data_19290 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19290 _Entry.Title ; NMR structure of human TDP-43 tandem RRMs in complex with UG-rich RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-06-07 _Entry.Accession_date 2013-06-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Peter Lukavsky . Josef. . 19290 2 D. Daujotyte . . . 19290 3 J. Tollervey . R. . 19290 4 J. Ule . . . 19290 5 C. Stuani . . . 19290 6 E. Buratti . . . 19290 7 F. Baralle . E. . 19290 8 F. Damberger . F. . 19290 9 F. Allain . H.T. . 19290 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19290 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . LukavskyGroup . 19290 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'alternative splicing' . 19290 'cystic fibrosis' . 19290 'hammerhead ribozyme' . 19290 'HAMMERHEA RIBOZYME' . 19290 hnRNP . 19290 'isotope-labelled RNA' . 19290 'ISOTOPE- LABELLED RNA' . 19290 'NEURODEGENERA SOLUTION NMR SPECTROSCOPY' . 19290 neurodegeneration . 19290 'RNA-protein complex' . 19290 'solution NMR spectroscopy' . 19290 TDP-43 . 19290 TRANSCRIPTION . 19290 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19290 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 864 19290 '15N chemical shifts' 182 19290 '1H chemical shifts' 1327 19290 '31P chemical shifts' 11 19290 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2014-02-05 2013-06-07 update BMRB 'update entry citation' 19290 2 . . 2013-11-26 2013-06-07 update author 'add chemical shifts of RNA' 19290 1 . . 2013-06-28 2013-06-07 original author 'original release' 19290 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4bs2 'NMR structure of human TDP-43 tandem RRMs in complex with UG-rich RNA' 19290 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19290 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24240615 _Citation.Full_citation . _Citation.Title 'Molecular basis of UG-rich RNA recognition by the human splicing factor TDP-43.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 20 _Citation.Journal_issue 12 _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 1443 _Citation.Page_last 1449 _Citation.Year 2013 _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 Peter Lukavsky . J. . 19290 1 2 Dalia Daujotyte . . . 19290 1 3 James Tollervey . R. . 19290 1 4 Jernej Ule . . . 19290 1 5 Cristiana Stuani . . . 19290 1 6 Emanuele Buratti . . . 19290 1 7 Francisco Baralle . E. . 19290 1 8 Fred Damberger . F. . 19290 1 9 'Frederic H-T' Allain . . . 19290 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19290 _Assembly.ID 1 _Assembly.Name 'NMR structure of human TDP-43 tandem RRMs in complex with UG-rich RNA' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 23888.85602 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'TAR DNA-BINDING PROTEIN 43' 1 $TAR_DNA-BINDING_PROTEIN_43 A . yes native no no . . . 19290 1 2 5'-R(*GP*UP*GP*UP*GP*AP*AP*UP*GP*AP*AP*UP)-3' 2 $5'-R(*GP*UP*GP*UP*GP*AP*AP*UP*GP*AP*AP*UP)-3' B . yes native no no . . . 19290 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TAR_DNA-BINDING_PROTEIN_43 _Entity.Sf_category entity _Entity.Sf_framecode TAR_DNA-BINDING_PROTEIN_43 _Entity.Entry_ID 19290 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TAR_DNA-BINDING_PROTEIN_43 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMASKTSDLIVLGLPWKT TEQDLKEYFSTFGEVLMVQV KKDLKTGHSKGFGFVRFTEY ETQVKVMSQRHMIDGRWCDC KLPNSKQSQDEPLRSRKVFV GRCTEDMTEDELREFFSQYG DVMDVFIPKPFRAFAFVTFA DDQIAQSLCGEDLIIKGISV HISNAEPKHNSNRQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 174 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'RNA binding domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19955.5578 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP TADBP_HUMAN . Q13148 . . . . . . . . . . . . . . 19290 1 2 yes PDB 4BS2 . 4BS2 . . . . . . . . . . . . . . 19290 1 3 no PDB 4BS2 . "Nmr Structure Of Human Tdp-43 Tandem Rrms In Complex With Ug-rich Rna" . . . . . 99.43 174 100.00 100.00 2.78e-125 . . . . 19290 1 4 no DBJ BAD96474 . "TAR DNA binding protein variant [Homo sapiens]" . . . . . 96.55 414 99.40 99.40 1.50e-119 . . . . 19290 1 5 no DBJ BAE87159 . "unnamed protein product [Macaca fascicularis]" . . . . . 95.40 298 98.80 98.80 1.55e-116 . . . . 19290 1 6 no DBJ BAG35326 . "unnamed protein product [Homo sapiens]" . . . . . 96.55 414 100.00 100.00 2.10e-120 . . . . 19290 1 7 no DBJ BAG58707 . "unnamed protein product [Homo sapiens]" . . . . . 78.16 298 99.26 100.00 3.80e-96 . . . . 19290 1 8 no DBJ BAG61425 . "unnamed protein product [Homo sapiens]" . . . . . 96.55 330 99.40 100.00 4.06e-122 . . . . 19290 1 9 no EMBL CAB43367 . "hypothetical protein [Homo sapiens]" . . . . . 96.55 414 100.00 100.00 1.86e-120 . . . . 19290 1 10 no EMBL CAG38565 . "TARDBP [Homo sapiens]" . . . . . 96.55 414 100.00 100.00 1.86e-120 . . . . 19290 1 11 no EMBL CAH92854 . "hypothetical protein [Pongo abelii]" . . . . . 96.55 414 100.00 100.00 2.06e-120 . . . . 19290 1 12 no EMBL CAL37794 . "hypothetical protein [synthetic construct]" . . . . . 96.55 414 100.00 100.00 1.82e-120 . . . . 19290 1 13 no GB AAA70033 . "TAR DNA-binding protein-43 [Homo sapiens]" . . . . . 96.55 414 100.00 100.00 1.86e-120 . . . . 19290 1 14 no GB AAH71657 . "TARDBP protein [Homo sapiens]" . . . . . 96.55 414 100.00 100.00 1.86e-120 . . . . 19290 1 15 no GB AAH95435 . "TAR DNA binding protein [Homo sapiens]" . . . . . 96.55 414 100.00 100.00 1.86e-120 . . . . 19290 1 16 no GB ABO32290 . "TDP43 [Homo sapiens]" . . . . . 96.55 416 100.00 100.00 2.34e-120 . . . . 19290 1 17 no GB ABO32291 . "TDP43 splice variant 1 [Homo sapiens]" . . . . . 96.55 414 100.00 100.00 1.86e-120 . . . . 19290 1 18 no REF NP_001127597 . "TAR DNA-binding protein 43 [Pongo abelii]" . . . . . 96.55 414 100.00 100.00 2.06e-120 . . . . 19290 1 19 no REF NP_031401 . "TAR DNA-binding protein 43 [Homo sapiens]" . . . . . 96.55 414 100.00 100.00 1.86e-120 . . . . 19290 1 20 no REF XP_001102660 . "PREDICTED: TAR DNA-binding protein 43 [Macaca mulatta]" . . . . . 96.55 414 100.00 100.00 2.37e-120 . . . . 