data_5943 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5943 _Entry.Title ; Letter to the Editor: 1H, 15N and 13C Resonance Assignments and Secondary Structure Determination of the D2 Domain of the Human Acidic Fibroblast Growth Factor Receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-09-09 _Entry.Accession_date 2003-09-12 _Entry.Last_release_date 2004-09-30 _Entry.Original_release_date 2004-09-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kuo-Wei Hung . . . 5943 2 SureshKumar Thallampuranam . Krishnaswamy . 5943 3 Chin Yu . . . 5943 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5943 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 336 5943 '15N chemical shifts' 100 5943 '1H chemical shifts' 720 5943 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-09-30 2003-09-09 original author . 5943 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5943 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15452438 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N chemical shift assignments of the D2 domain of the fibroblast growth factor. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 99 _Citation.Page_last 100 _Citation.Year 2004 _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 Kuo-Wei Hung . . . 5943 1 2 T. Kumar . K.S. . 5943 1 3 Chin Yu . . . 5943 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_FGFR _Assembly.Sf_category assembly _Assembly.Sf_framecode system_FGFR _Assembly.Entry_ID 5943 _Assembly.ID 1 _Assembly.Name 'Fibroblast growth factor receptor' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disuldide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5943 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'FGFRD2 monomer' 1 $FGFR . . . native . . . . . 5943 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 34 34 SG . 1 . 1 CYS 86 86 SG . . . . . . . . . . 5943 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID FGFR abbreviation 5943 1 'Fibroblast growth factor receptor' system 5943 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FGFR _Entity.Sf_category entity _Entity.Sf_framecode FGFR _Entity.Entry_ID 5943 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Fibroblast growth factor receptor' _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 ; MNSNNKRAPYWTNTEKMEKR LHAVPAANTVKFRCPAGGNP MPTMRWLKNGKEFKQEHRIG GYKVRNQHWSLIMESVVPSD KGNYTCVVENEYGSINHTYH LDVVLVPRGSLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disuldide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13709.59 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1E0O . "Crystal Structure Of A Ternary Fgf1-Fgfr2-Heparin Complex" . . . . . 86.44 219 100.00 100.00 1.10e-68 . . . . 5943 1 2 no PDB 1EV2 . "Crystal Structure Of Fgf2 In Complex With The Extracellular Ligand Binding Domain Of Fgf Receptor 2 (Fgfr2)" . . . . . 87.29 220 100.00 100.00 1.93e-69 . . . . 5943 1 3 no PDB 1II4 . "Crystal Structure Of Ser252trp Apert Mutant Fgf Receptor 2 (Fgfr2) In Complex With Fgf2" . . . . . 87.29 220 100.00 100.00 3.50e-69 . . . . 5943 1 4 no PDB 1IIL . "Crystal Structure Of Pro253arg Apert Mutant Fgf Receptor 2 (Fgfr2) In Complex With Fgf2" . . . . . 87.29 220 100.00 100.00 1.69e-69 . . . . 5943 1 5 no PDB 1WVZ . "Solution Structure Of The D2 Domain Of The Fibroblast Growth Factor" . . . . . 88.14 104 100.00 100.00 2.54e-71 . . . . 5943 1 6 no PDB 2FDB . "Crystal Structure Of Fibroblast Growth Factor (Fgf)8b In Complex With Fgf Receptor (Fgfr) 2c" . . . . . 85.59 220 100.00 100.00 3.91e-68 . . . . 5943 1 7 no PDB 3CAF . "Crystal Structure Of Hfgfr2 D2 Domain" . . . . . 84.75 100 100.00 100.00 2.29e-68 . . . . 5943 1 8 no PDB 3CU1 . "Crystal Structure Of 2:2:2 Fgfr2d2:fgf1:sos Complex" . . . . . 84.75 100 100.00 100.00 2.29e-68 . . . . 5943 1 9 no PDB 3DAR . "Crystal Structure Of D2 Domain From Human Fgfr2" . . . . . 87.29 105 100.00 100.00 1.75e-70 . . . . 5943 1 10 no PDB 3EUU . "Crystal Structure Of The Fgfr2 D2 Domain" . . . . . 84.75 100 100.00 100.00 2.29e-68 . . . . 5943 1 11 no PDB 3OJ2 . "Crystal Structure Of Fgf1 Complexed With The Ectodomain Of Fgfr2b Harboring The A172f Pfeiffer Syndrome Mutation" . . . . . 87.29 231 99.03 99.03 9.04e-69 . . . . 5943 1 12 no PDB 3OJM . "Crystal Structure Of Fgf1 Complexed With The Ectodomain Of Fgfr2b Harboring P253r Apert Mutation" . . . . . 87.29 231 100.00 100.00 8.56e-70 . . . . 5943 1 13 no PDB 4J23 . "Low Resolution Crystal Structure Of The Fgfr2d2d3/fgf1/sr128545 Complex" . . . . . 88.14 223 100.00 100.00 2.68e-70 . . . . 5943 1 14 no DBJ BAA89296 . "K-sam-IIH1 [Homo sapiens]" . . . . . 87.29 819 100.00 100.00 7.45e-66 . . . . 5943 1 15 no DBJ BAA89297 . "K-sam-IIH2 [Homo sapiens]" . . . . . 87.29 819 100.00 100.00 8.49e-66 . . . . 5943 1 16 no DBJ BAA89298 . "K-sam-IIH3 [Homo sapiens]" . . . . . 87.29 830 100.00 100.00 7.26e-66 . . . . 5943 1 17 no DBJ BAA89299 . "K-sam-IIO1 [Homo sapiens]" . . . . . 87.29 771 100.00 100.00 5.54e-66 . . . . 5943 1 18 no DBJ BAA89300 . "K-sam-IIO2 [Homo sapiens]" . . . . . 87.29 817 100.00 100.00 8.98e-66 . . . . 5943 1 19 no EMBL CAA37014 . "unnamed protein product [Homo sapiens]" . . . . . 87.29 821 100.00 100.00 1.05e-65 . . . . 5943 1 20 no EMBL CAA39654 . "fibroblast growth factor (FGR) receptor [Homo sapiens]" . . . . . 87.29 769 100.00 100.00 6.45e-66 . . . . 5943 1 21 no EMBL CAA96492 . "FGFR2 [Homo sapiens]" . . . . . 87.29 821 100.00 100.00 1.05e-65 . . . . 5943 1 22 no GB AAA02691 . "heparin-binding fibroblast growth factor receptor 2 [Rattus norvegicus]" . . . . . 82.20 331 97.94 98.97 3.86e-63 . . . . 5943 1 23 no GB AAA02693 . "heparin-binding fibroblast growth factor receptor 2 [Rattus norvegicus]" . . . . . 82.20 330 98.97 98.97 1.99e-63 . . . . 5943 1 24 no GB AAA36147 . "keratinocyte growth factor receptor [Homo sapiens]" . . . . . 87.29 822 100.00 100.00 8.41e-66 . . . . 5943 1 25 no GB AAA36152 . "K-sam protein [Homo sapiens]" . . . . . 87.29 682 100.00 100.00 2.68e-66 . . . . 5943 1 26 no GB AAA39377 . "keratinocyte growth factor receptor [Mus musculus]" . . . . . 82.20 707 97.94 98.97 1.52e-60 . . . . 5943 1 27 no PIR A54846 . "fibroblast growth factor receptor a precursor - rat" . . . . . 81.36 707 97.92 98.96 6.64e-60 . . . . 5943 1 28 no REF NP_000132 . "fibroblast growth factor receptor 2 isoform 1 precursor [Homo sapiens]" . . . . . 87.29 821 100.00 100.00 1.05e-65 . . . . 5943 1 29 no REF NP_001003336 . "fibroblast growth factor receptor 2 precursor [Canis lupus familiaris]" . . . . . 82.20 707 98.97 98.97 5.62e-61 . . . . 5943 1 30 no REF NP_001076157 . "fibroblast growth factor receptor 2 precursor [Oryctolagus cuniculus]" . . . . . 87.29 782 97.09 99.03 1.08e-63 . . . . 5943 1 31 no REF NP_001103365 . "fibroblast growth factor receptor 2 isoform e [Rattus norvegicus]" . . . . . 82.20 726 97.94 98.97 2.31e-60 . . . . 5943 1 32 no REF NP_001103366 . "fibroblast growth factor receptor 2 isoform f [Rattus norvegicus]" . . . . . 82.20 725 97.94 98.97 2.95e-60 . . . . 5943 1 33 no SP P21802 . "RecName: Full=Fibroblast growth factor receptor 2; Short=FGFR-2; AltName: Full=K-sam; Short=KGFR; AltName: Full=Keratinocyte gr" . . . . . 87.29 821 100.00 100.00 1.05e-65 . . . . 5943 1 34 no TPG DAA14698 . "TPA: fibroblast growth factor receptor 2 [Bos taurus]" . . . . . 87.29 846 97.09 99.03 9.88e-64 . . . . 5943 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID FGFR abbreviation 5943 1 'Fibroblast growth factor receptor' common 5943 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 . MET . 5943 1 2 . ASN . 5943 1 3 . SER . 5943 1 4 . ASN . 5943 1 5 . ASN . 5943 1 6 . LYS . 5943 1 7 . ARG . 5943 1 8 . ALA . 5943 1 9 . PRO . 5943 1 10 . TYR . 5943 1 11 . TRP . 5943 1 12 . THR . 5943 1 13 . ASN . 5943 1 14 . THR . 5943 1 15 . GLU . 5943 1 16 . LYS . 5943 1 17 . MET . 5943 1 18 . GLU . 5943 1 19 . LYS . 5943 1 20 . ARG . 5943 1 21 . LEU . 5943 1 22 . HIS . 5943 1 23 . ALA . 5943 1 24 . VAL . 5943 1 25 . PRO . 5943 1 26 . ALA . 5943 1 27 . ALA . 5943 1 28 . ASN . 5943 1 29 . THR . 5943 1 30 . VAL . 5943 1 31 . LYS . 5943 1 32 . PHE . 5943 1 33 . ARG . 5943 1 34 . CYS . 5943 1 35 . PRO . 5943 1 36 . ALA . 5943 1 37 . GLY . 5943 1 38 . GLY . 5943 1 39 . ASN . 5943 1 40 . PRO . 5943 1 41 . MET . 5943 1 42 . PRO . 5943 1 43 . THR . 5943 1 44 . MET . 5943 1 45 . ARG . 5943 1 46 . TRP . 5943 1 47 . LEU . 5943 1 48 . LYS . 5943 1 49 . ASN . 5943 1 50 . GLY . 5943 1 51 . LYS . 5943 1 52 . GLU . 5943 1 53 . PHE . 5943 1 54 . LYS . 5943 1 55 . GLN . 5943 1 56 . GLU . 5943 1 57 . HIS . 5943 1 58 . ARG . 5943 1 59 . ILE . 5943 1 60 . GLY . 5943 1 61 . GLY . 5943 1 62 . TYR . 5943 1 63 . LYS . 5943 1 64 . VAL . 5943 1 65 . ARG . 5943 1 66 . ASN . 5943 1 67 . GLN . 5943 1 68 . HIS . 5943 1 69 . TRP . 5943 1 70 . SER . 5943 1 71 . LEU . 5943 1 72 . ILE . 5943 1 73 . MET . 5943 1 74 . GLU . 5943 1 75 . SER . 5943 1 76 . VAL . 5943 1 77 . VAL . 5943 1 78 . PRO . 5943 1 79 . SER . 5943 1 80 . ASP . 5943 1 81 . LYS . 5943 1 82 . GLY . 5943 1 83 . ASN . 5943 1 84 . TYR . 5943 1 85 . THR . 5943 1 86 . CYS . 5943 1 87 . VAL . 5943 1 88 . VAL . 5943 1 89 . GLU . 5943 1 90 . ASN . 5943 1 91 . GLU . 5943 1 92 . TYR . 5943 1 93 . GLY . 5943 1 94 . SER . 5943 1 95 . ILE . 5943 1 96 . ASN . 5943 1 97 . HIS . 5943 1 98 . THR . 5943 1 99 . TYR . 5943 1 100 . HIS . 5943 1 101 . LEU . 5943 1 102 . ASP . 5943 1 103 . VAL . 5943 1 104 . VAL . 5943 1 105 . LEU . 5943 1 106 . VAL . 5943 1 107 . PRO . 5943 1 108 . ARG . 5943 1 109 . GLY . 5943 1 110 . SER . 5943 1 111 . LEU . 5943 1 112 . GLU . 5943 1 113 . HIS . 5943 1 114 . HIS . 5943 1 115 . HIS . 5943 1 116 . HIS . 5943 1 117 . HIS . 5943 1 118 . HIS . 5943 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 . MET 1 1 5943 1 . ASN 2 2 5943 1 . SER 3 3 5943 1 . ASN 4 4 5943 1 . ASN 5 5 5943 1 . LYS 6 6 5943 1 . ARG 7 7 5943 1 . ALA 8 8 5943 1 . PRO 9 9 5943 1 . TYR 10 10 5943 1 . TRP 11 11 5943 1 . THR 12 12 5943 1 . ASN 13 13 5943 1 . THR 14 14 5943 1 . GLU 15 15 5943 1 . LYS 16 16 5943 1 . MET 17 17 5943 1 . GLU 18 18 5943 1 . LYS 19 19 5943 1 . ARG 20 20 5943 1 . LEU 21 21 5943 1 . HIS 22 22 5943 1 . ALA 23 23 5943 1 . VAL 24 24 5943 1 . PRO 25 25 5943 1 . ALA 26 26 5943 1 . ALA 27 27 5943 1 . ASN 28 28 5943 1 . THR 29 29 5943 1 . VAL 30 30 5943 1 . LYS 31 31 5943 1 . PHE 32 32 5943 1 . ARG 33 33 5943 1 . CYS 34 34 5943 1 . PRO 35 35 5943 1 . ALA 36 36 5943 1 . GLY 37 37 5943 1 . GLY 38 38 5943 1 . ASN 39 39 5943 1 . PRO 40 40 5943 1 . MET 41 41 5943 1 . PRO 42 42 5943 1 . THR 43 43 5943 1 . MET 44 44 5943 1 . ARG 45 45 5943 1 . TRP 46 46 5943 1 . LEU 47 47 5943 1 . LYS 48 48 5943 1 . ASN 49 49 5943 1 . GLY 50 50 5943 1 . LYS 51 51 5943 1 . GLU 52 52 5943 1 . PHE 53 53 5943 1 . LYS 54 54 5943 1 . GLN 55 55 5943 1 . GLU 56 56 5943 1 . HIS 57 57 5943 1 . ARG 58 58 5943 1 . ILE 59 59 5943 1 . GLY 60 60 5943 1 . GLY 61 61 5943 1 . TYR 62 62 5943 1 . LYS 63 63 5943 1 . VAL 64 64 5943 1 . ARG 65 65 5943 1 . ASN 66 66 5943 1 . GLN 67 67 5943 1 . HIS 68 68 5943 1 . TRP 69 69 5943 1 . SER 70 70 5943 1 . LEU 71 71 5943 1 . ILE 72 72 5943 1 . MET 73 73 5943 1 . GLU 74 74 5943 1 . SER 75 75 5943 1 . VAL 76 76 5943 1 . VAL 77 77 5943 1 . PRO 78 78 5943 1 . SER 79 79 5943 1 . ASP 80 80 5943 1 . LYS 81 81 5943 1 . GLY 82 82 5943 1 . ASN 83 83 5943 1 . TYR 84 84 5943 1 . THR 85 85 5943 1 . CYS 86 86 5943 1 . VAL 87 87 5943 1 . VAL 88 88 5943 1 . GLU 89 89 5943 1 . ASN 90 90 5943 1 . GLU 91 91 5943 1 . TYR 92 92 5943 1 . GLY 93 93 5943 1 . SER 94 94 5943 1 . ILE 95 95 5943 1 . ASN 96 96 5943 1 . HIS 97 97 5943 1 . THR 98 98 5943 1 . TYR 99 99 5943 1 . HIS 100 100 5943 1 . LEU 101 101 5943 1 . ASP 102 102 5943 1 . VAL 103 103 5943 1 . VAL 104 104 5943 1 . LEU 105 105 5943 1 . VAL 106 106 5943 1 . PRO 107 107 5943 1 . ARG 108 108 5943 1 . GLY 109 109 5943 1 . SER 110 110 5943 1 . LEU 111 111 5943 1 . GLU 112 112 5943 1 . HIS 113 113 5943 1 . HIS 114 114 5943 1 . HIS 115 115 5943 1 . HIS 116 116 5943 1 . HIS 117 117 5943 1 . HIS 118 118 5943 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5943 _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 $FGFR . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5943 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 5943 _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 $FGFR . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5943 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5943 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Fibroblast growth factor receptor' '[U-13C; U-15U]' . . 1 $FGFR . . 1.5 1.0 1.5 mM . . . . 5943 1 2 phosphate . . . . . . . 20 . . mM . . . . 5943 1 3 NaCL . . . . . . . 50 . . mM . . . . 5943 1 4 'Ammonium sulfate' . . . . . . . 50 . . mM . . . . 5943 1 5 H2O . . . . . . . 90 . . % . . . . 5943 1 6 D2O . . . . . . . 10 . . % . . . . 5943 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5943 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . n/a 5943 1 temperature 298 . K 5943 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5943 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5943 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AVANCE . 600 . . . 5943 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 5943 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5943 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5943 1 3 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5943 1 4 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5943 1 5 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5943 1 6 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5943 1 7 '15N-edited HSQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5943 1 8 '13C-edited HSQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5943 1 9 TOCSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5943 1 10 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5943 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5943 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5943 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5943 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5943 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5943 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5943 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5943 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '15N-edited HSQC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5943 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '13C-edited HSQC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5943 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name TOCSY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5943 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5943 _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 TSP 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5943 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5943 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5943 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5943 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5943 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN CA C 13 51.05 0.05 . 1 . . . . . . . . 5943 1 2 . 1 1 2 2 ASN CB C 13 36.7 0.05 . 1 . . . . . . . . 5943 1 3 . 1 1 3 3 SER H H 1 8.506 0.05 . 1 . . . . . . . . 5943 1 4 . 1 1 3 3 SER HA H 1 4.635 0.05 . 1 . . . . . . . . 5943 1 5 . 1 1 3 3 SER C C 13 172.84 0.05 . 1 . . . . . . . . 5943 1 6 . 1 1 3 3 SER CA C 13 56.44 0.05 . 1 . . . . . . . . 5943 1 7 . 1 1 3 3 SER CB C 13 61.41 0.05 . 1 . . . . . . . . 5943 1 8 . 1 1 3 3 SER N N 15 117 0.05 . 1 . . . . . . . . 5943 1 9 . 1 1 4 4 ASN H H 1 8.478 0.05 . 1 . . . . . . . . 5943 1 10 . 1 1 4 4 ASN HA H 1 4.63 0.05 . 1 . . . . . . . . 5943 1 11 . 1 1 4 4 ASN HB2 H 1 2.71 0.05 . 2 . . . . . . . . 5943 1 12 . 1 1 4 4 ASN HB3 H 1 2.77 0.05 . 2 . . . . . . . . 5943 1 13 . 1 1 4 4 ASN HD21 H 1 7.635 0.05 . 2 . . . . . . . . 5943 1 14 . 1 1 4 4 ASN HD22 H 1 6.94 0.05 . 2 . . . . . . . . 5943 1 15 . 1 1 4 4 ASN C C 13 172.10 0.05 . 1 . . . . . . . . 5943 1 16 . 1 1 4 4 ASN CA C 13 51.05 0.05 . 1 . . . . . . . . 5943 1 17 . 1 1 4 4 ASN CB C 13 36.67 0.05 . 1 . . . . . . . . 5943 1 18 . 1 1 4 4 ASN N N 15 120.2 0.05 . 1 . . . . . . . . 5943 1 19 . 1 1 5 5 ASN H H 1 8.154 0.05 . 1 . . . . . . . . 5943 1 20 . 1 1 5 5 ASN HA H 1 4.601 0.05 . 1 . . . . . . . . 5943 1 21 . 1 1 5 5 ASN HB2 H 1 2.73 0.05 . 2 . . . . . . . . 5943 1 22 . 1 1 5 5 ASN HB3 H 1 2.78 0.05 . 2 . . . . . . . . 5943 1 23 . 1 1 5 5 ASN HD21 H 1 7.521 0.05 . 2 . . . . . . . . 5943 1 24 . 1 1 5 5 ASN HD22 H 1 6.844 0.05 . 2 . . . . . . . . 5943 1 25 . 1 1 5 5 ASN C C 13 172.63 0.05 . 1 . . . . . . . . 5943 1 26 . 1 1 5 5 ASN CA C 13 50.9 0.05 . 1 . . . . . . . . 5943 1 27 . 1 1 5 5 ASN CB C 13 36.36 0.05 . 1 . . . . . . . . 5943 1 28 . 1 1 5 5 ASN N N 15 118.3 0.05 . 1 . . . . . . . . 5943 1 29 . 1 1 6 6 LYS H H 1 8.004 0.05 . 1 . . . . . . . . 5943 1 30 . 1 1 6 6 LYS HA H 1 4.11 0.05 . 1 . . . . . . . . 5943 1 31 . 1 1 6 6 LYS HB2 H 1 1.33 0.05 . 1 . . . . . . . . 5943 1 32 . 1 1 6 6 LYS HB3 H 1 1.33 0.05 . 1 . . . . . . . . 5943 1 33 . 1 1 6 6 LYS HG2 H 1 0.9493 0.05 . 1 . . . . . . . . 5943 1 34 . 1 1 6 6 LYS HG3 H 1 0.9493 0.05 . 1 . . . . . . . . 5943 1 35 . 1 1 6 6 LYS HD2 H 1 1.201 0.05 . 1 . . . . . . . . 5943 1 36 . 1 1 6 6 LYS HD3 H 1 1.201 0.05 . 1 . . . . . . . . 5943 1 37 . 1 1 6 6 LYS HE2 H 1 2.716 0.05 . 1 . . . . . . . . 5943 1 38 . 1 1 6 6 LYS HE3 H 1 2.716 0.05 . 1 . . . . . . . . 5943 1 39 . 1 1 6 6 LYS C C 13 172.96 0.05 . 1 . . . . . . . . 5943 1 40 . 1 1 6 6 LYS CA C 13 53.89 0.05 . 1 . . . . . . . . 5943 1 41 . 1 1 6 6 LYS CB C 13 29.68 0.05 . 1 . . . . . . . . 5943 1 42 . 1 1 6 6 LYS N N 15 121.78 0.05 . 1 . . . . . . . . 5943 1 43 . 1 1 7 7 ARG H H 1 9.022 0.05 . 1 . . . . . . . . 5943 1 44 . 1 1 7 7 ARG HA H 1 4.478 0.05 . 1 . . . . . . . . 5943 1 45 . 1 1 7 7 ARG HB2 H 1 1.61 0.05 . 1 . . . . . . . . 5943 1 46 . 1 1 7 7 ARG HB3 H 1 1.61 0.05 . 1 . . . . . . . . 5943 1 47 . 1 1 7 7 ARG HG2 H 1 1.305 0.05 . 1 . . . . . . . . 5943 1 48 . 1 1 7 7 ARG HG3 H 1 1.305 0.05 . 1 . . . . . . . . 5943 1 49 . 1 1 7 7 ARG HD2 H 1 2.939 0.05 . 1 . . . . . . . . 5943 1 50 . 1 1 7 7 ARG HD3 H 1 2.939 0.05 . 1 . . . . . . . . 5943 1 51 . 1 1 7 7 ARG C C 13 173.75 0.05 . 1 . . . . . . . . 5943 1 52 . 1 1 7 7 ARG CA C 13 53.9 0.05 . 1 . . . . . . . . 5943 1 53 . 1 1 7 7 ARG CB C 13 30.8 0.05 . 1 . . . . . . . . 5943 1 54 . 1 1 7 7 ARG CD C 13 40.98 0.05 . 1 . . . . . . . . 5943 1 55 . 1 1 7 7 ARG N N 15 121.44 0.05 . 1 . . . . . . . . 5943 1 56 . 1 1 8 8 ALA H H 1 8.47 0.05 . 1 . . . . . . . . 5943 1 57 . 1 1 8 8 ALA HA H 1 4.524 0.05 . 1 . . . . . . . . 5943 1 58 . 1 1 8 8 ALA HB1 H 1 1.269 0.05 . 1 . . . . . . . . 5943 1 59 . 1 1 8 8 ALA HB2 H 1 1.269 0.05 . 1 . . . . . . . . 5943 1 60 . 1 1 8 8 ALA HB3 H 1 1.269 0.05 . 1 . . . . . . . . 5943 1 61 . 1 1 8 8 ALA CA C 13 48.81 0.05 . 1 . . . . . . . . 5943 1 62 . 1 1 8 8 ALA CB C 13 14.5 0.05 . 1 . . . . . . . . 5943 1 63 . 1 1 8 8 ALA N N 15 127.21 0.05 . 1 . . . . . . . . 5943 1 64 . 1 1 9 9 PRO HA H 1 4.911 0.05 . 1 . . . . . . . . 5943 1 65 . 1 1 9 9 PRO HB2 H 1 1.816 0.05 . 2 . . . . . . . . 5943 1 66 . 1 1 9 9 PRO HB3 H 1 2.125 0.05 . 2 . . . . . . . . 5943 1 67 . 1 1 9 9 PRO HG2 H 1 1.301 0.05 . 2 . . . . . . . . 5943 1 68 . 1 1 9 9 PRO HG3 H 1 1.594 0.05 . 2 . . . . . . . . 5943 1 69 . 1 1 9 9 PRO HD2 H 1 3.43 0.05 . 2 . . . . . . . . 5943 1 70 . 1 1 9 9 PRO HD3 H 1 3.838 0.05 . 2 . . . . . . . . 5943 1 71 . 1 1 9 9 PRO CA C 13 60.01 0.05 . 1 . . . . . . . . 5943 1 72 . 1 1 9 9 PRO CB C 13 30.23 0.05 . 1 . . . . . . . . 5943 1 73 . 1 1 10 10 TYR H H 1 7.332 0.05 . 1 . . . . . . . . 5943 1 74 . 1 1 10 10 TYR HA H 1 4.27 0.05 . 1 . . . . . . . . 5943 1 75 . 1 1 10 10 TYR HB2 H 1 2.728 0.05 . 1 . . . . . . . . 5943 1 76 . 1 1 10 10 TYR HB3 H 1 2.728 0.05 . 1 . . . . . . . . 5943 1 77 . 1 1 10 10 TYR HD1 H 1 7.074 0.05 . 1 . . . . . . . . 5943 1 78 . 1 1 10 10 TYR HD2 H 1 7.074 0.05 . 1 . . . . . . . . 5943 1 79 . 1 1 10 10 TYR HE1 H 1 6.817 0.05 . 1 . . . . . . . . 5943 1 80 . 1 1 10 10 TYR HE2 H 1 6.817 0.05 . 1 . . . . . . . . 5943 1 81 . 1 1 10 10 TYR C C 13 171.66 0.05 . 1 . . . . . . . . 5943 1 82 . 1 1 10 10 TYR CA C 13 51.99 0.05 . 1 . . . . . . . . 5943 1 83 . 1 1 10 10 TYR CB C 13 37.94 0.05 . 1 . . . . . . . . 5943 1 84 . 1 1 10 10 TYR N N 15 115.3 0.05 . 1 . . . . . . . . 5943 1 85 . 1 1 11 11 TRP H H 1 7.872 0.05 . 1 . . . . . . . . 5943 1 86 . 1 1 11 11 TRP HA H 1 5.313 0.05 . 1 . . . . . . . . 5943 1 87 . 1 1 11 11 TRP HB2 H 1 2.739 0.05 . 2 . . . . . . . . 5943 1 88 . 1 1 11 11 TRP HB3 H 1 3.332 0.05 . 2 . . . . . . . . 5943 1 89 . 1 1 11 11 TRP HD1 H 1 7.116 0.05 . 1 . . . . . . . . 5943 1 90 . 1 1 11 11 TRP HE1 H 1 10.08 0.05 . 1 . . . . . . . . 5943 1 91 . 1 1 11 11 TRP HE3 H 1 7.375 0.05 . 1 . . . . . . . . 5943 1 92 . 1 1 11 11 TRP HZ2 H 1 7.61 0.05 . 1 . . . . . . . . 5943 1 93 . 1 1 11 11 TRP HZ3 H 1 7.116 0.05 . 1 . . . . . . . . 5943 1 94 . 1 1 11 11 TRP HH2 H 1 6.816 0.05 . 1 . . . . . . . . 5943 1 95 . 1 1 11 11 TRP C C 13 170.55 0.05 . 1 . . . . . . . . 5943 1 96 . 1 1 11 11 TRP CA C 13 52.05 0.05 . 1 . . . . . . . . 5943 1 97 . 1 1 11 11 TRP CB C 13 29.16 0.05 . 1 . . . . . . . . 5943 1 98 . 1 1 11 11 TRP N N 15 118.44 0.05 . 1 . . . . . . . . 5943 1 99 . 1 1 12 12 THR H H 1 8.176 0.05 . 1 . . . . . . . . 5943 1 100 . 1 1 12 12 THR HA H 1 4.284 0.05 . 1 . . . . . . . . 5943 1 101 . 1 1 12 12 THR HB H 1 2.801 0.05 . 1 . . . . . . . . 5943 1 102 . 1 1 12 12 THR HG21 H 1 0.794 0.05 . 1 . . . . . . . . 5943 1 103 . 1 1 12 12 THR HG22 H 1 0.794 0.05 . 1 . . . . . . . . 5943 1 104 . 1 1 12 12 THR HG23 H 1 0.794 0.05 . 1 . . . . . . . . 5943 1 105 . 1 1 12 12 THR C C 13 176.36 0.05 . 1 . . . . . . . . 5943 1 106 . 1 1 12 12 THR CA C 13 59.74 0.05 . 1 . . . . . . . . 5943 1 107 . 1 1 12 12 THR CB C 13 66.67 0.05 . 1 . . . . . . . . 5943 1 108 . 1 1 12 12 THR CG2 C 13 19.17 0.05 . 1 . . . . . . . . 5943 1 109 . 1 1 12 12 THR N N 15 112.5 0.05 . 1 . . . . . . . . 5943 1 110 . 1 1 13 13 ASN H H 1 7.945 0.05 . 1 . . . . . . . . 5943 1 111 . 1 1 13 13 ASN HA H 1 4.914 0.05 . 1 . . . . . . . . 5943 1 112 . 1 1 13 13 ASN HB2 H 1 2.548 0.05 . 2 . . . . . . . . 5943 1 113 . 1 1 13 13 ASN HB3 H 1 2.756 0.05 . 2 . . . . . . . . 5943 1 114 . 1 1 13 13 ASN HD21 H 1 7.864 0.05 . 2 . . . . . . . . 5943 1 115 . 1 1 13 13 ASN HD22 H 1 7.005 0.05 . 2 . . . . . . . . 5943 1 116 . 1 1 13 13 ASN C C 13 173.02 0.05 . 1 . . . . . . . . 5943 1 117 . 1 1 13 13 ASN CA C 13 50.94 0.05 . 1 . . . . . . . . 5943 1 118 . 1 1 13 13 ASN CB C 13 36.7 0.05 . 1 . . . . . . . . 5943 1 119 . 1 1 13 13 ASN N N 15 119.91 0.05 . 1 . . . . . . . . 5943 1 120 . 1 1 14 14 THR H H 1 8.652 0.05 . 1 . . . . . . . . 5943 1 121 . 1 1 14 14 THR HA H 1 4.738 0.05 . 1 . . . . . . . . 5943 1 122 . 1 1 14 14 THR HB H 1 3.76 0.05 . 1 . . . . . . . . 5943 1 123 . 1 1 14 14 THR HG21 H 1 1.232 0.05 . 