 15800 1 402 . 1 1 39 39 ASN CB C 13 41.29 0.5 . 1 . . 1 . 39 ASN CB . 15800 1 403 . 1 1 39 39 ASN N N 15 117.70 0.4 . 1 . . 1 . 39 ASN N . 15800 1 404 . 1 1 39 39 ASN ND2 N 15 113.97 0.4 . 1 . . 1 . 39 ASN ND2 . 15800 1 405 . 1 1 40 40 ASN H H 1 7.45 0.05 . 1 . . 1 . 40 ASN H . 15800 1 406 . 1 1 40 40 ASN HA H 1 5.47 0.05 . 1 . . 1 . 40 ASN HA . 15800 1 407 . 1 1 40 40 ASN HB2 H 1 2.55 0.05 . 2 . . 1 . 40 ASN HB2 . 15800 1 408 . 1 1 40 40 ASN HB3 H 1 2.16 0.05 . 2 . . 1 . 40 ASN HB3 . 15800 1 409 . 1 1 40 40 ASN HD21 H 1 9.34 0.05 . 2 . . 1 . 40 ASN HD21 . 15800 1 410 . 1 1 40 40 ASN HD22 H 1 7.22 0.05 . 2 . . 1 . 40 ASN HD22 . 15800 1 411 . 1 1 40 40 ASN CA C 13 53.01 0.5 . 1 . . 1 . 40 ASN CA . 15800 1 412 . 1 1 40 40 ASN CB C 13 41.86 0.5 . 1 . . 1 . 40 ASN CB . 15800 1 413 . 1 1 40 40 ASN N N 15 122.78 0.4 . 1 . . 1 . 40 ASN N . 15800 1 414 . 1 1 40 40 ASN ND2 N 15 123.12 0.4 . 1 . . 1 . 40 ASN ND2 . 15800 1 415 . 1 1 41 41 LEU H H 1 9.65 0.05 . 1 . . 1 . 41 LEU H . 15800 1 416 . 1 1 41 41 LEU HA H 1 5.01 0.05 . 1 . . 1 . 41 LEU HA . 15800 1 417 . 1 1 41 41 LEU HD11 H 1 0.87 0.05 . 2 . . 1 . 41 LEU HD1 . 15800 1 418 . 1 1 41 41 LEU HD12 H 1 0.87 0.05 . 2 . . 1 . 41 LEU HD1 . 15800 1 419 . 1 1 41 41 LEU HD13 H 1 0.87 0.05 . 2 . . 1 . 41 LEU HD1 . 15800 1 420 . 1 1 41 41 LEU HD21 H 1 0.87 0.05 . 2 . . 1 . 41 LEU HD2 . 15800 1 421 . 1 1 41 41 LEU HD22 H 1 0.87 0.05 . 2 . . 1 . 41 LEU HD2 . 15800 1 422 . 1 1 41 41 LEU HD23 H 1 0.87 0.05 . 2 . . 1 . 41 LEU HD2 . 15800 1 423 . 1 1 41 41 LEU CA C 13 53.63 0.5 . 1 . . 1 . 41 LEU CA . 15800 1 424 . 1 1 41 41 LEU CB C 13 43.01 0.5 . 1 . . 1 . 41 LEU CB . 15800 1 425 . 1 1 41 41 LEU N N 15 122.79 0.4 . 1 . . 1 . 41 LEU N . 15800 1 426 . 1 1 42 42 CYS H H 1 8.81 0.05 . 1 . . 1 . 42 CYS H . 15800 1 427 . 1 1 42 42 CYS HA H 1 4.96 0.05 . 1 . . 1 . 42 CYS HA . 15800 1 428 . 1 1 42 42 CYS HB2 H 1 3.35 0.05 . 2 . . 1 . 42 CYS HB2 . 15800 1 429 . 1 1 42 42 CYS HB3 H 1 2.83 0.05 . 2 . . 1 . 42 CYS HB3 . 15800 1 430 . 1 1 42 42 CYS CA C 13 56.60 0.5 . 1 . . 1 . 42 CYS CA . 15800 1 431 . 1 1 42 42 CYS CB C 13 29.32 0.5 . 1 . . 1 . 42 CYS CB . 15800 1 432 . 1 1 42 42 CYS N N 15 118.68 0.4 . 1 . . 1 . 42 CYS N . 15800 1 433 . 1 1 43 43 LEU H H 1 8.17 0.05 . 1 . . 1 . 43 LEU H . 15800 1 434 . 1 1 43 43 LEU HA H 1 4.73 0.05 . 1 . . 1 . 43 LEU HA . 15800 1 435 . 1 1 43 43 LEU HB2 H 1 1.74 0.05 . 2 . . 1 . 43 LEU HB2 . 15800 1 436 . 1 1 43 43 LEU HB3 H 1 1.60 0.05 . 2 . . 1 . 43 LEU HB3 . 15800 1 437 . 1 1 43 43 LEU HD11 H 1 0.72 0.05 . 2 . . 1 . 43 LEU HD1 . 15800 1 438 . 1 1 43 43 LEU HD12 H 1 0.72 0.05 . 2 . . 1 . 43 LEU HD1 . 15800 1 439 . 1 1 43 43 LEU HD13 H 1 0.72 0.05 . 2 . . 1 . 43 LEU HD1 . 15800 1 440 . 1 1 43 43 LEU HG H 1 1.49 0.05 . 1 . . 1 . 43 LEU HG . 15800 1 441 . 1 1 43 43 LEU CA C 13 56.87 0.5 . 1 . . 1 . 43 LEU CA . 15800 1 442 . 1 1 43 43 LEU CB C 13 46.24 0.5 . 1 . . 1 . 43 LEU CB . 15800 1 443 . 1 1 43 43 LEU CD1 C 13 27.17 0.5 . 1 . . 1 . 43 LEU CD1 . 15800 1 444 . 1 1 43 43 LEU N N 15 120.45 0.4 . 1 . . 1 . 43 LEU N . 15800 1 445 . 1 1 44 44 HIS H H 1 9.16 0.05 . 1 . . 1 . 44 HIS H . 15800 1 446 . 1 1 44 44 HIS HA H 1 5.70 0.05 . 1 . . 1 . 44 HIS HA . 15800 1 447 . 1 1 44 44 HIS HB2 H 1 3.14 0.05 . 2 . . 1 . 44 HIS HB2 . 15800 1 448 . 1 1 44 44 HIS HB3 H 1 2.91 0.05 . 2 . . 1 . 44 HIS HB3 . 15800 1 449 . 1 1 44 44 HIS CA C 13 55.29 0.5 . 1 . . 1 . 44 HIS CA . 15800 1 450 . 1 1 44 44 HIS CB C 13 29.25 0.5 . 1 . . 1 . 44 HIS CB . 15800 1 451 . 1 1 44 44 HIS N N 15 129.65 0.4 . 1 . . 1 . 44 HIS N . 15800 1 452 . 1 1 45 45 PHE H H 1 9.05 0.05 . 1 . . 1 . 45 PHE H . 15800 1 453 . 1 1 45 45 PHE HA H 1 4.80 0.05 . 1 . . 1 . 45 PHE HA . 15800 1 454 . 1 1 45 45 PHE HB2 H 1 3.49 0.05 . 2 . . 1 . 45 PHE HB2 . 15800 1 455 . 1 1 45 45 PHE HB3 H 1 2.63 0.05 . 2 . . 1 . 45 PHE HB3 . 15800 1 456 . 1 1 45 45 PHE HD1 H 1 7.03 0.05 . 3 . . 1 . 45 PHE HD1 . 15800 1 457 . 1 1 45 45 PHE HD2 H 1 7.03 0.05 . 3 . . 1 . 45 PHE HD2 . 15800 1 458 . 1 1 45 45 PHE CA C 13 56.42 0.5 . 1 . . 1 . 45 PHE CA . 15800 1 459 . 1 1 45 45 PHE CB C 13 40.53 0.5 . 1 . . 1 . 45 PHE CB . 15800 1 460 . 1 1 45 45 PHE N N 15 127.87 0.4 . 1 . . 1 . 45 PHE N . 15800 1 461 . 1 1 46 46 ASN H H 1 8.43 0.05 . 1 . . 1 . 46 ASN H . 15800 1 462 . 1 1 46 46 ASN HA H 1 5.34 0.05 . 1 . . 1 . 46 ASN HA . 15800 1 463 . 1 1 46 46 ASN HB2 H 1 2.73 0.05 . 2 . . 1 . 46 ASN HB2 . 15800 1 464 . 1 1 46 46 ASN HB3 H 1 1.56 0.05 . 2 . . 1 . 46 ASN HB3 . 15800 1 465 . 1 1 46 46 ASN HD21 H 1 7.08 0.05 . 2 . . 1 . 46 ASN HD21 . 15800 1 466 . 1 1 46 46 ASN HD22 H 1 6.66 0.05 . 2 . . 1 . 46 ASN HD22 . 15800 1 467 . 1 1 46 46 ASN CA C 13 49.44 0.5 . 1 . . 1 . 46 ASN CA . 15800 1 468 . 1 1 46 46 ASN CB C 13 41.15 0.5 . 1 . . 1 . 46 ASN CB . 15800 1 469 . 1 1 46 46 ASN N N 15 123.03 0.4 . 1 . . 1 . 46 ASN N . 15800 1 470 . 1 1 46 46 ASN ND2 N 15 113.30 0.4 . 1 . . 1 . 46 ASN ND2 . 15800 1 471 . 1 1 47 47 PRO HA H 1 3.89 0.05 . 1 . . 1 . 47 PRO HA . 15800 1 472 . 1 1 47 47 PRO HB2 H 1 1.07 0.05 . 2 . . 1 . 47 PRO HB2 . 15800 1 473 . 1 1 47 47 PRO HB3 H 1 0.71 0.05 . 2 . . 1 . 47 PRO HB3 . 15800 1 474 . 1 1 47 47 PRO HD2 H 1 2.14 0.05 . 2 . . 1 . 47 PRO HD2 . 15800 1 475 . 1 1 47 47 PRO HD3 H 1 1.72 0.05 . 2 . . 1 . 47 PRO HD3 . 15800 1 476 . 1 1 47 47 PRO HG2 H 1 0.22 0.05 . 2 . . 1 . 47 PRO HG2 . 15800 1 477 . 1 1 47 47 PRO HG3 H 1 0.01 0.05 . 2 . . 1 . 47 PRO HG3 . 15800 1 478 . 1 1 47 47 PRO CA C 13 63.46 0.5 . 1 . . 1 . 47 PRO CA . 15800 1 479 . 1 1 47 47 PRO CB C 13 31.10 0.5 . 1 . . 1 . 47 PRO CB . 15800 1 480 . 1 1 47 47 PRO CD C 13 49.37 0.5 . 1 . . 1 . 47 PRO CD . 15800 1 481 . 1 1 47 47 PRO CG C 13 29.22 0.5 . 1 . . 1 . 47 PRO CG . 15800 1 482 . 1 1 48 48 ARG H H 1 8.70 0.05 . 1 . . 1 . 48 ARG H . 15800 1 483 . 1 1 48 48 ARG HA H 1 4.38 0.05 . 1 . . 1 . 48 ARG HA . 15800 1 484 . 1 1 48 48 ARG CA C 13 54.66 0.5 . 1 . . 1 . 48 ARG CA . 15800 1 485 . 1 1 48 48 ARG CB C 13 31.8 0.5 . 1 . . 1 . 48 ARG CB . 15800 1 486 . 1 1 48 48 ARG N N 15 126.03 0.4 . 1 . . 1 . 48 ARG N . 15800 1 487 . 1 1 49 49 PHE H H 1 8.06 0.05 . 1 . . 1 . 49 PHE H . 15800 1 488 . 1 1 49 49 PHE HA H 1 4.04 0.05 . 1 . . 1 . 49 PHE HA . 15800 1 489 . 1 1 49 49 PHE HB2 H 1 3.10 0.05 . 2 . . 1 . 49 PHE HB2 . 15800 1 490 . 1 1 49 49 PHE HB3 H 1 2.98 0.05 . 2 . . 1 . 49 PHE HB3 . 15800 1 491 . 1 1 49 49 PHE HD1 H 1 7.15 0.05 . 3 . . 1 . 49 PHE HD1 . 15800 1 492 . 1 1 49 49 PHE HD2 H 1 7.15 0.05 . 3 . . 1 . 49 PHE HD2 . 15800 1 493 . 1 1 49 49 PHE HE1 H 1 7.36 0.05 . 3 . . 1 . 49 PHE HE1 . 15800 1 494 . 1 1 49 49 PHE HE2 H 1 7.36 0.05 . 3 . . 1 . 49 PHE HE2 . 15800 1 495 . 1 1 49 49 PHE CA C 13 60.00 0.5 . 1 . . 1 . 49 PHE CA . 15800 1 496 . 1 1 49 49 PHE CB C 13 38.70 0.5 . 1 . . 1 . 49 PHE CB . 15800 1 497 . 1 1 49 49 PHE N N 15 123.45 0.4 . 1 . . 1 . 49 PHE N . 15800 1 498 . 1 1 50 50 ASN H H 1 8.08 0.05 . 1 . . 1 . 50 ASN H . 15800 1 499 . 1 1 50 50 ASN HA H 1 4.94 0.05 . 1 . . 1 . 50 ASN HA . 15800 1 500 . 1 1 50 50 ASN HB2 H 1 2.78 0.05 . 2 . . 1 . 50 ASN HB2 . 15800 1 501 . 1 1 50 50 ASN HB3 H 1 2.78 0.05 . 2 . . 1 . 50 ASN HB3 . 15800 1 502 . 1 1 50 50 ASN HD21 H 1 7.51 0.05 . 2 . . 1 . 50 ASN HD21 . 15800 1 503 . 1 1 50 50 ASN HD22 H 1 6.71 0.05 . 2 . . 1 . 50 ASN HD22 . 15800 1 504 . 1 1 50 50 ASN CA C 13 53.75 0.5 . 1 . . 1 . 50 ASN CA . 15800 1 505 . 1 1 50 50 ASN CB C 13 39.37 0.5 . 1 . . 1 . 50 ASN CB . 15800 1 506 . 1 1 50 50 ASN N N 15 116.27 0.4 . 1 . . 1 . 50 ASN N . 15800 1 507 . 1 1 50 50 ASN ND2 N 15 111.50 0.4 . 1 . . 1 . 50 ASN ND2 . 15800 1 508 . 1 1 51 51 ALA H H 1 8.39 0.05 . 1 . . 1 . 51 ALA H . 15800 1 509 . 1 1 51 51 ALA HA H 1 4.39 0.05 . 1 . . 1 . 51 ALA HA . 15800 1 510 . 1 1 51 51 ALA HB1 H 1 1.17 0.05 . 1 . . 1 . 51 ALA HB . 15800 1 511 . 1 1 51 51 ALA HB2 H 1 1.17 0.05 . 1 . . 1 . 51 ALA HB . 15800 1 512 . 1 1 51 51 ALA HB3 H 1 1.17 0.05 . 1 . . 1 . 51 ALA HB . 15800 1 513 . 1 1 51 51 ALA CA C 13 52.87 0.5 . 1 . . 1 . 51 ALA CA . 15800 1 514 . 1 1 51 51 ALA CB C 13 19.88 0.5 . 1 . . 1 . 51 ALA CB . 15800 1 515 . 1 1 51 51 ALA N N 15 124.37 0.4 . 1 . . 1 . 51 ALA N . 15800 1 516 . 1 1 52 52 HIS H H 1 8.90 0.05 . 1 . . 1 . 52 HIS H . 15800 1 517 . 1 1 52 52 HIS HA H 1 4.73 0.05 . 1 . . 1 . 52 HIS HA . 15800 1 518 . 1 1 52 52 HIS HB2 H 1 3.28 0.05 . 2 . . 1 . 52 HIS HB2 . 15800 1 519 . 1 1 52 52 HIS HB3 H 1 3.28 0.05 . 2 . . 1 . 52 HIS HB3 . 15800 1 520 . 1 1 52 52 HIS CA C 13 56.76 0.5 . 1 . . 1 . 52 HIS CA . 15800 1 521 . 