19290 1 21 no REF XP_002750326 . "PREDICTED: TAR DNA-binding protein 43 [Callithrix jacchus]" . . . . . 96.55 414 97.62 99.40 7.05e-118 . . . . 19290 1 22 no REF XP_003274288 . "PREDICTED: TAR DNA-binding protein 43 isoform X1 [Nomascus leucogenys]" . . . . . 96.55 414 100.00 100.00 2.06e-120 . . . . 19290 1 23 no SP Q13148 . "RecName: Full=TAR DNA-binding protein 43; Short=TDP-43" . . . . . 96.55 414 100.00 100.00 1.86e-120 . . . . 19290 1 24 no SP Q5R5W2 . "RecName: Full=TAR DNA-binding protein 43; Short=TDP-43" . . . . . 96.55 414 100.00 100.00 2.06e-120 . . . . 19290 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 . GLY . 19290 1 2 . SER . 19290 1 3 . HIS . 19290 1 4 . MET . 19290 1 5 . ALA . 19290 1 6 . SER . 19290 1 7 . LYS . 19290 1 8 . THR . 19290 1 9 . SER . 19290 1 10 . ASP . 19290 1 11 . LEU . 19290 1 12 . ILE . 19290 1 13 . VAL . 19290 1 14 . LEU . 19290 1 15 . GLY . 19290 1 16 . LEU . 19290 1 17 . PRO . 19290 1 18 . TRP . 19290 1 19 . LYS . 19290 1 20 . THR . 19290 1 21 . THR . 19290 1 22 . GLU . 19290 1 23 . GLN . 19290 1 24 . ASP . 19290 1 25 . LEU . 19290 1 26 . LYS . 19290 1 27 . GLU . 19290 1 28 . TYR . 19290 1 29 . PHE . 19290 1 30 . SER . 19290 1 31 . THR . 19290 1 32 . PHE . 19290 1 33 . GLY . 19290 1 34 . GLU . 19290 1 35 . VAL . 19290 1 36 . LEU . 19290 1 37 . MET . 19290 1 38 . VAL . 19290 1 39 . GLN . 19290 1 40 . VAL . 19290 1 41 . LYS . 19290 1 42 . LYS . 19290 1 43 . ASP . 19290 1 44 . LEU . 19290 1 45 . LYS . 19290 1 46 . THR . 19290 1 47 . GLY . 19290 1 48 . HIS . 19290 1 49 . SER . 19290 1 50 . LYS . 19290 1 51 . GLY . 19290 1 52 . PHE . 19290 1 53 . GLY . 19290 1 54 . PHE . 19290 1 55 . VAL . 19290 1 56 . ARG . 19290 1 57 . PHE . 19290 1 58 . THR . 19290 1 59 . GLU . 19290 1 60 . TYR . 19290 1 61 . GLU . 19290 1 62 . THR . 19290 1 63 . GLN . 19290 1 64 . VAL . 19290 1 65 . LYS . 19290 1 66 . VAL . 19290 1 67 . MET . 19290 1 68 . SER . 19290 1 69 . GLN . 19290 1 70 . ARG . 19290 1 71 . HIS . 19290 1 72 . MET . 19290 1 73 . ILE . 19290 1 74 . ASP . 19290 1 75 . GLY . 19290 1 76 . ARG . 19290 1 77 . TRP . 19290 1 78 . CYS . 19290 1 79 . ASP . 19290 1 80 . CYS . 19290 1 81 . LYS . 19290 1 82 . LEU . 19290 1 83 . PRO . 19290 1 84 . ASN . 19290 1 85 . SER . 19290 1 86 . LYS . 19290 1 87 . GLN . 19290 1 88 . SER . 19290 1 89 . GLN . 19290 1 90 . ASP . 19290 1 91 . GLU . 19290 1 92 . PRO . 19290 1 93 . LEU . 19290 1 94 . ARG . 19290 1 95 . SER . 19290 1 96 . ARG . 19290 1 97 . LYS . 19290 1 98 . VAL . 19290 1 99 . PHE . 19290 1 100 . VAL . 19290 1 101 . GLY . 19290 1 102 . ARG . 19290 1 103 . CYS . 19290 1 104 . THR . 19290 1 105 . GLU . 19290 1 106 . ASP . 19290 1 107 . MET . 19290 1 108 . THR . 19290 1 109 . GLU . 19290 1 110 . ASP . 19290 1 111 . GLU . 19290 1 112 . LEU . 19290 1 113 . ARG . 19290 1 114 . GLU . 19290 1 115 . PHE . 19290 1 116 . PHE . 19290 1 117 . SER . 19290 1 118 . GLN . 19290 1 119 . TYR . 19290 1 120 . GLY . 19290 1 121 . ASP . 19290 1 122 . VAL . 19290 1 123 . MET . 19290 1 124 . ASP . 19290 1 125 . VAL . 19290 1 126 . PHE . 19290 1 127 . ILE . 19290 1 128 . PRO . 19290 1 129 . LYS . 19290 1 130 . PRO . 19290 1 131 . PHE . 19290 1 132 . ARG . 19290 1 133 . ALA . 19290 1 134 . PHE . 19290 1 135 . ALA . 19290 1 136 . PHE . 19290 1 137 . VAL . 19290 1 138 . THR . 19290 1 139 . PHE . 19290 1 140 . ALA . 19290 1 141 . ASP . 19290 1 142 . ASP . 19290 1 143 . GLN . 19290 1 144 . ILE . 19290 1 145 . ALA . 19290 1 146 . GLN . 19290 1 147 . SER . 19290 1 148 . LEU . 19290 1 149 . CYS . 19290 1 150 . GLY . 19290 1 151 . GLU . 19290 1 152 . ASP . 19290 1 153 . LEU . 19290 1 154 . ILE . 19290 1 155 . ILE . 19290 1 156 . LYS . 19290 1 157 . GLY . 19290 1 158 . ILE . 19290 1 159 . SER . 19290 1 160 . VAL . 19290 1 161 . HIS . 19290 1 162 . ILE . 19290 1 163 . SER . 19290 1 164 . ASN . 19290 1 165 . ALA . 19290 1 166 . GLU . 19290 1 167 . PRO . 19290 1 168 . LYS . 19290 1 169 . HIS . 19290 1 170 . ASN . 19290 1 171 . SER . 19290 1 172 . ASN . 19290 1 173 . ARG . 19290 1 174 . GLN . 19290 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19290 1 . SER 2 2 19290 1 . HIS 3 3 19290 1 . MET 4 4 19290 1 . ALA 5 5 19290 1 . SER 6 6 19290 1 . LYS 7 7 19290 1 . THR 8 8 19290 1 . SER 9 9 19290 1 . ASP 10 10 19290 1 . LEU 11 11 19290 1 . ILE 12 12 19290 1 . VAL 13 13 19290 1 . LEU 14 14 19290 1 . GLY 15 15 19290 1 . LEU 16 16 19290 1 . PRO 17 17 19290 1 . TRP 18 18 19290 1 . LYS 19 19 19290 1 . THR 20 20 19290 1 . THR 21 21 19290 1 . GLU 22 22 19290 1 . GLN 23 23 19290 1 . ASP 24 24 19290 1 . LEU 25 25 19290 1 . LYS 26 26 19290 1 . GLU 27 27 19290 1 . TYR 28 28 19290 1 . PHE 29 29 19290 1 . SER 30 30 19290 1 . THR 31 31 19290 1 . PHE 32 32 19290 1 . GLY 33 33 19290 1 . GLU 34 34 19290 1 . VAL 35 35 19290 1 . LEU 36 36 19290 1 . MET 37 37 19290 1 . VAL 38 38 19290 1 . GLN 39 39 19290 1 . VAL 40 40 19290 1 . LYS 41 41 19290 1 . LYS 42 42 19290 1 . ASP 43 43 19290 1 . LEU 44 44 19290 1 . LYS 45 45 19290 1 . THR 46 46 19290 1 . GLY 47 47 19290 1 . HIS 48 48 19290 1 . SER 49 49 19290 1 . LYS 50 50 19290 1 . GLY 51 51 19290 1 . PHE 52 52 19290 1 . GLY 53 53 19290 1 . PHE 54 54 19290 1 . VAL 55 55 19290 1 . ARG 56 56 19290 1 . PHE 57 57 19290 1 . THR 58 58 19290 1 . GLU 59 59 19290 1 . TYR 60 60 19290 1 . GLU 61 61 19290 1 . THR 62 62 19290 1 . GLN 63 63 19290 1 . VAL 64 64 19290 1 . LYS 65 65 19290 1 . VAL 66 66 19290 1 . MET 67 67 19290 1 . SER 68 68 19290 1 . GLN 69 69 19290 1 . ARG 70 70 19290 1 . HIS 71 71 19290 1 . MET 72 72 19290 1 . ILE 73 73 19290 1 . ASP 74 74 19290 1 . GLY 75 75 19290 1 . ARG 76 76 19290 1 . TRP 77 77 19290 1 . CYS 78 78 19290 1 . ASP 79 79 19290 1 . CYS 80 80 19290 1 . LYS 81 81 19290 1 . LEU 82 82 19290 1 . PRO 83 83 19290 1 . ASN 84 84 19290 1 . SER 85 85 19290 1 . LYS 86 86 19290 1 . GLN 87 87 19290 1 . SER 88 88 19290 1 . GLN 89 89 19290 1 . ASP 90 90 19290 1 . GLU 91 91 19290 1 . PRO 92 92 19290 1 . LEU 93 93 19290 1 . ARG 94 94 19290 1 . SER 95 95 19290 1 . ARG 96 96 19290 1 . LYS 97 97 19290 1 . VAL 98 98 19290 1 . PHE 99 99 19290 1 . VAL 100 100 19290 1 . GLY 101 101 19290 1 . ARG 102 102 