1 . . . . . . . . 5943 1 124 . 1 1 14 14 THR HG22 H 1 1.232 0.05 . 1 . . . . . . . . 5943 1 125 . 1 1 14 14 THR HG23 H 1 1.232 0.05 . 1 . . . . . . . . 5943 1 126 . 1 1 14 14 THR C C 13 172.93 0.05 . 1 . . . . . . . . 5943 1 127 . 1 1 14 14 THR CA C 13 62.25 0.05 . 1 . . . . . . . . 5943 1 128 . 1 1 14 14 THR CB C 13 65.97 0.05 . 1 . . . . . . . . 5943 1 129 . 1 1 14 14 THR CG2 C 13 19.82 0.05 . 1 . . . . . . . . 5943 1 130 . 1 1 14 14 THR N N 15 114.28 0.05 . 1 . . . . . . . . 5943 1 131 . 1 1 15 15 GLU H H 1 8.93 0.05 . 1 . . . . . . . . 5943 1 132 . 1 1 15 15 GLU HA H 1 4.189 0.05 . 1 . . . . . . . . 5943 1 133 . 1 1 15 15 GLU HB2 H 1 2.08 0.05 . 1 . . . . . . . . 5943 1 134 . 1 1 15 15 GLU HB3 H 1 2.08 0.05 . 1 . . . . . . . . 5943 1 135 . 1 1 15 15 GLU HG2 H 1 2.344 0.05 . 1 . . . . . . . . 5943 1 136 . 1 1 15 15 GLU HG3 H 1 2.344 0.05 . 1 . . . . . . . . 5943 1 137 . 1 1 15 15 GLU C C 13 175.07 0.05 . 1 . . . . . . . . 5943 1 138 . 1 1 15 15 GLU CA C 13 57.13 0.05 . 1 . . . . . . . . 5943 1 139 . 1 1 15 15 GLU CB C 13 26.28 0.05 . 1 . . . . . . . . 5943 1 140 . 1 1 15 15 GLU CG C 13 33.96 0.05 . 1 . . . . . . . . 5943 1 141 . 1 1 15 15 GLU N N 15 124.45 0.05 . 1 . . . . . . . . 5943 1 142 . 1 1 16 16 LYS H H 1 7.752 0.05 . 1 . . . . . . . . 5943 1 143 . 1 1 16 16 LYS HA H 1 4.261 0.05 . 1 . . . . . . . . 5943 1 144 . 1 1 16 16 LYS HB2 H 1 1.951 0.05 . 1 . . . . . . . . 5943 1 145 . 1 1 16 16 LYS HB3 H 1 1.951 0.05 . 1 . . . . . . . . 5943 1 146 . 1 1 16 16 LYS HG2 H 1 1.447 0.05 . 1 . . . . . . . . 5943 1 147 . 1 1 16 16 LYS HG3 H 1 1.447 0.05 . 1 . . . . . . . . 5943 1 148 . 1 1 16 16 LYS HD2 H 1 1.647 0.05 . 1 . . . . . . . . 5943 1 149 . 1 1 16 16 LYS HD3 H 1 1.647 0.05 . 1 . . . . . . . . 5943 1 150 . 1 1 16 16 LYS HE2 H 1 3.710 0.05 . 1 . . . . . . . . 5943 1 151 . 1 1 16 16 LYS HE3 H 1 3.710 0.05 . 1 . . . . . . . . 5943 1 152 . 1 1 16 16 LYS C C 13 176.59 0.05 . 1 . . . . . . . . 5943 1 153 . 1 1 16 16 LYS CA C 13 54.6 0.05 . 1 . . . . . . . . 5943 1 154 . 1 1 16 16 LYS CB C 13 29.97 0.05 . 1 . . . . . . . . 5943 1 155 . 1 1 16 16 LYS N N 15 116.96 0.05 . 1 . . . . . . . . 5943 1 156 . 1 1 17 17 MET H H 1 7.382 0.05 . 1 . . . . . . . . 5943 1 157 . 1 1 17 17 MET HA H 1 4.857 0.05 . 1 . . . . . . . . 5943 1 158 . 1 1 17 17 MET HB2 H 1 1.469 0.05 . 1 . . . . . . . . 5943 1 159 . 1 1 17 17 MET HB3 H 1 1.469 0.05 . 1 . . . . . . . . 5943 1 160 . 1 1 17 17 MET HG2 H 1 2.09 0.05 . 1 . . . . . . . . 5943 1 161 . 1 1 17 17 MET HG3 H 1 2.09 0.05 . 1 . . . . . . . . 5943 1 162 . 1 1 17 17 MET C C 13 174.34 0.05 . 1 . . . . . . . . 5943 1 163 . 1 1 17 17 MET CA C 13 53.16 0.05 . 1 . . . . . . . . 5943 1 164 . 1 1 17 17 MET CB C 13 31.02 0.05 . 1 . . . . . . . . 5943 1 165 . 1 1 17 17 MET CG C 13 28.76 0.05 . 1 . . . . . . . . 5943 1 166 . 1 1 17 17 MET N N 15 117.03 0.05 . 1 . . . . . . . . 5943 1 167 . 1 1 18 18 GLU H H 1 7.208 0.05 . 1 . . . . . . . . 5943 1 168 . 1 1 18 18 GLU HA H 1 4.096 0.05 . 1 . . . . . . . . 5943 1 169 . 1 1 18 18 GLU HB2 H 1 2.104 0.05 . 1 . . . . . . . . 5943 1 170 . 1 1 18 18 GLU HB3 H 1 2.104 0.05 . 1 . . . . . . . . 5943 1 171 . 1 1 18 18 GLU HG2 H 1 2.451 0.05 . 1 . . . . . . . . 5943 1 172 . 1 1 18 18 GLU HG3 H 1 2.451 0.05 . 1 . . . . . . . . 5943 1 173 . 1 1 18 18 GLU C C 13 173.62 0.05 . 1 . . . . . . . . 5943 1 174 . 1 1 18 18 GLU CA C 13 56.08 0.05 . 1 . . . . . . . . 5943 1 175 . 1 1 18 18 GLU CB C 13 28.06 0.05 . 1 . . . . . . . . 5943 1 176 . 1 1 18 18 GLU CG C 13 33.96 0.05 . 1 . . . . . . . . 5943 1 177 . 1 1 18 18 GLU N N 15 117.8 0.05 . 1 . . . . . . . . 5943 1 178 . 1 1 19 19 LYS H H 1 8.078 0.05 . 1 . . . . . . . . 5943 1 179 . 1 1 19 19 LYS HA H 1 4.42 0.05 . 1 . . . . . . . . 5943 1 180 . 1 1 19 19 LYS HB2 H 1 1.991 0.05 . 1 . . . . . . . . 5943 1 181 . 1 1 19 19 LYS HB3 H 1 1.991 0.05 . 1 . . . . . . . . 5943 1 182 . 1 1 19 19 LYS HG2 H 1 1.501 0.05 . 1 . . . . . . . . 5943 1 183 . 1 1 19 19 LYS HG3 H 1 1.501 0.05 . 1 . . . . . . . . 5943 1 184 . 1 1 19 19 LYS HD2 H 1 1.744 0.05 . 1 . . . . . . . . 5943 1 185 . 1 1 19 19 LYS HD3 H 1 1.744 0.05 . 1 . . . . . . . . 5943 1 186 . 1 1 19 19 LYS C C 13 174.83 0.05 . 1 . . . . . . . . 5943 1 187 . 1 1 19 19 LYS CA C 13 54.1 0.05 . 1 . . . . . . . . 5943 1 188 . 1 1 19 19 LYS CB C 13 29.43 0.05 . 1 . . . . . . . . 5943 1 189 . 1 1 19 19 LYS CD C 13 29.28 0.05 . 1 . . . . . . . . 5943 1 190 . 1 1 19 19 LYS N N 15 120.32 0.05 . 1 . . . . . . . . 5943 1 191 . 1 1 20 20 ARG H H 1 8.303 0.05 . 1 . . . . . . . . 5943 1 192 . 1 1 20 20 ARG HA H 1 4.741 0.05 . 1 . . . . . . . . 5943 1 193 . 1 1 20 20 ARG HB2 H 1 1.794 0.05 . 2 . . . . . . . . 5943 1 194 . 1 1 20 20 ARG HB3 H 1 1.994 0.05 . 2 . . . . . . . . 5943 1 195 . 1 1 20 20 ARG HG2 H 1 1.581 0.05 . 1 . . . . . . . . 5943 1 196 . 1 1 20 20 ARG HG3 H 1 1.581 0.05 . 1 . . . . . . . . 5943 1 197 . 1 1 20 20 ARG C C 13 173.19 0.05 . 1 . . . . . . . . 5943 1 198 . 1 1 20 20 ARG CA C 13 55.52 0.05 . 1 . . . . . . . . 5943 1 199 . 1 1 20 20 ARG CB C 13 28.77 0.05 . 1 . . . . . . . . 5943 1 200 . 1 1 20 20 ARG N N 15 125.68 0.05 . 1 . . . . . . . . 5943 1 201 . 1 1 21 21 LEU H H 1 8.047 0.05 . 1 . . . . . . . . 5943 1 202 . 1 1 21 21 LEU HA H 1 5.008 0.05 . 1 . . . . . . . . 5943 1 203 . 1 1 21 21 LEU HB2 H 1 1.667 0.05 . 2 . . . . . . . . 5943 1 204 . 1 1 21 21 LEU HB3 H 1 1.774 0.05 . 2 . . . . . . . . 5943 1 205 . 1 1 21 21 LEU HG H 1 1.39 0.05 . 1 . . . . . . . . 5943 1 206 . 1 1 21 21 LEU HD11 H 1 0.945 0.05 . 1 . . . . . . . . 5943 1 207 . 1 1 21 21 LEU HD12 H 1 0.945 0.05 . 1 . . . . . . . . 5943 1 208 . 1 1 21 21 LEU HD13 H 1 0.945 0.05 . 1 . . . . . . . . 5943 1 209 . 1 1 21 21 LEU HD21 H 1 0.945 0.05 . 1 . . . . . . . . 5943 1 210 . 1 1 21 21 LEU HD22 H 1 0.945 0.05 . 1 . . . . . . . . 5943 1 211 . 1 1 21 21 LEU HD23 H 1 0.945 0.05 . 1 . . . . . . . . 5943 1 212 . 1 1 21 21 LEU C C 13 173.73 0.05 . 1 . . . . . . . . 5943 1 213 . 1 1 21 21 LEU CA C 13 52.72 0.05 . 1 . . . . . . . . 5943 1 214 . 1 1 21 21 LEU CB C 13 40.3 0.05 . 1 . . . . . . . . 5943 1 215 . 1 1 21 21 LEU CD1 C 13 22.29 0.05 . 1 . . . . . . . . 5943 1 216 . 1 1 21 21 LEU CD2 C 13 22.29 0.05 . 1 . . . . . . . . 5943 1 217 . 1 1 21 21 LEU N N 15 121.68 0.05 . 1 . . . . . . . . 5943 1 218 . 1 1 22 22 HIS H H 1 9.184 0.05 . 1 . . . . . . . . 5943 1 219 . 1 1 22 22 HIS HA H 1 4.744 0.05 . 1 . . . . . . . . 5943 1 220 . 1 1 22 22 HIS HB2 H 1 2.922 0.05 . 2 . . . . . . . . 5943 1 221 . 1 1 22 22 HIS HB3 H 1 3.207 0.05 . 2 . . . . . . . . 5943 1 222 . 1 1 22 22 HIS HD2 H 1 7.015 0.05 . 1 . . . . . . . . 5943 1 223 . 1 1 22 22 HIS HE1 H 1 7.973 0.05 . 1 . . . . . . . . 5943 1 224 . 1 1 22 22 HIS C C 13 173.38 0.05 . 1 . . . . . . . . 5943 1 225 . 1 1 22 22 HIS CA C 13 53.18 0.05 . 1 . . . . . . . . 5943 1 226 . 1 1 22 22 HIS CB C 13 30.44 0.05 . 1 . . . . . . . . 5943 1 227 . 1 1 22 22 HIS N N 15 125.35 0.05 . 1 . . . . . . . . 5943 1 228 . 1 1 23 23 ALA H H 1 8.717 0.05 . 1 . . . . . . . . 5943 1 229 . 1 1 23 23 ALA HA H 1 5.23 0.05 . 1 . . . . . . . . 5943 1 230 . 1 1 23 23 ALA HB1 H 1 1.24 0.05 . 1 . . . . . . . . 5943 1 231 . 1 1 23 23 ALA HB2 H 1 1.24 0.05 . 1 . . . . . . . . 5943 1 232 . 1 1 23 23 ALA HB3 H 1 1.24 0.05 . 1 . . . . . . . . 5943 1 233 . 1 1 23 23 ALA C C 13 170.94 0.05 . 1 . . . . . . . . 5943 1 234 . 1 1 23 23 ALA CA C 13 48.52 0.05 . 1 . . . . . . . . 5943 1 235 . 1 1 23 23 ALA CB C 13 16.42 0.05 . 1 . . . . . . . . 5943 1 236 . 1 1 23 23 ALA N N 15 128.96 0.05 . 1 . . . . . . . . 5943 1 237 . 1 1 24 24 VAL H H 1 8.473 0.05 . 1 . . . . . . . . 5943 1 238 . 1 1 24 24 VAL HA H 1 4.732 0.05 . 1 . . . . . . . . 5943 1 239 . 1 1 24 24 VAL HB H 1 1.846 0.05 . 1 . . . . . . . . 5943 1 240 . 1 1 24 24 VAL HG11 H 1 0.818 0.05 . 1 . . . . . . . . 5943 1 241 . 1 1 24 24 VAL HG12 H 1 0.818 0.05 . 1 . . . . . . . . 5943 1 242 . 1 1 24 24 VAL HG13 H 1 0.818 0.05 . 1 . . . . . . . . 5943 1 243 . 1 1 24 24 VAL HG21 H 1 0.818 0.05 . 1 . . . . . . . . 5943 1 244 . 1 1 24 24 VAL HG22 H 1 0.818 0.05 . 1 . . . . . . . . 5943 1 245 . 1 1 24 24 VAL HG23 H 1 0.818 0.05 . 1 . . . . . . . . 5943 1 246 . 1 1 24 24 VAL C C 13 174.08 0.05 . 1 . . . . . . . . 5943 1 247 . 1 1 24 24 VAL CA C 13 56 0.05 . 1 . . . . . . . . 5943 1 248 . 1 1 24 24 VAL CB C 13 32.78 0.05 . 1 . . . . . . . . 5943 1 249 . 1 1 24 24 VAL N N 15 123.26 0.05 . 1 . . . . . . . . 5943 1 250 . 1 1 25 25 PRO HA H 1 4.905 0.05 . 1 . . . . . . . . 5943 1 251 . 1 1 25 25 PRO HB2 H 1 1.594 0.05 . 2 . . . . . . . . 5943 1 252 . 1 1 25 25 PRO HB3 H 1 1.86 0.05 . 2 . . . . . . . . 5943 1 253 . 1 1 25 25 PRO HG2 H 1 1.301 0.05 . 1 . . . . . . . . 5943 1 254 . 1 1 25 25 PRO HG3 H 1 1.301 0.05 . 1 . . . . . . . . 5943 1 255 . 1 1 25 25 PRO CA C 13 59.78 0.05 . 1 . . . . . . . . 5943 1 256 . 1 1 25 25 PRO CB C 13 28.68 0.05 . 1 . . . . . . . . 5943 1 257 . 1 1 26 26 ALA H H 1 8.023 0.05 . 1 . . . . . . . . 5943 1 258 . 1 1 26 26 ALA HA H 1 3.716 0.05 . 1 . . . . . . . . 5943 1 259 . 1 1 26 26 ALA HB1 H 1 1.297 0.05 . 1 . . . . . . . . 5943 1 260 . 1 1 26 26 ALA HB2 H 1 1.297 0.05 . 1 . . . . . . . . 5943 1 261 . 1 1 26 26 ALA HB3 H 1 1.297 0.05 . 1 . . . . . . . . 5943 1 262 . 1 1 26 26 ALA C C 13 173.58 0.05 . 1 . . . . . . . . 5943 1 263 . 1 1 26 26 ALA CA C 13 51.06 0.05 . 1 . . . . . . . . 5943 1 264 . 1 1 26 26 ALA CB C 13 15.73 0.05 . 1 . . . . . . . . 5943 1 265 . 1 1 26 26 ALA N N 15 123.21 0.05 . 1 . . . . . . . . 5943 1 266 . 1 1 27 27 ALA H H 1 9.534 0.05 . 1 . . . . . . . . 5943 1 267 . 1 1 27 27 ALA HA H 1 3.766 0.05 . 1 . . . . . . . . 5943 1 268 . 1 1 27 27 ALA HB1 H 1 1.61 0.05 . 1 . . . . . . . . 5943 1 269 . 1 1 27 27 ALA HB2 H 1 1.61 0.05 . 1 . . . . . . . . 5943 1 270 . 1 1 27 27 ALA HB3 H 1 1.61 0.05 . 1 . . . . . . . . 5943 1 271 . 1 1 27 27 ALA C C 13 175.24 0.05 . 1 . . . . . . . . 5943 1 272 . 1 1 27 27 ALA CA C 13 52.77 0.05 . 1 . . . . . . . . 5943 1 273 . 1 1 27 27 ALA CB C 13 14.62 0.05 . 1 . . . . . . . . 5943 1 274 . 1 1 27 27 ALA N N 15 118.21 0.05 . 1 . . . . . . . . 5943 1 275 . 1 1 28 28 ASN H H 1 7.684 0.05 . 1 . . . . . . . . 5943 1 276 . 1 1 28 28 ASN HA H 1 4.793 0.05 . 1 . . . . . . . . 5943 1 277 . 1 1 28 28 ASN HB2 H 1 2.665 0.05 . 2 . . . . . . . . 5943 1 278 . 1 1 28 28 ASN HB3 H 1 3.006 0.05 . 2 . . . . . . . . 5943 1 279 . 1 1 28 28 ASN HD21 H 1 7.341 0.05 . 2 . . . . . . . . 5943 1 280 . 1 1 28 28 ASN HD22 H 1 7.134 0.05 . 2 . . . . . . . . 5943 1 281 . 1 1 28 28 ASN C C 13 175.16 0.05 . 1 . . . . . . . . 5943 1 282 . 1 1 28 28 ASN CA C 13 50.8 0.05 . 1 . . . . . . . . 5943 1 283 . 1 1 28 28 ASN CB C 13 37.4 0.05 . 1 . . . . . . . . 5943 1 284 . 1 1 28 28 ASN N N 15 120.26 0.05 . 1 . . . . . . . . 5943 1 285 . 1 1 29 29 THR H H 1 8.581 0.05 . 1 . . . . . . . . 5943 1 286 . 1 1 29 29 THR HA H 1 4.871 0.05 . 1 . . . . . . . . 5943 1 287 . 1 1 29 29 THR HB H 1 3.849 0.05 . 1 . . . . . . . . 5943 1 288 . 1 1 29 29 THR HG21 H 1 0.884 0.05 . 1 . . . . . . . . 5943 1 289 . 1 1 29 29 THR HG22 H 1 0.884 0.05 . 1 . . . . . . . . 5943 1 290 . 1 1 29 29 THR HG23 H 1 0.884 0.05 . 1 . . . . . . . . 5943 1 291 . 1 1 29 29 THR C C 13 171.51 0.05 . 1 . . . . . . . . 5943 1 292 . 1 1 29 29 THR CA C 13 59.82 0.05 . 1 . . . . . . . . 5943 1 293 . 1 1 29 29 THR CB C 13 68.32 0.05 . 1 . . . . . . . . 5943 1 294 . 1 1 29 29 THR N N 15 116.19 0.05 . 1 . . . . . . . . 5943 1 295 . 1 1 30 30 VAL H H 1 8.527 0.05 . 1 . . . . . . . . 5943 1 296 . 1 1 30 30 VAL HA H 1 4.108 0.05 . 1 . . . . . . . . 5943 1 297 . 