1 1 52 52 HIS CB C 13 26.13 0.5 . 1 . . 1 . 52 HIS CB . 15800 1 522 . 1 1 52 52 HIS N N 15 116.76 0.4 . 1 . . 1 . 52 HIS N . 15800 1 523 . 1 1 53 53 GLY H H 1 8.54 0.05 . 1 . . 1 . 53 GLY H . 15800 1 524 . 1 1 53 53 GLY HA2 H 1 4.17 0.05 . 2 . . 1 . 53 GLY HA2 . 15800 1 525 . 1 1 53 53 GLY HA3 H 1 3.56 0.05 . 2 . . 1 . 53 GLY HA3 . 15800 1 526 . 1 1 53 53 GLY CA C 13 45.50 0.5 . 1 . . 1 . 53 GLY CA . 15800 1 527 . 1 1 53 53 GLY N N 15 106.95 0.4 . 1 . . 1 . 53 GLY N . 15800 1 528 . 1 1 54 54 ASP H H 1 7.98 0.05 . 1 . . 1 . 54 ASP H . 15800 1 529 . 1 1 54 54 ASP HA H 1 4.78 0.05 . 1 . . 1 . 54 ASP HA . 15800 1 530 . 1 1 54 54 ASP HB2 H 1 2.55 0.05 . 2 . . 1 . 54 ASP HB2 . 15800 1 531 . 1 1 54 54 ASP HB3 H 1 2.19 0.05 . 2 . . 1 . 54 ASP HB3 . 15800 1 532 . 1 1 54 54 ASP CA C 13 54.06 0.5 . 1 . . 1 . 54 ASP CA . 15800 1 533 . 1 1 54 54 ASP CB C 13 44.38 0.5 . 1 . . 1 . 54 ASP CB . 15800 1 534 . 1 1 54 54 ASP N N 15 120.37 0.4 . 1 . . 1 . 54 ASP N . 15800 1 535 . 1 1 55 55 ALA H H 1 8.11 0.05 . 1 . . 1 . 55 ALA H . 15800 1 536 . 1 1 55 55 ALA HA H 1 4.54 0.05 . 1 . . 1 . 55 ALA HA . 15800 1 537 . 1 1 55 55 ALA HB1 H 1 1.17 0.05 . 1 . . 1 . 55 ALA HB . 15800 1 538 . 1 1 55 55 ALA HB2 H 1 1.17 0.05 . 1 . . 1 . 55 ALA HB . 15800 1 539 . 1 1 55 55 ALA HB3 H 1 1.17 0.05 . 1 . . 1 . 55 ALA HB . 15800 1 540 . 1 1 55 55 ALA CA C 13 50.88 0.5 . 1 . . 1 . 55 ALA CA . 15800 1 541 . 1 1 55 55 ALA CB C 13 18.63 0.5 . 1 . . 1 . 55 ALA CB . 15800 1 542 . 1 1 55 55 ALA N N 15 122.03 0.4 . 1 . . 1 . 55 ALA N . 15800 1 543 . 1 1 56 56 ASN H H 1 8.10 0.05 . 1 . . 1 . 56 ASN H . 15800 1 544 . 1 1 56 56 ASN HA H 1 4.04 0.05 . 1 . . 1 . 56 ASN HA . 15800 1 545 . 1 1 56 56 ASN HB2 H 1 2.27 0.05 . 2 . . 1 . 56 ASN HB2 . 15800 1 546 . 1 1 56 56 ASN HB3 H 1 1.85 0.05 . 2 . . 1 . 56 ASN HB3 . 15800 1 547 . 1 1 56 56 ASN HD21 H 1 7.22 0.05 . 2 . . 1 . 56 ASN HD21 . 15800 1 548 . 1 1 56 56 ASN HD22 H 1 6.63 0.05 . 2 . . 1 . 56 ASN HD22 . 15800 1 549 . 1 1 56 56 ASN CA C 13 53.01 0.5 . 1 . . 1 . 56 ASN CA . 15800 1 550 . 1 1 56 56 ASN CB C 13 36.76 0.5 . 1 . . 1 . 56 ASN CB . 15800 1 551 . 1 1 56 56 ASN N N 15 125.42 0.4 . 1 . . 1 . 56 ASN N . 15800 1 552 . 1 1 56 56 ASN ND2 N 15 110.90 0.4 . 1 . . 1 . 56 ASN ND2 . 15800 1 553 . 1 1 57 57 THR H H 1 7.64 0.05 . 1 . . 1 . 57 THR H . 15800 1 554 . 1 1 57 57 THR HA H 1 4.62 0.05 . 1 . . 1 . 57 THR HA . 15800 1 555 . 1 1 57 57 THR HB H 1 3.44 0.05 . 1 . . 1 . 57 THR HB . 15800 1 556 . 1 1 57 57 THR HG21 H 1 0.93 0.05 . 1 . . 1 . 57 THR HG2 . 15800 1 557 . 1 1 57 57 THR HG22 H 1 0.93 0.05 . 1 . . 1 . 57 THR HG2 . 15800 1 558 . 1 1 57 57 THR HG23 H 1 0.93 0.05 . 1 . . 1 . 57 THR HG2 . 15800 1 559 . 1 1 57 57 THR CA C 13 61.45 0.5 . 1 . . 1 . 57 THR CA . 15800 1 560 . 1 1 57 57 THR CB C 13 73.11 0.5 . 1 . . 1 . 57 THR CB . 15800 1 561 . 1 1 57 57 THR CG2 C 13 20.04 0.5 . 1 . . 1 . 57 THR CG2 . 15800 1 562 . 1 1 57 57 THR N N 15 112.33 0.4 . 1 . . 1 . 57 THR N . 15800 1 563 . 1 1 58 58 ILE H H 1 9.12 0.05 . 1 . . 1 . 58 ILE H . 15800 1 564 . 1 1 58 58 ILE HA H 1 3.94 0.05 . 1 . . 1 . 58 ILE HA . 15800 1 565 . 1 1 58 58 ILE HD11 H 1 0.99 0.05 . 1 . . 1 . 58 ILE HD1 . 15800 1 566 . 1 1 58 58 ILE HD12 H 1 0.99 0.05 . 1 . . 1 . 58 ILE HD1 . 15800 1 567 . 1 1 58 58 ILE HD13 H 1 0.99 0.05 . 1 . . 1 . 58 ILE HD1 . 15800 1 568 . 1 1 58 58 ILE CA C 13 61.81 0.5 . 1 . . 1 . 58 ILE CA . 15800 1 569 . 1 1 58 58 ILE CB C 13 38.63 0.5 . 1 . . 1 . 58 ILE CB . 15800 1 570 . 1 1 58 58 ILE CD1 C 13 15.94 0.5 . 1 . . 1 . 58 ILE CD1 . 15800 1 571 . 1 1 58 58 ILE N N 15 126.73 0.4 . 1 . . 1 . 58 ILE N . 15800 1 572 . 1 1 59 59 VAL H H 1 7.34 0.05 . 1 . . 1 . 59 VAL H . 15800 1 573 . 1 1 59 59 VAL HA H 1 4.36 0.05 . 1 . . 1 . 59 VAL HA . 15800 1 574 . 1 1 59 59 VAL HB H 1 1.81 0.05 . 1 . . 1 . 59 VAL HB . 15800 1 575 . 1 1 59 59 VAL HG11 H 1 0.66 0.05 . 2 . . 1 . 59 VAL HG1 . 15800 1 576 . 1 1 59 59 VAL HG12 H 1 0.66 0.05 . 2 . . 1 . 59 VAL HG1 . 15800 1 577 . 1 1 59 59 VAL HG13 H 1 0.66 0.05 . 2 . . 1 . 59 VAL HG1 . 15800 1 578 . 1 1 59 59 VAL HG21 H 1 0.74 0.05 . 2 . . 1 . 59 VAL HG2 . 15800 1 579 . 1 1 59 59 VAL HG22 H 1 0.74 0.05 . 2 . . 1 . 59 VAL HG2 . 15800 1 580 . 1 1 59 59 VAL HG23 H 1 0.74 0.05 . 2 . . 1 . 59 VAL HG2 . 15800 1 581 . 1 1 59 59 VAL CA C 13 62.04 0.5 . 1 . . 1 . 59 VAL CA . 15800 1 582 . 1 1 59 59 VAL CB C 13 33.80 0.5 . 1 . . 1 . 59 VAL CB . 15800 1 583 . 1 1 59 59 VAL CG1 C 13 21.62 0.5 . 1 . . 1 . 59 VAL CG1 . 15800 1 584 . 1 1 59 59 VAL CG2 C 13 21.58 0.5 . 1 . . 1 . 59 VAL CG2 . 15800 1 585 . 1 1 59 59 VAL N N 15 128.98 0.4 . 1 . . 1 . 59 VAL N . 15800 1 586 . 1 1 60 60 CYS H H 1 8.92 0.05 . 1 . . 1 . 60 CYS H . 15800 1 587 . 1 1 60 60 CYS HA H 1 5.93 0.05 . 1 . . 1 . 60 CYS HA . 15800 1 588 . 1 1 60 60 CYS HB2 H 1 2.70 0.05 . 2 . . 1 . 60 CYS HB2 . 15800 1 589 . 1 1 60 60 CYS HB3 H 1 2.70 0.05 . 2 . . 1 . 60 CYS HB3 . 15800 1 590 . 1 1 60 60 CYS CA C 13 56.24 0.5 . 1 . . 1 . 60 CYS CA . 15800 1 591 . 1 1 60 60 CYS CB C 13 30.50 0.5 . 1 . . 1 . 60 CYS CB . 15800 1 592 . 1 1 60 60 CYS N N 15 122.81 0.4 . 1 . . 1 . 60 CYS N . 15800 1 593 . 1 1 61 61 ASN H H 1 8.86 0.05 . 1 . . 1 . 61 ASN H . 15800 1 594 . 1 1 61 61 ASN HA H 1 5.25 0.05 . 1 . . 1 . 61 ASN HA . 15800 1 595 . 1 1 61 61 ASN HB2 H 1 2.88 0.05 . 2 . . 1 . 61 ASN HB2 . 15800 1 596 . 1 1 61 61 ASN HB3 H 1 2.88 0.05 . 2 . . 1 . 61 ASN HB3 . 15800 1 597 . 1 1 61 61 ASN HD21 H 1 8.07 0.05 . 2 . . 1 . 61 ASN HD21 . 15800 1 598 . 1 1 61 61 ASN HD22 H 1 7.33 0.05 . 2 . . 1 . 61 ASN HD22 . 15800 1 599 . 1 1 61 61 ASN CA C 13 51.28 0.5 . 1 . . 1 . 61 ASN CA . 15800 1 600 . 1 1 61 61 ASN CB C 13 43.36 0.5 . 1 . . 1 . 61 ASN CB . 15800 1 601 . 1 1 61 61 ASN N N 15 118.34 0.4 . 1 . . 1 . 61 ASN N . 15800 1 602 . 1 1 61 61 ASN ND2 N 15 110.03 0.4 . 1 . . 1 . 61 ASN ND2 . 15800 1 603 . 1 1 62 62 SER H H 1 10.18 0.05 . 1 . . 1 . 62 SER H . 15800 1 604 . 1 1 62 62 SER HA H 1 4.78 0.05 . 1 . . 1 . 62 SER HA . 15800 1 605 . 1 1 62 62 SER HB2 H 1 4.22 0.05 . 2 . . 1 . 62 SER HB2 . 15800 1 606 . 1 1 62 62 SER HB3 H 1 4.22 0.05 . 2 . . 1 . 62 SER HB3 . 15800 1 607 . 1 1 62 62 SER CA C 13 56.89 0.5 . 1 . . 1 . 62 SER CA . 15800 1 608 . 1 1 62 62 SER CB C 13 66.96 0.5 . 1 . . 1 . 62 SER CB . 15800 1 609 . 1 1 62 62 SER N N 15 115.11 0.4 . 1 . . 1 . 62 SER N . 15800 1 610 . 1 1 63 63 LYS H H 1 8.90 0.05 . 1 . . 1 . 63 LYS H . 15800 1 611 . 1 1 63 63 LYS HA H 1 4.63 0.05 . 1 . . 1 . 63 LYS HA . 15800 1 612 . 1 1 63 63 LYS HB2 H 1 1.03 0.05 . 2 . . 1 . 63 LYS HB2 . 15800 1 613 . 1 1 63 63 LYS HB3 H 1 0.78 0.05 . 2 . . 1 . 63 LYS HB3 . 15800 1 614 . 1 1 63 63 LYS HD2 H 1 0.78 0.05 . 2 . . 1 . 63 LYS HD2 . 15800 1 615 . 1 1 63 63 LYS HD3 H 1 0.42 0.05 . 2 . . 1 . 63 LYS HD3 . 15800 1 616 . 1 1 63 63 LYS HE2 H 1 1.65 0.05 . 2 . . 1 . 63 LYS HE2 . 15800 1 617 . 1 1 63 63 LYS HE3 H 1 1.33 0.05 . 2 . . 1 . 63 LYS HE3 . 15800 1 618 . 1 1 63 63 LYS HG2 H 1 0.44 0.05 . 2 . . 1 . 63 LYS HG2 . 15800 1 619 . 1 1 63 63 LYS HG3 H 1 -0.28 0.05 . 2 . . 1 . 63 LYS HG3 . 15800 1 620 . 1 1 63 63 LYS CA C 13 56.13 0.5 . 1 . . 1 . 63 LYS CA . 15800 1 621 . 1 1 63 63 LYS CB C 13 37.49 0.5 . 1 . . 1 . 63 LYS CB . 15800 1 622 . 1 1 63 63 LYS CD C 13 29.36 0.5 . 1 . . 1 . 63 LYS CD . 15800 1 623 . 1 1 63 63 LYS CE C 13 41.34 0.5 . 1 . . 1 . 63 LYS CE . 15800 1 624 . 1 1 63 63 LYS CG C 13 25.36 0.5 . 1 . . 1 . 63 LYS CG . 15800 1 625 . 1 1 63 63 LYS N N 15 121.60 0.4 . 1 . . 1 . 63 LYS N . 15800 1 626 . 1 1 64 64 ASP H H 1 8.53 0.05 . 1 . . 1 . 64 ASP H . 15800 1 627 . 1 1 64 64 ASP HA H 1 5.00 0.05 . 1 . . 1 . 64 ASP HA . 15800 1 628 . 1 1 64 64 ASP HB2 H 1 2.44 0.05 . 2 . . 1 . 64 ASP HB2 . 15800 1 629 . 1 1 64 64 ASP HB3 H 1 2.44 0.05 . 2 . . 1 . 64 ASP HB3 . 15800 1 630 . 1 1 64 64 ASP CA C 13 52.61 0.5 . 1 . . 1 . 64 ASP CA . 15800 1 631 . 1 1 64 64 ASP CB C 13 42.99 0.5 . 1 . . 1 . 64 ASP CB . 15800 1 632 . 1 1 64 64 ASP N N 15 126.02 0.4 . 1 . . 1 . 64 ASP N . 15800 1 633 . 1 1 65 65 GLY H H 1 8.70 0.05 . 1 . . 1 . 65 GLY H . 15800 1 634 . 1 1 65 65 GLY HA2 H 1 3.78 0.05 . 2 . . 1 . 65 GLY HA2 . 15800 1 635 . 1 1 65 65 GLY HA3 H 1 3.72 0.05 . 2 . . 1 . 65 GLY HA3 . 15800 1 636 . 1 1 65 65 GLY CA C 13 47.67 0.5 . 1 . . 1 . 65 GLY CA . 15800 1 637 . 1 1 65 65 GLY N N 15 118.84 0.4 . 1 . . 1 . 65 GLY N . 15800 1 638 . 1 1 66 66 GLY H H 1 8.15 0.05 . 1 . . 1 . 66 GLY H . 15800 1 639 . 1 1 66 66 GLY HA2 H 1 4.23 0.05 . 2 . . 1 . 66 GLY HA2 . 15800 1 640 . 