19290 1 . CYS 103 103 19290 1 . THR 104 104 19290 1 . GLU 105 105 19290 1 . ASP 106 106 19290 1 . MET 107 107 19290 1 . THR 108 108 19290 1 . GLU 109 109 19290 1 . ASP 110 110 19290 1 . GLU 111 111 19290 1 . LEU 112 112 19290 1 . ARG 113 113 19290 1 . GLU 114 114 19290 1 . PHE 115 115 19290 1 . PHE 116 116 19290 1 . SER 117 117 19290 1 . GLN 118 118 19290 1 . TYR 119 119 19290 1 . GLY 120 120 19290 1 . ASP 121 121 19290 1 . VAL 122 122 19290 1 . MET 123 123 19290 1 . ASP 124 124 19290 1 . VAL 125 125 19290 1 . PHE 126 126 19290 1 . ILE 127 127 19290 1 . PRO 128 128 19290 1 . LYS 129 129 19290 1 . PRO 130 130 19290 1 . PHE 131 131 19290 1 . ARG 132 132 19290 1 . ALA 133 133 19290 1 . PHE 134 134 19290 1 . ALA 135 135 19290 1 . PHE 136 136 19290 1 . VAL 137 137 19290 1 . THR 138 138 19290 1 . PHE 139 139 19290 1 . ALA 140 140 19290 1 . ASP 141 141 19290 1 . ASP 142 142 19290 1 . GLN 143 143 19290 1 . ILE 144 144 19290 1 . ALA 145 145 19290 1 . GLN 146 146 19290 1 . SER 147 147 19290 1 . LEU 148 148 19290 1 . CYS 149 149 19290 1 . GLY 150 150 19290 1 . GLU 151 151 19290 1 . ASP 152 152 19290 1 . LEU 153 153 19290 1 . ILE 154 154 19290 1 . ILE 155 155 19290 1 . LYS 156 156 19290 1 . GLY 157 157 19290 1 . ILE 158 158 19290 1 . SER 159 159 19290 1 . VAL 160 160 19290 1 . HIS 161 161 19290 1 . ILE 162 162 19290 1 . SER 163 163 19290 1 . ASN 164 164 19290 1 . ALA 165 165 19290 1 . GLU 166 166 19290 1 . PRO 167 167 19290 1 . LYS 168 168 19290 1 . HIS 169 169 19290 1 . ASN 170 170 19290 1 . SER 171 171 19290 1 . ASN 172 172 19290 1 . ARG 173 173 19290 1 . GLN 174 174 19290 1 stop_ save_ save_5'-R(*GP*UP*GP*UP*GP*AP*AP*UP*GP*AP*AP*UP)-3' _Entity.Sf_category entity _Entity.Sf_framecode 5'-R(*GP*UP*GP*UP*GP*AP*AP*UP*GP*AP*AP*UP)-3' _Entity.Entry_ID 19290 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 5'-R(*GP*UP*GP*UP*GP*AP*AP*UP*GP*AP*AP*UP)-3' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GUGUGAAUGAAU _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality yes _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment 'UG-rich RNA' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3933.29822 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes PDB 4BS2 . 4BS2 . . . . . . . . . . . . . . 19290 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 19290 2 2 . U . 19290 2 3 . G . 19290 2 4 . U . 19290 2 5 . G . 19290 2 6 . A . 19290 2 7 . A . 19290 2 8 . U . 19290 2 9 . G . 19290 2 10 . A . 19290 2 11 . A . 19290 2 12 . U . 19290 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . G 1 1 19290 2 . U 2 2 19290 2 . G 3 3 19290 2 . U 4 4 19290 2 . G 5 5 19290 2 . A 6 6 19290 2 . A 7 7 19290 2 . U 8 8 19290 2 . G 9 9 19290 2 . A 10 10 19290 2 . A 11 11 19290 2 . U 12 12 19290 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19290 _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 $TAR_DNA-BINDING_PROTEIN_43 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19290 1 2 2 $5'-R(*GP*UP*GP*UP*GP*AP*AP*UP*GP*AP*AP*UP)-3' . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19290 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 19290 _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 $TAR_DNA-BINDING_PROTEIN_43 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3)-RIL . . . . . . . . . . . . n/a . . . . . . . . . 19290 1 2 2 $5'-R(*GP*UP*GP*UP*GP*AP*AP*UP*GP*AP*AP*UP)-3' . 'chemical synthesis' unknown unknown . . . . . . . . . . . . . . . . . n/a . . . . . . . . . 19290 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19290 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mmol/l' _Sample.Aggregate_sample_number . _Sample.Solvent_system 94%water/6%D2O _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TAR DNA-BINDING PROTEIN 43' '[U-13C; U-15N]' . . 1 $TAR_DNA-BINDING_PROTEIN_43 . . 0.7 . . mM . . . . 19290 1 2 5'-R(*GP*UP*GP*UP*GP*AP*AP*UP*GP*AP*AP*UP)-3' 'natural abundance' . . 2 $5'-R(*GP*UP*GP*UP*GP*AP*AP*UP*GP*AP*AP*UP)-3' . . 0.7 . . mM . . . . 19290 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19290 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.8], temp [298], pressure [0.0], ionStrength [50.0]' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50.000 . mM 19290 1 pH 6.800 . pH 19290 1 pressure 1 . atm 19290 1 temperature 298.000 . K 19290 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19290 _Software.ID 1 _Software.Name AMBER _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case et al' . . 19290 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19290 1 stop_ save_ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 19290 _Software.ID 2 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19290 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19290 _Software.ID 3 _Software.Name CYANA _Software.Version any _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19290 3 stop_ save_ save_simulated_annealing_combined_with_molecular_dynamics_in_torsion_angle_space _Method.Sf_category method _Method.Sf_framecode simulated_annealing_combined_with_molecular_dynamics_in_torsion_angle_space _Method.Entry_ID 19290 _Method.ID 1 _Method.Derivation_type . _Method.Details 'simulated annealing combined with molecular dynamics in torsion angle space' _Method.Computer_ID . _Method.Computer_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-900 _NMR_spectrometer.Entry_ID 19290 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19290 _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 Bruker_Avance-900 Bruker Avance . 900 . . . 19290 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 19290 _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 '3D C13-edited NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-900 . . . . . . . . . . . . . . . . 19290 1 2 '3D N15-edited NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-900 . . . . . . . . . . . . . . . . 19290 1 3 '2D NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-900 . . . . . . . . . . . . . . . . 19290 1 4 '2D TOCSY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-900 . . . . . . . . . . . . . . . . 