1 1 30 30 VAL HB H 1 1.616 0.05 . 1 . . . . . . . . 5943 1 298 . 1 1 30 30 VAL HG11 H 1 0.064 0.05 . 2 . . . . . . . . 5943 1 299 . 1 1 30 30 VAL HG12 H 1 0.064 0.05 . 2 . . . . . . . . 5943 1 300 . 1 1 30 30 VAL HG13 H 1 0.064 0.05 . 2 . . . . . . . . 5943 1 301 . 1 1 30 30 VAL HG21 H 1 0.355 0.05 . 2 . . . . . . . . 5943 1 302 . 1 1 30 30 VAL HG22 H 1 0.355 0.05 . 2 . . . . . . . . 5943 1 303 . 1 1 30 30 VAL HG23 H 1 0.355 0.05 . 2 . . . . . . . . 5943 1 304 . 1 1 30 30 VAL C C 13 171.34 0.05 . 1 . . . . . . . . 5943 1 305 . 1 1 30 30 VAL CA C 13 57.7 0.05 . 1 . . . . . . . . 5943 1 306 . 1 1 30 30 VAL CB C 13 32.48 0.05 . 1 . . . . . . . . 5943 1 307 . 1 1 30 30 VAL N N 15 126.17 0.05 . 1 . . . . . . . . 5943 1 308 . 1 1 31 31 LYS H H 1 7.576 0.05 . 1 . . . . . . . . 5943 1 309 . 1 1 31 31 LYS HA H 1 4.991 0.05 . 1 . . . . . . . . 5943 1 310 . 1 1 31 31 LYS HB2 H 1 1.666 0.05 . 2 . . . . . . . . 5943 1 311 . 1 1 31 31 LYS HB3 H 1 1.874 0.05 . 2 . . . . . . . . 5943 1 312 . 1 1 31 31 LYS HG2 H 1 0.979 0.05 . 2 . . . . . . . . 5943 1 313 . 1 1 31 31 LYS HG3 H 1 1.131 0.05 . 2 . . . . . . . . 5943 1 314 . 1 1 31 31 LYS HD2 H 1 1.342 0.05 . 1 . . . . . . . . 5943 1 315 . 1 1 31 31 LYS HD3 H 1 1.342 0.05 . 1 . . . . . . . . 5943 1 316 . 1 1 31 31 LYS HE2 H 1 2.868 0.05 . 2 . . . . . . . . 5943 1 317 . 1 1 31 31 LYS HE3 H 1 3.071 0.05 . 2 . . . . . . . . 5943 1 318 . 1 1 31 31 LYS C C 13 168.57 0.05 . 1 . . . . . . . . 5943 1 319 . 1 1 31 31 LYS CA C 13 51.42 0.05 . 1 . . . . . . . . 5943 1 320 . 1 1 31 31 LYS CB C 13 32.51 0.05 . 1 . . . . . . . . 5943 1 321 . 1 1 31 31 LYS N N 15 124.84 0.05 . 1 . . . . . . . . 5943 1 322 . 1 1 32 32 PHE H H 1 8.691 0.05 . 1 . . . . . . . . 5943 1 323 . 1 1 32 32 PHE HA H 1 4.776 0.05 . 1 . . . . . . . . 5943 1 324 . 1 1 32 32 PHE HB2 H 1 2.328 0.05 . 2 . . . . . . . . 5943 1 325 . 1 1 32 32 PHE HB3 H 1 2.986 0.05 . 2 . . . . . . . . 5943 1 326 . 1 1 32 32 PHE HD1 H 1 7.93 0.05 . 1 . . . . . . . . 5943 1 327 . 1 1 32 32 PHE HD2 H 1 7.93 0.05 . 1 . . . . . . . . 5943 1 328 . 1 1 32 32 PHE HE1 H 1 6.049 0.05 . 1 . . . . . . . . 5943 1 329 . 1 1 32 32 PHE HE2 H 1 6.049 0.05 . 1 . . . . . . . . 5943 1 330 . 1 1 32 32 PHE C C 13 172.35 0.05 . 1 . . . . . . . . 5943 1 331 . 1 1 32 32 PHE CA C 13 51.69 0.05 . 1 . . . . . . . . 5943 1 332 . 1 1 32 32 PHE CB C 13 40.53 0.05 . 1 . . . . . . . . 5943 1 333 . 1 1 32 32 PHE N N 15 123.18 0.05 . 1 . . . . . . . . 5943 1 334 . 1 1 33 33 ARG H H 1 8.606 0.05 . 1 . . . . . . . . 5943 1 335 . 1 1 33 33 ARG HA H 1 5.694 0.05 . 1 . . . . . . . . 5943 1 336 . 1 1 33 33 ARG HB2 H 1 1.752 0.05 . 2 . . . . . . . . 5943 1 337 . 1 1 33 33 ARG HB3 H 1 1.849 0.05 . 2 . . . . . . . . 5943 1 338 . 1 1 33 33 ARG HG2 H 1 1.57 0.05 . 1 . . . . . . . . 5943 1 339 . 1 1 33 33 ARG HG3 H 1 1.57 0.05 . 1 . . . . . . . . 5943 1 340 . 1 1 33 33 ARG HD2 H 1 2.944 0.05 . 2 . . . . . . . . 5943 1 341 . 1 1 33 33 ARG HD3 H 1 3.223 0.05 . 2 . . . . . . . . 5943 1 342 . 1 1 33 33 ARG C C 13 173.07 0.05 . 1 . . . . . . . . 5943 1 343 . 1 1 33 33 ARG CA C 13 52.43 0.05 . 1 . . . . . . . . 5943 1 344 . 1 1 33 33 ARG CB C 13 31.34 0.05 . 1 . . . . . . . . 5943 1 345 . 1 1 33 33 ARG CD C 13 40.83 0.05 . 1 . . . . . . . . 5943 1 346 . 1 1 33 33 ARG N N 15 117.9 0.05 . 1 . . . . . . . . 5943 1 347 . 1 1 34 34 CYS H H 1 9.348 0.05 . 1 . . . . . . . . 5943 1 348 . 1 1 34 34 CYS HA H 1 4.735 0.05 . 1 . . . . . . . . 5943 1 349 . 1 1 34 34 CYS HB2 H 1 3.416 0.05 . 2 . . . . . . . . 5943 1 350 . 1 1 34 34 CYS HB3 H 1 3.53 0.05 . 2 . . . . . . . . 5943 1 351 . 1 1 34 34 CYS C C 13 173.96 0.05 . 1 . . . . . . . . 5943 1 352 . 1 1 34 34 CYS CA C 13 51.27 0.05 . 1 . . . . . . . . 5943 1 353 . 1 1 34 34 CYS CB C 13 44.82 0.05 . 1 . . . . . . . . 5943 1 354 . 1 1 34 34 CYS N N 15 121.9 0.05 . 1 . . . . . . . . 5943 1 355 . 1 1 35 35 PRO HA H 1 4.716 0.05 . 1 . . . . . . . . 5943 1 356 . 1 1 35 35 PRO HG2 H 1 2.046 0.05 . 1 . . . . . . . . 5943 1 357 . 1 1 35 35 PRO HG3 H 1 2.046 0.05 . 1 . . . . . . . . 5943 1 358 . 1 1 35 35 PRO HD2 H 1 3.194 0.05 . 1 . . . . . . . . 5943 1 359 . 1 1 35 35 PRO HD3 H 1 3.194 0.05 . 1 . . . . . . . . 5943 1 360 . 1 1 36 36 ALA HA H 1 4.953 0.05 . 1 . . . . . . . . 5943 1 361 . 1 1 36 36 ALA HB1 H 1 0.334 0.05 . 1 . . . . . . . . 5943 1 362 . 1 1 36 36 ALA HB2 H 1 0.334 0.05 . 1 . . . . . . . . 5943 1 363 . 1 1 36 36 ALA HB3 H 1 0.334 0.05 . 1 . . . . . . . . 5943 1 364 . 1 1 36 36 ALA CA C 13 47.85 0.05 . 1 . . . . . . . . 5943 1 365 . 1 1 36 36 ALA CB C 13 21.42 0.05 . 1 . . . . . . . . 5943 1 366 . 1 1 37 37 GLY H H 1 7.578 0.05 . 1 . . . . . . . . 5943 1 367 . 1 1 37 37 GLY HA2 H 1 2.766 0.05 . 2 . . . . . . . . 5943 1 368 . 1 1 37 37 GLY HA3 H 1 4.066 0.05 . 2 . . . . . . . . 5943 1 369 . 1 1 37 37 GLY C C 13 172.82 0.05 . 1 . . . . . . . . 5943 1 370 . 1 1 37 37 GLY CA C 13 40.66 0.05 . 1 . . . . . . . . 5943 1 371 . 1 1 37 37 GLY N N 15 104.86 0.05 . 1 . . . . . . . . 5943 1 372 . 1 1 38 38 GLY H H 1 7.691 0.05 . 1 . . . . . . . . 5943 1 373 . 1 1 38 38 GLY HA2 H 1 3.45 0.05 . 2 . . . . . . . . 5943 1 374 . 1 1 38 38 GLY HA3 H 1 3.771 0.05 . 2 . . . . . . . . 5943 1 375 . 1 1 38 38 GLY C C 13 168.35 0.05 . 1 . . . . . . . . 5943 1 376 . 1 1 38 38 GLY CA C 13 42.31 0.05 . 1 . . . . . . . . 5943 1 377 . 1 1 38 38 GLY N N 15 103 0.05 . 1 . . . . . . . . 5943 1 378 . 1 1 39 39 ASN H H 1 8.354 0.05 . 1 . . . . . . . . 5943 1 379 . 1 1 39 39 ASN HA H 1 4.853 0.05 . 1 . . . . . . . . 5943 1 380 . 1 1 39 39 ASN HB2 H 1 2.674 0.05 . 2 . . . . . . . . 5943 1 381 . 1 1 39 39 ASN HB3 H 1 2.929 0.05 . 2 . . . . . . . . 5943 1 382 . 1 1 39 39 ASN HD21 H 1 7.227 0.05 . 2 . . . . . . . . 5943 1 383 . 1 1 39 39 ASN HD22 H 1 6.884 0.05 . 2 . . . . . . . . 5943 1 384 . 1 1 39 39 ASN C C 13 168.23 0.05 . 1 . . . . . . . . 5943 1 385 . 1 1 39 39 ASN CA C 13 48.59 0.05 . 1 . . . . . . . . 5943 1 386 . 1 1 39 39 ASN CB C 13 38.56 0.05 . 1 . . . . . . . . 5943 1 387 . 1 1 39 39 ASN N N 15 116.93 0.05 . 1 . . . . . . . . 5943 1 388 . 1 1 40 40 PRO HA H 1 4.827 0.05 . 1 . . . . . . . . 5943 1 389 . 1 1 40 40 PRO HB2 H 1 2.944 0.05 . 2 . . . . . . . . 5943 1 390 . 1 1 40 40 PRO HB3 H 1 2.698 0.05 . 2 . . . . . . . . 5943 1 391 . 1 1 40 40 PRO HG2 H 1 2.095 0.05 . 1 . . . . . . . . 5943 1 392 . 1 1 40 40 PRO HG3 H 1 2.095 0.05 . 1 . . . . . . . . 5943 1 393 . 1 1 40 40 PRO HD2 H 1 4.004 0.05 . 1 . . . . . . . . 5943 1 394 . 1 1 40 40 PRO HD3 H 1 4.004 0.05 . 1 . . . . . . . . 5943 1 395 . 1 1 40 40 PRO CA C 13 60.88 0.05 . 1 . . . . . . . . 5943 1 396 . 1 1 40 40 PRO CB C 13 32.57 0.05 . 1 . . . . . . . . 5943 1 397 . 1 1 40 40 PRO CG C 13 31.11 0.05 . 1 . . . . . . . . 5943 1 398 . 1 1 40 40 PRO CD C 13 53.07 0.05 . 1 . . . . . . . . 5943 1 399 . 1 1 41 41 MET H H 1 8.762 0.05 . 1 . . . . . . . . 5943 1 400 . 1 1 41 41 MET HA H 1 4.495 0.05 . 1 . . . . . . . . 5943 1 401 . 1 1 41 41 MET HB2 H 1 2.124 0.05 . 2 . . . . . . . . 5943 1 402 . 1 1 41 41 MET HB3 H 1 2.245 0.05 . 2 . . . . . . . . 5943 1 403 . 1 1 41 41 MET HG2 H 1 2.87 0.05 . 1 . . . . . . . . 5943 1 404 . 1 1 41 41 MET HG3 H 1 2.87 0.05 . 1 . . . . . . . . 5943 1 405 . 1 1 41 41 MET C C 13 173.55 0.05 . 1 . . . . . . . . 5943 1 406 . 1 1 41 41 MET CA C 13 51.45 0.05 . 1 . . . . . . . . 5943 1 407 . 1 1 41 41 MET CB C 13 29.44 0.05 . 1 . . . . . . . . 5943 1 408 . 1 1 41 41 MET CG C 13 28.81 0.05 . 1 . . . . . . . . 5943 1 409 . 1 1 41 41 MET N N 15 122.6 0.05 . 1 . . . . . . . . 5943 1 410 . 1 1 42 42 PRO HA H 1 4.715 0.05 . 1 . . . . . . . . 5943 1 411 . 1 1 42 42 PRO HB2 H 1 2.092 0.05 . 2 . . . . . . . . 5943 1 412 . 1 1 42 42 PRO HB3 H 1 2.227 0.05 . 2 . . . . . . . . 5943 1 413 . 1 1 42 42 PRO HG2 H 1 1.882 0.05 . 1 . . . . . . . . 5943 1 414 . 1 1 42 42 PRO HG3 H 1 1.882 0.05 . 1 . . . . . . . . 5943 1 415 . 1 1 42 42 PRO HD2 H 1 3.882 0.05 . 1 . . . . . . . . 5943 1 416 . 1 1 42 42 PRO HD3 H 1 3.882 0.05 . 1 . . . . . . . . 5943 1 417 . 1 1 42 42 PRO CA C 13 60.09 0.05 . 1 . . . . . . . . 5943 1 418 . 1 1 42 42 PRO CB C 13 31.82 0.05 . 1 . . . . . . . . 5943 1 419 . 1 1 43 43 THR H H 1 8.769 0.05 . 1 . . . . . . . . 5943 1 420 . 1 1 43 43 THR HA H 1 4.567 0.05 . 1 . . . . . . . . 5943 1 421 . 1 1 43 43 THR HB H 1 4.328 0.05 . 1 . . . . . . . . 5943 1 422 . 1 1 43 43 THR HG21 H 1 1.279 0.05 . 1 . . . . . . . . 5943 1 423 . 1 1 43 43 THR HG22 H 1 1.279 0.05 . 1 . . . . . . . . 5943 1 424 . 1 1 43 43 THR HG23 H 1 1.279 0.05 . 1 . . . . . . . . 5943 1 425 . 1 1 43 43 THR C C 13 172.72 0.05 . 1 . . . . . . . . 5943 1 426 . 1 1 43 43 THR CA C 13 58.31 0.05 . 1 . . . . . . . . 5943 1 427 . 1 1 43 43 THR CB C 13 68.9 0.05 . 1 . . . . . . . . 5943 1 428 . 1 1 43 43 THR CG2 C 13 19.35 0.05 . 1 . . . . . . . . 5943 1 429 . 1 1 43 43 THR N N 15 109.48 0.05 . 1 . . . . . . . . 5943 1 430 . 1 1 44 44 MET H H 1 8.714 0.05 . 1 . . . . . . . . 5943 1 431 . 1 1 44 44 MET HA H 1 5.582 0.05 . 1 . . . . . . . . 5943 1 432 . 1 1 44 44 MET HB2 H 1 2.15 0.05 . 1 . . . . . . . . 5943 1 433 . 1 1 44 44 MET HB3 H 1 2.15 0.05 . 1 . . . . . . . . 5943 1 434 . 1 1 44 44 MET HG2 H 1 2.301 0.05 . 1 . . . . . . . . 5943 1 435 . 1 1 44 44 MET HG3 H 1 2.301 0.05 . 1 . . . . . . . . 5943 1 436 . 1 1 44 44 MET C C 13 171.22 0.05 . 1 . . . . . . . . 5943 1 437 . 1 1 44 44 MET CA C 13 52.17 0.05 . 1 . . . . . . . . 5943 1 438 . 1 1 44 44 MET CB C 13 34.39 0.05 . 1 . . . . . . . . 5943 1 439 . 1 1 44 44 MET N N 15 120.52 0.05 . 1 . . . . . . . . 5943 1 440 . 1 1 45 45 ARG H H 1 8.874 0.05 . 1 . . . . . . . . 5943 1 441 . 1 1 45 45 ARG HA H 1 4.861 0.05 . 1 . . . . . . . . 5943 1 442 . 1 1 45 45 ARG HB2 H 1 1.649 0.05 . 2 . . . . . . . . 5943 1 443 . 1 1 45 45 ARG HB3 H 1 1.841 0.05 . 2 . . . . . . . . 5943 1 444 . 1 1 45 45 ARG HG2 H 1 1.425 0.05 . 1 . . . . . . . . 5943 1 445 . 1 1 45 45 ARG HG3 H 1 1.425 0.05 . 1 . . . . . . . . 5943 1 446 . 1 1 45 45 ARG HD2 H 1 3.148 0.05 . 1 . . . . . . . . 5943 1 447 . 1 1 45 45 ARG HD3 H 1 3.148 0.05 . 1 . . . . . . . . 5943 1 448 . 1 1 45 45 ARG C C 13 172.13 0.05 . 1 . . . . . . . . 5943 1 449 . 1 1 45 45 ARG CA C 13 52.3 0.05 . 1 . . . . . . . . 5943 1 450 . 1 1 45 45 ARG CB C 13 30.96 0.05 . 1 . . . . . . . . 5943 1 451 . 1 1 45 45 ARG N N 15 125.1 0.05 . 1 . . . . . . . . 5943 1 452 . 1 1 46 46 TRP H H 1 8.788 0.05 . 1 . . . . . . . . 5943 1 453 . 1 1 46 46 TRP HA H 1 5.628 0.05 . 1 . . . . . . . . 5943 1 454 . 1 1 46 46 TRP HB2 H 1 3.06 0.05 . 2 . . . . . . . . 5943 1 455 . 1 1 46 46 TRP HB3 H 1 3.134 0.05 . 2 . . . . . . . . 5943 1 456 . 1 1 46 46 TRP HD1 H 1 7.245 0.05 . 1 . . . . . . . . 5943 1 457 . 1 1 46 46 TRP HE1 H 1 10.15 0.05 . 1 . . . . . . . . 5943 1 458 . 1 1 46 46 TRP HZ2 H 1 7.996 0.05 . 1 . . . . . . . . 5943 1 459 . 1 1 46 46 TRP HZ3 H 1 7.245 0.05 . 1 . . . . . . . . 5943 1 460 . 1 1 46 46 TRP HH2 H 1 6.792 0.05 . 1 . . . . . . . . 5943 1 461 . 1 1 46 46 TRP C C 13 171.02 0.05 . 1 . . . . . . . . 5943 1 462 . 1 1 46 46 TRP CA C 13 54.06 0.05 . 1 . . . . . . . . 5943 1 463 . 1 1 46 46 TRP CB C 13 29.32 0.05 . 1 . . . . . . . . 5943 1 464 . 1 1 46 46 TRP N N 15 119.03 0.05 . 1 . . . . . . . . 5943 1 465 . 1 1 47 47 LEU H H 1 9.668 0.05 . 1 . . . . . . . . 5943 1 466 . 1 1 47 47 LEU HA H 1 4.989 0.05 . 1 . . . . . . . . 5943 1 467 . 1 1 47 47 LEU HB2 H 1 1.437 0.05 . 1 . . . . . . . . 5943 1 468 . 1 1 47 47 LEU HB3 H 1 1.437 0.05 . 1 . . . . . . . . 5943 1 469 . 1 1 47 47 LEU HG H 1 1.125 0.05 . 1 . . . . . . . . 5943 1 470 . 1 1 47 47 LEU HD11 H 1 0.616 0.05 . 1 . . . . . . . . 