1 1 66 66 GLY HA3 H 1 3.13 0.05 . 2 . . 1 . 66 GLY HA3 . 15800 1 641 . 1 1 66 66 GLY CA C 13 44.73 0.5 . 1 . . 1 . 66 GLY CA . 15800 1 642 . 1 1 66 66 GLY N N 15 103.13 0.4 . 1 . . 1 . 66 GLY N . 15800 1 643 . 1 1 67 67 ALA H H 1 7.42 0.05 . 1 . . 1 . 67 ALA H . 15800 1 644 . 1 1 67 67 ALA HA H 1 4.61 0.05 . 1 . . 1 . 67 ALA HA . 15800 1 645 . 1 1 67 67 ALA HB1 H 1 1.38 0.05 . 1 . . 1 . 67 ALA HB . 15800 1 646 . 1 1 67 67 ALA HB2 H 1 1.38 0.05 . 1 . . 1 . 67 ALA HB . 15800 1 647 . 1 1 67 67 ALA HB3 H 1 1.38 0.05 . 1 . . 1 . 67 ALA HB . 15800 1 648 . 1 1 67 67 ALA CA C 13 50.70 0.5 . 1 . . 1 . 67 ALA CA . 15800 1 649 . 1 1 67 67 ALA CB C 13 20.36 0.5 . 1 . . 1 . 67 ALA CB . 15800 1 650 . 1 1 67 67 ALA N N 15 123.36 0.4 . 1 . . 1 . 67 ALA N . 15800 1 651 . 1 1 68 68 TRP H H 1 8.69 0.05 . 1 . . 1 . 68 TRP H . 15800 1 652 . 1 1 68 68 TRP HA H 1 4.96 0.05 . 1 . . 1 . 68 TRP HA . 15800 1 653 . 1 1 68 68 TRP HB2 H 1 3.44 0.05 . 2 . . 1 . 68 TRP HB2 . 15800 1 654 . 1 1 68 68 TRP HB3 H 1 3.15 0.05 . 2 . . 1 . 68 TRP HB3 . 15800 1 655 . 1 1 68 68 TRP HD1 H 1 7.40 0.05 . 1 . . 1 . 68 TRP HD1 . 15800 1 656 . 1 1 68 68 TRP HE1 H 1 10.09 0.05 . 1 . . 1 . 68 TRP HE1 . 15800 1 657 . 1 1 68 68 TRP HZ2 H 1 7.27 0.05 . 1 . . 1 . 68 TRP HZ2 . 15800 1 658 . 1 1 68 68 TRP CA C 13 57.79 0.5 . 1 . . 1 . 68 TRP CA . 15800 1 659 . 1 1 68 68 TRP CB C 13 31.14 0.5 . 1 . . 1 . 68 TRP CB . 15800 1 660 . 1 1 68 68 TRP CD1 C 13 128.45 0.5 . 1 . . 1 . 68 TRP CD1 . 15800 1 661 . 1 1 68 68 TRP CZ2 C 13 114.26 0.5 . 1 . . 1 . 68 TRP CZ2 . 15800 1 662 . 1 1 68 68 TRP N N 15 127.59 0.4 . 1 . . 1 . 68 TRP N . 15800 1 663 . 1 1 68 68 TRP NE1 N 15 128.90 0.4 . 1 . . 1 . 68 TRP NE1 . 15800 1 664 . 1 1 69 69 GLY H H 1 8.23 0.05 . 1 . . 1 . 69 GLY H . 15800 1 665 . 1 1 69 69 GLY HA2 H 1 4.55 0.05 . 2 . . 1 . 69 GLY HA2 . 15800 1 666 . 1 1 69 69 GLY HA3 H 1 3.64 0.05 . 2 . . 1 . 69 GLY HA3 . 15800 1 667 . 1 1 69 69 GLY CA C 13 44.96 0.5 . 1 . . 1 . 69 GLY CA . 15800 1 668 . 1 1 69 69 GLY N N 15 110.24 0.4 . 1 . . 1 . 69 GLY N . 15800 1 669 . 1 1 70 70 THR H H 1 8.29 0.05 . 1 . . 1 . 70 THR H . 15800 1 670 . 1 1 70 70 THR HA H 1 4.48 0.05 . 1 . . 1 . 70 THR HA . 15800 1 671 . 1 1 70 70 THR HB H 1 4.04 0.05 . 1 . . 1 . 70 THR HB . 15800 1 672 . 1 1 70 70 THR HG21 H 1 1.37 0.05 . 1 . . 1 . 70 THR HG2 . 15800 1 673 . 1 1 70 70 THR HG22 H 1 1.37 0.05 . 1 . . 1 . 70 THR HG2 . 15800 1 674 . 1 1 70 70 THR HG23 H 1 1.37 0.05 . 1 . . 1 . 70 THR HG2 . 15800 1 675 . 1 1 70 70 THR CA C 13 62.86 0.5 . 1 . . 1 . 70 THR CA . 15800 1 676 . 1 1 70 70 THR CB C 13 63.60 0.5 . 1 . . 1 . 70 THR CB . 15800 1 677 . 1 1 70 70 THR CG2 C 13 22.32 0.5 . 1 . . 1 . 70 THR CG2 . 15800 1 678 . 1 1 70 70 THR N N 15 118.66 0.4 . 1 . . 1 . 70 THR N . 15800 1 679 . 1 1 71 71 GLU H H 1 8.95 0.05 . 1 . . 1 . 71 GLU H . 15800 1 680 . 1 1 71 71 GLU HA H 1 4.46 0.05 . 1 . . 1 . 71 GLU HA . 15800 1 681 . 1 1 71 71 GLU HB2 H 1 2.07 0.05 . 2 . . 1 . 71 GLU HB2 . 15800 1 682 . 1 1 71 71 GLU HB3 H 1 1.77 0.05 . 2 . . 1 . 71 GLU HB3 . 15800 1 683 . 1 1 71 71 GLU HG2 H 1 2.32 0.05 . 2 . . 1 . 71 GLU HG2 . 15800 1 684 . 1 1 71 71 GLU HG3 H 1 2.09 0.05 . 2 . . 1 . 71 GLU HG3 . 15800 1 685 . 1 1 71 71 GLU CA C 13 58.01 0.5 . 1 . . 1 . 71 GLU CA . 15800 1 686 . 1 1 71 71 GLU CB C 13 31.12 0.5 . 1 . . 1 . 71 GLU CB . 15800 1 687 . 1 1 71 71 GLU CG C 13 37.24 0.5 . 1 . . 1 . 71 GLU CG . 15800 1 688 . 1 1 71 71 GLU N N 15 128.05 0.4 . 1 . . 1 . 71 GLU N . 15800 1 689 . 1 1 72 72 GLN H H 1 9.16 0.05 . 1 . . 1 . 72 GLN H . 15800 1 690 . 1 1 72 72 GLN HA H 1 4.77 0.05 . 1 . . 1 . 72 GLN HA . 15800 1 691 . 1 1 72 72 GLN HB2 H 1 2.25 0.05 . 2 . . 1 . 72 GLN HB2 . 15800 1 692 . 1 1 72 72 GLN HB3 H 1 2.15 0.05 . 2 . . 1 . 72 GLN HB3 . 15800 1 693 . 1 1 72 72 GLN HE21 H 1 8.11 0.05 . 2 . . 1 . 72 GLN HE21 . 15800 1 694 . 1 1 72 72 GLN HE22 H 1 7.36 0.05 . 2 . . 1 . 72 GLN HE22 . 15800 1 695 . 1 1 72 72 GLN HG2 H 1 2.48 0.05 . 2 . . 1 . 72 GLN HG2 . 15800 1 696 . 1 1 72 72 GLN HG3 H 1 2.32 0.05 . 2 . . 1 . 72 GLN HG3 . 15800 1 697 . 1 1 72 72 GLN CA C 13 55.51 0.5 . 1 . . 1 . 72 GLN CA . 15800 1 698 . 1 1 72 72 GLN CB C 13 33.58 0.5 . 1 . . 1 . 72 GLN CB . 15800 1 699 . 1 1 72 72 GLN CG C 13 34.66 0.5 . 1 . . 1 . 72 GLN CG . 15800 1 700 . 1 1 72 72 GLN N N 15 122.77 0.4 . 1 . . 1 . 72 GLN N . 15800 1 701 . 1 1 72 72 GLN NE2 N 15 112.40 0.4 . 1 . . 1 . 72 GLN NE2 . 15800 1 702 . 1 1 73 73 ARG H H 1 8.81 0.05 . 1 . . 1 . 73 ARG H . 15800 1 703 . 1 1 73 73 ARG HA H 1 5.24 0.05 . 1 . . 1 . 73 ARG HA . 15800 1 704 . 1 1 73 73 ARG HB2 H 1 1.66 0.05 . 2 . . 1 . 73 ARG HB2 . 15800 1 705 . 1 1 73 73 ARG HB3 H 1 1.59 0.05 . 2 . . 1 . 73 ARG HB3 . 15800 1 706 . 1 1 73 73 ARG HD2 H 1 3.16 0.05 . 2 . . 1 . 73 ARG HD2 . 15800 1 707 . 1 1 73 73 ARG HD3 H 1 3.16 0.05 . 2 . . 1 . 73 ARG HD3 . 15800 1 708 . 1 1 73 73 ARG HG2 H 1 1.36 0.05 . 2 . . 1 . 73 ARG HG2 . 15800 1 709 . 1 1 73 73 ARG HG3 H 1 1.36 0.05 . 2 . . 1 . 73 ARG HG3 . 15800 1 710 . 1 1 73 73 ARG CA C 13 54.99 0.5 . 1 . . 1 . 73 ARG CA . 15800 1 711 . 1 1 73 73 ARG CB C 13 32.96 0.5 . 1 . . 1 . 73 ARG CB . 15800 1 712 . 1 1 73 73 ARG CD C 13 43.17 0.5 . 1 . . 1 . 73 ARG CD . 15800 1 713 . 1 1 73 73 ARG CG C 13 29.50 0.5 . 1 . . 1 . 73 ARG CG . 15800 1 714 . 1 1 73 73 ARG N N 15 125.42 0.4 . 1 . . 1 . 73 ARG N . 15800 1 715 . 1 1 74 74 GLU H H 1 8.35 0.05 . 1 . . 1 . 74 GLU H . 15800 1 716 . 1 1 74 74 GLU CA C 13 54.26 0.5 . 1 . . 1 . 74 GLU CA . 15800 1 717 . 1 1 74 74 GLU CB C 13 29.88 0.5 . 1 . . 1 . 74 GLU CB . 15800 1 718 . 1 1 74 74 GLU N N 15 120.94 0.4 . 1 . . 1 . 74 GLU N . 15800 1 719 . 1 1 75 75 ALA H H 1 8.62 0.05 . 1 . . 1 . 75 ALA H . 15800 1 720 . 1 1 75 75 ALA HA H 1 4.54 0.05 . 1 . . 1 . 75 ALA HA . 15800 1 721 . 1 1 75 75 ALA HB1 H 1 1.38 0.05 . 1 . . 1 . 75 ALA HB . 15800 1 722 . 1 1 75 75 ALA HB2 H 1 1.38 0.05 . 1 . . 1 . 75 ALA HB . 15800 1 723 . 1 1 75 75 ALA HB3 H 1 1.38 0.05 . 1 . . 1 . 75 ALA HB . 15800 1 724 . 1 1 75 75 ALA CA C 13 52.32 0.5 . 1 . . 1 . 75 ALA CA . 15800 1 725 . 1 1 75 75 ALA CB C 13 19.88 0.5 . 1 . . 1 . 75 ALA CB . 15800 1 726 . 1 1 75 75 ALA N N 15 125.07 0.4 . 1 . . 1 . 75 ALA N . 15800 1 727 . 1 1 76 76 VAL H H 1 7.15 0.05 . 1 . . 1 . 76 VAL H . 15800 1 728 . 1 1 76 76 VAL HA H 1 3.98 0.05 . 1 . . 1 . 76 VAL HA . 15800 1 729 . 1 1 76 76 VAL HB H 1 1.48 0.05 . 1 . . 1 . 76 VAL HB . 15800 1 730 . 1 1 76 76 VAL HG11 H 1 0.47 0.05 . 2 . . 1 . 76 VAL HG1 . 15800 1 731 . 1 1 76 76 VAL HG12 H 1 0.47 0.05 . 2 . . 1 . 76 VAL HG1 . 15800 1 732 . 1 1 76 76 VAL HG13 H 1 0.47 0.05 . 2 . . 1 . 76 VAL HG1 . 15800 1 733 . 1 1 76 76 VAL HG21 H 1 0.34 0.05 . 2 . . 1 . 76 VAL HG2 . 15800 1 734 . 1 1 76 76 VAL HG22 H 1 0.34 0.05 . 2 . . 1 . 76 VAL HG2 . 15800 1 735 . 1 1 76 76 VAL HG23 H 1 0.34 0.05 . 2 . . 1 . 76 VAL HG2 . 15800 1 736 . 1 1 76 76 VAL CA C 13 61.79 0.5 . 1 . . 1 . 76 VAL CA . 15800 1 737 . 1 1 76 76 VAL CB C 13 33.20 0.5 . 1 . . 1 . 76 VAL CB . 15800 1 738 . 1 1 76 76 VAL CG1 C 13 21.32 0.5 . 1 . . 1 . 76 VAL CG1 . 15800 1 739 . 1 1 76 76 VAL CG2 C 13 19.34 0.5 . 1 . . 1 . 76 VAL CG2 . 15800 1 740 . 1 1 76 76 VAL N N 15 115.44 0.4 . 1 . . 1 . 76 VAL N . 15800 1 741 . 1 1 77 77 PHE H H 1 8.51 0.05 . 1 . . 1 . 77 PHE H . 15800 1 742 . 1 1 77 77 PHE HA H 1 4.48 0.05 . 1 . . 1 . 77 PHE HA . 15800 1 743 . 1 1 77 77 PHE HB2 H 1 3.25 0.05 . 2 . . 1 . 77 PHE HB2 . 15800 1 744 . 1 1 77 77 PHE HB3 H 1 2.42 0.05 . 2 . . 1 . 77 PHE HB3 . 15800 1 745 . 1 1 77 77 PHE HD1 H 1 6.97 0.05 . 3 . . 1 . 77 PHE HD1 . 15800 1 746 . 1 1 77 77 PHE HD2 H 1 6.97 0.05 . 3 . . 1 . 77 PHE HD2 . 15800 1 747 . 1 1 77 77 PHE HE1 H 1 7.15 0.05 . 3 . . 1 . 77 PHE HE1 . 15800 1 748 . 1 1 77 77 PHE HE2 H 1 7.15 0.05 . 3 . . 1 . 77 PHE HE2 . 15800 1 749 . 1 1 77 77 PHE CA C 13 57.94 0.5 . 1 . . 1 . 77 PHE CA . 15800 1 750 . 1 1 77 77 PHE CB C 13 37.09 0.5 . 1 . . 1 . 77 PHE CB . 15800 1 751 . 1 1 77 77 PHE N N 15 122.21 0.4 . 1 . . 1 . 77 PHE N . 15800 1 752 . 1 1 78 78 PRO HA H 1 4.73 0.05 . 1 . . 1 . 78 PRO HA . 15800 1 753 . 1 1 78 78 PRO HB2 H 1 1.90 0.05 . 2 . . 1 . 78 PRO HB2 . 15800 1 754 . 1 1 78 78 PRO HB3 H 1 1.90 0.05 . 2 . . 1 . 78 PRO HB3 . 15800 1 755 . 1 1 78 78 PRO HD2 H 1 3.20 0.05 . 2 . . 1 . 78 PRO HD2 . 15800 1 756 . 1 1 78 78 PRO HD3 H 1 2.60 0.05 . 2 . . 1 . 78 PRO HD3 . 15800 1 757 . 1 1 78 78 PRO HG2 H 1 1.78 0.05 . 2 . . 1 . 78 PRO HG2 . 15800 1 758 . 1 1 78 78 PRO HG3 H 1 0.85 0.05 . 2 . . 1 . 78 PRO HG3 . 15800 1 759 . 1 1 78 78 PRO CA C 13 62.40 0.5 . 