19290 1 5 '3D HCCH TOCSY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-900 . . . . . . . . . . . . . . . . 19290 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19290 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.2514495299 . . . . . . . . . 19290 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 1 . . . . . . . . . 19290 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 19290 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19290 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4bs2/ebi/YP597CN-aug12.1_withRNA2_protein2.str.csh' _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 '3D C13-edited NOESY' 1 $sample_1 solution 19290 1 2 '3D N15-edited NOESY' 1 $sample_1 solution 19290 1 3 '2D NOESY' 1 $sample_1 solution 19290 1 4 '2D TOCSY' 1 $sample_1 solution 19290 1 5 '3D HCCH TOCSY' 1 $sample_1 solution 19290 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 3 3 HIS HA H 1 4.057 0.02 . 1 . 6 . . 3 HIS HA . 19290 1 2 . 1 1 3 3 HIS HB2 H 1 3.018 0.02 . 2 . 7 . . 3 HIS HB2 . 19290 1 3 . 1 1 3 3 HIS HB3 H 1 2.746 0.02 . 2 . 8 . . 3 HIS HB3 . 19290 1 4 . 1 1 3 3 HIS HD2 H 1 7.060 0.02 . 1 . 9 . . 3 HIS HD2 . 19290 1 5 . 1 1 3 3 HIS HE1 H 1 8.165 0.02 . 1 . 10 . . 3 HIS HE1 . 19290 1 6 . 1 1 3 3 HIS C C 13 177.092 0.30 . 1 . 1 . . 3 HIS C . 19290 1 7 . 1 1 3 3 HIS CA C 13 54.759 0.30 . 1 . 2 . . 3 HIS CA . 19290 1 8 . 1 1 3 3 HIS CB C 13 31.646 0.30 . 1 . 3 . . 3 HIS CB . 19290 1 9 . 1 1 3 3 HIS CD2 C 13 119.916 0.30 . 1 . 4 . . 3 HIS CD2 . 19290 1 10 . 1 1 3 3 HIS CE1 C 13 137.273 0.30 . 1 . 5 . . 3 HIS CE1 . 19290 1 11 . 1 1 4 4 MET H H 1 8.293 0.02 . 1 . 16 . . 4 MET H . 19290 1 12 . 1 1 4 4 MET HA H 1 4.275 0.02 . 1 . 17 . . 4 MET HA . 19290 1 13 . 1 1 4 4 MET HB2 H 1 1.971 0.02 . 2 . 18 . . 4 MET HB2 . 19290 1 14 . 1 1 4 4 MET HB3 H 1 1.877 0.02 . 2 . 19 . . 4 MET HB3 . 19290 1 15 . 1 1 4 4 MET HG2 H 1 2.211 0.02 . 2 . 20 . . 4 MET HG2 . 19290 1 16 . 1 1 4 4 MET HG3 H 1 2.019 0.02 . 2 . 21 . . 4 MET HG3 . 19290 1 17 . 1 1 4 4 MET HE1 H 1 2.011 0.02 . 1 . 22 . . 4 MET HE1 . 19290 1 18 . 1 1 4 4 MET HE2 H 1 2.011 0.02 . 1 . 22 . . 4 MET HE2 . 19290 1 19 . 1 1 4 4 MET HE3 H 1 2.011 0.02 . 1 . 22 . . 4 MET HE3 . 19290 1 20 . 1 1 4 4 MET C C 13 175.524 0.30 . 1 . 11 . . 4 MET C . 19290 1 21 . 1 1 4 4 MET CA C 13 54.911 0.30 . 1 . 12 . . 4 MET CA . 19290 1 22 . 1 1 4 4 MET CB C 13 32.491 0.30 . 1 . 13 . . 4 MET CB . 19290 1 23 . 1 1 4 4 MET CG C 13 31.376 0.30 . 1 . 14 . . 4 MET CG . 19290 1 24 . 1 1 4 4 MET CE C 13 16.735 0.30 . 1 . 15 . . 4 MET CE . 19290 1 25 . 1 1 4 4 MET N N 15 120.406 0.30 . 1 . 23 . . 4 MET N . 19290 1 26 . 1 1 5 5 ALA H H 1 8.082 0.02 . 1 . 27 . . 5 ALA H . 19290 1 27 . 1 1 5 5 ALA HA H 1 4.195 0.02 . 1 . 28 . . 5 ALA HA . 19290 1 28 . 1 1 5 5 ALA HB1 H 1 1.256 0.02 . 1 . 29 . . 5 ALA HB1 . 19290 1 29 . 1 1 5 5 ALA HB2 H 1 1.256 0.02 . 1 . 29 . . 5 ALA HB2 . 19290 1 30 . 1 1 5 5 ALA HB3 H 1 1.256 0.02 . 1 . 29 . . 5 ALA HB3 . 19290 1 31 . 1 1 5 5 ALA C C 13 177.420 0.30 . 1 . 24 . . 5 ALA C . 19290 1 32 . 1 1 5 5 ALA CA C 13 52.397 0.30 . 1 . 25 . . 5 ALA CA . 19290 1 33 . 1 1 5 5 ALA CB C 13 19.088 0.30 . 1 . 26 . . 5 ALA CB . 19290 1 34 . 1 1 5 5 ALA N N 15 124.425 0.30 . 1 . 30 . . 5 ALA N . 19290 1 35 . 1 1 6 6 SER H H 1 8.035 0.02 . 1 . 34 . . 6 SER H . 19290 1 36 . 1 1 6 6 SER HA H 1 4.056 0.02 . 1 . 35 . . 6 SER HA . 19290 1 37 . 1 1 6 6 SER HB2 H 1 3.397 0.02 . 2 . 36 . . 6 SER HB2 . 19290 1 38 . 1 1 6 6 SER HB3 H 1 3.356 0.02 . 2 . 37 . . 6 SER HB3 . 19290 1 39 . 1 1 6 6 SER C C 13 173.674 0.30 . 1 . 31 . . 6 SER C . 19290 1 40 . 1 1 6 6 SER CA C 13 57.978 0.30 . 1 . 32 . . 6 SER CA . 19290 1 41 . 1 1 6 6 SER CB C 13 63.314 0.30 . 1 . 33 . . 6 SER CB . 19290 1 42 . 1 1 6 6 SER N N 15 115.065 0.30 . 1 . 38 . . 6 SER N . 19290 1 43 . 1 1 7 7 LYS H H 1 8.024 0.02 . 1 . 45 . . 7 LYS H . 19290 1 44 . 1 1 7 7 LYS HA H 1 4.495 0.02 . 1 . 46 . . 7 LYS HA . 19290 1 45 . 1 1 7 7 LYS HB2 H 1 1.822 0.02 . 2 . 47 . . 7 LYS HB2 . 19290 1 46 . 1 1 7 7 LYS HB3 H 1 1.701 0.02 . 2 . 48 . . 7 LYS HB3 . 19290 1 47 . 1 1 7 7 LYS HG2 H 1 1.385 0.02 . 1 . 49 . . 7 LYS HG2 . 19290 1 48 . 1 1 7 7 LYS HG3 H 1 1.385 0.02 . 1 . 50 . . 7 LYS HG3 . 19290 1 49 . 1 1 7 7 LYS HD2 H 1 1.608 0.02 . 1 . 51 . . 7 LYS HD2 . 19290 1 50 . 1 1 7 7 LYS HD3 H 1 1.608 0.02 . 1 . 52 . . 7 LYS HD3 . 19290 1 51 . 1 1 7 7 LYS HE2 H 1 2.891 0.02 . 1 . 53 . . 7 LYS HE2 . 19290 1 52 . 1 1 7 7 LYS HE3 H 1 2.891 0.02 . 1 . 54 . . 7 LYS HE3 . 19290 1 53 . 1 1 7 7 LYS C C 13 176.763 0.30 . 1 . 39 . . 7 LYS C . 19290 1 54 . 1 1 7 7 LYS CA C 13 55.599 0.30 . 1 . 40 . . 7 LYS CA . 19290 1 55 . 1 1 7 7 LYS CB C 13 33.725 0.30 . 1 . 41 . . 7 LYS CB . 19290 1 56 . 1 1 7 7 LYS CG C 13 24.593 0.30 . 1 . 42 . . 7 LYS CG . 19290 1 57 . 1 1 7 7 LYS CD C 13 29.153 0.30 . 1 . 43 . . 7 LYS CD . 19290 1 58 . 1 1 7 7 LYS CE C 13 41.799 0.30 . 1 . 44 . . 7 LYS CE . 19290 1 59 . 1 1 7 7 LYS N N 15 122.798 0.30 . 1 . 55 . . 7 LYS N . 19290 1 60 . 1 1 8 8 THR H H 1 8.423 0.02 . 1 . 60 . . 8 THR H . 19290 1 61 . 1 1 8 8 THR HA H 1 4.828 0.02 . 1 . 61 . . 8 THR HA . 19290 1 62 . 1 1 8 8 THR HB H 1 4.715 0.02 . 1 . 62 . . 8 THR HB . 19290 1 63 . 1 1 8 8 THR HG21 H 1 1.105 0.02 . 1 . 63 . . 8 THR HG21 . 19290 1 64 . 1 1 8 8 THR HG22 H 1 1.105 0.02 . 1 . 63 . . 8 THR HG22 . 19290 1 65 . 1 1 8 8 THR HG23 H 1 1.105 0.02 . 1 . 63 . . 8 THR HG23 . 19290 1 66 . 1 1 8 8 THR C C 13 174.077 0.30 . 1 . 56 . . 8 THR C . 19290 1 67 . 1 1 8 8 THR CA C 13 60.005 0.30 . 1 . 57 . . 8 THR CA . 19290 1 68 . 1 1 8 8 THR CB C 13 71.686 0.30 . 1 . 58 . . 8 THR CB . 19290 1 69 . 1 1 8 8 THR CG2 C 13 22.003 0.30 . 1 . 59 . . 8 THR CG2 . 19290 1 70 . 1 1 8 8 THR N N 15 112.324 0.30 . 1 . 64 . . 8 THR N . 19290 1 71 . 1 1 9 9 SER H H 1 8.532 0.02 . 1 . 68 . . 9 SER H . 19290 1 72 . 1 1 9 9 SER HA H 1 4.650 0.02 . 1 . 69 . . 9 SER HA . 19290 1 73 . 1 1 9 9 SER HB2 H 1 3.938 0.02 . 2 . 70 . . 9 SER HB2 . 19290 1 74 . 1 1 9 9 SER HB3 H 1 3.635 0.02 . 2 . 71 . . 9 SER HB3 . 19290 1 75 . 1 1 9 9 SER C C 13 172.047 0.30 . 1 . 65 . . 9 SER C . 19290 1 76 . 1 1 9 9 SER CA C 13 57.215 0.30 . 