5943 1 471 . 1 1 47 47 LEU HD12 H 1 0.616 0.05 . 1 . . . . . . . . 5943 1 472 . 1 1 47 47 LEU HD13 H 1 0.616 0.05 . 1 . . . . . . . . 5943 1 473 . 1 1 47 47 LEU HD21 H 1 0.947 0.05 . 1 . . . . . . . . 5943 1 474 . 1 1 47 47 LEU HD22 H 1 0.947 0.05 . 1 . . . . . . . . 5943 1 475 . 1 1 47 47 LEU HD23 H 1 0.947 0.05 . 1 . . . . . . . . 5943 1 476 . 1 1 47 47 LEU C C 13 173.20 0.05 . 1 . . . . . . . . 5943 1 477 . 1 1 47 47 LEU CA C 13 50.44 0.05 . 1 . . . . . . . . 5943 1 478 . 1 1 47 47 LEU CB C 13 41.64 0.05 . 1 . . . . . . . . 5943 1 479 . 1 1 47 47 LEU CD1 C 13 22.84 0.05 . 1 . . . . . . . . 5943 1 480 . 1 1 47 47 LEU CD2 C 13 22.84 0.05 . 1 . . . . . . . . 5943 1 481 . 1 1 47 47 LEU N N 15 121.45 0.05 . 1 . . . . . . . . 5943 1 482 . 1 1 48 48 LYS H H 1 8.833 0.05 . 1 . . . . . . . . 5943 1 483 . 1 1 48 48 LYS HA H 1 4.551 0.05 . 1 . . . . . . . . 5943 1 484 . 1 1 48 48 LYS HB2 H 1 1.458 0.05 . 1 . . . . . . . . 5943 1 485 . 1 1 48 48 LYS HB3 H 1 1.458 0.05 . 1 . . . . . . . . 5943 1 486 . 1 1 48 48 LYS HG2 H 1 0.554 0.05 . 2 . . . . . . . . 5943 1 487 . 1 1 48 48 LYS HG3 H 1 0.604 0.05 . 2 . . . . . . . . 5943 1 488 . 1 1 48 48 LYS HD2 H 1 1.07 0.05 . 1 . . . . . . . . 5943 1 489 . 1 1 48 48 LYS HD3 H 1 1.07 0.05 . 1 . . . . . . . . 5943 1 490 . 1 1 48 48 LYS HE2 H 1 3.068 0.05 . 2 . . . . . . . . 5943 1 491 . 1 1 48 48 LYS HE3 H 1 3.108 0.05 . 2 . . . . . . . . 5943 1 492 . 1 1 48 48 LYS C C 13 173.94 0.05 . 1 . . . . . . . . 5943 1 493 . 1 1 48 48 LYS CA C 13 51.93 0.05 . 1 . . . . . . . . 5943 1 494 . 1 1 48 48 LYS CB C 13 32.06 0.05 . 1 . . . . . . . . 5943 1 495 . 1 1 48 48 LYS N N 15 121.19 0.05 . 1 . . . . . . . . 5943 1 496 . 1 1 49 49 ASN H H 1 9.667 0.05 . 1 . . . . . . . . 5943 1 497 . 1 1 49 49 ASN HA H 1 4.377 0.05 . 1 . . . . . . . . 5943 1 498 . 1 1 49 49 ASN HB2 H 1 2.868 0.05 . 2 . . . . . . . . 5943 1 499 . 1 1 49 49 ASN HB3 H 1 2.968 0.05 . 2 . . . . . . . . 5943 1 500 . 1 1 49 49 ASN HD21 H 1 7.762 0.05 . 2 . . . . . . . . 5943 1 501 . 1 1 49 49 ASN HD22 H 1 7.105 0.05 . 2 . . . . . . . . 5943 1 502 . 1 1 49 49 ASN C C 13 174.23 0.05 . 1 . . . . . . . . 5943 1 503 . 1 1 49 49 ASN CA C 13 51.48 0.05 . 1 . . . . . . . . 5943 1 504 . 1 1 49 49 ASN CB C 13 34.28 0.05 . 1 . . . . . . . . 5943 1 505 . 1 1 49 49 ASN N N 15 127.87 0.05 . 1 . . . . . . . . 5943 1 506 . 1 1 50 50 GLY H H 1 8.532 0.05 . 1 . . . . . . . . 5943 1 507 . 1 1 50 50 GLY HA2 H 1 3.451 0.05 . 2 . . . . . . . . 5943 1 508 . 1 1 50 50 GLY HA3 H 1 4.103 0.05 . 2 . . . . . . . . 5943 1 509 . 1 1 50 50 GLY C C 13 173.42 0.05 . 1 . . . . . . . . 5943 1 510 . 1 1 50 50 GLY CA C 13 43.23 0.05 . 1 . . . . . . . . 5943 1 511 . 1 1 50 50 GLY N N 15 101.43 0.05 . 1 . . . . . . . . 5943 1 512 . 1 1 51 51 LYS H H 1 7.629 0.05 . 1 . . . . . . . . 5943 1 513 . 1 1 51 51 LYS HA H 1 4.743 0.05 . 1 . . . . . . . . 5943 1 514 . 1 1 51 51 LYS HB2 H 1 1.984 0.05 . 1 . . . . . . . . 5943 1 515 . 1 1 51 51 LYS HB3 H 1 1.984 0.05 . 1 . . . . . . . . 5943 1 516 . 1 1 51 51 LYS HG2 H 1 1.47 0.05 . 1 . . . . . . . . 5943 1 517 . 1 1 51 51 LYS HG3 H 1 1.47 0.05 . 1 . . . . . . . . 5943 1 518 . 1 1 51 51 LYS HD2 H 1 1.753 0.05 . 2 . . . . . . . . 5943 1 519 . 1 1 51 51 LYS HD3 H 1 1.825 0.05 . 2 . . . . . . . . 5943 1 520 . 1 1 51 51 LYS HE2 H 1 3.041 0.05 . 1 . . . . . . . . 5943 1 521 . 1 1 51 51 LYS HE3 H 1 3.041 0.05 . 1 . . . . . . . . 5943 1 522 . 1 1 51 51 LYS C C 13 170.93 0.05 . 1 . . . . . . . . 5943 1 523 . 1 1 51 51 LYS CA C 13 51.81 0.05 . 1 . . . . . . . . 5943 1 524 . 1 1 51 51 LYS CB C 13 32.97 0.05 . 1 . . . . . . . . 5943 1 525 . 1 1 51 51 LYS CG C 13 22.32 0.05 . 1 . . . . . . . . 5943 1 526 . 1 1 51 51 LYS CE C 13 40.83 0.05 . 1 . . . . . . . . 5943 1 527 . 1 1 51 51 LYS N N 15 120.35 0.05 . 1 . . . . . . . . 5943 1 528 . 1 1 52 52 GLU H H 1 8.87 0.05 . 1 . . . . . . . . 5943 1 529 . 1 1 52 52 GLU HA H 1 4.062 0.05 . 1 . . . . . . . . 5943 1 530 . 1 1 52 52 GLU HB2 H 1 2.049 0.05 . 1 . . . . . . . . 5943 1 531 . 1 1 52 52 GLU HB3 H 1 2.049 0.05 . 1 . . . . . . . . 5943 1 532 . 1 1 52 52 GLU HG2 H 1 2.464 0.05 . 1 . . . . . . . . 5943 1 533 . 1 1 52 52 GLU HG3 H 1 2.464 0.05 . 1 . . . . . . . . 5943 1 534 . 1 1 52 52 GLU C C 13 173.06 0.05 . 1 . . . . . . . . 5943 1 535 . 1 1 52 52 GLU CA C 13 56.43 0.05 . 1 . . . . . . . . 5943 1 536 . 1 1 52 52 GLU CB C 13 27.22 0.05 . 1 . . . . . . . . 5943 1 537 . 1 1 52 52 GLU CG C 13 33.96 0.05 . 1 . . . . . . . . 5943 1 538 . 1 1 52 52 GLU N N 15 123.27 0.05 . 1 . . . . . . . . 5943 1 539 . 1 1 53 53 PHE H H 1 8.681 0.05 . 1 . . . . . . . . 5943 1 540 . 1 1 53 53 PHE HA H 1 5.639 0.05 . 1 . . . . . . . . 5943 1 541 . 1 1 53 53 PHE HB2 H 1 3.102 0.05 . 2 . . . . . . . . 5943 1 542 . 1 1 53 53 PHE HB3 H 1 3.212 0.05 . 2 . . . . . . . . 5943 1 543 . 1 1 53 53 PHE HD1 H 1 7.053 0.05 . 1 . . . . . . . . 5943 1 544 . 1 1 53 53 PHE HD2 H 1 7.053 0.05 . 1 . . . . . . . . 5943 1 545 . 1 1 53 53 PHE HE1 H 1 6.982 0.05 . 1 . . . . . . . . 5943 1 546 . 1 1 53 53 PHE HE2 H 1 6.982 0.05 . 1 . . . . . . . . 5943 1 547 . 1 1 53 53 PHE CA C 13 51.96 0.05 . 1 . . . . . . . . 5943 1 548 . 1 1 53 53 PHE CB C 13 41.76 0.05 . 1 . . . . . . . . 5943 1 549 . 1 1 53 53 PHE N N 15 127.86 0.05 . 1 . . . . . . . . 5943 1 550 . 1 1 55 55 GLN H H 1 8.679 0.05 . 1 . . . . . . . . 5943 1 551 . 1 1 55 55 GLN HA H 1 4.678 0.05 . 1 . . . . . . . . 5943 1 552 . 1 1 55 55 GLN HB2 H 1 1.977 0.05 . 1 . . . . . . . . 5943 1 553 . 1 1 55 55 GLN HB3 H 1 1.977 0.05 . 1 . . . . . . . . 5943 1 554 . 1 1 55 55 GLN HG2 H 1 3.273 0.05 . 1 . . . . . . . . 5943 1 555 . 1 1 55 55 GLN HG3 H 1 3.273 0.05 . 1 . . . . . . . . 5943 1 556 . 1 1 55 55 GLN HE21 H 1 7.555 0.05 . 2 . . . . . . . . 5943 1 557 . 1 1 55 55 GLN HE22 H 1 6.855 0.05 . 2 . . . . . . . . 5943 1 558 . 1 1 55 55 GLN C C 13 174.56 0.05 . 1 . . . . . . . . 5943 1 559 . 1 1 55 55 GLN CA C 13 57.01 0.05 . 1 . . . . . . . . 5943 1 560 . 1 1 55 55 GLN CB C 13 25.53 0.05 . 1 . . . . . . . . 5943 1 561 . 1 1 55 55 GLN N N 15 120.48 0.05 . 1 . . . . . . . . 5943 1 562 . 1 1 56 56 GLU H H 1 8.621 0.05 . 1 . . . . . . . . 5943 1 563 . 1 1 56 56 GLU HA H 1 4.197 0.05 . 1 . . . . . . . . 5943 1 564 . 1 1 56 56 GLU HB2 H 1 1.974 0.05 . 1 . . . . . . . . 5943 1 565 . 1 1 56 56 GLU HB3 H 1 1.974 0.05 . 1 . . . . . . . . 5943 1 566 . 1 1 56 56 GLU HG2 H 1 2.38 0.05 . 2 . . . . . . . . 5943 1 567 . 1 1 56 56 GLU HG3 H 1 2.419 0.05 . 2 . . . . . . . . 5943 1 568 . 1 1 56 56 GLU C C 13 174.89 0.05 . 1 . . . . . . . . 5943 1 569 . 1 1 56 56 GLU CA C 13 55.15 0.05 . 1 . . . . . . . . 5943 1 570 . 1 1 56 56 GLU CB C 13 26.25 0.05 . 1 . . . . . . . . 5943 1 571 . 1 1 56 56 GLU CG C 13 34.24 0.05 . 1 . . . . . . . . 5943 1 572 . 1 1 56 56 GLU N N 15 111.71 0.05 . 1 . . . . . . . . 5943 1 573 . 1 1 57 57 HIS H H 1 8.004 0.05 . 1 . . . . . . . . 5943 1 574 . 1 1 57 57 HIS HA H 1 4.771 0.05 . 1 . . . . . . . . 5943 1 575 . 1 1 57 57 HIS HB2 H 1 3.527 0.05 . 2 . . . . . . . . 5943 1 576 . 1 1 57 57 HIS HB3 H 1 3.779 0.05 . 2 . . . . . . . . 5943 1 577 . 1 1 57 57 HIS HD2 H 1 7.032 0.05 . 1 . . . . . . . . 5943 1 578 . 1 1 57 57 HIS HE1 H 1 7.733 0.05 . 1 . . . . . . . . 5943 1 579 . 1 1 57 57 HIS C C 13 174.84 0.05 . 1 . . . . . . . . 5943 1 580 . 1 1 57 57 HIS CA C 13 54.22 0.05 . 1 . . . . . . . . 5943 1 581 . 1 1 57 57 HIS CB C 13 29.84 0.05 . 1 . . . . . . . . 5943 1 582 . 1 1 57 57 HIS N N 15 119.39 0.05 . 1 . . . . . . . . 5943 1 583 . 1 1 58 58 ARG H H 1 7.724 0.05 . 1 . . . . . . . . 5943 1 584 . 1 1 58 58 ARG HA H 1 4.798 0.05 . 1 . . . . . . . . 5943 1 585 . 1 1 58 58 ARG HB2 H 1 1.785 0.05 . 2 . . . . . . . . 5943 1 586 . 1 1 58 58 ARG HB3 H 1 2.02 0.05 . 2 . . . . . . . . 5943 1 587 . 1 1 58 58 ARG HG2 H 1 1.364 0.05 . 2 . . . . . . . . 5943 1 588 . 1 1 58 58 ARG HG3 H 1 1.51 0.05 . 2 . . . . . . . . 5943 1 589 . 1 1 58 58 ARG HD2 H 1 3.263 0.05 . 1 . . . . . . . . 5943 1 590 . 1 1 58 58 ARG HD3 H 1 3.263 0.05 . 1 . . . . . . . . 5943 1 591 . 1 1 58 58 ARG C C 13 172.74 0.05 . 1 . . . . . . . . 5943 1 592 . 1 1 58 58 ARG CA C 13 52.81 0.05 . 1 . . . . . . . . 5943 1 593 . 1 1 58 58 ARG N N 15 115.67 0.05 . 1 . . . . . . . . 5943 1 594 . 1 1 59 59 ILE H H 1 8.768 0.05 . 1 . . . . . . . . 5943 1 595 . 1 1 59 59 ILE HA H 1 3.894 0.05 . 1 . . . . . . . . 5943 1 596 . 1 1 59 59 ILE HB H 1 1.895 0.05 . 1 . . . . . . . . 5943 1 597 . 1 1 59 59 ILE HG12 H 1 1.316 0.05 . 1 . . . . . . . . 5943 1 598 . 1 1 59 59 ILE HG13 H 1 1.579 0.05 . 1 . . . . . . . . 5943 1 599 . 1 1 59 59 ILE HG21 H 1 0.392 0.05 . 1 . . . . . . . . 5943 1 600 . 1 1 59 59 ILE HG22 H 1 0.392 0.05 . 1 . . . . . . . . 5943 1 601 . 1 1 59 59 ILE HG23 H 1 0.392 0.05 . 1 . . . . . . . . 5943 1 602 . 1 1 59 59 ILE HD11 H 1 0.887 0.05 . 1 . . . . . . . . 5943 1 603 . 1 1 59 59 ILE HD12 H 1 0.887 0.05 . 1 . . . . . . . . 5943 1 604 . 1 1 59 59 ILE HD13 H 1 0.887 0.05 . 1 . . . . . . . . 5943 1 605 . 1 1 59 59 ILE C C 13 172.79 0.05 . 1 . . . . . . . . 5943 1 606 . 1 1 59 59 ILE CA C 13 60.72 0.05 . 1 . . . . . . . . 5943 1 607 . 1 1 59 59 ILE CB C 13 34.13 0.05 . 1 . . . . . . . . 5943 1 608 . 1 1 59 59 ILE CG1 C 13 25.72 0.05 . 1 . . . . . . . . 5943 1 609 . 1 1 59 59 ILE CD1 C 13 9.738 0.05 . 1 . . . . . . . . 5943 1 610 . 1 1 59 59 ILE N N 15 126.56 0.05 . 1 . . . . . . . . 5943 1 611 . 1 1 60 60 GLY H H 1 8.873 0.05 . 1 . . . . . . . . 5943 1 612 . 1 1 60 60 GLY HA2 H 1 3.6 0.05 . 2 . . . . . . . . 5943 1 613 . 1 1 60 60 GLY HA3 H 1 4.26 0.05 . 2 . . . . . . . . 5943 1 614 . 1 1 60 60 GLY C C 13 174.03 0.05 . 1 . . . . . . . . 5943 1 615 . 1 1 60 60 GLY CA C 13 42.43 0.05 . 1 . . . . . . . . 5943 1 616 . 1 1 60 60 GLY N N 15 116 0.05 . 1 . . . . . . . . 5943 1 617 . 1 1 61 61 GLY H H 1 8.037 0.05 . 1 . . . . . . . . 5943 1 618 . 1 1 61 61 GLY HA2 H 1 4.081 0.05 . 2 . . . . . . . . 5943 1 619 . 1 1 61 61 GLY HA3 H 1 4.72 0.05 . 2 . . . . . . . . 5943 1 620 . 1 1 61 61 GLY C C 13 172.68 0.05 . 1 . . . . . . . . 5943 1 621 . 1 1 61 61 GLY CA C 13 43.52 0.05 . 1 . . . . . . . . 5943 1 622 . 1 1 61 61 GLY N N 15 108.435 0.05 . 1 . . . . . . . . 5943 1 623 . 1 1 62 62 TYR H H 1 7.582 0.05 . 1 . . . . . . . . 5943 1 624 . 1 1 62 62 TYR HA H 1 5.01 0.05 . 1 . . . . . . . . 5943 1 625 . 1 1 62 62 TYR HB2 H 1 3.15 0.05 . 1 . . . . . . . . 5943 1 626 . 1 1 62 62 TYR HB3 H 1 3.15 0.05 . 1 . . . . . . . . 5943 1 627 . 1 1 62 62 TYR HD1 H 1 6.613 0.05 . 1 . . . . . . . . 5943 1 628 . 1 1 62 62 TYR HD2 H 1 6.613 0.05 . 1 . . . . . . . . 5943 1 629 . 1 1 62 62 TYR HE1 H 1 6.879 0.05 . 1 . . . . . . . . 5943 1 630 . 1 1 62 62 TYR HE2 H 1 6.879 0.05 . 1 . . . . . . . . 5943 1 631 . 1 1 62 62 TYR N N 15 120.18 0.05 . 1 . . . . . . . . 5943 1 632 . 1 1 63 63 LYS H H 1 8.803 0.05 . 1 . . . . . . . . 5943 1 633 . 1 1 63 63 LYS HA H 1 4.779 0.05 . 1 . . . . . . . . 5943 1 634 . 1 1 63 63 LYS HB2 H 1 1.621 0.05 . 1 . . . . . . . . 5943 1 635 . 1 1 63 63 LYS HB3 H 1 1.621 0.05 . 1 . . . . . . . . 5943 1 636 . 1 1 63 63 LYS HG2 H 1 1.317 0.05 . 1 . . . . . . . . 5943 1 637 . 1 1 63 63 LYS HG3 H 1 1.317 0.05 . 1 . . . . . . . . 5943 1 638 . 1 1 63 63 LYS HE2 H 1 2.661 0.05 . 2 . . . . . . . . 5943 1 639 . 1 1 63 63 LYS HE3 H 1 2.934 0.05 . 2 . . . . . . . . 5943 1 640 . 1 1 63 63 LYS C C 13 171.52 0.05 . 1 . . . . . . . . 5943 1 641 . 1 1 63 63 LYS CA C 13 52.41 0.05 . 1 . . . . . . . . 5943 1 642 . 1 1 63 63 LYS N N 15 120.07 0.05 . 1 . . . . . . . . 5943 1 643 . 1 1 64 64 VAL H H 1 8.53 0.05 . 1 . . . . . . . . 5943 1 644 . 1 1 64 64 VAL HA H 1 5.021 0.05 . 