1 . . 1 . 78 PRO CA . 15800 1 760 . 1 1 78 78 PRO CB C 13 30.30 0.5 . 1 . . 1 . 78 PRO CB . 15800 1 761 . 1 1 78 78 PRO CD C 13 48.80 0.5 . 1 . . 1 . 78 PRO CD . 15800 1 762 . 1 1 78 78 PRO CG C 13 27.15 0.5 . 1 . . 1 . 78 PRO CG . 15800 1 763 . 1 1 79 79 PHE H H 1 6.28 0.05 . 1 . . 1 . 79 PHE H . 15800 1 764 . 1 1 79 79 PHE HA H 1 4.73 0.05 . 1 . . 1 . 79 PHE HA . 15800 1 765 . 1 1 79 79 PHE HB2 H 1 2.99 0.05 . 2 . . 1 . 79 PHE HB2 . 15800 1 766 . 1 1 79 79 PHE HB3 H 1 1.98 0.05 . 2 . . 1 . 79 PHE HB3 . 15800 1 767 . 1 1 79 79 PHE HD1 H 1 6.45 0.05 . 3 . . 1 . 79 PHE HD1 . 15800 1 768 . 1 1 79 79 PHE HD2 H 1 6.45 0.05 . 3 . . 1 . 79 PHE HD2 . 15800 1 769 . 1 1 79 79 PHE HE1 H 1 6.83 0.05 . 3 . . 1 . 79 PHE HE1 . 15800 1 770 . 1 1 79 79 PHE HE2 H 1 6.83 0.05 . 3 . . 1 . 79 PHE HE2 . 15800 1 771 . 1 1 79 79 PHE CA C 13 57.06 0.5 . 1 . . 1 . 79 PHE CA . 15800 1 772 . 1 1 79 79 PHE CB C 13 42.89 0.5 . 1 . . 1 . 79 PHE CB . 15800 1 773 . 1 1 79 79 PHE CD1 C 13 131.51 0.5 . 3 . . 1 . 79 PHE CD1 . 15800 1 774 . 1 1 79 79 PHE CD2 C 13 131.51 0.5 . 3 . . 1 . 79 PHE CD2 . 15800 1 775 . 1 1 79 79 PHE CE1 C 13 128.37 0.5 . 3 . . 1 . 79 PHE CE1 . 15800 1 776 . 1 1 79 79 PHE CE2 C 13 128.37 0.5 . 3 . . 1 . 79 PHE CE2 . 15800 1 777 . 1 1 79 79 PHE N N 15 114.96 0.4 . 1 . . 1 . 79 PHE N . 15800 1 778 . 1 1 80 80 GLN H H 1 9.16 0.05 . 1 . . 1 . 80 GLN H . 15800 1 779 . 1 1 80 80 GLN HA H 1 5.21 0.05 . 1 . . 1 . 80 GLN HA . 15800 1 780 . 1 1 80 80 GLN HB2 H 1 2.14 0.05 . 2 . . 1 . 80 GLN HB2 . 15800 1 781 . 1 1 80 80 GLN HB3 H 1 1.97 0.05 . 2 . . 1 . 80 GLN HB3 . 15800 1 782 . 1 1 80 80 GLN HE21 H 1 7.51 0.05 . 2 . . 1 . 80 GLN HE21 . 15800 1 783 . 1 1 80 80 GLN HE22 H 1 6.83 0.05 . 2 . . 1 . 80 GLN HE22 . 15800 1 784 . 1 1 80 80 GLN HG2 H 1 2.43 0.05 . 2 . . 1 . 80 GLN HG2 . 15800 1 785 . 1 1 80 80 GLN HG3 H 1 2.43 0.05 . 2 . . 1 . 80 GLN HG3 . 15800 1 786 . 1 1 80 80 GLN CA C 13 53.01 0.5 . 1 . . 1 . 80 GLN CA . 15800 1 787 . 1 1 80 80 GLN CB C 13 31.34 0.5 . 1 . . 1 . 80 GLN CB . 15800 1 788 . 1 1 80 80 GLN CG C 13 33.59 0.5 . 1 . . 1 . 80 GLN CG . 15800 1 789 . 1 1 80 80 GLN N N 15 120.58 0.4 . 1 . . 1 . 80 GLN N . 15800 1 790 . 1 1 80 80 GLN NE2 N 15 112.27 0.4 . 1 . . 1 . 80 GLN NE2 . 15800 1 791 . 1 1 81 81 PRO HA H 1 3.98 0.05 . 1 . . 1 . 81 PRO HA . 15800 1 792 . 1 1 81 81 PRO HB2 H 1 2.22 0.05 . 2 . . 1 . 81 PRO HB2 . 15800 1 793 . 1 1 81 81 PRO HB3 H 1 1.99 0.05 . 2 . . 1 . 81 PRO HB3 . 15800 1 794 . 1 1 81 81 PRO HD2 H 1 4.04 0.05 . 2 . . 1 . 81 PRO HD2 . 15800 1 795 . 1 1 81 81 PRO HD3 H 1 3.86 0.05 . 2 . . 1 . 81 PRO HD3 . 15800 1 796 . 1 1 81 81 PRO HG2 H 1 2.23 0.05 . 2 . . 1 . 81 PRO HG2 . 15800 1 797 . 1 1 81 81 PRO HG3 H 1 1.66 0.05 . 2 . . 1 . 81 PRO HG3 . 15800 1 798 . 1 1 81 81 PRO CA C 13 63.74 0.5 . 1 . . 1 . 81 PRO CA . 15800 1 799 . 1 1 81 81 PRO CB C 13 32.18 0.5 . 1 . . 1 . 81 PRO CB . 15800 1 800 . 1 1 81 81 PRO CD C 13 51.54 0.5 . 1 . . 1 . 81 PRO CD . 15800 1 801 . 1 1 81 81 PRO CG C 13 28.32 0.5 . 1 . . 1 . 81 PRO CG . 15800 1 802 . 1 1 82 82 GLY H H 1 7.25 0.05 . 1 . . 1 . 82 GLY H . 15800 1 803 . 1 1 82 82 GLY HA2 H 1 4.10 0.05 . 2 . . 1 . 82 GLY HA2 . 15800 1 804 . 1 1 82 82 GLY HA3 H 1 3.71 0.05 . 2 . . 1 . 82 GLY HA3 . 15800 1 805 . 1 1 82 82 GLY CA C 13 46.45 0.5 . 1 . . 1 . 82 GLY CA . 15800 1 806 . 1 1 82 82 GLY N N 15 112.60 0.4 . 1 . . 1 . 82 GLY N . 15800 1 807 . 1 1 83 83 SER H H 1 7.56 0.05 . 1 . . 1 . 83 SER H . 15800 1 808 . 1 1 83 83 SER HA H 1 4.91 0.05 . 1 . . 1 . 83 SER HA . 15800 1 809 . 1 1 83 83 SER HB2 H 1 3.96 0.05 . 2 . . 1 . 83 SER HB2 . 15800 1 810 . 1 1 83 83 SER HB3 H 1 3.87 0.05 . 2 . . 1 . 83 SER HB3 . 15800 1 811 . 1 1 83 83 SER CA C 13 57.55 0.5 . 1 . . 1 . 83 SER CA . 15800 1 812 . 1 1 83 83 SER CB C 13 66.50 0.5 . 1 . . 1 . 83 SER CB . 15800 1 813 . 1 1 83 83 SER N N 15 113.13 0.4 . 1 . . 1 . 83 SER N . 15800 1 814 . 1 1 84 84 VAL H H 1 8.47 0.05 . 1 . . 1 . 84 VAL H . 15800 1 815 . 1 1 84 84 VAL HA H 1 4.70 0.05 . 1 . . 1 . 84 VAL HA . 15800 1 816 . 1 1 84 84 VAL HB H 1 1.96 0.05 . 1 . . 1 . 84 VAL HB . 15800 1 817 . 1 1 84 84 VAL HG11 H 1 0.96 0.05 . 2 . . 1 . 84 VAL HG1 . 15800 1 818 . 1 1 84 84 VAL HG12 H 1 0.96 0.05 . 2 . . 1 . 84 VAL HG1 . 15800 1 819 . 1 1 84 84 VAL HG13 H 1 0.96 0.05 . 2 . . 1 . 84 VAL HG1 . 15800 1 820 . 1 1 84 84 VAL HG21 H 1 0.84 0.05 . 2 . . 1 . 84 VAL HG2 . 15800 1 821 . 1 1 84 84 VAL HG22 H 1 0.84 0.05 . 2 . . 1 . 84 VAL HG2 . 15800 1 822 . 1 1 84 84 VAL HG23 H 1 0.84 0.05 . 2 . . 1 . 84 VAL HG2 . 15800 1 823 . 1 1 84 84 VAL CA C 13 63.01 0.5 . 1 . . 1 . 84 VAL CA . 15800 1 824 . 1 1 84 84 VAL CB C 13 31.13 0.5 . 1 . . 1 . 84 VAL CB . 15800 1 825 . 1 1 84 84 VAL N N 15 122.28 0.4 . 1 . . 1 . 84 VAL N . 15800 1 826 . 1 1 85 85 ALA H H 1 9.19 0.05 . 1 . . 1 . 85 ALA H . 15800 1 827 . 1 1 85 85 ALA HA H 1 4.90 0.05 . 1 . . 1 . 85 ALA HA . 15800 1 828 . 1 1 85 85 ALA HB1 H 1 1.63 0.05 . 1 . . 1 . 85 ALA HB . 15800 1 829 . 1 1 85 85 ALA HB2 H 1 1.63 0.05 . 1 . . 1 . 85 ALA HB . 15800 1 830 . 1 1 85 85 ALA HB3 H 1 1.63 0.05 . 1 . . 1 . 85 ALA HB . 15800 1 831 . 1 1 85 85 ALA CA C 13 51.35 0.5 . 1 . . 1 . 85 ALA CA . 15800 1 832 . 1 1 85 85 ALA CB C 13 23.79 0.5 . 1 . . 1 . 85 ALA CB . 15800 1 833 . 1 1 85 85 ALA N N 15 128.34 0.4 . 1 . . 1 . 85 ALA N . 15800 1 834 . 1 1 86 86 GLU H H 1 7.98 0.05 . 1 . . 1 . 86 GLU H . 15800 1 835 . 1 1 86 86 GLU HA H 1 5.65 0.05 . 1 . . 1 . 86 GLU HA . 15800 1 836 . 1 1 86 86 GLU HB2 H 1 2.01 0.05 . 2 . . 1 . 86 GLU HB2 . 15800 1 837 . 1 1 86 86 GLU HB3 H 1 1.81 0.05 . 2 . . 1 . 86 GLU HB3 . 15800 1 838 . 1 1 86 86 GLU HG2 H 1 1.98 0.05 . 2 . . 1 . 86 GLU HG2 . 15800 1 839 . 1 1 86 86 GLU HG3 H 1 1.90 0.05 . 2 . . 1 . 86 GLU HG3 . 15800 1 840 . 1 1 86 86 GLU CA C 13 54.88 0.5 . 1 . . 1 . 86 GLU CA . 15800 1 841 . 1 1 86 86 GLU CB C 13 34.06 0.5 . 1 . . 1 . 86 GLU CB . 15800 1 842 . 1 1 86 86 GLU CG C 13 38.12 0.5 . 1 . . 1 . 86 GLU CG . 15800 1 843 . 1 1 86 86 GLU N N 15 121.85 0.4 . 1 . . 1 . 86 GLU N . 15800 1 844 . 1 1 87 87 VAL H H 1 8.90 0.05 . 1 . . 1 . 87 VAL H . 15800 1 845 . 1 1 87 87 VAL HA H 1 4.65 0.05 . 1 . . 1 . 87 VAL HA . 15800 1 846 . 1 1 87 87 VAL HB H 1 1.63 0.05 . 1 . . 1 . 87 VAL HB . 15800 1 847 . 1 1 87 87 VAL HG11 H 1 0.62 0.05 . 2 . . 1 . 87 VAL HG1 . 15800 1 848 . 1 1 87 87 VAL HG12 H 1 0.62 0.05 . 2 . . 1 . 87 VAL HG1 . 15800 1 849 . 1 1 87 87 VAL HG13 H 1 0.62 0.05 . 2 . . 1 . 87 VAL HG1 . 15800 1 850 . 1 1 87 87 VAL HG21 H 1 0.87 0.05 . 2 . . 1 . 87 VAL HG2 . 15800 1 851 . 1 1 87 87 VAL HG22 H 1 0.87 0.05 . 2 . . 1 . 87 VAL HG2 . 15800 1 852 . 1 1 87 87 VAL HG23 H 1 0.87 0.05 . 2 . . 1 . 87 VAL HG2 . 15800 1 853 . 1 1 87 87 VAL CA C 13 60.25 0.5 . 1 . . 1 . 87 VAL CA . 15800 1 854 . 1 1 87 87 VAL CB C 13 35.46 0.5 . 1 . . 1 . 87 VAL CB . 15800 1 855 . 1 1 87 87 VAL CG1 C 13 21.21 0.5 . 1 . . 1 . 87 VAL CG1 . 15800 1 856 . 1 1 87 87 VAL CG2 C 13 20.22 0.5 . 1 . . 1 . 87 VAL CG2 . 15800 1 857 . 1 1 87 87 VAL N N 15 123.00 0.4 . 1 . . 1 . 87 VAL N . 15800 1 858 . 1 1 88 88 CYS H H 1 8.23 0.05 . 1 . . 1 . 88 CYS H . 15800 1 859 . 1 1 88 88 CYS HA H 1 5.58 0.05 . 1 . . 1 . 88 CYS HA . 15800 1 860 . 1 1 88 88 CYS HB2 H 1 2.77 0.05 . 2 . . 1 . 88 CYS HB2 . 15800 1 861 . 1 1 88 88 CYS HB3 H 1 2.65 0.05 . 2 . . 1 . 88 CYS HB3 . 15800 1 862 . 1 1 88 88 CYS CA C 13 56.56 0.5 . 1 . . 1 . 88 CYS CA . 15800 1 863 . 1 1 88 88 CYS CB C 13 29.81 0.5 . 1 . . 1 . 88 CYS CB . 15800 1 864 . 1 1 88 88 CYS N N 15 122.95 0.4 . 1 . . 1 . 88 CYS N . 15800 1 865 . 1 1 89 89 ILE H H 1 9.55 0.05 . 1 . . 1 . 89 ILE H . 15800 1 866 . 1 1 89 89 ILE HA H 1 4.96 0.05 . 1 . . 1 . 89 ILE HA . 15800 1 867 . 1 1 89 89 ILE HB H 1 1.70 0.05 . 1 . . 1 . 89 ILE HB . 15800 1 868 . 1 1 89 89 ILE HD11 H 1 0.52 0.05 . 1 . . 1 . 89 ILE HD1 . 15800 1 869 . 1 1 89 89 ILE HD12 H 1 0.52 0.05 . 1 . . 1 . 89 ILE HD1 . 15800 1 870 . 1 1 89 89 ILE HD13 H 1 0.52 0.05 . 1 . . 1 . 89 ILE HD1 . 15800 1 871 . 1 1 89 89 ILE HG12 H 1 1.26 0.05 . 2 . . 1 . 89 ILE HG12 . 15800 1 872 . 1 1 89 89 ILE HG13 H 1 0.85 0.05 . 2 . . 1 . 89 ILE HG13 . 15800 1 873 . 1 1 89 89 ILE HG21 H 1 0.67 0.05 . 1 . . 1 . 89 ILE HG2 . 15800 1 874 . 1 1 89 89 ILE HG22 H 1 0.67 0.05 . 1 . . 1 . 89 ILE HG2 . 15800 1 875 . 1 1 89 89 ILE HG23 H 1 0.67 0.05 . 1 . . 1 . 89 ILE HG2 . 15800 1 876 . 1 1 89 89 ILE CA C 13 60.53 0.5 . 1 . . 1 . 89 ILE CA . 15800 1 877 . 1 1 89 89 ILE CB C 13 41.90 0.5 . 1 . . 1 . 89 ILE CB . 15800 1 878 . 