1 . 66 . . 9 SER CA . 19290 1 77 . 1 1 9 9 SER CB C 13 66.172 0.30 . 1 . 67 . . 9 SER CB . 19290 1 78 . 1 1 9 9 SER N N 15 114.170 0.30 . 1 . 72 . . 9 SER N . 19290 1 79 . 1 1 10 10 ASP H H 1 8.739 0.02 . 1 . 76 . . 10 ASP H . 19290 1 80 . 1 1 10 10 ASP HA H 1 4.343 0.02 . 1 . 77 . . 10 ASP HA . 19290 1 81 . 1 1 10 10 ASP HB2 H 1 2.923 0.02 . 2 . 78 . . 10 ASP HB2 . 19290 1 82 . 1 1 10 10 ASP HB3 H 1 2.221 0.02 . 2 . 79 . . 10 ASP HB3 . 19290 1 83 . 1 1 10 10 ASP C C 13 175.450 0.30 . 1 . 73 . . 10 ASP C . 19290 1 84 . 1 1 10 10 ASP CA C 13 55.976 0.30 . 1 . 74 . . 10 ASP CA . 19290 1 85 . 1 1 10 10 ASP CB C 13 39.983 0.30 . 1 . 75 . . 10 ASP CB . 19290 1 86 . 1 1 10 10 ASP N N 15 123.602 0.30 . 1 . 80 . . 10 ASP N . 19290 1 87 . 1 1 11 11 LEU H H 1 9.045 0.02 . 1 . 87 . . 11 LEU H . 19290 1 88 . 1 1 11 11 LEU HA H 1 4.781 0.02 . 1 . 88 . . 11 LEU HA . 19290 1 89 . 1 1 11 11 LEU HB2 H 1 1.571 0.02 . 2 . 89 . . 11 LEU HB2 . 19290 1 90 . 1 1 11 11 LEU HB3 H 1 1.037 0.02 . 2 . 90 . . 11 LEU HB3 . 19290 1 91 . 1 1 11 11 LEU HG H 1 1.876 0.02 . 1 . 91 . . 11 LEU HG . 19290 1 92 . 1 1 11 11 LEU HD11 H 1 0.746 0.02 . 1 . 92 . . 11 LEU HD11 . 19290 1 93 . 1 1 11 11 LEU HD12 H 1 0.746 0.02 . 1 . 92 . . 11 LEU HD12 . 19290 1 94 . 1 1 11 11 LEU HD13 H 1 0.746 0.02 . 1 . 92 . . 11 LEU HD13 . 19290 1 95 . 1 1 11 11 LEU HD21 H 1 0.671 0.02 . 1 . 93 . . 11 LEU HD21 . 19290 1 96 . 1 1 11 11 LEU HD22 H 1 0.671 0.02 . 1 . 93 . . 11 LEU HD22 . 19290 1 97 . 1 1 11 11 LEU HD23 H 1 0.671 0.02 . 1 . 93 . . 11 LEU HD23 . 19290 1 98 . 1 1 11 11 LEU C C 13 176.913 0.30 . 1 . 81 . . 11 LEU C . 19290 1 99 . 1 1 11 11 LEU CA C 13 52.719 0.30 . 1 . 82 . . 11 LEU CA . 19290 1 100 . 1 1 11 11 LEU CB C 13 42.943 0.30 . 1 . 83 . . 11 LEU CB . 19290 1 101 . 1 1 11 11 LEU CG C 13 26.192 0.30 . 1 . 84 . . 11 LEU CG . 19290 1 102 . 1 1 11 11 LEU CD1 C 13 26.393 0.30 . 1 . 85 . . 11 LEU CD1 . 19290 1 103 . 1 1 11 11 LEU CD2 C 13 22.893 0.30 . 1 . 86 . . 11 LEU CD2 . 19290 1 104 . 1 1 11 11 LEU N N 15 119.819 0.30 . 1 . 94 . . 11 LEU N . 19290 1 105 . 1 1 12 12 ILE H H 1 9.087 0.02 . 1 . 101 . . 12 ILE H . 19290 1 106 . 1 1 12 12 ILE HA H 1 4.398 0.02 . 1 . 102 . . 12 ILE HA . 19290 1 107 . 1 1 12 12 ILE HB H 1 1.184 0.02 . 1 . 103 . . 12 ILE HB . 19290 1 108 . 1 1 12 12 ILE HG12 H 1 0.758 0.02 . 2 . 104 . . 12 ILE HG12 . 19290 1 109 . 1 1 12 12 ILE HG13 H 1 0.422 0.02 . 2 . 105 . . 12 ILE HG13 . 19290 1 110 . 1 1 12 12 ILE HG21 H 1 0.293 0.02 . 1 . 106 . . 12 ILE HG21 . 19290 1 111 . 1 1 12 12 ILE HG22 H 1 0.293 0.02 . 1 . 106 . . 12 ILE HG22 . 19290 1 112 . 1 1 12 12 ILE HG23 H 1 0.293 0.02 . 1 . 106 . . 12 ILE HG23 . 19290 1 113 . 1 1 12 12 ILE HD11 H 1 0.521 0.02 . 1 . 107 . . 12 ILE HD11 . 19290 1 114 . 1 1 12 12 ILE HD12 H 1 0.521 0.02 . 1 . 107 . . 12 ILE HD12 . 19290 1 115 . 1 1 12 12 ILE HD13 H 1 0.521 0.02 . 1 . 107 . . 12 ILE HD13 . 19290 1 116 . 1 1 12 12 ILE C C 13 172.345 0.30 . 1 . 95 . . 12 ILE C . 19290 1 117 . 1 1 12 12 ILE CA C 13 58.817 0.30 . 1 . 96 . . 12 ILE CA . 19290 1 118 . 1 1 12 12 ILE CB C 13 41.189 0.30 . 1 . 97 . . 12 ILE CB . 19290 1 119 . 1 1 12 12 ILE CG1 C 13 28.444 0.30 . 1 . 98 . . 12 ILE CG1 . 19290 1 120 . 1 1 12 12 ILE CG2 C 13 14.826 0.30 . 1 . 99 . . 12 ILE CG2 . 19290 1 121 . 1 1 12 12 ILE CD1 C 13 13.980 0.30 . 1 . 100 . . 12 ILE CD1 . 19290 1 122 . 1 1 12 12 ILE N N 15 121.904 0.30 . 1 . 108 . . 12 ILE N . 19290 1 123 . 1 1 13 13 VAL H H 1 8.388 0.02 . 1 . 114 . . 13 VAL H . 19290 1 124 . 1 1 13 13 VAL HA H 1 4.623 0.02 . 1 . 115 . . 13 VAL HA . 19290 1 125 . 1 1 13 13 VAL HB H 1 1.541 0.02 . 1 . 116 . . 13 VAL HB . 19290 1 126 . 1 1 13 13 VAL HG11 H 1 0.687 0.02 . 1 . 117 . . 13 VAL HG11 . 19290 1 127 . 1 1 13 13 VAL HG12 H 1 0.687 0.02 . 1 . 117 . . 13 VAL HG12 . 19290 1 128 . 1 1 13 13 VAL HG13 H 1 0.687 0.02 . 1 . 117 . . 13 VAL HG13 . 19290 1 129 . 1 1 13 13 VAL HG21 H 1 0.636 0.02 . 1 . 118 . . 13 VAL HG21 . 19290 1 130 . 1 1 13 13 VAL HG22 H 1 0.636 0.02 . 1 . 118 . . 13 VAL HG22 . 19290 1 131 . 1 1 13 13 VAL HG23 H 1 0.636 0.02 . 1 . 118 . . 13 VAL HG23 . 19290 1 132 . 1 1 13 13 VAL C C 13 174.808 0.30 . 1 . 109 . . 13 VAL C . 19290 1 133 . 1 1 13 13 VAL CA C 13 60.071 0.30 . 1 . 110 . . 13 VAL CA . 19290 1 134 . 1 1 13 13 VAL CB C 13 32.368 0.30 . 1 . 111 . . 13 VAL CB . 19290 1 135 . 1 1 13 13 VAL CG1 C 13 21.396 0.30 . 1 . 112 . . 13 VAL CG1 . 19290 1 136 . 1 1 13 13 VAL CG2 C 13 20.630 0.30 . 1 . 113 . . 13 VAL CG2 . 19290 1 137 . 1 1 13 13 VAL N N 15 127.150 0.30 . 1 . 119 . . 13 VAL N . 19290 1 138 . 1 1 14 14 LEU H H 1 8.830 0.02 . 1 . 126 . . 14 LEU H . 19290 1 139 . 1 1 14 14 LEU HA H 1 4.290 0.02 . 1 . 127 . . 14 LEU HA . 19290 1 140 . 1 1 14 14 LEU HB2 H 1 1.462 0.02 . 2 . 128 . . 14 LEU HB2 . 19290 1 141 . 1 1 14 14 LEU HB3 H 1 0.943 0.02 . 2 . 129 . . 14 LEU HB3 . 19290 1 142 . 1 1 14 14 LEU HG H 1 0.430 0.02 . 1 . 130 . . 14 LEU HG . 19290 1 143 . 1 1 14 14 LEU HD11 H 1 0.421 0.02 . 1 . 131 . . 14 LEU HD11 . 19290 1 144 . 1 1 14 14 LEU HD12 H 1 0.421 0.02 . 1 . 131 . . 14 LEU HD12 . 19290 1 145 . 1 1 14 14 LEU HD13 H 1 0.421 0.02 . 1 . 131 . . 14 LEU HD13 . 19290 1 146 . 1 1 14 14 LEU HD21 H 1 0.270 0.02 . 1 . 132 . . 14 LEU HD21 . 19290 1 147 . 1 1 14 14 LEU HD22 H 1 0.270 0.02 . 1 . 132 . . 14 LEU HD22 . 19290 1 148 . 1 1 14 14 LEU HD23 H 1 0.270 0.02 . 1 . 132 . . 14 LEU HD23 . 19290 1 149 . 1 1 14 14 LEU C C 13 176.316 0.30 . 1 . 120 . . 14 LEU C . 19290 1 150 . 1 1 14 14 LEU CA C 13 53.586 0.30 . 1 . 121 . . 14 LEU CA . 19290 1 151 . 1 1 14 14 LEU CB C 13 44.513 0.30 . 1 . 122 . . 14 LEU CB . 19290 1 152 . 1 1 14 14 LEU CG C 13 26.193 0.30 . 1 . 123 . . 14 LEU CG . 19290 1 153 . 1 1 14 14 LEU CD1 C 13 26.193 0.30 . 1 . 124 . . 14 LEU CD1 . 19290 1 154 . 1 1 14 14 LEU CD2 C 13 22.906 0.30 . 1 . 125 . . 14 LEU CD2 . 19290 1 155 . 1 1 14 14 LEU N N 15 125.844 0.30 . 1 . 133 . . 14 LEU N . 19290 1 156 . 1 1 15 15 GLY H H 1 7.941 0.02 . 1 . 136 . . 15 GLY H . 19290 1 157 . 1 1 15 15 GLY HA2 H 1 4.178 0.02 . 2 . 137 . . 15 GLY HA2 . 19290 1 158 . 1 1 15 15 GLY HA3 H 1 3.359 0.02 . 2 . 138 . . 15 GLY HA3 . 