1 . . . . . . . . 5943 1 645 . 1 1 64 64 VAL HB H 1 2.07 0.05 . 1 . . . . . . . . 5943 1 646 . 1 1 64 64 VAL HG11 H 1 1.085 0.05 . 1 . . . . . . . . 5943 1 647 . 1 1 64 64 VAL HG12 H 1 1.085 0.05 . 1 . . . . . . . . 5943 1 648 . 1 1 64 64 VAL HG13 H 1 1.085 0.05 . 1 . . . . . . . . 5943 1 649 . 1 1 64 64 VAL HG21 H 1 1.085 0.05 . 1 . . . . . . . . 5943 1 650 . 1 1 64 64 VAL HG22 H 1 1.085 0.05 . 1 . . . . . . . . 5943 1 651 . 1 1 64 64 VAL HG23 H 1 1.085 0.05 . 1 . . . . . . . . 5943 1 652 . 1 1 64 64 VAL C C 13 173.16 0.05 . 1 . . . . . . . . 5943 1 653 . 1 1 64 64 VAL CA C 13 57.9 0.05 . 1 . . . . . . . . 5943 1 654 . 1 1 64 64 VAL CB C 13 32.24 0.05 . 1 . . . . . . . . 5943 1 655 . 1 1 64 64 VAL CG1 C 13 18.7 0.05 . 1 . . . . . . . . 5943 1 656 . 1 1 64 64 VAL CG2 C 13 18.06 0.05 . 1 . . . . . . . . 5943 1 657 . 1 1 64 64 VAL N N 15 120.48 0.05 . 1 . . . . . . . . 5943 1 658 . 1 1 65 65 ARG H H 1 8.399 0.05 . 1 . . . . . . . . 5943 1 659 . 1 1 65 65 ARG HA H 1 4.768 0.05 . 1 . . . . . . . . 5943 1 660 . 1 1 65 65 ARG HB2 H 1 1.8 0.05 . 1 . . . . . . . . 5943 1 661 . 1 1 65 65 ARG HB3 H 1 1.8 0.05 . 1 . . . . . . . . 5943 1 662 . 1 1 65 65 ARG HG2 H 1 1.552 0.05 . 1 . . . . . . . . 5943 1 663 . 1 1 65 65 ARG HG3 H 1 1.552 0.05 . 1 . . . . . . . . 5943 1 664 . 1 1 65 65 ARG C C 13 173.37 0.05 . 1 . . . . . . . . 5943 1 665 . 1 1 65 65 ARG CA C 13 51.41 0.05 . 1 . . . . . . . . 5943 1 666 . 1 1 65 65 ARG N N 15 124.72 0.05 . 1 . . . . . . . . 5943 1 667 . 1 1 67 67 GLN CA C 13 53.53 0.05 . 1 . . . . . . . . 5943 1 668 . 1 1 68 68 HIS H H 1 8.171 0.05 . 1 . . . . . . . . 5943 1 669 . 1 1 68 68 HIS HA H 1 4.426 0.05 . 1 . . . . . . . . 5943 1 670 . 1 1 68 68 HIS HB2 H 1 3.063 0.05 . 2 . . . . . . . . 5943 1 671 . 1 1 68 68 HIS HB3 H 1 3.2 0.05 . 2 . . . . . . . . 5943 1 672 . 1 1 68 68 HIS HD2 H 1 7.252 0.05 . 1 . . . . . . . . 5943 1 673 . 1 1 68 68 HIS C C 13 171.54 0.05 . 1 . . . . . . . . 5943 1 674 . 1 1 68 68 HIS CA C 13 54.29 0.05 . 1 . . . . . . . . 5943 1 675 . 1 1 68 68 HIS CB C 13 27.75 0.05 . 1 . . . . . . . . 5943 1 676 . 1 1 68 68 HIS N N 15 125 0.05 . 1 . . . . . . . . 5943 1 677 . 1 1 69 69 TRP H H 1 9.229 0.05 . 1 . . . . . . . . 5943 1 678 . 1 1 69 69 TRP HA H 1 4.773 0.05 . 1 . . . . . . . . 5943 1 679 . 1 1 69 69 TRP HB2 H 1 2.115 0.05 . 2 . . . . . . . . 5943 1 680 . 1 1 69 69 TRP HB3 H 1 2.272 0.05 . 2 . . . . . . . . 5943 1 681 . 1 1 69 69 TRP HD1 H 1 7.247 0.05 . 1 . . . . . . . . 5943 1 682 . 1 1 69 69 TRP HE1 H 1 10.08 0.05 . 1 . . . . . . . . 5943 1 683 . 1 1 69 69 TRP HZ3 H 1 7.247 0.05 . 1 . . . . . . . . 5943 1 684 . 1 1 69 69 TRP HH2 H 1 6.986 0.05 . 1 . . . . . . . . 5943 1 685 . 1 1 69 69 TRP CA C 13 55.36 0.05 . 1 . . . . . . . . 5943 1 686 . 1 1 69 69 TRP N N 15 126.18 0.05 . 1 . . . . . . . . 5943 1 687 . 1 1 70 70 SER H H 1 7.88 0.05 . 1 . . . . . . . . 5943 1 688 . 1 1 70 70 SER HA H 1 6.053 0.05 . 1 . . . . . . . . 5943 1 689 . 1 1 70 70 SER HB2 H 1 3.601 0.05 . 1 . . . . . . . . 5943 1 690 . 1 1 70 70 SER HB3 H 1 3.601 0.05 . 1 . . . . . . . . 5943 1 691 . 1 1 70 70 SER C C 13 172.72 0.05 . 1 . . . . . . . . 5943 1 692 . 1 1 70 70 SER CA C 13 54.43 0.05 . 1 . . . . . . . . 5943 1 693 . 1 1 70 70 SER CB C 13 65.36 0.05 . 1 . . . . . . . . 5943 1 694 . 1 1 70 70 SER N N 15 110.46 0.05 . 1 . . . . . . . . 5943 1 695 . 1 1 71 71 LEU H H 1 8.652 0.05 . 1 . . . . . . . . 5943 1 696 . 1 1 71 71 LEU HA H 1 4.65 0.05 . 1 . . . . . . . . 5943 1 697 . 1 1 71 71 LEU HB2 H 1 0.321 0.05 . 1 . . . . . . . . 5943 1 698 . 1 1 71 71 LEU HB3 H 1 0.321 0.05 . 1 . . . . . . . . 5943 1 699 . 1 1 71 71 LEU HG H 1 -0.003 0.05 . 1 . . . . . . . . 5943 1 700 . 1 1 71 71 LEU HD11 H 1 -0.353 0.05 . 1 . . . . . . . . 5943 1 701 . 1 1 71 71 LEU HD12 H 1 -0.353 0.05 . 1 . . . . . . . . 5943 1 702 . 1 1 71 71 LEU HD13 H 1 -0.353 0.05 . 1 . . . . . . . . 5943 1 703 . 1 1 71 71 LEU HD21 H 1 -0.353 0.05 . 1 . . . . . . . . 5943 1 704 . 1 1 71 71 LEU HD22 H 1 -0.353 0.05 . 1 . . . . . . . . 5943 1 705 . 1 1 71 71 LEU HD23 H 1 -0.353 0.05 . 1 . . . . . . . . 5943 1 706 . 1 1 71 71 LEU C C 13 169.93 0.05 . 1 . . . . . . . . 5943 1 707 . 1 1 71 71 LEU CA C 13 50.65 0.05 . 1 . . . . . . . . 5943 1 708 . 1 1 71 71 LEU CB C 13 41 0.05 . 1 . . . . . . . . 5943 1 709 . 1 1 71 71 LEU CG C 13 23.86 0.05 . 1 . . . . . . . . 5943 1 710 . 1 1 71 71 LEU N N 15 124.86 0.05 . 1 . . . . . . . . 5943 1 711 . 1 1 72 72 ILE H H 1 9.033 0.05 . 1 . . . . . . . . 5943 1 712 . 1 1 72 72 ILE HA H 1 4.608 0.05 . 1 . . . . . . . . 5943 1 713 . 1 1 72 72 ILE HB H 1 1.566 0.05 . 1 . . . . . . . . 5943 1 714 . 1 1 72 72 ILE HG12 H 1 1.069 0.05 . 1 . . . . . . . . 5943 1 715 . 1 1 72 72 ILE HG13 H 1 1.314 0.05 . 1 . . . . . . . . 5943 1 716 . 1 1 72 72 ILE HG21 H 1 0.811 0.05 . 1 . . . . . . . . 5943 1 717 . 1 1 72 72 ILE HG22 H 1 0.811 0.05 . 1 . . . . . . . . 5943 1 718 . 1 1 72 72 ILE HG23 H 1 0.811 0.05 . 1 . . . . . . . . 5943 1 719 . 1 1 72 72 ILE HD11 H 1 0.67 0.05 . 1 . . . . . . . . 5943 1 720 . 1 1 72 72 ILE HD12 H 1 0.67 0.05 . 1 . . . . . . . . 5943 1 721 . 1 1 72 72 ILE HD13 H 1 0.67 0.05 . 1 . . . . . . . . 5943 1 722 . 1 1 72 72 ILE C C 13 171.90 0.05 . 1 . . . . . . . . 5943 1 723 . 1 1 72 72 ILE CA C 13 57.95 0.05 . 1 . . . . . . . . 5943 1 724 . 1 1 72 72 ILE N N 15 125.12 0.05 . 1 . . . . . . . . 5943 1 725 . 1 1 73 73 MET H H 1 8.533 0.05 . 1 . . . . . . . . 5943 1 726 . 1 1 73 73 MET HA H 1 4.551 0.05 . 1 . . . . . . . . 5943 1 727 . 1 1 73 73 MET HB2 H 1 1.35 0.05 . 1 . . . . . . . . 5943 1 728 . 1 1 73 73 MET HB3 H 1 1.35 0.05 . 1 . . . . . . . . 5943 1 729 . 1 1 73 73 MET HG2 H 1 1.573 0.05 . 1 . . . . . . . . 5943 1 730 . 1 1 73 73 MET HG3 H 1 1.573 0.05 . 1 . . . . . . . . 5943 1 731 . 1 1 73 73 MET C C 13 173.33 0.05 . 1 . . . . . . . . 5943 1 732 . 1 1 73 73 MET CA C 13 52.33 0.05 . 1 . . . . . . . . 5943 1 733 . 1 1 73 73 MET CB C 13 33.49 0.05 . 1 . . . . . . . . 5943 1 734 . 1 1 73 73 MET N N 15 125.36 0.05 . 1 . . . . . . . . 5943 1 735 . 1 1 74 74 GLU H H 1 8.594 0.05 . 1 . . . . . . . . 5943 1 736 . 1 1 74 74 GLU HA H 1 4.426 0.05 . 1 . . . . . . . . 5943 1 737 . 1 1 74 74 GLU HB2 H 1 1.849 0.05 . 1 . . . . . . . . 5943 1 738 . 1 1 74 74 GLU HB3 H 1 1.849 0.05 . 1 . . . . . . . . 5943 1 739 . 1 1 74 74 GLU HG2 H 1 2.112 0.05 . 1 . . . . . . . . 5943 1 740 . 1 1 74 74 GLU HG3 H 1 2.112 0.05 . 1 . . . . . . . . 5943 1 741 . 1 1 74 74 GLU C C 13 171.42 0.05 . 1 . . . . . . . . 5943 1 742 . 1 1 74 74 GLU CA C 13 53.29 0.05 . 1 . . . . . . . . 5943 1 743 . 1 1 74 74 GLU CB C 13 28.22 0.05 . 1 . . . . . . . . 5943 1 744 . 1 1 74 74 GLU N N 15 122.01 0.05 . 1 . . . . . . . . 5943 1 745 . 1 1 75 75 SER H H 1 8.203 0.05 . 1 . . . . . . . . 5943 1 746 . 1 1 75 75 SER HA H 1 3.825 0.05 . 1 . . . . . . . . 5943 1 747 . 1 1 75 75 SER HB2 H 1 3.415 0.05 . 2 . . . . . . . . 5943 1 748 . 1 1 75 75 SER HB3 H 1 3.672 0.05 . 2 . . . . . . . . 5943 1 749 . 1 1 75 75 SER C C 13 174.08 0.05 . 1 . . . . . . . . 5943 1 750 . 1 1 75 75 SER CA C 13 55.31 0.05 . 1 . . . . . . . . 5943 1 751 . 1 1 75 75 SER CB C 13 59.13 0.05 . 1 . . . . . . . . 5943 1 752 . 1 1 75 75 SER N N 15 116.04 0.05 . 1 . . . . . . . . 5943 1 753 . 1 1 76 76 VAL H H 1 8.385 0.05 . 1 . . . . . . . . 5943 1 754 . 1 1 76 76 VAL HA H 1 4.002 0.05 . 1 . . . . . . . . 5943 1 755 . 1 1 76 76 VAL HB H 1 2.094 0.05 . 1 . . . . . . . . 5943 1 756 . 1 1 76 76 VAL HG11 H 1 0.781 0.05 . 1 . . . . . . . . 5943 1 757 . 1 1 76 76 VAL HG12 H 1 0.781 0.05 . 1 . . . . . . . . 5943 1 758 . 1 1 76 76 VAL HG13 H 1 0.781 0.05 . 1 . . . . . . . . 5943 1 759 . 1 1 76 76 VAL HG21 H 1 0.781 0.05 . 1 . . . . . . . . 5943 1 760 . 1 1 76 76 VAL HG22 H 1 0.781 0.05 . 1 . . . . . . . . 5943 1 761 . 1 1 76 76 VAL HG23 H 1 0.781 0.05 . 1 . . . . . . . . 5943 1 762 . 1 1 76 76 VAL C C 13 171.87 0.05 . 1 . . . . . . . . 5943 1 763 . 1 1 76 76 VAL CA C 13 60.79 0.05 . 1 . . . . . . . . 5943 1 764 . 1 1 76 76 VAL CB C 13 30.28 0.05 . 1 . . . . . . . . 5943 1 765 . 1 1 76 76 VAL CG1 C 13 20.65 0.05 . 1 . . . . . . . . 5943 1 766 . 1 1 76 76 VAL CG2 C 13 20.46 0.05 . 1 . . . . . . . . 5943 1 767 . 1 1 76 76 VAL N N 15 115.86 0.05 . 1 . . . . . . . . 5943 1 768 . 1 1 77 77 VAL H H 1 9.123 0.05 . 1 . . . . . . . . 5943 1 769 . 1 1 77 77 VAL HA H 1 4.802 0.05 . 1 . . . . . . . . 5943 1 770 . 1 1 77 77 VAL HB H 1 2.401 0.05 . 1 . . . . . . . . 5943 1 771 . 1 1 77 77 VAL HG11 H 1 0.818 0.05 . 2 . . . . . . . . 5943 1 772 . 1 1 77 77 VAL HG12 H 1 0.818 0.05 . 2 . . . . . . . . 5943 1 773 . 1 1 77 77 VAL HG13 H 1 0.818 0.05 . 2 . . . . . . . . 5943 1 774 . 1 1 77 77 VAL HG21 H 1 1.053 0.05 . 2 . . . . . . . . 5943 1 775 . 1 1 77 77 VAL HG22 H 1 1.053 0.05 . 2 . . . . . . . . 5943 1 776 . 1 1 77 77 VAL HG23 H 1 1.053 0.05 . 2 . . . . . . . . 5943 1 777 . 1 1 77 77 VAL C C 13 174.05 0.05 . 1 . . . . . . . . 5943 1 778 . 1 1 77 77 VAL CA C 13 56.15 0.05 . 1 . . . . . . . . 5943 1 779 . 1 1 77 77 VAL CB C 13 30.68 0.05 . 1 . . . . . . . . 5943 1 780 . 1 1 77 77 VAL CG1 C 13 17.82 0.05 . 2 . . . . . . . . 5943 1 781 . 1 1 77 77 VAL CG2 C 13 17.35 0.05 . 2 . . . . . . . . 5943 1 782 . 1 1 77 77 VAL N N 15 117.05 0.05 . 1 . . . . . . . . 5943 1 783 . 1 1 78 78 PRO CA C 13 64.85 0.05 . 1 . . . . . . . . 5943 1 784 . 1 1 78 78 PRO CB C 13 29.63 0.05 . 1 . . . . . . . . 5943 1 785 . 1 1 79 79 SER H H 1 8.064 0.05 . 1 . . . . . . . . 5943 1 786 . 1 1 79 79 SER HA H 1 4.748 0.05 . 1 . . . . . . . . 5943 1 787 . 1 1 79 79 SER HB2 H 1 4.325 0.05 . 1 . . . . . . . . 5943 1 788 . 1 1 79 79 SER HB3 H 1 4.325 0.05 . 1 . . . . . . . . 5943 1 789 . 1 1 79 79 SER C C 13 175.78 0.05 . 1 . . . . . . . . 5943 1 790 . 1 1 79 79 SER CA C 13 57.77 0.05 . 1 . . . . . . . . 5943 1 791 . 1 1 79 79 SER CB C 13 60.65 0.05 . 1 . . . . . . . . 5943 1 792 . 1 1 79 79 SER N N 15 109.1 0.05 . 1 . . . . . . . . 5943 1 793 . 1 1 80 80 ASP H H 1 8.839 0.05 . 1 . . . . . . . . 5943 1 794 . 1 1 80 80 ASP HA H 1 4.717 0.05 . 1 . . . . . . . . 5943 1 795 . 1 1 80 80 ASP HB2 H 1 2.611 0.05 . 1 . . . . . . . . 5943 1 796 . 1 1 80 80 ASP HB3 H 1 2.611 0.05 . 1 . . . . . . . . 5943 1 797 . 1 1 80 80 ASP C C 13 173.00 0.05 . 1 . . . . . . . . 5943 1 798 . 1 1 80 80 ASP CA C 13 53.24 0.05 . 1 . . . . . . . . 5943 1 799 . 1 1 80 80 ASP CB C 13 38.97 0.05 . 1 . . . . . . . . 5943 1 800 . 1 1 80 80 ASP N N 15 119.9 0.05 . 1 . . . . . . . . 5943 1 801 . 1 1 81 81 LYS H H 1 7.755 0.05 . 1 . . . . . . . . 5943 1 802 . 1 1 81 81 LYS HA H 1 4.148 0.05 . 1 . . . . . . . . 5943 1 803 . 1 1 81 81 LYS HB2 H 1 2.248 0.05 . 1 . . . . . . . . 5943 1 804 . 1 1 81 81 LYS HB3 H 1 2.248 0.05 . 1 . . . . . . . . 5943 1 805 . 1 1 81 81 LYS HG2 H 1 1.548 0.05 . 1 . . . . . . . . 5943 1 806 . 1 1 81 81 LYS HG3 H 1 1.548 0.05 . 1 . . . . . . . . 5943 1 807 . 1 1 81 81 LYS HD2 H 1 1.78 0.05 . 1 . . . . . . . . 5943 1 808 . 1 1 81 81 LYS HD3 H 1 1.957 0.05 . 1 . . . . . . . . 5943 1 809 . 1 1 81 81 LYS HE2 H 1 2.989 0.05 . 1 . . . . . . . . 5943 1 810 . 1 1 81 81 LYS HE3 H 1 2.989 0.05 . 1 . . . . . . . . 5943 1 811 . 1 1 81 81 LYS C C 13 174.30 0.05 . 1 . . . . . . . . 5943 1 812 . 1 1 81 81 LYS CA C 13 55.21 0.05 . 1 . . . . . . . . 5943 1 813 . 1 1 81 81 LYS CB C 13 30.39 0.05 . 1 . . . . . . . . 5943 1 814 . 1 1 81 81 LYS N N 15 121.57 0.05 . 1 . . . . . . . . 5943 1 815 . 1 1 82 82 GLY H H 1 8.414 0.05 . 1 . . . . . . . . 5943 1 816 . 1 1 82 82 GLY HA2 H 1 3.91 0.05 . 1 . . . . . . . . 5943 1 817 . 1 1 82 82 GLY HA3 H 1 4.171 0.05 . 