1 1 89 89 ILE CD1 C 13 14.59 0.5 . 1 . . 1 . 89 ILE CD1 . 15800 1 879 . 1 1 89 89 ILE CG1 C 13 29.00 0.5 . 1 . . 1 . 89 ILE CG1 . 15800 1 880 . 1 1 89 89 ILE CG2 C 13 18.87 0.5 . 1 . . 1 . 89 ILE CG2 . 15800 1 881 . 1 1 89 89 ILE N N 15 127.66 0.4 . 1 . . 1 . 89 ILE N . 15800 1 882 . 1 1 90 90 THR H H 1 8.84 0.05 . 1 . . 1 . 90 THR H . 15800 1 883 . 1 1 90 90 THR HA H 1 4.85 0.05 . 1 . . 1 . 90 THR HA . 15800 1 884 . 1 1 90 90 THR HB H 1 4.05 0.05 . 1 . . 1 . 90 THR HB . 15800 1 885 . 1 1 90 90 THR HG21 H 1 1.10 0.05 . 1 . . 1 . 90 THR HG2 . 15800 1 886 . 1 1 90 90 THR HG22 H 1 1.10 0.05 . 1 . . 1 . 90 THR HG2 . 15800 1 887 . 1 1 90 90 THR HG23 H 1 1.10 0.05 . 1 . . 1 . 90 THR HG2 . 15800 1 888 . 1 1 90 90 THR CA C 13 61.04 0.5 . 1 . . 1 . 90 THR CA . 15800 1 889 . 1 1 90 90 THR CB C 13 71.32 0.5 . 1 . . 1 . 90 THR CB . 15800 1 890 . 1 1 90 90 THR CG2 C 13 20.87 0.5 . 1 . . 1 . 90 THR CG2 . 15800 1 891 . 1 1 90 90 THR N N 15 120.94 0.4 . 1 . . 1 . 90 THR N . 15800 1 892 . 1 1 91 91 PHE H H 1 9.09 0.05 . 1 . . 1 . 91 PHE H . 15800 1 893 . 1 1 91 91 PHE HA H 1 5.35 0.05 . 1 . . 1 . 91 PHE HA . 15800 1 894 . 1 1 91 91 PHE HB2 H 1 3.06 0.05 . 2 . . 1 . 91 PHE HB2 . 15800 1 895 . 1 1 91 91 PHE HB3 H 1 2.97 0.05 . 2 . . 1 . 91 PHE HB3 . 15800 1 896 . 1 1 91 91 PHE HD1 H 1 6.87 0.05 . 3 . . 1 . 91 PHE HD1 . 15800 1 897 . 1 1 91 91 PHE HD2 H 1 6.87 0.05 . 3 . . 1 . 91 PHE HD2 . 15800 1 898 . 1 1 91 91 PHE HE1 H 1 7.02 0.05 . 3 . . 1 . 91 PHE HE1 . 15800 1 899 . 1 1 91 91 PHE HE2 H 1 7.02 0.05 . 3 . . 1 . 91 PHE HE2 . 15800 1 900 . 1 1 91 91 PHE CA C 13 56.55 0.5 . 1 . . 1 . 91 PHE CA . 15800 1 901 . 1 1 91 91 PHE CB C 13 42.49 0.5 . 1 . . 1 . 91 PHE CB . 15800 1 902 . 1 1 91 91 PHE N N 15 123.21 0.4 . 1 . . 1 . 91 PHE N . 15800 1 903 . 1 1 92 92 ASP H H 1 8.13 0.05 . 1 . . 1 . 92 ASP H . 15800 1 904 . 1 1 92 92 ASP HA H 1 4.15 0.05 . 1 . . 1 . 92 ASP HA . 15800 1 905 . 1 1 92 92 ASP HB2 H 1 2.96 0.05 . 2 . . 1 . 92 ASP HB2 . 15800 1 906 . 1 1 92 92 ASP CA C 13 52.89 0.5 . 1 . . 1 . 92 ASP CA . 15800 1 907 . 1 1 92 92 ASP CB C 13 43.13 0.5 . 1 . . 1 . 92 ASP CB . 15800 1 908 . 1 1 92 92 ASP N N 15 122.26 0.4 . 1 . . 1 . 92 ASP N . 15800 1 909 . 1 1 93 93 GLN H H 1 8.44 0.05 . 1 . . 1 . 93 GLN H . 15800 1 910 . 1 1 93 93 GLN HA H 1 3.93 0.05 . 1 . . 1 . 93 GLN HA . 15800 1 911 . 1 1 93 93 GLN HB2 H 1 2.05 0.05 . 2 . . 1 . 93 GLN HB2 . 15800 1 912 . 1 1 93 93 GLN HB3 H 1 2.00 0.05 . 2 . . 1 . 93 GLN HB3 . 15800 1 913 . 1 1 93 93 GLN HE21 H 1 7.53 0.05 . 2 . . 1 . 93 GLN HE21 . 15800 1 914 . 1 1 93 93 GLN HE22 H 1 6.80 0.05 . 2 . . 1 . 93 GLN HE22 . 15800 1 915 . 1 1 93 93 GLN HG2 H 1 2.39 0.05 . 2 . . 1 . 93 GLN HG2 . 15800 1 916 . 1 1 93 93 GLN HG3 H 1 2.32 0.05 . 2 . . 1 . 93 GLN HG3 . 15800 1 917 . 1 1 93 93 GLN CA C 13 59.31 0.5 . 1 . . 1 . 93 GLN CA . 15800 1 918 . 1 1 93 93 GLN CB C 13 28.84 0.5 . 1 . . 1 . 93 GLN CB . 15800 1 919 . 1 1 93 93 GLN CG C 13 34.44 0.5 . 1 . . 1 . 93 GLN CG . 15800 1 920 . 1 1 93 93 GLN N N 15 114.98 0.4 . 1 . . 1 . 93 GLN N . 15800 1 921 . 1 1 94 94 ALA H H 1 8.56 0.05 . 1 . . 1 . 94 ALA H . 15800 1 922 . 1 1 94 94 ALA HA H 1 4.60 0.05 . 1 . . 1 . 94 ALA HA . 15800 1 923 . 1 1 94 94 ALA HB1 H 1 1.44 0.05 . 1 . . 1 . 94 ALA HB . 15800 1 924 . 1 1 94 94 ALA HB2 H 1 1.44 0.05 . 1 . . 1 . 94 ALA HB . 15800 1 925 . 1 1 94 94 ALA HB3 H 1 1.44 0.05 . 1 . . 1 . 94 ALA HB . 15800 1 926 . 1 1 94 94 ALA CA C 13 53.76 0.5 . 1 . . 1 . 94 ALA CA . 15800 1 927 . 1 1 94 94 ALA CB C 13 21.24 0.5 . 1 . . 1 . 94 ALA CB . 15800 1 928 . 1 1 94 94 ALA N N 15 119.39 0.4 . 1 . . 1 . 94 ALA N . 15800 1 929 . 1 1 95 95 ASN H H 1 8.56 0.05 . 1 . . 1 . 95 ASN H . 15800 1 930 . 1 1 95 95 ASN HA H 1 5.21 0.05 . 1 . . 1 . 95 ASN HA . 15800 1 931 . 1 1 95 95 ASN HB2 H 1 2.52 0.05 . 2 . . 1 . 95 ASN HB2 . 15800 1 932 . 1 1 95 95 ASN HB3 H 1 2.34 0.05 . 2 . . 1 . 95 ASN HB3 . 15800 1 933 . 1 1 95 95 ASN HD21 H 1 7.79 0.05 . 2 . . 1 . 95 ASN HD21 . 15800 1 934 . 1 1 95 95 ASN HD22 H 1 6.80 0.05 . 2 . . 1 . 95 ASN HD22 . 15800 1 935 . 1 1 95 95 ASN CA C 13 53.27 0.5 . 1 . . 1 . 95 ASN CA . 15800 1 936 . 1 1 95 95 ASN CB C 13 44.15 0.5 . 1 . . 1 . 95 ASN CB . 15800 1 937 . 1 1 95 95 ASN N N 15 116.78 0.4 . 1 . . 1 . 95 ASN N . 15800 1 938 . 1 1 95 95 ASN ND2 N 15 116.27 0.4 . 1 . . 1 . 95 ASN ND2 . 15800 1 939 . 1 1 96 96 LEU H H 1 9.80 0.05 . 1 . . 1 . 96 LEU H . 15800 1 940 . 1 1 96 96 LEU HA H 1 5.08 0.05 . 1 . . 1 . 96 LEU HA . 15800 1 941 . 1 1 96 96 LEU HB2 H 1 1.96 0.05 . 2 . . 1 . 96 LEU HB2 . 15800 1 942 . 1 1 96 96 LEU HB3 H 1 1.58 0.05 . 2 . . 1 . 96 LEU HB3 . 15800 1 943 . 1 1 96 96 LEU HD11 H 1 0.95 0.05 . 2 . . 1 . 96 LEU HD1 . 15800 1 944 . 1 1 96 96 LEU HD12 H 1 0.95 0.05 . 2 . . 1 . 96 LEU HD1 . 15800 1 945 . 1 1 96 96 LEU HD13 H 1 0.95 0.05 . 2 . . 1 . 96 LEU HD1 . 15800 1 946 . 1 1 96 96 LEU HD21 H 1 1.11 0.05 . 2 . . 1 . 96 LEU HD2 . 15800 1 947 . 1 1 96 96 LEU HD22 H 1 1.11 0.05 . 2 . . 1 . 96 LEU HD2 . 15800 1 948 . 1 1 96 96 LEU HD23 H 1 1.11 0.05 . 2 . . 1 . 96 LEU HD2 . 15800 1 949 . 1 1 96 96 LEU HG H 1 1.89 0.05 . 1 . . 1 . 96 LEU HG . 15800 1 950 . 1 1 96 96 LEU CA C 13 56.75 0.5 . 1 . . 1 . 96 LEU CA . 15800 1 951 . 1 1 96 96 LEU CB C 13 42.77 0.5 . 1 . . 1 . 96 LEU CB . 15800 1 952 . 1 1 96 96 LEU CD1 C 13 27.51 0.5 . 1 . . 1 . 96 LEU CD1 . 15800 1 953 . 1 1 96 96 LEU CD2 C 13 26.13 0.5 . 1 . . 1 . 96 LEU CD2 . 15800 1 954 . 1 1 96 96 LEU CG C 13 30.50 0.5 . 1 . . 1 . 96 LEU CG . 15800 1 955 . 1 1 96 96 LEU N N 15 122.22 0.4 . 1 . . 1 . 96 LEU N . 15800 1 956 . 1 1 97 97 THR H H 1 8.98 0.05 . 1 . . 1 . 97 THR H . 15800 1 957 . 1 1 97 97 THR HA H 1 4.71 0.05 . 1 . . 1 . 97 THR HA . 15800 1 958 . 1 1 97 97 THR HB H 1 3.84 0.05 . 1 . . 1 . 97 THR HB . 15800 1 959 . 1 1 97 97 THR HG21 H 1 0.85 0.05 . 1 . . 1 . 97 THR HG2 . 15800 1 960 . 1 1 97 97 THR HG22 H 1 0.85 0.05 . 1 . . 1 . 97 THR HG2 . 15800 1 961 . 1 1 97 97 THR HG23 H 1 0.85 0.05 . 1 . . 1 . 97 THR HG2 . 15800 1 962 . 1 1 97 97 THR CA C 13 63.87 0.5 . 1 . . 1 . 97 THR CA . 15800 1 963 . 1 1 97 97 THR CB C 13 69.70 0.5 . 1 . . 1 . 97 THR CB . 15800 1 964 . 1 1 97 97 THR CG2 C 13 21.16 0.5 . 1 . . 1 . 97 THR CG2 . 15800 1 965 . 1 1 97 97 THR N N 15 119.08 0.4 . 1 . . 1 . 97 THR N . 15800 1 966 . 1 1 98 98 VAL H H 1 8.74 0.05 . 1 . . 1 . 98 VAL H . 15800 1 967 . 1 1 98 98 VAL HA H 1 4.22 0.05 . 1 . . 1 . 98 VAL HA . 15800 1 968 . 1 1 98 98 VAL HB H 1 0.56 0.05 . 1 . . 1 . 98 VAL HB . 15800 1 969 . 1 1 98 98 VAL HG11 H 1 0.27 0.05 . 2 . . 1 . 98 VAL HG1 . 15800 1 970 . 1 1 98 98 VAL HG12 H 1 0.27 0.05 . 2 . . 1 . 98 VAL HG1 . 15800 1 971 . 1 1 98 98 VAL HG13 H 1 0.27 0.05 . 2 . . 1 . 98 VAL HG1 . 15800 1 972 . 1 1 98 98 VAL HG21 H 1 0.32 0.05 . 2 . . 1 . 98 VAL HG2 . 15800 1 973 . 1 1 98 98 VAL HG22 H 1 0.32 0.05 . 2 . . 1 . 98 VAL HG2 . 15800 1 974 . 1 1 98 98 VAL HG23 H 1 0.32 0.05 . 2 . . 1 . 98 VAL HG2 . 15800 1 975 . 1 1 98 98 VAL CA C 13 60.94 0.5 . 1 . . 1 . 98 VAL CA . 15800 1 976 . 1 1 98 98 VAL CB C 13 31.89 0.5 . 1 . . 1 . 98 VAL CB . 15800 1 977 . 1 1 98 98 VAL CG1 C 13 21.59 0.5 . 1 . . 1 . 98 VAL CG1 . 15800 1 978 . 1 1 98 98 VAL CG2 C 13 20.45 0.5 . 1 . . 1 . 98 VAL CG2 . 15800 1 979 . 1 1 98 98 VAL N N 15 128.99 0.4 . 1 . . 1 . 98 VAL N . 15800 1 980 . 1 1 99 99 LYS H H 1 9.02 0.05 . 1 . . 1 . 99 LYS H . 15800 1 981 . 1 1 99 99 LYS HA H 1 4.91 0.05 . 1 . . 1 . 99 LYS HA . 15800 1 982 . 1 1 99 99 LYS HB2 H 1 1.77 0.05 . 2 . . 1 . 99 LYS HB2 . 15800 1 983 . 1 1 99 99 LYS HB3 H 1 1.55 0.05 . 2 . . 1 . 99 LYS HB3 . 15800 1 984 . 1 1 99 99 LYS HD2 H 1 1.23 0.05 . 2 . . 1 . 99 LYS HD2 . 15800 1 985 . 1 1 99 99 LYS HD3 H 1 1.23 0.05 . 2 . . 1 . 99 LYS HD3 . 15800 1 986 . 1 1 99 99 LYS HE2 H 1 2.88 0.05 . 2 . . 1 . 99 LYS HE2 . 15800 1 987 . 1 1 99 99 LYS HE3 H 1 2.88 0.05 . 2 . . 1 . 99 LYS HE3 . 15800 1 988 . 1 1 99 99 LYS HG2 H 1 1.36 0.05 . 2 . . 1 . 99 LYS HG2 . 15800 1 989 . 1 1 99 99 LYS HG3 H 1 1.36 0.05 . 2 . . 1 . 99 LYS HG3 . 15800 1 990 . 1 1 99 99 LYS CA C 13 55.24 0.5 . 1 . . 1 . 99 LYS CA . 15800 1 991 . 1 1 99 99 LYS CB C 13 34.82 0.5 . 1 . . 1 . 99 LYS CB . 15800 1 992 . 1 1 99 99 LYS CD C 13 27.36 0.5 . 1 . . 1 . 99 LYS CD . 15800 1 993 . 1 1 99 99 LYS CE C 13 42.15 0.5 . 1 . . 1 . 99 LYS CE . 15800 1 994 . 1 1 99 99 LYS CG C 13 25.11 0.5 . 1 . . 1 . 99 LYS CG . 15800 1 995 . 1 1 99 99 LYS N N 15 126.68 0.4 . 1 . . 1 . 99 LYS N . 15800 1 996 . 1 1 100 100 LEU H H 1 9.07 0.05 . 1 . . 1 . 100 LEU H . 15800 1 997 . 