19290 1 159 . 1 1 15 15 GLY C C 13 174.047 0.30 . 1 . 134 . . 15 GLY C . 19290 1 160 . 1 1 15 15 GLY CA C 13 45.088 0.30 . 1 . 135 . . 15 GLY CA . 19290 1 161 . 1 1 15 15 GLY N N 15 106.878 0.30 . 1 . 139 . . 15 GLY N . 19290 1 162 . 1 1 16 16 LEU H H 1 6.768 0.02 . 1 . 144 . . 16 LEU H . 19290 1 163 . 1 1 16 16 LEU HA H 1 3.889 0.02 . 1 . 145 . . 16 LEU HA . 19290 1 164 . 1 1 16 16 LEU HB2 H 1 1.084 0.02 . 2 . 146 . . 16 LEU HB2 . 19290 1 165 . 1 1 16 16 LEU HB3 H 1 0.973 0.02 . 2 . 147 . . 16 LEU HB3 . 19290 1 166 . 1 1 16 16 LEU HG H 1 0.696 0.02 . 1 . 148 . . 16 LEU HG . 19290 1 167 . 1 1 16 16 LEU HD11 H 1 0.518 0.02 . 1 . 149 . . 16 LEU HD11 . 19290 1 168 . 1 1 16 16 LEU HD12 H 1 0.518 0.02 . 1 . 149 . . 16 LEU HD12 . 19290 1 169 . 1 1 16 16 LEU HD13 H 1 0.518 0.02 . 1 . 149 . . 16 LEU HD13 . 19290 1 170 . 1 1 16 16 LEU HD21 H 1 0.518 0.02 . 1 . 150 . . 16 LEU HD21 . 19290 1 171 . 1 1 16 16 LEU HD22 H 1 0.518 0.02 . 1 . 150 . . 16 LEU HD22 . 19290 1 172 . 1 1 16 16 LEU HD23 H 1 0.518 0.02 . 1 . 150 . . 16 LEU HD23 . 19290 1 173 . 1 1 16 16 LEU CA C 13 52.510 0.30 . 1 . 140 . . 16 LEU CA . 19290 1 174 . 1 1 16 16 LEU CB C 13 42.383 0.30 . 1 . 141 . . 16 LEU CB . 19290 1 175 . 1 1 16 16 LEU CG C 13 25.047 0.30 . 1 . 142 . . 16 LEU CG . 19290 1 176 . 1 1 16 16 LEU CD1 C 13 26.409 0.30 . 1 . 143 . . 16 LEU CD1 . 19290 1 177 . 1 1 16 16 LEU N N 15 116.267 0.30 . 1 . 151 . . 16 LEU N . 19290 1 178 . 1 1 17 17 PRO HA H 1 4.663 0.02 . 1 . 156 . . 17 PRO HA . 19290 1 179 . 1 1 17 17 PRO HB2 H 1 2.160 0.02 . 1 . 157 . . 17 PRO HB2 . 19290 1 180 . 1 1 17 17 PRO HB3 H 1 2.160 0.02 . 1 . 158 . . 17 PRO HB3 . 19290 1 181 . 1 1 17 17 PRO HG2 H 1 2.025 0.02 . 1 . 159 . . 17 PRO HG2 . 19290 1 182 . 1 1 17 17 PRO HG3 H 1 2.025 0.02 . 1 . 160 . . 17 PRO HG3 . 19290 1 183 . 1 1 17 17 PRO C C 13 177.913 0.30 . 1 . 152 . . 17 PRO C . 19290 1 184 . 1 1 17 17 PRO CA C 13 62.502 0.30 . 1 . 153 . . 17 PRO CA . 19290 1 185 . 1 1 17 17 PRO CB C 13 31.372 0.30 . 1 . 154 . . 17 PRO CB . 19290 1 186 . 1 1 17 17 PRO CG C 13 28.882 0.30 . 1 . 155 . . 17 PRO CG . 19290 1 187 . 1 1 18 18 TRP H H 1 7.154 0.02 . 1 . 169 . . 18 TRP H . 19290 1 188 . 1 1 18 18 TRP HA H 1 4.386 0.02 . 1 . 170 . . 18 TRP HA . 19290 1 189 . 1 1 18 18 TRP HB2 H 1 3.350 0.02 . 2 . 171 . . 18 TRP HB2 . 19290 1 190 . 1 1 18 18 TRP HB3 H 1 2.976 0.02 . 2 . 172 . . 18 TRP HB3 . 19290 1 191 . 1 1 18 18 TRP HD1 H 1 7.191 0.02 . 1 . 173 . . 18 TRP HD1 . 19290 1 192 . 1 1 18 18 TRP HE1 H 1 9.696 0.02 . 1 . 174 . . 18 TRP HE1 . 19290 1 193 . 1 1 18 18 TRP HE3 H 1 7.152 0.02 . 1 . 175 . . 18 TRP HE3 . 19290 1 194 . 1 1 18 18 TRP HZ2 H 1 6.443 0.02 . 1 . 176 . . 18 TRP HZ2 . 19290 1 195 . 1 1 18 18 TRP HZ3 H 1 6.596 0.02 . 1 . 177 . . 18 TRP HZ3 . 19290 1 196 . 1 1 18 18 TRP HH2 H 1 6.848 0.02 . 1 . 178 . . 18 TRP HH2 . 19290 1 197 . 1 1 18 18 TRP C C 13 177.271 0.30 . 1 . 161 . . 18 TRP C . 19290 1 198 . 1 1 18 18 TRP CA C 13 57.728 0.30 . 1 . 162 . . 18 TRP CA . 19290 1 199 . 1 1 18 18 TRP CB C 13 29.712 0.30 . 1 . 163 . . 18 TRP CB . 19290 1 200 . 1 1 18 18 TRP CD1 C 13 128.985 0.30 . 1 . 164 . . 18 TRP CD1 . 19290 1 201 . 1 1 18 18 TRP CE3 C 13 120.476 0.30 . 1 . 165 . . 18 TRP CE3 . 19290 1 202 . 1 1 18 18 TRP CZ2 C 13 113.797 0.30 . 1 . 166 . . 18 TRP CZ2 . 19290 1 203 . 1 1 18 18 TRP CZ3 C 13 121.557 0.30 . 1 . 167 . . 18 TRP CZ3 . 19290 1 204 . 1 1 18 18 TRP CH2 C 13 124.667 0.30 . 1 . 168 . . 18 TRP CH2 . 19290 1 205 . 1 1 18 18 TRP N N 15 123.147 0.30 . 1 . 179 . . 18 TRP N . 19290 1 206 . 1 1 18 18 TRP NE1 N 15 129.920 0.30 . 1 . 180 . . 18 TRP NE1 . 19290 1 207 . 1 1 19 19 LYS H H 1 8.017 0.02 . 1 . 187 . . 19 LYS H . 19290 1 208 . 1 1 19 19 LYS HA H 1 4.222 0.02 . 1 . 188 . . 19 LYS HA . 19290 1 209 . 1 1 19 19 LYS HB2 H 1 1.879 0.02 . 2 . 189 . . 19 LYS HB2 . 19290 1 210 . 1 1 19 19 LYS HB3 H 1 1.720 0.02 . 2 . 190 . . 19 LYS HB3 . 19290 1 211 . 1 1 19 19 LYS HG2 H 1 1.344 0.02 . 2 . 191 . . 19 LYS HG2 . 19290 1 212 . 1 1 19 19 LYS HG3 H 1 1.249 0.02 . 2 . 192 . . 19 LYS HG3 . 19290 1 213 . 1 1 19 19 LYS HD2 H 1 1.550 0.02 . 1 . 193 . . 19 LYS HD2 . 19290 1 214 . 1 1 19 19 LYS HD3 H 1 1.550 0.02 . 1 . 194 . . 19 LYS HD3 . 19290 1 215 . 1 1 19 19 LYS HE2 H 1 2.862 0.02 . 1 . 195 . . 19 LYS HE2 . 19290 1 216 . 1 1 19 19 LYS HE3 H 1 2.862 0.02 . 1 . 196 . . 19 LYS HE3 . 19290 1 217 . 1 1 19 19 LYS C C 13 176.719 0.30 . 1 . 181 . . 19 LYS C . 19290 1 218 . 1 1 19 19 LYS CA C 13 56.390 0.30 . 1 . 182 . . 19 LYS CA . 19290 1 219 . 1 1 19 19 LYS CB C 13 32.050 0.30 . 1 . 183 . . 19 LYS CB . 19290 1 220 . 1 1 19 19 LYS CG C 13 23.506 0.30 . 1 . 184 . . 19 LYS CG . 19290 1 221 . 1 1 19 19 LYS CD C 13 29.079 0.30 . 1 . 185 . . 19 LYS CD . 19290 1 222 . 1 1 19 19 LYS CE C 13 41.565 0.30 . 1 . 186 . . 19 LYS CE . 19290 1 223 . 1 1 19 19 LYS N N 15 110.765 0.30 . 1 . 197 . . 19 LYS N . 19290 1 224 . 1 1 20 20 THR H H 1 7.416 0.02 . 1 . 202 . . 20 THR H . 19290 1 225 . 1 1 20 20 THR HA H 1 4.024 0.02 . 1 . 203 . . 20 THR HA . 19290 1 226 . 1 1 20 20 THR HB H 1 3.679 0.02 . 1 . 204 . . 20 THR HB . 19290 1 227 . 1 1 20 20 THR HG21 H 1 1.104 0.02 . 1 . 205 . . 20 THR HG21 . 19290 1 228 . 1 1 20 20 THR HG22 H 1 1.104 0.02 . 1 . 205 . . 20 THR HG22 . 19290 1 229 . 1 1 20 20 THR HG23 H 1 1.104 0.02 . 1 . 205 . . 20 THR HG23 . 19290 1 230 . 1 1 20 20 THR C C 13 175.495 0.30 . 1 . 198 . . 20 THR C . 19290 1 231 . 1 1 20 20 THR CA C 13 65.706 0.30 . 1 . 199 . . 20 THR CA . 19290 1 232 . 1 1 20 20 THR CB C 13 68.224 0.30 . 1 . 200 . . 20 THR CB . 19290 1 233 . 1 1 20 20 THR CG2 C 13 23.048 0.30 . 1 . 201 . . 20 THR CG2 . 19290 1 234 . 1 1 20 20 THR N N 15 120.716 0.30 . 1 . 206 . . 20 THR N . 19290 1 235 . 1 1 21 21 THR H H 1 9.170 0.02 . 1 . 211 . . 21 THR H . 19290 1 236 . 1 1 21 21 THR HA H 1 4.614 0.02 . 1 . 212 . . 21 THR HA . 19290 1 237 . 1 1 21 21 THR HB H 1 4.616 0.02 . 1 . 213 . . 21 THR HB . 19290 1 238 . 1 1 21 21 THR HG21 H 1 1.326 0.02 . 1 . 214 . . 21 THR HG21 . 19290 1 239 . 1 1 21 21 THR HG22 H 1 1.326 0.02 . 1 . 214 . . 21 THR HG22 . 19290 1 240 . 1 1 21 21 THR HG23 H 1 1.326 0.02 . 1 . 214 . . 