1 . . . . . . . . 5943 1 818 . 1 1 82 82 GLY C C 13 172.70 0.05 . 1 . . . . . . . . 5943 1 819 . 1 1 82 82 GLY CA C 13 42.1 0.05 . 1 . . . . . . . . 5943 1 820 . 1 1 82 82 GLY N N 15 108.53 0.05 . 1 . . . . . . . . 5943 1 821 . 1 1 83 83 ASN H H 1 8.029 0.05 . 1 . . . . . . . . 5943 1 822 . 1 1 83 83 ASN HA H 1 5.681 0.05 . 1 . . . . . . . . 5943 1 823 . 1 1 83 83 ASN HB2 H 1 2.254 0.05 . 2 . . . . . . . . 5943 1 824 . 1 1 83 83 ASN HB3 H 1 2.679 0.05 . 2 . . . . . . . . 5943 1 825 . 1 1 83 83 ASN HD21 H 1 7.666 0.05 . 2 . . . . . . . . 5943 1 826 . 1 1 83 83 ASN HD22 H 1 7.181 0.05 . 2 . . . . . . . . 5943 1 827 . 1 1 83 83 ASN C C 13 168.36 0.05 . 1 . . . . . . . . 5943 1 828 . 1 1 83 83 ASN CA C 13 48.91 0.05 . 1 . . . . . . . . 5943 1 829 . 1 1 83 83 ASN CB C 13 37.81 0.05 . 1 . . . . . . . . 5943 1 830 . 1 1 83 83 ASN N N 15 116.85 0.05 . 1 . . . . . . . . 5943 1 831 . 1 1 84 84 TYR H H 1 9.635 0.05 . 1 . . . . . . . . 5943 1 832 . 1 1 84 84 TYR HA H 1 5.33 0.05 . 1 . . . . . . . . 5943 1 833 . 1 1 84 84 TYR HB2 H 1 2.387 0.05 . 2 . . . . . . . . 5943 1 834 . 1 1 84 84 TYR HB3 H 1 2.709 0.05 . 2 . . . . . . . . 5943 1 835 . 1 1 84 84 TYR C C 13 172.30 0.05 . 1 . . . . . . . . 5943 1 836 . 1 1 84 84 TYR CA C 13 55.13 0.05 . 1 . . . . . . . . 5943 1 837 . 1 1 84 84 TYR CB C 13 38.46 0.05 . 1 . . . . . . . . 5943 1 838 . 1 1 84 84 TYR N N 15 125.44 0.05 . 1 . . . . . . . . 5943 1 839 . 1 1 85 85 THR H H 1 9.147 0.05 . 1 . . . . . . . . 5943 1 840 . 1 1 85 85 THR HA H 1 5.62 0.05 . 1 . . . . . . . . 5943 1 841 . 1 1 85 85 THR HB H 1 3.578 0.05 . 1 . . . . . . . . 5943 1 842 . 1 1 85 85 THR HG21 H 1 0.93 0.05 . 1 . . . . . . . . 5943 1 843 . 1 1 85 85 THR HG22 H 1 0.93 0.05 . 1 . . . . . . . . 5943 1 844 . 1 1 85 85 THR HG23 H 1 0.93 0.05 . 1 . . . . . . . . 5943 1 845 . 1 1 85 85 THR C C 13 172.25 0.05 . 1 . . . . . . . . 5943 1 846 . 1 1 85 85 THR CA C 13 57.97 0.05 . 1 . . . . . . . . 5943 1 847 . 1 1 85 85 THR CB C 13 70.08 0.05 . 1 . . . . . . . . 5943 1 848 . 1 1 85 85 THR CG2 C 13 22.84 0.05 . 1 . . . . . . . . 5943 1 849 . 1 1 85 85 THR N N 15 121.63 0.05 . 1 . . . . . . . . 5943 1 850 . 1 1 86 86 CYS H H 1 9.052 0.05 . 1 . . . . . . . . 5943 1 851 . 1 1 86 86 CYS HA H 1 4.338 0.05 . 1 . . . . . . . . 5943 1 852 . 1 1 86 86 CYS HB2 H 1 2.501 0.05 . 1 . . . . . . . . 5943 1 853 . 1 1 86 86 CYS HB3 H 1 2.501 0.05 . 1 . . . . . . . . 5943 1 854 . 1 1 86 86 CYS C C 13 171.13 0.05 . 1 . . . . . . . . 5943 1 855 . 1 1 86 86 CYS CA C 13 50.55 0.05 . 1 . . . . . . . . 5943 1 856 . 1 1 86 86 CYS CB C 13 39.63 0.05 . 1 . . . . . . . . 5943 1 857 . 1 1 86 86 CYS N N 15 124.08 0.05 . 1 . . . . . . . . 5943 1 858 . 1 1 87 87 VAL H H 1 8.847 0.05 . 1 . . . . . . . . 5943 1 859 . 1 1 87 87 VAL HA H 1 4.366 0.05 . 1 . . . . . . . . 5943 1 860 . 1 1 87 87 VAL HB H 1 1.699 0.05 . 1 . . . . . . . . 5943 1 861 . 1 1 87 87 VAL HG11 H 1 0.683 0.05 . 1 . . . . . . . . 5943 1 862 . 1 1 87 87 VAL HG12 H 1 0.683 0.05 . 1 . . . . . . . . 5943 1 863 . 1 1 87 87 VAL HG13 H 1 0.683 0.05 . 1 . . . . . . . . 5943 1 864 . 1 1 87 87 VAL HG21 H 1 0.683 0.05 . 1 . . . . . . . . 5943 1 865 . 1 1 87 87 VAL HG22 H 1 0.683 0.05 . 1 . . . . . . . . 5943 1 866 . 1 1 87 87 VAL HG23 H 1 0.683 0.05 . 1 . . . . . . . . 5943 1 867 . 1 1 87 87 VAL C C 13 170.08 0.05 . 1 . . . . . . . . 5943 1 868 . 1 1 87 87 VAL CA C 13 59.52 0.05 . 1 . . . . . . . . 5943 1 869 . 1 1 87 87 VAL CB C 13 30.27 0.05 . 1 . . . . . . . . 5943 1 870 . 1 1 87 87 VAL CG1 C 13 18.71 0.05 . 1 . . . . . . . . 5943 1 871 . 1 1 87 87 VAL CG2 C 13 18.2 0.05 . 1 . . . . . . . . 5943 1 872 . 1 1 87 87 VAL N N 15 124.18 0.05 . 1 . . . . . . . . 5943 1 873 . 1 1 88 88 VAL H H 1 8.944 0.05 . 1 . . . . . . . . 5943 1 874 . 1 1 88 88 VAL HA H 1 5.178 0.05 . 1 . . . . . . . . 5943 1 875 . 1 1 88 88 VAL HB H 1 1.64 0.05 . 1 . . . . . . . . 5943 1 876 . 1 1 88 88 VAL HG11 H 1 0.693 0.05 . 2 . . . . . . . . 5943 1 877 . 1 1 88 88 VAL HG12 H 1 0.693 0.05 . 2 . . . . . . . . 5943 1 878 . 1 1 88 88 VAL HG13 H 1 0.693 0.05 . 2 . . . . . . . . 5943 1 879 . 1 1 88 88 VAL HG21 H 1 0.95 0.05 . 2 . . . . . . . . 5943 1 880 . 1 1 88 88 VAL HG22 H 1 0.95 0.05 . 2 . . . . . . . . 5943 1 881 . 1 1 88 88 VAL HG23 H 1 0.95 0.05 . 2 . . . . . . . . 5943 1 882 . 1 1 88 88 VAL C C 13 172.90 0.05 . 1 . . . . . . . . 5943 1 883 . 1 1 88 88 VAL CA C 13 58.93 0.05 . 1 . . . . . . . . 5943 1 884 . 1 1 88 88 VAL CB C 13 30.66 0.05 . 1 . . . . . . . . 5943 1 885 . 1 1 88 88 VAL N N 15 129.53 0.05 . 1 . . . . . . . . 5943 1 886 . 1 1 89 89 GLU H H 1 8.417 0.05 . 1 . . . . . . . . 5943 1 887 . 1 1 89 89 GLU HA H 1 5.374 0.05 . 1 . . . . . . . . 5943 1 888 . 1 1 89 89 GLU HB2 H 1 1.863 0.05 . 1 . . . . . . . . 5943 1 889 . 1 1 89 89 GLU HB3 H 1 1.863 0.05 . 1 . . . . . . . . 5943 1 890 . 1 1 89 89 GLU HG2 H 1 2.098 0.05 . 1 . . . . . . . . 5943 1 891 . 1 1 89 89 GLU HG3 H 1 2.098 0.05 . 1 . . . . . . . . 5943 1 892 . 1 1 89 89 GLU C C 13 172.75 0.05 . 1 . . . . . . . . 5943 1 893 . 1 1 89 89 GLU CA C 13 52.62 0.05 . 1 . . . . . . . . 5943 1 894 . 1 1 89 89 GLU CB C 13 32.43 0.05 . 1 . . . . . . . . 5943 1 895 . 1 1 89 89 GLU CG C 13 32.72 0.05 . 1 . . . . . . . . 5943 1 896 . 1 1 89 89 GLU N N 15 123 0.05 . 1 . . . . . . . . 5943 1 897 . 1 1 90 90 ASN H H 1 8.881 0.05 . 1 . . . . . . . . 5943 1 898 . 1 1 90 90 ASN HA H 1 4.735 0.05 . 1 . . . . . . . . 5943 1 899 . 1 1 90 90 ASN HB2 H 1 3.351 0.05 . 2 . . . . . . . . 5943 1 900 . 1 1 90 90 ASN HB3 H 1 3.848 0.05 . 2 . . . . . . . . 5943 1 901 . 1 1 90 90 ASN HD21 H 1 8.369 0.05 . 2 . . . . . . . . 5943 1 902 . 1 1 90 90 ASN HD22 H 1 7.266 0.05 . 2 . . . . . . . . 5943 1 903 . 1 1 90 90 ASN C C 13 172.90 0.05 . 1 . . . . . . . . 5943 1 904 . 1 1 90 90 ASN CA C 13 49.63 0.05 . 1 . . . . . . . . 5943 1 905 . 1 1 90 90 ASN CB C 13 38.17 0.05 . 1 . . . . . . . . 5943 1 906 . 1 1 90 90 ASN N N 15 119.69 0.05 . 1 . . . . . . . . 5943 1 907 . 1 1 91 91 GLU H H 1 9.133 0.05 . 1 . . . . . . . . 5943 1 908 . 1 1 91 91 GLU HA H 1 3.931 0.05 . 1 . . . . . . . . 5943 1 909 . 1 1 91 91 GLU HB2 H 1 1.471 0.05 . 2 . . . . . . . . 5943 1 910 . 1 1 91 91 GLU HB3 H 1 1.733 0.05 . 2 . . . . . . . . 5943 1 911 . 1 1 91 91 GLU HG2 H 1 2.065 0.05 . 2 . . . . . . . . 5943 1 912 . 1 1 91 91 GLU HG3 H 1 2.62 0.05 . 2 . . . . . . . . 5943 1 913 . 1 1 91 91 GLU C C 13 173.63 0.05 . 1 . . . . . . . . 5943 1 914 . 1 1 91 91 GLU CA C 13 56.3 0.05 . 1 . . . . . . . . 5943 1 915 . 1 1 91 91 GLU CB C 13 26.88 0.05 . 1 . . . . . . . . 5943 1 916 . 1 1 91 91 GLU N N 15 115.62 0.05 . 1 . . . . . . . . 5943 1 917 . 1 1 92 92 TYR H H 1 7.888 0.05 . 1 . . . . . . . . 5943 1 918 . 1 1 92 92 TYR HA H 1 4.594 0.05 . 1 . . . . . . . . 5943 1 919 . 1 1 92 92 TYR HB2 H 1 2.481 0.05 . 2 . . . . . . . . 5943 1 920 . 1 1 92 92 TYR HB3 H 1 3.369 0.05 . 2 . . . . . . . . 5943 1 921 . 1 1 92 92 TYR HD1 H 1 7.452 0.05 . 1 . . . . . . . . 5943 1 922 . 1 1 92 92 TYR HD2 H 1 7.452 0.05 . 1 . . . . . . . . 5943 1 923 . 1 1 92 92 TYR HE1 H 1 6.983 0.05 . 1 . . . . . . . . 5943 1 924 . 1 1 92 92 TYR HE2 H 1 6.983 0.05 . 1 . . . . . . . . 5943 1 925 . 1 1 92 92 TYR C C 13 173.73 0.05 . 1 . . . . . . . . 5943 1 926 . 1 1 92 92 TYR CA C 13 55.6 0.05 . 1 . . . . . . . . 5943 1 927 . 1 1 92 92 TYR CB C 13 36.45 0.05 . 1 . . . . . . . . 5943 1 928 . 1 1 92 92 TYR N N 15 116.37 0.05 . 1 . . . . . . . . 5943 1 929 . 1 1 93 93 GLY H H 1 7.728 0.05 . 1 . . . . . . . . 5943 1 930 . 1 1 93 93 GLY HA2 H 1 4.044 0.05 . 2 . . . . . . . . 5943 1 931 . 1 1 93 93 GLY HA3 H 1 4.339 0.05 . 2 . . . . . . . . 5943 1 932 . 1 1 93 93 GLY C C 13 173.19 0.05 . 1 . . . . . . . . 5943 1 933 . 1 1 93 93 GLY CA C 13 43.74 0.05 . 1 . . . . . . . . 5943 1 934 . 1 1 93 93 GLY N N 15 107.05 0.05 . 1 . . . . . . . . 5943 1 935 . 1 1 94 94 SER H H 1 8.054 0.05 . 1 . . . . . . . . 5943 1 936 . 1 1 94 94 SER HA H 1 5.372 0.05 . 1 . . . . . . . . 5943 1 937 . 1 1 94 94 SER HB2 H 1 3.603 0.05 . 1 . . . . . . . . 5943 1 938 . 1 1 94 94 SER HB3 H 1 3.603 0.05 . 1 . . . . . . . . 5943 1 939 . 1 1 94 94 SER C C 13 167.43 0.05 . 1 . . . . . . . . 5943 1 940 . 1 1 94 94 SER CA C 13 53.94 0.05 . 1 . . . . . . . . 5943 1 941 . 1 1 94 94 SER CB C 13 63.27 0.05 . 1 . . . . . . . . 5943 1 942 . 1 1 94 94 SER N N 15 111.36 0.05 . 1 . . . . . . . . 5943 1 943 . 1 1 95 95 ILE H H 1 8.841 0.05 . 1 . . . . . . . . 5943 1 944 . 1 1 95 95 ILE HA H 1 4.684 0.05 . 1 . . . . . . . . 5943 1 945 . 1 1 95 95 ILE HB H 1 1.604 0.05 . 1 . . . . . . . . 5943 1 946 . 1 1 95 95 ILE HG12 H 1 0.85 0.05 . 1 . . . . . . . . 5943 1 947 . 1 1 95 95 ILE HG13 H 1 1.307 0.05 . 1 . . . . . . . . 5943 1 948 . 1 1 95 95 ILE HG21 H 1 0.657 0.05 . 1 . . . . . . . . 5943 1 949 . 1 1 95 95 ILE HG22 H 1 0.657 0.05 . 1 . . . . . . . . 5943 1 950 . 1 1 95 95 ILE HG23 H 1 0.657 0.05 . 1 . . . . . . . . 5943 1 951 . 1 1 95 95 ILE HD11 H 1 0.45 0.05 . 1 . . . . . . . . 5943 1 952 . 1 1 95 95 ILE HD12 H 1 0.45 0.05 . 1 . . . . . . . . 5943 1 953 . 1 1 95 95 ILE HD13 H 1 0.45 0.05 . 1 . . . . . . . . 5943 1 954 . 1 1 95 95 ILE C C 13 171.00 0.05 . 1 . . . . . . . . 5943 1 955 . 1 1 95 95 ILE CA C 13 58.09 0.05 . 1 . . . . . . . . 5943 1 956 . 1 1 95 95 ILE CB C 13 38.91 0.05 . 1 . . . . . . . . 5943 1 957 . 1 1 95 95 ILE N N 15 119.73 0.05 . 1 . . . . . . . . 5943 1 958 . 1 1 96 96 ASN H H 1 8.719 0.05 . 1 . . . . . . . . 5943 1 959 . 1 1 96 96 ASN HA H 1 6.046 0.05 . 1 . . . . . . . . 5943 1 960 . 1 1 96 96 ASN HB2 H 1 2.357 0.05 . 2 . . . . . . . . 5943 1 961 . 1 1 96 96 ASN HB3 H 1 2.678 0.05 . 2 . . . . . . . . 5943 1 962 . 1 1 96 96 ASN HD21 H 1 6.824 0.05 . 2 . . . . . . . . 5943 1 963 . 1 1 96 96 ASN HD22 H 1 7.495 0.05 . 2 . . . . . . . . 5943 1 964 . 1 1 96 96 ASN C C 13 171.12 0.05 . 1 . . . . . . . . 5943 1 965 . 1 1 96 96 ASN CA C 13 50.4 0.05 . 1 . . . . . . . . 5943 1 966 . 1 1 96 96 ASN CB C 13 40.92 0.05 . 1 . . . . . . . . 5943 1 967 . 1 1 96 96 ASN N N 15 114.65 0.05 . 1 . . . . . . . . 5943 1 968 . 1 1 97 97 HIS H H 1 8.217 0.05 . 1 . . . . . . . . 5943 1 969 . 1 1 97 97 HIS HA H 1 4.687 0.05 . 1 . . . . . . . . 5943 1 970 . 1 1 97 97 HIS HB2 H 1 2.564 0.05 . 1 . . . . . . . . 5943 1 971 . 1 1 97 97 HIS HB3 H 1 2.564 0.05 . 1 . . . . . . . . 5943 1 972 . 1 1 97 97 HIS HD2 H 1 6.801 0.05 . 1 . . . . . . . . 5943 1 973 . 1 1 97 97 HIS HE1 H 1 7.452 0.05 . 1 . . . . . . . . 5943 1 974 . 1 1 97 97 HIS C C 13 170.94 0.05 . 1 . . . . . . . . 5943 1 975 . 1 1 97 97 HIS CA C 13 54.26 0.05 . 1 . . . . . . . . 5943 1 976 . 1 1 97 97 HIS CB C 13 32.21 0.05 . 1 . . . . . . . . 5943 1 977 . 1 1 97 97 HIS N N 15 119.9 0.05 . 1 . . . . . . . . 5943 1 978 . 1 1 98 98 THR H H 1 7.102 0.05 . 1 . . . . . . . . 5943 1 979 . 1 1 98 98 THR HA H 1 5.048 0.05 . 1 . . . . . . . . 5943 1 980 . 1 1 98 98 THR HB H 1 3.511 0.05 . 1 . . . . . . . . 5943 1 981 . 1 1 98 98 THR HG21 H 1 0.825 0.05 . 1 . . . . . . . . 5943 1 982 . 1 1 98 98 THR HG22 H 1 0.825 0.05 . 1 . . . . . . . . 5943 1 983 . 1 1 98 98 THR HG23 H 1 0.825 0.05 . 1 . . . . . . . . 5943 1 984 . 1 1 98 98 THR C C 13 170.33 0.05 . 1 . . . . . . . . 5943 1 985 . 1 1 98 98 THR CA C 13 59.96 0.05 . 1 . . . . . . . . 5943 1 986 . 1 1 98 98 THR CB C 13 68.63 0.05 . 1 . . . . . . . . 5943 1 987 . 1 1 98 98 THR N N 15 120.46 0.05 . 1 . . . . . . . . 5943 1 988 . 1 1 99 99 TYR H H 1 9.245 0.05 . 1 . . . . . . . . 5943 1 989 . 1 1 99 99 TYR HA H 1 4.902 0.05 . 1 . . . . . . . . 5943 1 990 . 1 1 99 99 TYR HB2 H 1 1.849 0.05 . 2 . . . . . . . . 5943 1 991 . 