1 1 100 100 LEU HA H 1 4.68 0.05 . 1 . . 1 . 100 LEU HA . 15800 1 998 . 1 1 100 100 LEU CA C 13 53.00 0.5 . 1 . . 1 . 100 LEU CA . 15800 1 999 . 1 1 100 100 LEU CB C 13 40.51 0.5 . 1 . . 1 . 100 LEU CB . 15800 1 1000 . 1 1 100 100 LEU N N 15 125.81 0.4 . 1 . . 1 . 100 LEU N . 15800 1 1001 . 1 1 101 101 PRO HA H 1 4.49 0.05 . 1 . . 1 . 101 PRO HA . 15800 1 1002 . 1 1 101 101 PRO HB2 H 1 2.66 0.05 . 2 . . 1 . 101 PRO HB2 . 15800 1 1003 . 1 1 101 101 PRO HB3 H 1 1.89 0.05 . 2 . . 1 . 101 PRO HB3 . 15800 1 1004 . 1 1 101 101 PRO HD2 H 1 3.59 0.05 . 2 . . 1 . 101 PRO HD2 . 15800 1 1005 . 1 1 101 101 PRO HD3 H 1 3.56 0.05 . 2 . . 1 . 101 PRO HD3 . 15800 1 1006 . 1 1 101 101 PRO HG2 H 1 2.22 0.05 . 2 . . 1 . 101 PRO HG2 . 15800 1 1007 . 1 1 101 101 PRO HG3 H 1 1.80 0.05 . 2 . . 1 . 101 PRO HG3 . 15800 1 1008 . 1 1 101 101 PRO CA C 13 65.03 0.5 . 1 . . 1 . 101 PRO CA . 15800 1 1009 . 1 1 101 101 PRO CB C 13 32.57 0.5 . 1 . . 1 . 101 PRO CB . 15800 1 1010 . 1 1 101 101 PRO CD C 13 50.72 0.5 . 1 . . 1 . 101 PRO CD . 15800 1 1011 . 1 1 101 101 PRO CG C 13 28.12 0.5 . 1 . . 1 . 101 PRO CG . 15800 1 1012 . 1 1 102 102 ASP H H 1 8.15 0.05 . 1 . . 1 . 102 ASP H . 15800 1 1013 . 1 1 102 102 ASP HA H 1 4.39 0.05 . 1 . . 1 . 102 ASP HA . 15800 1 1014 . 1 1 102 102 ASP HB2 H 1 2.95 0.05 . 2 . . 1 . 102 ASP HB2 . 15800 1 1015 . 1 1 102 102 ASP HB3 H 1 2.64 0.05 . 2 . . 1 . 102 ASP HB3 . 15800 1 1016 . 1 1 102 102 ASP CA C 13 54.68 0.5 . 1 . . 1 . 102 ASP CA . 15800 1 1017 . 1 1 102 102 ASP CB C 13 40.31 0.5 . 1 . . 1 . 102 ASP CB . 15800 1 1018 . 1 1 102 102 ASP N N 15 114.14 0.4 . 1 . . 1 . 102 ASP N . 15800 1 1019 . 1 1 103 103 GLY H H 1 8.28 0.05 . 1 . . 1 . 103 GLY H . 15800 1 1020 . 1 1 103 103 GLY HA2 H 1 4.24 0.05 . 2 . . 1 . 103 GLY HA2 . 15800 1 1021 . 1 1 103 103 GLY HA3 H 1 3.50 0.05 . 2 . . 1 . 103 GLY HA3 . 15800 1 1022 . 1 1 103 103 GLY CA C 13 45.50 0.5 . 1 . . 1 . 103 GLY CA . 15800 1 1023 . 1 1 103 103 GLY N N 15 107.71 0.4 . 1 . . 1 . 103 GLY N . 15800 1 1024 . 1 1 104 104 TYR HA H 1 4.60 0.05 . 1 . . 1 . 104 TYR HA . 15800 1 1025 . 1 1 104 104 TYR HB2 H 1 2.77 0.05 . 2 . . 1 . 104 TYR HB2 . 15800 1 1026 . 1 1 104 104 TYR HB3 H 1 2.50 0.05 . 2 . . 1 . 104 TYR HB3 . 15800 1 1027 . 1 1 104 104 TYR HE1 H 1 6.51 0.05 . 3 . . 1 . 104 TYR HE1 . 15800 1 1028 . 1 1 104 104 TYR HE2 H 1 6.51 0.05 . 3 . . 1 . 104 TYR HE2 . 15800 1 1029 . 1 1 104 104 TYR CA C 13 55.98 0.5 . 1 . . 1 . 104 TYR CA . 15800 1 1030 . 1 1 104 104 TYR CB C 13 43.21 0.5 . 1 . . 1 . 104 TYR CB . 15800 1 1031 . 1 1 104 104 TYR CE1 C 13 117.79 0.5 . 3 . . 1 . 104 TYR CE1 . 15800 1 1032 . 1 1 104 104 TYR CE2 C 13 117.79 0.5 . 3 . . 1 . 104 TYR CE2 . 15800 1 1033 . 1 1 105 105 GLU H H 1 9.04 0.05 . 1 . . 1 . 105 GLU H . 15800 1 1034 . 1 1 105 105 GLU HA H 1 5.60 0.05 . 1 . . 1 . 105 GLU HA . 15800 1 1035 . 1 1 105 105 GLU HB2 H 1 1.71 0.05 . 2 . . 1 . 105 GLU HB2 . 15800 1 1036 . 1 1 105 105 GLU HB3 H 1 1.71 0.05 . 2 . . 1 . 105 GLU HB3 . 15800 1 1037 . 1 1 105 105 GLU HG2 H 1 2.07 0.05 . 2 . . 1 . 105 GLU HG2 . 15800 1 1038 . 1 1 105 105 GLU HG3 H 1 1.87 0.05 . 2 . . 1 . 105 GLU HG3 . 15800 1 1039 . 1 1 105 105 GLU CA C 13 54.26 0.5 . 1 . . 1 . 105 GLU CA . 15800 1 1040 . 1 1 105 105 GLU CB C 13 34.05 0.5 . 1 . . 1 . 105 GLU CB . 15800 1 1041 . 1 1 105 105 GLU CG C 13 36.48 0.5 . 1 . . 1 . 105 GLU CG . 15800 1 1042 . 1 1 105 105 GLU N N 15 127.33 0.4 . 1 . . 1 . 105 GLU N . 15800 1 1043 . 1 1 106 106 PHE H H 1 8.51 0.05 . 1 . . 1 . 106 PHE H . 15800 1 1044 . 1 1 106 106 PHE HA H 1 5.00 0.05 . 1 . . 1 . 106 PHE HA . 15800 1 1045 . 1 1 106 106 PHE HB2 H 1 3.31 0.05 . 2 . . 1 . 106 PHE HB2 . 15800 1 1046 . 1 1 106 106 PHE HB3 H 1 3.10 0.05 . 2 . . 1 . 106 PHE HB3 . 15800 1 1047 . 1 1 106 106 PHE HD1 H 1 7.03 0.05 . 3 . . 1 . 106 PHE HD1 . 15800 1 1048 . 1 1 106 106 PHE HD2 H 1 7.03 0.05 . 3 . . 1 . 106 PHE HD2 . 15800 1 1049 . 1 1 106 106 PHE HE1 H 1 7.20 0.05 . 3 . . 1 . 106 PHE HE1 . 15800 1 1050 . 1 1 106 106 PHE HE2 H 1 7.20 0.05 . 3 . . 1 . 106 PHE HE2 . 15800 1 1051 . 1 1 106 106 PHE CA C 13 55.70 0.5 . 1 . . 1 . 106 PHE CA . 15800 1 1052 . 1 1 106 106 PHE CB C 13 42.51 0.5 . 1 . . 1 . 106 PHE CB . 15800 1 1053 . 1 1 106 106 PHE N N 15 117.86 0.4 . 1 . . 1 . 106 PHE N . 15800 1 1054 . 1 1 107 107 LYS H H 1 8.64 0.05 . 1 . . 1 . 107 LYS H . 15800 1 1055 . 1 1 107 107 LYS HA H 1 5.47 0.05 . 1 . . 1 . 107 LYS HA . 15800 1 1056 . 1 1 107 107 LYS HB2 H 1 1.73 0.05 . 2 . . 1 . 107 LYS HB2 . 15800 1 1057 . 1 1 107 107 LYS HB3 H 1 1.51 0.05 . 2 . . 1 . 107 LYS HB3 . 15800 1 1058 . 1 1 107 107 LYS HD2 H 1 1.46 0.05 . 2 . . 1 . 107 LYS HD2 . 15800 1 1059 . 1 1 107 107 LYS HD3 H 1 1.46 0.05 . 2 . . 1 . 107 LYS HD3 . 15800 1 1060 . 1 1 107 107 LYS HE2 H 1 2.86 0.05 . 2 . . 1 . 107 LYS HE2 . 15800 1 1061 . 1 1 107 107 LYS HE3 H 1 2.86 0.05 . 2 . . 1 . 107 LYS HE3 . 15800 1 1062 . 1 1 107 107 LYS HG2 H 1 1.40 0.05 . 2 . . 1 . 107 LYS HG2 . 15800 1 1063 . 1 1 107 107 LYS HG3 H 1 1.40 0.05 . 2 . . 1 . 107 LYS HG3 . 15800 1 1064 . 1 1 107 107 LYS CA C 13 54.46 0.5 . 1 . . 1 . 107 LYS CA . 15800 1 1065 . 1 1 107 107 LYS CB C 13 35.97 0.5 . 1 . . 1 . 107 LYS CB . 15800 1 1066 . 1 1 107 107 LYS CD C 13 29.47 0.5 . 1 . . 1 . 107 LYS CD . 15800 1 1067 . 1 1 107 107 LYS CE C 13 42.40 0.5 . 1 . . 1 . 107 LYS CE . 15800 1 1068 . 1 1 107 107 LYS CG C 13 25.43 0.5 . 1 . . 1 . 107 LYS CG . 15800 1 1069 . 1 1 107 107 LYS N N 15 118.84 0.4 . 1 . . 1 . 107 LYS N . 15800 1 1070 . 1 1 108 108 PHE H H 1 9.15 0.05 . 1 . . 1 . 108 PHE H . 15800 1 1071 . 1 1 108 108 PHE HA H 1 5.38 0.05 . 1 . . 1 . 108 PHE HA . 15800 1 1072 . 1 1 108 108 PHE HB2 H 1 3.07 0.05 . 2 . . 1 . 108 PHE HB2 . 15800 1 1073 . 1 1 108 108 PHE HB3 H 1 2.93 0.05 . 2 . . 1 . 108 PHE HB3 . 15800 1 1074 . 1 1 108 108 PHE HD1 H 1 7.35 0.05 . 3 . . 1 . 108 PHE HD1 . 15800 1 1075 . 1 1 108 108 PHE HD2 H 1 7.35 0.05 . 3 . . 1 . 108 PHE HD2 . 15800 1 1076 . 1 1 108 108 PHE HE1 H 1 7.47 0.05 . 3 . . 1 . 108 PHE HE1 . 15800 1 1077 . 1 1 108 108 PHE HE2 H 1 7.47 0.05 . 3 . . 1 . 108 PHE HE2 . 15800 1 1078 . 1 1 108 108 PHE CA C 13 54.76 0.5 . 1 . . 1 . 108 PHE CA . 15800 1 1079 . 1 1 108 108 PHE CB C 13 44.18 0.5 . 1 . . 1 . 108 PHE CB . 15800 1 1080 . 1 1 108 108 PHE N N 15 125.05 0.4 . 1 . . 1 . 108 PHE N . 15800 1 1081 . 1 1 109 109 PRO HA H 1 4.78 0.05 . 1 . . 1 . 109 PRO HA . 15800 1 1082 . 1 1 109 109 PRO HB2 H 1 2.22 0.05 . 2 . . 1 . 109 PRO HB2 . 15800 1 1083 . 1 1 109 109 PRO HB3 H 1 1.64 0.05 . 2 . . 1 . 109 PRO HB3 . 15800 1 1084 . 1 1 109 109 PRO HD2 H 1 3.57 0.05 . 2 . . 1 . 109 PRO HD2 . 15800 1 1085 . 1 1 109 109 PRO HD3 H 1 2.69 0.05 . 2 . . 1 . 109 PRO HD3 . 15800 1 1086 . 1 1 109 109 PRO HG2 H 1 1.88 0.05 . 2 . . 1 . 109 PRO HG2 . 15800 1 1087 . 1 1 109 109 PRO HG3 H 1 1.61 0.05 . 2 . . 1 . 109 PRO HG3 . 15800 1 1088 . 1 1 109 109 PRO CA C 13 63.12 0.5 . 1 . . 1 . 109 PRO CA . 15800 1 1089 . 1 1 109 109 PRO CB C 13 32.16 0.5 . 1 . . 1 . 109 PRO CB . 15800 1 1090 . 1 1 109 109 PRO CD C 13 48.77 0.5 . 1 . . 1 . 109 PRO CD . 15800 1 1091 . 1 1 109 109 PRO CG C 13 27.79 0.5 . 1 . . 1 . 109 PRO CG . 15800 1 1092 . 1 1 110 110 ASN H H 1 8.15 0.05 . 1 . . 1 . 110 ASN H . 15800 1 1093 . 1 1 110 110 ASN HA H 1 4.69 0.05 . 1 . . 1 . 110 ASN HA . 15800 1 1094 . 1 1 110 110 ASN HB2 H 1 3.31 0.05 . 2 . . 1 . 110 ASN HB2 . 15800 1 1095 . 1 1 110 110 ASN HB3 H 1 2.16 0.05 . 2 . . 1 . 110 ASN HB3 . 15800 1 1096 . 1 1 110 110 ASN HD21 H 1 7.87 0.05 . 2 . . 1 . 110 ASN HD21 . 15800 1 1097 . 1 1 110 110 ASN HD22 H 1 7.22 0.05 . 2 . . 1 . 110 ASN HD22 . 15800 1 1098 . 1 1 110 110 ASN CA C 13 51.51 0.5 . 1 . . 1 . 110 ASN CA . 15800 1 1099 . 1 1 110 110 ASN CB C 13 35.51 0.5 . 1 . . 1 . 110 ASN CB . 15800 1 1100 . 1 1 110 110 ASN N N 15 118.74 0.4 . 1 . . 1 . 110 ASN N . 15800 1 1101 . 1 1 110 110 ASN ND2 N 15 109.24 0.4 . 1 . . 1 . 110 ASN ND2 . 15800 1 1102 . 1 1 111 111 ARG H H 1 8.54 0.05 . 1 . . 1 . 111 ARG H . 15800 1 1103 . 1 1 111 111 ARG HA H 1 4.11 0.05 . 1 . . 1 . 111 ARG HA . 15800 1 1104 . 1 1 111 111 ARG CA C 13 59.26 0.5 . 1 . . 1 . 111 ARG CA . 15800 1 1105 . 1 1 111 111 ARG CB C 13 29.89 0.5 . 1 . . 1 . 111 ARG CB . 15800 1 1106 . 1 1 111 111 ARG N N 15 124.01 0.4 . 1 . . 1 . 111 ARG N . 15800 1 1107 . 1 1 112 112 LEU H H 1 8.52 0.05 . 1 . . 1 . 112 LEU H . 15800 1 1108 . 1 1 112 112 LEU HA H 1 4.38 0.05 . 1 . . 1 . 112 LEU HA . 15800 1 1109 . 1 1 112 112 LEU HB2 H 1 1.87 0.05 . 2 . . 1 . 