21 THR HG23 . 19290 1 241 . 1 1 21 21 THR C C 13 175.584 0.30 . 1 . 207 . . 21 THR C . 19290 1 242 . 1 1 21 21 THR CA C 13 60.028 0.30 . 1 . 208 . . 21 THR CA . 19290 1 243 . 1 1 21 21 THR CB C 13 73.054 0.30 . 1 . 209 . . 21 THR CB . 19290 1 244 . 1 1 21 21 THR CG2 C 13 21.535 0.30 . 1 . 210 . . 21 THR CG2 . 19290 1 245 . 1 1 21 21 THR N N 15 119.736 0.30 . 1 . 215 . . 21 THR N . 19290 1 246 . 1 1 22 22 GLU H H 1 9.332 0.02 . 1 . 220 . . 22 GLU H . 19290 1 247 . 1 1 22 22 GLU HA H 1 3.593 0.02 . 1 . 221 . . 22 GLU HA . 19290 1 248 . 1 1 22 22 GLU HB2 H 1 2.024 0.02 . 2 . 222 . . 22 GLU HB2 . 19290 1 249 . 1 1 22 22 GLU HB3 H 1 1.882 0.02 . 2 . 223 . . 22 GLU HB3 . 19290 1 250 . 1 1 22 22 GLU HG2 H 1 2.343 0.02 . 2 . 224 . . 22 GLU HG2 . 19290 1 251 . 1 1 22 22 GLU HG3 H 1 2.214 0.02 . 2 . 225 . . 22 GLU HG3 . 19290 1 252 . 1 1 22 22 GLU C C 13 177.838 0.30 . 1 . 216 . . 22 GLU C . 19290 1 253 . 1 1 22 22 GLU CA C 13 61.077 0.30 . 1 . 217 . . 22 GLU CA . 19290 1 254 . 1 1 22 22 GLU CB C 13 28.592 0.30 . 1 . 218 . . 22 GLU CB . 19290 1 255 . 1 1 22 22 GLU CG C 13 38.387 0.30 . 1 . 219 . . 22 GLU CG . 19290 1 256 . 1 1 22 22 GLU N N 15 119.970 0.30 . 1 . 226 . . 22 GLU N . 19290 1 257 . 1 1 23 23 GLN H H 1 8.220 0.02 . 1 . 231 . . 23 GLN H . 19290 1 258 . 1 1 23 23 GLN HA H 1 3.912 0.02 . 1 . 232 . . 23 GLN HA . 19290 1 259 . 1 1 23 23 GLN HB2 H 1 2.068 0.02 . 2 . 233 . . 23 GLN HB2 . 19290 1 260 . 1 1 23 23 GLN HB3 H 1 1.841 0.02 . 2 . 234 . . 23 GLN HB3 . 19290 1 261 . 1 1 23 23 GLN HG2 H 1 2.391 0.02 . 2 . 235 . . 23 GLN HG2 . 19290 1 262 . 1 1 23 23 GLN HG3 H 1 2.305 0.02 . 2 . 236 . . 23 GLN HG3 . 19290 1 263 . 1 1 23 23 GLN HE21 H 1 7.751 0.02 . 1 . 237 . . 23 GLN HE21 . 19290 1 264 . 1 1 23 23 GLN HE22 H 1 6.777 0.02 . 1 . 238 . . 23 GLN HE22 . 19290 1 265 . 1 1 23 23 GLN C C 13 178.122 0.30 . 1 . 227 . . 23 GLN C . 19290 1 266 . 1 1 23 23 GLN CA C 13 59.185 0.30 . 1 . 228 . . 23 GLN CA . 19290 1 267 . 1 1 23 23 GLN CB C 13 27.588 0.30 . 1 . 229 . . 23 GLN CB . 19290 1 268 . 1 1 23 23 GLN CG C 13 33.314 0.30 . 1 . 230 . . 23 GLN CG . 19290 1 269 . 1 1 23 23 GLN N N 15 119.269 0.30 . 1 . 239 . . 23 GLN N . 19290 1 270 . 1 1 23 23 GLN NE2 N 15 112.655 0.30 . 1 . 240 . . 23 GLN NE2 . 19290 1 271 . 1 1 24 24 ASP H H 1 7.391 0.02 . 1 . 244 . . 24 ASP H . 19290 1 272 . 1 1 24 24 ASP HA H 1 4.240 0.02 . 1 . 245 . . 24 ASP HA . 19290 1 273 . 1 1 24 24 ASP HB2 H 1 3.002 0.02 . 2 . 246 . . 24 ASP HB2 . 19290 1 274 . 1 1 24 24 ASP HB3 H 1 2.590 0.02 . 2 . 247 . . 24 ASP HB3 . 19290 1 275 . 1 1 24 24 ASP C C 13 179.585 0.30 . 1 . 241 . . 24 ASP C . 19290 1 276 . 1 1 24 24 ASP CA C 13 57.179 0.30 . 1 . 242 . . 24 ASP CA . 19290 1 277 . 1 1 24 24 ASP CB C 13 41.174 0.30 . 1 . 243 . . 24 ASP CB . 19290 1 278 . 1 1 24 24 ASP N N 15 119.372 0.30 . 1 . 248 . . 24 ASP N . 19290 1 279 . 1 1 25 25 LEU H H 1 8.033 0.02 . 1 . 255 . . 25 LEU H . 19290 1 280 . 1 1 25 25 LEU HA H 1 3.919 0.02 . 1 . 256 . . 25 LEU HA . 19290 1 281 . 1 1 25 25 LEU HB2 H 1 1.739 0.02 . 2 . 257 . . 25 LEU HB2 . 19290 1 282 . 1 1 25 25 LEU HB3 H 1 1.583 0.02 . 2 . 258 . . 25 LEU HB3 . 19290 1 283 . 1 1 25 25 LEU HG H 1 1.701 0.02 . 1 . 259 . . 25 LEU HG . 19290 1 284 . 1 1 25 25 LEU HD11 H 1 0.731 0.02 . 1 . 260 . . 25 LEU HD11 . 19290 1 285 . 1 1 25 25 LEU HD12 H 1 0.731 0.02 . 1 . 260 . . 25 LEU HD12 . 19290 1 286 . 1 1 25 25 LEU HD13 H 1 0.731 0.02 . 1 . 260 . . 25 LEU HD13 . 19290 1 287 . 1 1 25 25 LEU HD21 H 1 0.699 0.02 . 1 . 261 . . 25 LEU HD21 . 19290 1 288 . 1 1 25 25 LEU HD22 H 1 0.699 0.02 . 1 . 261 . . 25 LEU HD22 . 19290 1 289 . 1 1 25 25 LEU HD23 H 1 0.699 0.02 . 1 . 261 . . 25 LEU HD23 . 19290 1 290 . 1 1 25 25 LEU C C 13 178.331 0.30 . 1 . 249 . . 25 LEU C . 19290 1 291 . 1 1 25 25 LEU CA C 13 57.463 0.30 . 1 . 250 . . 25 LEU CA . 19290 1 292 . 1 1 25 25 LEU CB C 13 42.567 0.30 . 1 . 251 . . 25 LEU CB . 19290 1 293 . 1 1 25 25 LEU CG C 13 26.239 0.30 . 1 . 252 . . 25 LEU CG . 19290 1 294 . 1 1 25 25 LEU CD1 C 13 26.260 0.30 . 1 . 253 . . 25 LEU CD1 . 19290 1 295 . 1 1 25 25 LEU CD2 C 13 24.146 0.30 . 1 . 254 . . 25 LEU CD2 . 19290 1 296 . 1 1 25 25 LEU N N 15 119.946 0.30 . 1 . 262 . . 25 LEU N . 19290 1 297 . 1 1 26 26 LYS H H 1 8.612 0.02 . 1 . 269 . . 26 LYS H . 19290 1 298 . 1 1 26 26 LYS HA H 1 3.784 0.02 . 1 . 270 . . 26 LYS HA . 19290 1 299 . 1 1 26 26 LYS HB2 H 1 2.003 0.02 . 2 . 271 . . 26 LYS HB2 . 19290 1 300 . 1 1 26 26 LYS HB3 H 1 1.837 0.02 . 2 . 272 . . 26 LYS HB3 . 19290 1 301 . 1 1 26 26 LYS HG2 H 1 1.392 0.02 . 2 . 273 . . 26 LYS HG2 . 19290 1 302 . 1 1 26 26 LYS HG3 H 1 1.208 0.02 . 2 . 274 . . 26 LYS HG3 . 19290 1 303 . 1 1 26 26 LYS HD2 H 1 1.568 0.02 . 1 . 275 . . 26 LYS HD2 . 19290 1 304 . 1 1 26 26 LYS HD3 H 1 1.568 0.02 . 1 . 276 . . 26 LYS HD3 . 19290 1 305 . 1 1 26 26 LYS HE2 H 1 2.836 0.02 . 1 . 277 . . 26 LYS HE2 . 19290 1 306 . 1 1 26 26 LYS HE3 H 1 2.836 0.02 . 1 . 278 . . 26 LYS HE3 . 19290 1 307 . 1 1 26 26 LYS C C 13 179.241 0.30 . 1 . 263 . . 26 LYS C . 19290 1 308 . 1 1 26 26 LYS CA C 13 60.373 0.30 . 1 . 264 . . 26 LYS CA . 19290 1 309 . 1 1 26 26 LYS CB C 13 32.040 0.30 . 1 . 265 . . 26 LYS CB . 19290 1 310 . 1 1 26 26 LYS CG C 13 25.288 0.30 . 1 . 266 . . 26 LYS CG . 19290 1 311 . 1 1 26 26 LYS CD C 13 29.142 0.30 . 1 . 267 . . 26 LYS CD . 19290 1 312 . 1 1 26 26 LYS CE C 13 41.941 0.30 . 1 . 268 . . 26 LYS CE . 19290 1 313 . 1 1 26 26 LYS N N 15 120.564 0.30 . 1 . 279 . . 26 LYS N . 19290 1 314 . 1 1 27 27 GLU H H 1 8.194 0.02 . 1 . 284 . . 27 GLU H . 19290 1 315 . 1 1 27 27 GLU HA H 1 3.911 0.02 . 1 . 285 . . 27 GLU HA . 19290 1 316 . 1 1 27 27 GLU HB2 H 1 2.078 0.02 . 2 . 286 . . 27 GLU HB2 . 19290 1 317 . 1 1 27 27 GLU HB3 H 1 2.020 0.02 . 2 . 287 . . 27 GLU HB3 . 19290 1 318 . 1 1 27 27 GLU HG2 H 1 2.383 0.02 . 2 . 288 . . 27 GLU HG2 . 19290 1 319 . 1 1 27 27 GLU HG3 H 1 2.236 0.02 . 2 . 289 . . 27 GLU HG3 . 19290 1 320 . 1 1 27 27 GLU C C 13 178.644 0.30 . 1 . 280 . . 27 GLU C . 19290 1 321 . 1 1 27 27 GLU CA C 13 59.461 0.30 . 1 . 281 . . 27 GLU CA . 19290 1 322 . 1 1 27 27 GLU CB C 13 29.321 0.30 . 1 . 282 . . 27 GLU CB . 