1 1 99 99 TYR HB3 H 1 2.47 0.05 . 2 . . . . . . . . 5943 1 992 . 1 1 99 99 TYR HD1 H 1 7.147 0.05 . 1 . . . . . . . . 5943 1 993 . 1 1 99 99 TYR HD2 H 1 7.147 0.05 . 1 . . . . . . . . 5943 1 994 . 1 1 99 99 TYR HE1 H 1 6.776 0.05 . 1 . . . . . . . . 5943 1 995 . 1 1 99 99 TYR HE2 H 1 6.776 0.05 . 1 . . . . . . . . 5943 1 996 . 1 1 99 99 TYR C C 13 170.01 0.05 . 1 . . . . . . . . 5943 1 997 . 1 1 99 99 TYR CA C 13 54.34 0.05 . 1 . . . . . . . . 5943 1 998 . 1 1 99 99 TYR CB C 13 39.74 0.05 . 1 . . . . . . . . 5943 1 999 . 1 1 99 99 TYR N N 15 125.12 0.05 . 1 . . . . . . . . 5943 1 1000 . 1 1 100 100 HIS H H 1 9.269 0.05 . 1 . . . . . . . . 5943 1 1001 . 1 1 100 100 HIS HA H 1 5.355 0.05 . 1 . . . . . . . . 5943 1 1002 . 1 1 100 100 HIS HB2 H 1 3.172 0.05 . 2 . . . . . . . . 5943 1 1003 . 1 1 100 100 HIS HB3 H 1 3.225 0.05 . 2 . . . . . . . . 5943 1 1004 . 1 1 100 100 HIS HD2 H 1 6.971 0.05 . 1 . . . . . . . . 5943 1 1005 . 1 1 100 100 HIS HE1 H 1 7.223 0.05 . 1 . . . . . . . . 5943 1 1006 . 1 1 100 100 HIS C C 13 172.33 0.05 . 1 . . . . . . . . 5943 1 1007 . 1 1 100 100 HIS CA C 13 52.96 0.05 . 1 . . . . . . . . 5943 1 1008 . 1 1 100 100 HIS CB C 13 28.37 0.05 . 1 . . . . . . . . 5943 1 1009 . 1 1 100 100 HIS N N 15 120.47 0.05 . 1 . . . . . . . . 5943 1 1010 . 1 1 101 101 LEU H H 1 8.991 0.05 . 1 . . . . . . . . 5943 1 1011 . 1 1 101 101 LEU HA H 1 5.305 0.05 . 1 . . . . . . . . 5943 1 1012 . 1 1 101 101 LEU HB2 H 1 2.319 0.05 . 1 . . . . . . . . 5943 1 1013 . 1 1 101 101 LEU HB3 H 1 2.319 0.05 . 1 . . . . . . . . 5943 1 1014 . 1 1 101 101 LEU HG H 1 1.344 0.05 . 1 . . . . . . . . 5943 1 1015 . 1 1 101 101 LEU HD11 H 1 0.907 0.05 . 1 . . . . . . . . 5943 1 1016 . 1 1 101 101 LEU HD12 H 1 0.907 0.05 . 1 . . . . . . . . 5943 1 1017 . 1 1 101 101 LEU HD13 H 1 0.907 0.05 . 1 . . . . . . . . 5943 1 1018 . 1 1 101 101 LEU HD21 H 1 0.64 0.05 . 1 . . . . . . . . 5943 1 1019 . 1 1 101 101 LEU HD22 H 1 0.64 0.05 . 1 . . . . . . . . 5943 1 1020 . 1 1 101 101 LEU HD23 H 1 0.64 0.05 . 1 . . . . . . . . 5943 1 1021 . 1 1 101 101 LEU C C 13 170.19 0.05 . 1 . . . . . . . . 5943 1 1022 . 1 1 101 101 LEU CA C 13 51.22 0.05 . 1 . . . . . . . . 5943 1 1023 . 1 1 101 101 LEU CB C 13 43.09 0.05 . 1 . . . . . . . . 5943 1 1024 . 1 1 101 101 LEU N N 15 128.24 0.05 . 1 . . . . . . . . 5943 1 1025 . 1 1 102 102 ASP H H 1 9.109 0.05 . 1 . . . . . . . . 5943 1 1026 . 1 1 102 102 ASP HA H 1 5.098 0.05 . 1 . . . . . . . . 5943 1 1027 . 1 1 102 102 ASP HB2 H 1 2.553 0.05 . 2 . . . . . . . . 5943 1 1028 . 1 1 102 102 ASP HB3 H 1 2.642 0.05 . 2 . . . . . . . . 5943 1 1029 . 1 1 102 102 ASP C C 13 172.06 0.05 . 1 . . . . . . . . 5943 1 1030 . 1 1 102 102 ASP CA C 13 50.98 0.05 . 1 . . . . . . . . 5943 1 1031 . 1 1 102 102 ASP CB C 13 41.41 0.05 . 1 . . . . . . . . 5943 1 1032 . 1 1 102 102 ASP N N 15 126.56 0.05 . 1 . . . . . . . . 5943 1 1033 . 1 1 103 103 VAL H H 1 7.725 0.05 . 1 . . . . . . . . 5943 1 1034 . 1 1 103 103 VAL HA H 1 4.903 0.05 . 1 . . . . . . . . 5943 1 1035 . 1 1 103 103 VAL HB H 1 1.765 0.05 . 1 . . . . . . . . 5943 1 1036 . 1 1 103 103 VAL HG11 H 1 0.602 0.05 . 2 . . . . . . . . 5943 1 1037 . 1 1 103 103 VAL HG12 H 1 0.602 0.05 . 2 . . . . . . . . 5943 1 1038 . 1 1 103 103 VAL HG13 H 1 0.602 0.05 . 2 . . . . . . . . 5943 1 1039 . 1 1 103 103 VAL HG21 H 1 0.727 0.05 . 2 . . . . . . . . 5943 1 1040 . 1 1 103 103 VAL HG22 H 1 0.727 0.05 . 2 . . . . . . . . 5943 1 1041 . 1 1 103 103 VAL HG23 H 1 0.727 0.05 . 2 . . . . . . . . 5943 1 1042 . 1 1 103 103 VAL C C 13 172.11 0.05 . 1 . . . . . . . . 5943 1 1043 . 1 1 103 103 VAL CA C 13 58.71 0.05 . 1 . . . . . . . . 5943 1 1044 . 1 1 103 103 VAL CB C 13 31.24 0.05 . 1 . . . . . . . . 5943 1 1045 . 1 1 103 103 VAL CG1 C 13 17.32 0.05 . 2 . . . . . . . . 5943 1 1046 . 1 1 103 103 VAL CG2 C 13 17.02 0.05 . 2 . . . . . . . . 5943 1 1047 . 1 1 103 103 VAL N N 15 122.36 0.05 . 1 . . . . . . . . 5943 1 1048 . 1 1 104 104 VAL H H 1 8.355 0.05 . 1 . . . . . . . . 5943 1 1049 . 1 1 104 104 VAL HA H 1 4.204 0.05 . 1 . . . . . . . . 5943 1 1050 . 1 1 104 104 VAL HB H 1 1.805 0.05 . 1 . . . . . . . . 5943 1 1051 . 1 1 104 104 VAL HG11 H 1 0.628 0.05 . 2 . . . . . . . . 5943 1 1052 . 1 1 104 104 VAL HG12 H 1 0.628 0.05 . 2 . . . . . . . . 5943 1 1053 . 1 1 104 104 VAL HG13 H 1 0.628 0.05 . 2 . . . . . . . . 5943 1 1054 . 1 1 104 104 VAL HG21 H 1 0.829 0.05 . 2 . . . . . . . . 5943 1 1055 . 1 1 104 104 VAL HG22 H 1 0.829 0.05 . 2 . . . . . . . . 5943 1 1056 . 1 1 104 104 VAL HG23 H 1 0.829 0.05 . 2 . . . . . . . . 5943 1 1057 . 1 1 104 104 VAL C C 13 173.19 0.05 . 1 . . . . . . . . 5943 1 1058 . 1 1 104 104 VAL CA C 13 58.64 0.05 . 1 . . . . . . . . 5943 1 1059 . 1 1 104 104 VAL CB C 13 31.07 0.05 . 1 . . . . . . . . 5943 1 1060 . 1 1 104 104 VAL N N 15 126.18 0.05 . 1 . . . . . . . . 5943 1 1061 . 1 1 105 105 LEU H H 1 8.546 0.05 . 1 . . . . . . . . 5943 1 1062 . 1 1 105 105 LEU HA H 1 4.445 0.05 . 1 . . . . . . . . 5943 1 1063 . 1 1 105 105 LEU HB2 H 1 1.588 0.05 . 1 . . . . . . . . 5943 1 1064 . 1 1 105 105 LEU HB3 H 1 1.588 0.05 . 1 . . . . . . . . 5943 1 1065 . 1 1 105 105 LEU HG H 1 1.313 0.05 . 1 . . . . . . . . 5943 1 1066 . 1 1 105 105 LEU HD11 H 1 0.871 0.05 . 1 . . . . . . . . 5943 1 1067 . 1 1 105 105 LEU HD12 H 1 0.871 0.05 . 1 . . . . . . . . 5943 1 1068 . 1 1 105 105 LEU HD13 H 1 0.871 0.05 . 1 . . . . . . . . 5943 1 1069 . 1 1 105 105 LEU HD21 H 1 0.871 0.05 . 1 . . . . . . . . 5943 1 1070 . 1 1 105 105 LEU HD22 H 1 0.871 0.05 . 1 . . . . . . . . 5943 1 1071 . 1 1 105 105 LEU HD23 H 1 0.871 0.05 . 1 . . . . . . . . 5943 1 1072 . 1 1 105 105 LEU C C 13 172.86 0.05 . 1 . . . . . . . . 5943 1 1073 . 1 1 105 105 LEU CA C 13 52.5 0.05 . 1 . . . . . . . . 5943 1 1074 . 1 1 105 105 LEU CB C 13 39.87 0.05 . 1 . . . . . . . . 5943 1 1075 . 1 1 105 105 LEU N N 15 126.35 0.05 . 1 . . . . . . . . 5943 1 1076 . 1 1 106 106 VAL H H 1 8.116 0.05 . 1 . . . . . . . . 5943 1 1077 . 1 1 106 106 VAL HA H 1 4.43 0.05 . 1 . . . . . . . . 5943 1 1078 . 1 1 106 106 VAL HB H 1 2.038 0.05 . 1 . . . . . . . . 5943 1 1079 . 1 1 106 106 VAL HG11 H 1 0.903 0.05 . 2 . . . . . . . . 5943 1 1080 . 1 1 106 106 VAL HG12 H 1 0.903 0.05 . 2 . . . . . . . . 5943 1 1081 . 1 1 106 106 VAL HG13 H 1 0.903 0.05 . 2 . . . . . . . . 5943 1 1082 . 1 1 106 106 VAL HG21 H 1 0.949 0.05 . 2 . . . . . . . . 5943 1 1083 . 1 1 106 106 VAL HG22 H 1 0.949 0.05 . 2 . . . . . . . . 5943 1 1084 . 1 1 106 106 VAL HG23 H 1 0.949 0.05 . 2 . . . . . . . . 5943 1 1085 . 1 1 106 106 VAL C C 13 174.42 0.05 . 1 . . . . . . . . 5943 1 1086 . 1 1 106 106 VAL CA C 13 57.35 0.05 . 1 . . . . . . . . 5943 1 1087 . 1 1 106 106 VAL CB C 13 30.37 0.05 . 1 . . . . . . . . 5943 1 1088 . 1 1 106 106 VAL CG1 C 13 18.37 0.05 . 1 . . . . . . . . 5943 1 1089 . 1 1 106 106 VAL CG2 C 13 18.37 0.05 . 1 . . . . . . . . 5943 1 1090 . 1 1 106 106 VAL N N 15 122.53 0.05 . 1 . . . . . . . . 5943 1 1091 . 1 1 107 107 PRO HA H 1 4.369 0.05 . 1 . . . . . . . . 5943 1 1092 . 1 1 107 107 PRO HB2 H 1 2.038 0.05 . 2 . . . . . . . . 5943 1 1093 . 1 1 107 107 PRO HB3 H 1 2.262 0.05 . 2 . . . . . . . . 5943 1 1094 . 1 1 107 107 PRO HG2 H 1 1.877 0.05 . 2 . . . . . . . . 5943 1 1095 . 1 1 107 107 PRO HG3 H 1 1.934 0.05 . 2 . . . . . . . . 5943 1 1096 . 1 1 107 107 PRO HD2 H 1 3.66 0.05 . 2 . . . . . . . . 5943 1 1097 . 1 1 107 107 PRO HD3 H 1 3.832 0.05 . 2 . . . . . . . . 5943 1 1098 . 1 1 107 107 PRO CA C 13 60.78 0.05 . 1 . . . . . . . . 5943 1 1099 . 1 1 107 107 PRO CB C 13 28.59 0.05 . 1 . . . . . . . . 5943 1 1100 . 1 1 107 107 PRO CG C 13 29.99 0.05 . 1 . . . . . . . . 5943 1 1101 . 1 1 107 107 PRO CD C 13 48.95 0.05 . 1 . . . . . . . . 5943 1 1102 . 1 1 108 108 ARG H H 1 8.508 0.05 . 1 . . . . . . . . 5943 1 1103 . 1 1 108 108 ARG HA H 1 4.282 0.05 . 1 . . . . . . . . 5943 1 1104 . 1 1 108 108 ARG HB2 H 1 1.812 0.05 . 2 . . . . . . . . 5943 1 1105 . 1 1 108 108 ARG HB3 H 1 1.86 0.05 . 2 . . . . . . . . 5943 1 1106 . 1 1 108 108 ARG HG2 H 1 1.689 0.05 . 1 . . . . . . . . 5943 1 1107 . 1 1 108 108 ARG HG3 H 1 1.689 0.05 . 1 . . . . . . . . 5943 1 1108 . 1 1 108 108 ARG HD2 H 1 3.174 0.05 . 2 . . . . . . . . 5943 1 1109 . 1 1 108 108 ARG HD3 H 1 3.213 0.05 . 2 . . . . . . . . 5943 1 1110 . 1 1 108 108 ARG C C 13 174.63 0.05 . 1 . . . . . . . . 5943 1 1111 . 1 1 108 108 ARG CA C 13 54.29 0.05 . 1 . . . . . . . . 5943 1 1112 . 1 1 108 108 ARG CB C 13 27.09 0.05 . 1 . . . . . . . . 5943 1 1113 . 1 1 108 108 ARG CD C 13 41 0.05 . 1 . . . . . . . . 5943 1 1114 . 1 1 108 108 ARG N N 15 121.9 0.05 . 1 . . . . . . . . 5943 1 1115 . 1 1 109 109 GLY H H 1 8.503 0.05 . 1 . . . . . . . . 5943 1 1116 . 1 1 109 109 GLY HA2 H 1 3.966 0.05 . 1 . . . . . . . . 5943 1 1117 . 1 1 109 109 GLY HA3 H 1 3.966 0.05 . 1 . . . . . . . . 5943 1 1118 . 1 1 109 109 GLY C C 13 174.86 0.05 . 1 . . . . . . . . 5943 1 1119 . 1 1 109 109 GLY CA C 13 43.08 0.05 . 1 . . . . . . . . 5943 1 1120 . 1 1 109 109 GLY N N 15 110 0.05 . 1 . . . . . . . . 5943 1 1121 . 1 1 110 110 SER H H 1 8.167 0.05 . 1 . . . . . . . . 5943 1 1122 . 1 1 110 110 SER HA H 1 4.46 0.05 . 1 . . . . . . . . 5943 1 1123 . 1 1 110 110 SER HB2 H 1 3.957 0.05 . 1 . . . . . . . . 5943 1 1124 . 1 1 110 110 SER HB3 H 1 3.957 0.05 . 1 . . . . . . . . 5943 1 1125 . 1 1 110 110 SER C C 13 171.95 0.05 . 1 . . . . . . . . 5943 1 1126 . 1 1 110 110 SER CA C 13 56.34 0.05 . 1 . . . . . . . . 5943 1 1127 . 1 1 110 110 SER CB C 13 59.15 0.05 . 1 . . . . . . . . 5943 1 1128 . 1 1 110 110 SER N N 15 115.2 0.05 . 1 . . . . . . . . 5943 1 1129 . 1 1 111 111 LEU H H 1 8.281 0.05 . 1 . . . . . . . . 5943 1 1130 . 1 1 111 111 LEU HA H 1 4.391 0.05 . 1 . . . . . . . . 5943 1 1131 . 1 1 111 111 LEU HB2 H 1 1.571 0.05 . 2 . . . . . . . . 5943 1 1132 . 1 1 111 111 LEU HB3 H 1 1.771 0.05 . 2 . . . . . . . . 5943 1 1133 . 1 1 111 111 LEU HG H 1 1.401 0.05 . 1 . . . . . . . . 5943 1 1134 . 1 1 111 111 LEU HD11 H 1 0.887 0.05 . 1 . . . . . . . . 5943 1 1135 . 1 1 111 111 LEU HD12 H 1 0.887 0.05 . 1 . . . . . . . . 5943 1 1136 . 1 1 111 111 LEU HD13 H 1 0.887 0.05 . 1 . . . . . . . . 5943 1 1137 . 1 1 111 111 LEU HD21 H 1 0.887 0.05 . 1 . . . . . . . . 5943 1 1138 . 1 1 111 111 LEU HD22 H 1 0.887 0.05 . 1 . . . . . . . . 5943 1 1139 . 1 1 111 111 LEU HD23 H 1 0.887 0.05 . 1 . . . . . . . . 5943 1 1140 . 1 1 111 111 LEU C C 13 172.46 0.05 . 1 . . . . . . . . 5943 1 1141 . 1 1 111 111 LEU CA C 13 53.03 0.05 . 1 . . . . . . . . 5943 1 1142 . 1 1 111 111 LEU CB C 13 40.12 0.05 . 1 . . . . . . . . 5943 1 1143 . 1 1 111 111 LEU N N 15 123.5 0.05 . 1 . . . . . . . . 5943 1 1144 . 1 1 112 112 GLU H H 1 8.185 0.05 . 1 . . . . . . . . 5943 1 1145 . 1 1 112 112 GLU HA H 1 4.287 0.05 . 1 . . . . . . . . 5943 1 1146 . 1 1 112 112 GLU HB2 H 1 1.829 0.05 . 1 . . . . . . . . 5943 1 1147 . 1 1 112 112 GLU HB3 H 1 1.829 0.05 . 1 . . . . . . . . 5943 1 1148 . 1 1 112 112 GLU HG2 H 1 2.215 0.05 . 1 . . . . . . . . 5943 1 1149 . 1 1 112 112 GLU HG3 H 1 2.215 0.05 . 1 . . . . . . . . 5943 1 1150 . 1 1 112 112 GLU C C 13 175.05 0.05 . 1 . . . . . . . . 5943 1 1151 . 1 1 112 112 GLU CA C 13 54.29 0.05 . 1 . . . . . . . . 5943 1 1152 . 1 1 112 112 GLU N N 15 120.5 0.05 . 1 . . . . . . . . 5943 1 1153 . 1 1 113 113 HIS H H 1 8.27 0.05 . 1 . . . . . . . . 5943 1 1154 . 1 1 113 113 HIS C C 13 173.79 0.05 . 1 . . . . . . . . 5943 1 1155 . 1 1 113 113 HIS CA C 13 53.32 0.05 . 1 . . . . . . . . 5943 1 1156 . 1 1 113 113 HIS N N 15 119.4 0.05 . 1 . . . . . . . . 5943 1 stop_ save_