112 LEU HB2 . 15800 1 1110 . 1 1 112 112 LEU HB3 H 1 1.51 0.05 . 2 . . 1 . 112 LEU HB3 . 15800 1 1111 . 1 1 112 112 LEU HD21 H 1 0.87 0.05 . 2 . . 1 . 112 LEU HD2 . 15800 1 1112 . 1 1 112 112 LEU HD22 H 1 0.87 0.05 . 2 . . 1 . 112 LEU HD2 . 15800 1 1113 . 1 1 112 112 LEU HD23 H 1 0.87 0.05 . 2 . . 1 . 112 LEU HD2 . 15800 1 1114 . 1 1 112 112 LEU CA C 13 55.56 0.5 . 1 . . 1 . 112 LEU CA . 15800 1 1115 . 1 1 112 112 LEU CB C 13 43.00 0.5 . 1 . . 1 . 112 LEU CB . 15800 1 1116 . 1 1 112 112 LEU CD2 C 13 24.37 0.5 . 1 . . 1 . 112 LEU CD2 . 15800 1 1117 . 1 1 112 112 LEU N N 15 118.26 0.4 . 1 . . 1 . 112 LEU N . 15800 1 1118 . 1 1 113 113 ASN H H 1 7.92 0.05 . 1 . . 1 . 113 ASN H . 15800 1 1119 . 1 1 113 113 ASN HA H 1 4.37 0.05 . 1 . . 1 . 113 ASN HA . 15800 1 1120 . 1 1 113 113 ASN HB2 H 1 2.96 0.05 . 2 . . 1 . 113 ASN HB2 . 15800 1 1121 . 1 1 113 113 ASN HB3 H 1 2.74 0.05 . 2 . . 1 . 113 ASN HB3 . 15800 1 1122 . 1 1 113 113 ASN HD21 H 1 7.49 0.05 . 2 . . 1 . 113 ASN HD21 . 15800 1 1123 . 1 1 113 113 ASN HD22 H 1 6.72 0.05 . 2 . . 1 . 113 ASN HD22 . 15800 1 1124 . 1 1 113 113 ASN CA C 13 54.24 0.5 . 1 . . 1 . 113 ASN CA . 15800 1 1125 . 1 1 113 113 ASN CB C 13 37.65 0.5 . 1 . . 1 . 113 ASN CB . 15800 1 1126 . 1 1 113 113 ASN N N 15 116.11 0.4 . 1 . . 1 . 113 ASN N . 15800 1 1127 . 1 1 113 113 ASN ND2 N 15 112.01 0.4 . 1 . . 1 . 113 ASN ND2 . 15800 1 1128 . 1 1 114 114 LEU H H 1 7.71 0.05 . 1 . . 1 . 114 LEU H . 15800 1 1129 . 1 1 114 114 LEU HA H 1 4.25 0.05 . 1 . . 1 . 114 LEU HA . 15800 1 1130 . 1 1 114 114 LEU HB2 H 1 1.66 0.05 . 2 . . 1 . 114 LEU HB2 . 15800 1 1131 . 1 1 114 114 LEU HB3 H 1 1.54 0.05 . 2 . . 1 . 114 LEU HB3 . 15800 1 1132 . 1 1 114 114 LEU CA C 13 56.13 0.5 . 1 . . 1 . 114 LEU CA . 15800 1 1133 . 1 1 114 114 LEU CB C 13 42.18 0.5 . 1 . . 1 . 114 LEU CB . 15800 1 1134 . 1 1 114 114 LEU N N 15 116.05 0.4 . 1 . . 1 . 114 LEU N . 15800 1 1135 . 1 1 115 115 GLU H H 1 9.03 0.05 . 1 . . 1 . 115 GLU H . 15800 1 1136 . 1 1 115 115 GLU HA H 1 4.37 0.05 . 1 . . 1 . 115 GLU HA . 15800 1 1137 . 1 1 115 115 GLU HB2 H 1 2.21 0.05 . 2 . . 1 . 115 GLU HB2 . 15800 1 1138 . 1 1 115 115 GLU HB3 H 1 2.00 0.05 . 2 . . 1 . 115 GLU HB3 . 15800 1 1139 . 1 1 115 115 GLU HG2 H 1 2.34 0.05 . 2 . . 1 . 115 GLU HG2 . 15800 1 1140 . 1 1 115 115 GLU HG3 H 1 2.28 0.05 . 2 . . 1 . 115 GLU HG3 . 15800 1 1141 . 1 1 115 115 GLU CA C 13 56.76 0.5 . 1 . . 1 . 115 GLU CA . 15800 1 1142 . 1 1 115 115 GLU CB C 13 30.92 0.5 . 1 . . 1 . 115 GLU CB . 15800 1 1143 . 1 1 115 115 GLU CG C 13 36.60 0.5 . 1 . . 1 . 115 GLU CG . 15800 1 1144 . 1 1 115 115 GLU N N 15 120.10 0.4 . 1 . . 1 . 115 GLU N . 15800 1 1145 . 1 1 116 116 ALA H H 1 7.41 0.05 . 1 . . 1 . 116 ALA H . 15800 1 1146 . 1 1 116 116 ALA HA H 1 5.04 0.05 . 1 . . 1 . 116 ALA HA . 15800 1 1147 . 1 1 116 116 ALA HB1 H 1 1.21 0.05 . 1 . . 1 . 116 ALA HB . 15800 1 1148 . 1 1 116 116 ALA HB2 H 1 1.21 0.05 . 1 . . 1 . 116 ALA HB . 15800 1 1149 . 1 1 116 116 ALA HB3 H 1 1.21 0.05 . 1 . . 1 . 116 ALA HB . 15800 1 1150 . 1 1 116 116 ALA CA C 13 51.52 0.5 . 1 . . 1 . 116 ALA CA . 15800 1 1151 . 1 1 116 116 ALA CB C 13 22.10 0.5 . 1 . . 1 . 116 ALA CB . 15800 1 1152 . 1 1 116 116 ALA N N 15 118.92 0.4 . 1 . . 1 . 116 ALA N . 15800 1 1153 . 1 1 117 117 ILE H H 1 8.80 0.05 . 1 . . 1 . 117 ILE H . 15800 1 1154 . 1 1 117 117 ILE HA H 1 3.85 0.05 . 1 . . 1 . 117 ILE HA . 15800 1 1155 . 1 1 117 117 ILE HB H 1 1.58 0.05 . 1 . . 1 . 117 ILE HB . 15800 1 1156 . 1 1 117 117 ILE HD11 H 1 0.15 0.05 . 1 . . 1 . 117 ILE HD1 . 15800 1 1157 . 1 1 117 117 ILE HD12 H 1 0.15 0.05 . 1 . . 1 . 117 ILE HD1 . 15800 1 1158 . 1 1 117 117 ILE HD13 H 1 0.15 0.05 . 1 . . 1 . 117 ILE HD1 . 15800 1 1159 . 1 1 117 117 ILE HG12 H 1 0.61 0.05 . 2 . . 1 . 117 ILE HG12 . 15800 1 1160 . 1 1 117 117 ILE HG13 H 1 0.32 0.05 . 2 . . 1 . 117 ILE HG13 . 15800 1 1161 . 1 1 117 117 ILE HG21 H 1 0.92 0.05 . 1 . . 1 . 117 ILE HG2 . 15800 1 1162 . 1 1 117 117 ILE HG22 H 1 0.92 0.05 . 1 . . 1 . 117 ILE HG2 . 15800 1 1163 . 1 1 117 117 ILE HG23 H 1 0.92 0.05 . 1 . . 1 . 117 ILE HG2 . 15800 1 1164 . 1 1 117 117 ILE CA C 13 61.85 0.5 . 1 . . 1 . 117 ILE CA . 15800 1 1165 . 1 1 117 117 ILE CB C 13 39.47 0.5 . 1 . . 1 . 117 ILE CB . 15800 1 1166 . 1 1 117 117 ILE CD1 C 13 13.68 0.5 . 1 . . 1 . 117 ILE CD1 . 15800 1 1167 . 1 1 117 117 ILE CG1 C 13 28.11 0.5 . 1 . . 1 . 117 ILE CG1 . 15800 1 1168 . 1 1 117 117 ILE CG2 C 13 18.66 0.5 . 1 . . 1 . 117 ILE CG2 . 15800 1 1169 . 1 1 117 117 ILE N N 15 120.73 0.4 . 1 . . 1 . 117 ILE N . 15800 1 1170 . 1 1 118 118 ASN H H 1 7.78 0.05 . 1 . . 1 . 118 ASN H . 15800 1 1171 . 1 1 118 118 ASN HA H 1 5.28 0.05 . 1 . . 1 . 118 ASN HA . 15800 1 1172 . 1 1 118 118 ASN HB2 H 1 3.32 0.05 . 2 . . 1 . 118 ASN HB2 . 15800 1 1173 . 1 1 118 118 ASN HB3 H 1 2.79 0.05 . 2 . . 1 . 118 ASN HB3 . 15800 1 1174 . 1 1 118 118 ASN HD21 H 1 7.92 0.05 . 2 . . 1 . 118 ASN HD21 . 15800 1 1175 . 1 1 118 118 ASN HD22 H 1 7.21 0.05 . 2 . . 1 . 118 ASN HD22 . 15800 1 1176 . 1 1 118 118 ASN CA C 13 54.11 0.5 . 1 . . 1 . 118 ASN CA . 15800 1 1177 . 1 1 118 118 ASN CB C 13 43.51 0.5 . 1 . . 1 . 118 ASN CB . 15800 1 1178 . 1 1 118 118 ASN N N 15 123.99 0.4 . 1 . . 1 . 118 ASN N . 15800 1 1179 . 1 1 118 118 ASN ND2 N 15 113.59 0.4 . 1 . . 1 . 118 ASN ND2 . 15800 1 1180 . 1 1 119 119 TYR H H 1 8.28 0.05 . 1 . . 1 . 119 TYR H . 15800 1 1181 . 1 1 119 119 TYR HA H 1 5.35 0.05 . 1 . . 1 . 119 TYR HA . 15800 1 1182 . 1 1 119 119 TYR HB2 H 1 2.83 0.05 . 2 . . 1 . 119 TYR HB2 . 15800 1 1183 . 1 1 119 119 TYR HB3 H 1 2.18 0.05 . 2 . . 1 . 119 TYR HB3 . 15800 1 1184 . 1 1 119 119 TYR HE1 H 1 6.82 0.05 . 3 . . 1 . 119 TYR HE1 . 15800 1 1185 . 1 1 119 119 TYR HE2 H 1 6.82 0.05 . 3 . . 1 . 119 TYR HE2 . 15800 1 1186 . 1 1 119 119 TYR CA C 13 57.17 0.5 . 1 . . 1 . 119 TYR CA . 15800 1 1187 . 1 1 119 119 TYR CB C 13 42.43 0.5 . 1 . . 1 . 119 TYR CB . 15800 1 1188 . 1 1 119 119 TYR CE1 C 13 118.55 0.5 . 3 . . 1 . 119 TYR CE1 . 15800 1 1189 . 1 1 119 119 TYR CE2 C 13 118.55 0.5 . 3 . . 1 . 119 TYR CE2 . 15800 1 1190 . 1 1 119 119 TYR N N 15 123.17 0.4 . 1 . . 1 . 119 TYR N . 15800 1 1191 . 1 1 120 120 MET H H 1 8.59 0.05 . 1 . . 1 . 120 MET H . 15800 1 1192 . 1 1 120 120 MET HA H 1 5.36 0.05 . 1 . . 1 . 120 MET HA . 15800 1 1193 . 1 1 120 120 MET HB2 H 1 1.77 0.05 . 2 . . 1 . 120 MET HB2 . 15800 1 1194 . 1 1 120 120 MET HB3 H 1 1.76 0.05 . 2 . . 1 . 120 MET HB3 . 15800 1 1195 . 1 1 120 120 MET HG2 H 1 2.33 0.05 . 2 . . 1 . 120 MET HG2 . 15800 1 1196 . 1 1 120 120 MET HG3 H 1 2.16 0.05 . 2 . . 1 . 120 MET HG3 . 15800 1 1197 . 1 1 120 120 MET CA C 13 53.79 0.5 . 1 . . 1 . 120 MET CA . 15800 1 1198 . 1 1 120 120 MET CB C 13 37.78 0.5 . 1 . . 1 . 120 MET CB . 15800 1 1199 . 1 1 120 120 MET CG C 13 32.27 0.5 . 1 . . 1 . 120 MET CG . 15800 1 1200 . 1 1 120 120 MET N N 15 126.99 0.4 . 1 . . 1 . 120 MET N . 15800 1 1201 . 1 1 121 121 ALA H H 1 8.94 0.05 . 1 . . 1 . 121 ALA H . 15800 1 1202 . 1 1 121 121 ALA HA H 1 5.34 0.05 . 1 . . 1 . 121 ALA HA . 15800 1 1203 . 1 1 121 121 ALA HB1 H 1 1.44 0.05 . 1 . . 1 . 121 ALA HB . 15800 1 1204 . 1 1 121 121 ALA HB2 H 1 1.44 0.05 . 1 . . 1 . 121 ALA HB . 15800 1 1205 . 1 1 121 121 ALA HB3 H 1 1.44 0.05 . 1 . . 1 . 121 ALA HB . 15800 1 1206 . 1 1 121 121 ALA CA C 13 51.17 0.5 . 1 . . 1 . 121 ALA CA . 15800 1 1207 . 1 1 121 121 ALA CB C 13 24.35 0.5 . 1 . . 1 . 121 ALA CB . 15800 1 1208 . 1 1 121 121 ALA N N 15 125.30 0.4 . 1 . . 1 . 121 ALA N . 15800 1 1209 . 1 1 122 122 ALA H H 1 8.69 0.05 . 1 . . 1 . 122 ALA H . 15800 1 1210 . 1 1 122 122 ALA HA H 1 5.67 0.05 . 1 . . 1 . 122 ALA HA . 15800 1 1211 . 1 1 122 122 ALA HB1 H 1 1.56 0.05 . 1 . . 1 . 122 ALA HB . 15800 1 1212 . 1 1 122 122 ALA HB2 H 1 1.56 0.05 . 1 . . 1 . 122 ALA HB . 15800 1 1213 . 1 1 122 122 ALA HB3 H 1 1.56 0.05 . 1 . . 1 . 122 ALA HB . 15800 1 1214 . 1 1 122 122 ALA CA C 13 50.04 0.5 . 1 . . 1 . 122 ALA CA . 15800 1 1215 . 1 1 122 122 ALA CB C 13 23.25 0.5 . 1 . . 1 . 122 ALA CB . 15800 1 1216 . 1 1 122 122 ALA N N 15 124.57 0.4 . 1 . . 1 . 122 ALA N . 15800 1 1217 . 1 1 123 123 ASP H H 1 9.01 0.05 . 1 . . 1 . 123 ASP H . 15800 1 1218 . 1 1 123 123 ASP HA H 1 5.21 0.05 . 1 . . 1 . 123 ASP HA . 15800 1 1219 . 1 1 123 123 ASP HB2 H 1 2.66 0.05 . 2 . . 1 . 123 ASP HB2 . 15800 1 1220 . 1 1 123 123 ASP HB3 H 1 2.60 0.05 . 2 . . 1 . 123 ASP HB3 . 15800 1 1221 . 1 1 123 123 ASP CA C 13 52.81 0.5 . 1 . . 1 . 123 ASP CA . 15800 1 1222 . 1 1 123 123 ASP CB C 13 45.74 0.5 . 1 . . 1 . 123 ASP CB . 15800 1 1223 . 1 1 123 123 ASP N N 15 119.26 0.4 . 1 . . 1 . 123 ASP N . 15800 1 1224 . 1 1 124 124 GLY H H 1 8.58 0.05 . 1 . . 1 . 124 GLY H . 15800 1 1225 . 1 1 124 124 GLY HA2 H 1 4.54 0.05 . 2 . . 1 . 124 GLY HA2 . 15800 1 1226 . 1 1 124 124 GLY HA3 H 1 4.03 0.05 . 2 . . 1 . 124 GLY HA3 . 15800 1 1227 . 1 1 124 124 GLY CA C 13 46.10 0.5 . 1 . . 1 . 124 GLY CA . 15800 1 1228 . 1 1 124 124 GLY N N 15 108.30 0.4 . 1 . . 1 . 124 GLY N . 15800 1 1229 . 1 1 125 125 ASP H H 1 8.77 0.05 . 1 . . 1 . 125 ASP H . 15800 1 1230 . 1 1 125 125 ASP HA H 1 4.82 0.05 . 1 . . 1 . 125 ASP HA . 15800 1 1231 . 1 1 125 125 ASP HB2 H 1 2.90 0.05 . 2 . . 1 . 125 ASP HB2 . 15800 1 1232 . 1 1 125 125 ASP HB3 H 1 2.62 0.05 . 2 . . 1 . 125 ASP HB3 . 15800 1 1233 . 1 1 125 125 ASP CA C 13 55.77 0.5 . 1 . . 1 . 125 ASP CA . 15800 1 1234 . 1 1 125 125 ASP CB C 13 41.13 0.5 . 1 . . 1 . 125 ASP CB . 15800 1 1235 . 1 1 125 125 ASP N N 15 123.79 0.4 . 1 . . 1 . 125 ASP N . 15800 1 1236 . 1 1 126 126 PHE H H 1 8.12 0.05 . 1 . . 1 . 126 PHE H . 15800 1 1237 . 1 1 126 126 PHE HA H 1 4.99 0.05 . 1 . . 1 . 126 PHE HA . 15800 1 1238 . 1 1 126 126 PHE HB2 H 1 2.36 0.05 . 2 . . 1 . 126 PHE HB2 . 15800 1 1239 . 1 1 126 126 PHE HB3 H 1 1.92 0.05 . 2 . . 1 . 126 PHE HB3 . 15800 1 1240 . 1 1 126 126 PHE HD1 H 1 6.35 0.05 . 3 . . 1 . 126 PHE HD1 . 15800 1 1241 . 1 1 126 126 PHE HD2 H 1 6.35 0.05 . 3 . . 1 . 126 PHE HD2 . 15800 1 1242 . 1 1 126 126 PHE HE1 H 1 6.86 0.05 . 3 . . 1 . 126 PHE HE1 . 15800 1 1243 . 1 1 126 126 PHE HE2 H 1 6.86 0.05 . 3 . . 1 . 126 PHE HE2 . 15800 1 1244 . 1 1 126 126 PHE HZ H 1 6.66 0.05 . 1 . . 1 . 126 PHE HZ . 15800 1 1245 . 1 1 126 126 PHE CA C 13 56.05 0.5 . 1 . . 1 . 126 PHE CA . 15800 1 1246 . 1 1 126 126 PHE CB C 13 43.60 0.5 . 1 . . 1 . 126 PHE CB . 15800 1 1247 . 1 1 126 126 PHE CD1 C 13 131.81 0.5 . 3 . . 1 . 126 PHE CD1 . 15800 1 1248 . 1 1 126 126 PHE CD2 C 13 131.81 0.5 . 3 . . 1 . 126 PHE CD2 . 15800 1 1249 . 1 1 126 126 PHE N N 15 123.14 0.4 . 1 . . 1 . 126 PHE N . 15800 1 1250 . 1 1 127 127 LYS H H 1 8.15 0.05 . 1 . . 1 . 127 LYS H . 15800 1 1251 . 1 1 127 127 LYS HA H 1 4.46 0.05 . 1 . . 1 . 127 LYS HA . 15800 1 1252 . 1 1 127 127 LYS HB2 H 1 1.64 0.05 . 2 . . 1 . 127 LYS HB2 . 15800 1 1253 . 1 1 127 127 LYS HB3 H 1 1.64 0.05 . 2 . . 1 . 127 LYS HB3 . 15800 1 1254 . 1 1 127 127 LYS HD2 H 1 1.61 0.05 . 2 . . 1 . 127 LYS HD2 . 15800 1 1255 . 1 1 127 127 LYS HD3 H 1 1.61 0.05 . 2 . . 1 . 127 LYS HD3 . 15800 1 1256 . 1 1 127 127 LYS HE2 H 1 2.92 0.05 . 2 . . 1 . 127 LYS HE2 . 15800 1 1257 . 1 1 127 127 LYS HE3 H 1 2.92 0.05 . 2 . . 1 . 127 LYS HE3 . 15800 1 1258 . 1 1 127 127 LYS HG2 H 1 1.32 0.05 . 2 . . 1 . 127 LYS HG2 . 15800 1 1259 . 1 1 127 127 LYS HG3 H 1 1.11 0.05 . 2 . . 1 . 127 LYS HG3 . 15800 1 1260 . 1 1 127 127 LYS CA C 13 54.88 0.5 . 1 . . 1 . 127 LYS CA . 15800 1 1261 . 1 1 127 127 LYS CB C 13 34.68 0.5 . 1 . . 1 . 127 LYS CB . 15800 1 1262 . 1 1 127 127 LYS CD C 13 29.68 0.5 . 1 . . 1 . 127 LYS CD . 15800 1 1263 . 1 1 127 127 LYS CE C 13 42.49 0.5 . 1 . . 1 . 127 LYS CE . 15800 1 1264 . 1 1 127 127 LYS CG C 13 24.99 0.5 . 1 . . 1 . 127 LYS CG . 15800 1 1265 . 1 1 127 127 LYS N N 15 128.25 0.4 . 1 . . 1 . 127 LYS N . 15800 1 1266 . 1 1 128 128 ILE H H 1 8.54 0.05 . 1 . . 1 . 128 ILE H . 15800 1 1267 . 1 1 128 128 ILE HA H 1 3.34 0.05 . 1 . . 1 . 128 ILE HA . 15800 1 1268 . 1 1 128 128 ILE HB H 1 1.74 0.05 . 1 . . 1 . 128 ILE HB . 15800 1 1269 . 1 1 128 128 ILE HD11 H 1 0.70 0.05 . 1 . . 1 . 128 ILE HD1 . 15800 1 1270 . 1 1 128 128 ILE HD12 H 1 0.70 0.05 . 1 . . 1 . 128 ILE HD1 . 15800 1 1271 . 1 1 128 128 ILE HD13 H 1 0.70 0.05 . 1 . . 1 . 128 ILE HD1 . 15800 1 1272 . 1 1 128 128 ILE HG12 H 1 1.43 0.05 . 2 . . 1 . 128 ILE HG12 . 15800 1 1273 . 1 1 128 128 ILE HG13 H 1 1.09 0.05 . 2 . . 1 . 128 ILE HG13 . 15800 1 1274 . 1 1 128 128 ILE HG21 H 1 0.78 0.05 . 1 . . 1 . 128 ILE HG2 . 15800 1 1275 . 1 1 128 128 ILE HG22 H 1 0.78 0.05 . 1 . . 1 . 128 ILE HG2 . 15800 1 1276 . 1 1 128 128 ILE HG23 H 1 0.78 0.05 . 1 . . 1 . 128 ILE HG2 . 15800 1 1277 . 1 1 128 128 ILE CA C 13 63.15 0.5 . 1 . . 1 . 128 ILE CA . 15800 1 1278 . 1 1 128 128 ILE CB C 13 37.29 0.5 . 1 . . 1 . 128 ILE CB . 15800 1 1279 . 1 1 128 128 ILE CD1 C 13 12.67 0.5 . 1 . . 1 . 128 ILE CD1 . 15800 1 1280 . 1 1 128 128 ILE CG1 C 13 28.93 0.5 . 1 . . 1 . 128 ILE CG1 . 15800 1 1281 . 1 1 128 128 ILE CG2 C 13 18.05 0.5 . 1 . . 1 . 128 ILE CG2 . 15800 1 1282 . 1 1 128 128 ILE N N 15 127.36 0.4 . 1 . . 1 . 128 ILE N . 15800 1 1283 . 1 1 129 129 LYS H H 1 9.25 0.05 . 1 . . 1 . 129 LYS H . 15800 1 1284 . 1 1 129 129 LYS CA C 13 55.51 0.5 . 1 . . 1 . 129 LYS CA . 15800 1 1285 . 1 1 129 129 LYS CB C 13 32.33 0.5 . 1 . . 1 . 129 LYS CB . 15800 1 1286 . 1 1 129 129 LYS N N 15 124.62 0.4 . 1 . . 1 . 129 LYS N . 15800 1 1287 . 1 1 130 130 CYS H H 1 8.24 0.05 . 1 . . 1 . 130 CYS H . 15800 1 1288 . 1 1 130 130 CYS HA H 1 5.23 0.05 . 1 . . 1 . 130 CYS HA . 15800 1 1289 . 1 1 130 130 CYS HB2 H 1 3.00 0.05 . 2 . . 1 . 130 CYS HB2 . 15800 1 1290 . 1 1 130 130 CYS HB3 H 1 2.59 0.05 . 2 . . 1 . 130 CYS HB3 . 15800 1 1291 . 1 1 130 130 CYS CA C 13 58.63 0.5 . 1 . . 1 . 130 CYS CA . 15800 1 1292 . 1 1 130 130 CYS CB C 13 29.68 0.5 . 1 . . 1 . 130 CYS CB . 15800 1 1293 . 1 1 130 130 CYS N N 15 119.34 0.4 . 1 . . 1 . 130 CYS N . 15800 1 1294 . 1 1 131 131 VAL H H 1 8.98 0.05 . 1 . . 1 . 131 VAL H . 15800 1 1295 . 1 1 131 131 VAL HA H 1 4.72 0.05 . 1 . . 1 . 131 VAL HA . 15800 1 1296 . 1 1 131 131 VAL HB H 1 1.78 0.05 . 1 . . 1 . 131 VAL HB . 15800 1 1297 . 1 1 131 131 VAL HG11 H 1 0.61 0.05 . 2 . . 1 . 131 VAL HG1 . 15800 1 1298 . 1 1 131 131 VAL HG12 H 1 0.61 0.05 . 2 . . 1 . 131 VAL HG1 . 15800 1 1299 . 1 1 131 131 VAL HG13 H 1 0.61 0.05 . 2 . . 1 . 131 VAL HG1 . 15800 1 1300 . 1 1 131 131 VAL HG21 H 1 0.84 0.05 . 2 . . 1 . 131 VAL HG2 . 15800 1 1301 . 1 1 131 131 VAL HG22 H 1 0.84 0.05 . 2 . . 1 . 131 VAL HG2 . 15800 1 1302 . 1 1 131 131 VAL HG23 H 1 0.84 0.05 . 2 . . 1 . 131 VAL HG2 . 15800 1 1303 . 1 1 131 131 VAL CA C 13 61.32 0.5 . 1 . . 1 . 131 VAL CA . 15800 1 1304 . 1 1 131 131 VAL CB C 13 34.55 0.5 . 1 . . 1 . 131 VAL CB . 15800 1 1305 . 1 1 131 131 VAL CG1 C 13 21.66 0.5 . 1 . . 1 . 131 VAL CG1 . 15800 1 1306 . 1 1 131 131 VAL CG2 C 13 21.30 0.5 . 1 . . 1 . 131 VAL CG2 . 15800 1 1307 . 1 1 131 131 VAL N N 15 127.50 0.4 . 1 . . 1 . 131 VAL N . 15800 1 1308 . 1 1 132 132 ALA H H 1 9.06 0.05 . 1 . . 1 . 132 ALA H . 15800 1 1309 . 1 1 132 132 ALA HA H 1 4.98 0.05 . 1 . . 1 . 132 ALA HA . 15800 1 1310 . 1 1 132 132 ALA HB1 H 1 1.37 0.05 . 1 . . 1 . 132 ALA HB . 15800 1 1311 . 1 1 132 132 ALA HB2 H 1 1.37 0.05 . 1 . . 1 . 132 ALA HB . 15800 1 1312 . 1 1 132 132 ALA HB3 H 1 1.37 0.05 . 1 . . 1 . 132 ALA HB . 15800 1 1313 . 1 1 132 132 ALA CA C 13 50.37 0.5 . 1 . . 1 . 132 ALA CA . 15800 1 1314 . 1 1 132 132 ALA CB C 13 21.93 0.5 . 1 . . 1 . 132 ALA CB . 15800 1 1315 . 1 1 132 132 ALA N N 15 128.49 0.4 . 1 . . 1 . 132 ALA N . 15800 1 1316 . 1 1 133 133 PHE H H 1 8.34 0.05 . 1 . . 1 . 133 PHE H . 15800 1 1317 . 1 1 133 133 PHE HA H 1 5.18 0.05 . 1 . . 1 . 133 PHE HA . 15800 1 1318 . 1 1 133 133 PHE HB2 H 1 3.31 0.05 . 2 . . 1 . 133 PHE HB2 . 15800 1 1319 . 1 1 133 133 PHE HB3 H 1 2.95 0.05 . 2 . . 1 . 133 PHE HB3 . 15800 1 1320 . 1 1 133 133 PHE HD1 H 1 7.00 0.05 . 3 . . 1 . 133 PHE HD1 . 15800 1 1321 . 1 1 133 133 PHE HD2 H 1 7.00 0.05 . 3 . . 1 . 133 PHE HD2 . 15800 1 1322 . 1 1 133 133 PHE HE1 H 1 7.17 0.05 . 3 . . 1 . 133 PHE HE1 . 15800 1 1323 . 1 1 133 133 PHE HE2 H 1 7.17 0.05 . 3 . . 1 . 133 PHE HE2 . 15800 1 1324 . 1 1 133 133 PHE HZ H 1 7.06 0.05 . 1 . . 1 . 133 PHE HZ . 15800 1 1325 . 1 1 133 133 PHE CA C 13 55.96 0.5 . 1 . . 1 . 133 PHE CA . 15800 1 1326 . 1 1 133 133 PHE CB C 13 40.10 0.5 . 1 . . 1 . 133 PHE CB . 15800 1 1327 . 1 1 133 133 PHE N N 15 120.31 0.4 . 1 . . 1 . 133 PHE N . 15800 1 1328 . 1 1 134 134 ASP H H 1 8.53 0.05 . 1 . . 1 . 134 ASP H . 15800 1 1329 . 1 1 134 134 ASP HA H 1 4.55 0.05 . 1 . . 1 . 134 ASP HA . 15800 1 1330 . 1 1 134 134 ASP HB2 H 1 2.77 0.05 . 2 . . 1 . 134 ASP HB2 . 15800 1 1331 . 1 1 134 134 ASP HB3 H 1 2.50 0.05 . 2 . . 1 . 134 ASP HB3 . 15800 1 1332 . 1 1 134 134 ASP CA C 13 55.85 0.5 . 1 . . 1 . 134 ASP CA . 15800 1 1333 . 1 1 134 134 ASP CB C 13 43.01 0.5 . 1 . . 1 . 134 ASP CB . 15800 1 1334 . 1 1 134 134 ASP N N 15 128.06 0.4 . 1 . . 1 . 134 ASP N . 15800 1 stop_ save_