19290 1 323 . 1 1 27 27 GLU CG C 13 36.143 0.30 . 1 . 283 . . 27 GLU CG . 19290 1 324 . 1 1 27 27 GLU N N 15 120.089 0.30 . 1 . 290 . . 27 GLU N . 19290 1 325 . 1 1 28 28 TYR H H 1 7.870 0.02 . 1 . 298 . . 28 TYR H . 19290 1 326 . 1 1 28 28 TYR HA H 1 4.094 0.02 . 1 . 299 . . 28 TYR HA . 19290 1 327 . 1 1 28 28 TYR HB2 H 1 3.033 0.02 . 2 . 300 . . 28 TYR HB2 . 19290 1 328 . 1 1 28 28 TYR HB3 H 1 2.427 0.02 . 2 . 301 . . 28 TYR HB3 . 19290 1 329 . 1 1 28 28 TYR HD1 H 1 5.962 0.02 . 3 . 302 . . 28 TYR HD1 . 19290 1 330 . 1 1 28 28 TYR HD2 H 1 5.962 0.02 . 3 . 303 . . 28 TYR HD2 . 19290 1 331 . 1 1 28 28 TYR HE1 H 1 6.428 0.02 . 3 . 304 . . 28 TYR HE1 . 19290 1 332 . 1 1 28 28 TYR HE2 H 1 6.428 0.02 . 3 . 305 . . 28 TYR HE2 . 19290 1 333 . 1 1 28 28 TYR C C 13 178.152 0.30 . 1 . 291 . . 28 TYR C . 19290 1 334 . 1 1 28 28 TYR CA C 13 61.744 0.30 . 1 . 292 . . 28 TYR CA . 19290 1 335 . 1 1 28 28 TYR CB C 13 38.164 0.30 . 1 . 293 . . 28 TYR CB . 19290 1 336 . 1 1 28 28 TYR CD1 C 13 132.125 0.30 . 3 . 294 . . 28 TYR CD1 . 19290 1 337 . 1 1 28 28 TYR CD2 C 13 132.125 0.30 . 3 . 295 . . 28 TYR CD2 . 19290 1 338 . 1 1 28 28 TYR CE1 C 13 118.200 0.30 . 3 . 296 . . 28 TYR CE1 . 19290 1 339 . 1 1 28 28 TYR CE2 C 13 118.200 0.30 . 3 . 297 . . 28 TYR CE2 . 19290 1 340 . 1 1 28 28 TYR N N 15 118.090 0.30 . 1 . 306 . . 28 TYR N . 19290 1 341 . 1 1 29 29 PHE H H 1 8.831 0.02 . 1 . 315 . . 29 PHE H . 19290 1 342 . 1 1 29 29 PHE HA H 1 4.474 0.02 . 1 . 316 . . 29 PHE HA . 19290 1 343 . 1 1 29 29 PHE HB2 H 1 3.409 0.02 . 2 . 317 . . 29 PHE HB2 . 19290 1 344 . 1 1 29 29 PHE HB3 H 1 2.814 0.02 . 2 . 318 . . 29 PHE HB3 . 19290 1 345 . 1 1 29 29 PHE HD1 H 1 7.201 0.02 . 3 . 319 . . 29 PHE HD1 . 19290 1 346 . 1 1 29 29 PHE HD2 H 1 7.201 0.02 . 3 . 320 . . 29 PHE HD2 . 19290 1 347 . 1 1 29 29 PHE HE1 H 1 6.578 0.02 . 3 . 321 . . 29 PHE HE1 . 19290 1 348 . 1 1 29 29 PHE HE2 H 1 6.578 0.02 . 3 . 322 . . 29 PHE HE2 . 19290 1 349 . 1 1 29 29 PHE HZ H 1 6.593 0.02 . 1 . 323 . . 29 PHE HZ . 19290 1 350 . 1 1 29 29 PHE C C 13 177.958 0.30 . 1 . 307 . . 29 PHE C . 19290 1 351 . 1 1 29 29 PHE CA C 13 62.494 0.30 . 1 . 308 . . 29 PHE CA . 19290 1 352 . 1 1 29 29 PHE CB C 13 38.193 0.30 . 1 . 309 . . 29 PHE CB . 19290 1 353 . 1 1 29 29 PHE CD1 C 13 131.504 0.30 . 3 . 310 . . 29 PHE CD1 . 19290 1 354 . 1 1 29 29 PHE CD2 C 13 131.504 0.30 . 3 . 311 . . 29 PHE CD2 . 19290 1 355 . 1 1 29 29 PHE CE1 C 13 130.961 0.30 . 3 . 312 . . 29 PHE CE1 . 19290 1 356 . 1 1 29 29 PHE CE2 C 13 130.961 0.30 . 3 . 313 . . 29 PHE CE2 . 19290 1 357 . 1 1 29 29 PHE CZ C 13 129.801 0.30 . 1 . 314 . . 29 PHE CZ . 19290 1 358 . 1 1 29 29 PHE N N 15 116.488 0.30 . 1 . 324 . . 29 PHE N . 19290 1 359 . 1 1 30 30 SER H H 1 8.181 0.02 . 1 . 328 . . 30 SER H . 19290 1 360 . 1 1 30 30 SER HA H 1 5.084 0.02 . 1 . 329 . . 30 SER HA . 19290 1 361 . 1 1 30 30 SER HB2 H 1 4.004 0.02 . 2 . 330 . . 30 SER HB2 . 19290 1 362 . 1 1 30 30 SER HB3 H 1 3.960 0.02 . 2 . 331 . . 30 SER HB3 . 19290 1 363 . 1 1 30 30 SER C C 13 175.107 0.30 . 1 . 325 . . 30 SER C . 19290 1 364 . 1 1 30 30 SER CA C 13 61.368 0.30 . 1 . 326 . . 30 SER CA . 19290 1 365 . 1 1 30 30 SER CB C 13 63.068 0.30 . 1 . 327 . . 30 SER CB . 19290 1 366 . 1 1 30 30 SER N N 15 115.006 0.30 . 1 . 332 . . 30 SER N . 19290 1 367 . 1 1 31 31 THR H H 1 7.245 0.02 . 1 . 337 . . 31 THR H . 19290 1 368 . 1 1 31 31 THR HA H 1 3.893 0.02 . 1 . 338 . . 31 THR HA . 19290 1 369 . 1 1 31 31 THR HB H 1 3.714 0.02 . 1 . 339 . . 31 THR HB . 19290 1 370 . 1 1 31 31 THR HG21 H 1 1.012 0.02 . 1 . 340 . . 31 THR HG21 . 19290 1 371 . 1 1 31 31 THR HG22 H 1 1.012 0.02 . 1 . 340 . . 31 THR HG22 . 19290 1 372 . 1 1 31 31 THR HG23 H 1 1.012 0.02 . 1 . 340 . . 31 THR HG23 . 19290 1 373 . 1 1 31 31 THR C C 13 175.569 0.30 . 1 . 333 . . 31 THR C . 19290 1 374 . 1 1 31 31 THR CA C 13 64.308 0.30 . 1 . 334 . . 31 THR CA . 19290 1 375 . 1 1 31 31 THR CB C 13 68.746 0.30 . 1 . 335 . . 31 THR CB . 19290 1 376 . 1 1 31 31 THR CG2 C 13 20.750 0.30 . 1 . 336 . . 31 THR CG2 . 19290 1 377 . 1 1 31 31 THR N N 15 112.255 0.30 . 1 . 341 . . 31 THR N . 19290 1 378 . 1 1 32 32 PHE H H 1 7.775 0.02 . 1 . 350 . . 32 PHE H . 19290 1 379 . 1 1 32 32 PHE HA H 1 4.184 0.02 . 1 . 351 . . 32 PHE HA . 19290 1 380 . 1 1 32 32 PHE HB2 H 1 2.907 0.02 . 2 . 352 . . 32 PHE HB2 . 19290 1 381 . 1 1 32 32 PHE HB3 H 1 2.659 0.02 . 2 . 353 . . 32 PHE HB3 . 19290 1 382 . 1 1 32 32 PHE HD1 H 1 7.190 0.02 . 3 . 354 . . 32 PHE HD1 . 19290 1 383 . 1 1 32 32 PHE HD2 H 1 7.190 0.02 . 3 . 355 . . 32 PHE HD2 . 19290 1 384 . 1 1 32 32 PHE HE1 H 1 7.074 0.02 . 3 . 356 . . 32 PHE HE1 . 19290 1 385 . 1 1 32 32 PHE HE2 H 1 7.074 0.02 . 3 . 357 . . 32 PHE HE2 . 19290 1 386 . 1 1 32 32 PHE HZ H 1 7.449 0.02 . 1 . 358 . . 32 PHE HZ . 19290 1 387 . 1 1 32 32 PHE C C 13 175.465 0.30 . 1 . 342 . . 32 PHE C . 19290 1 388 . 1 1 32 32 PHE CA C 13 59.758 0.30 . 1 . 343 . . 32 PHE CA . 19290 1 389 . 1 1 32 32 PHE CB C 13 39.526 0.30 . 1 . 344 . . 32 PHE CB . 19290 1 390 . 1 1 32 32 PHE CD1 C 13 131.936 0.30 . 3 . 345 . . 32 PHE CD1 . 19290 1 391 . 1 1 32 32 PHE CD2 C 13 131.936 0.30 . 3 . 346 . . 32 PHE CD2 . 19290 1 392 . 1 1 32 32 PHE CE1 C 13 131.546 0.30 . 3 . 347 . . 32 PHE CE1 . 19290 1 393 . 1 1 32 32 PHE CE2 C 13 131.546 0.30 . 3 . 348 . . 32 PHE CE2 . 19290 1 394 . 1 1 32 32 PHE CZ C 13 130.514 0.30 . 1 . 349 . . 32 PHE CZ . 19290 1 395 . 1 1 32 32 PHE N N 15 118.639 0.30 . 1 . 359 . . 32 PHE N . 19290 1 396 . 1 1 33 33 GLY H H 1 7.498 0.02 . 1 . 362 . . 33 GLY H . 19290 1 397 . 1 1 33 33 GLY HA2 H 1 4.125 0.02 . 2 . 363 . . 33 GLY HA2 . 19290 1 398 . 1 1 33 33 GLY HA3 H 1 3.904 0.02 . 2 . 364 . . 33 GLY HA3 . 19290 1 399 . 1 1 33 33 GLY C C 13 170.061 0.30 . 1 . 360 . . 33 GLY C . 19290 1 400 . 1 1 33 33 GLY CA C 13 44.598 0.30 . 1 . 361 . . 33 GLY CA . 19290 1 401 . 1 1 33 33 GLY N N 15 105.565 0.30 . 1 . 365 . . 33 GLY N . 19290 1 402 . 1 1 34 34 GLU H H 1 8.191 0.02 . 1 . 370 . . 34 GLU H . 19290 1 403 . 1 1 34 34 GLU HA H 1 4.215 0.02 . 1 . 371 . . 34 GLU HA . 19290 1 404 . 1 1 34 34 GLU HB2 H 1 2.065 0.02 . 2 . 372 . . 34 GLU HB2 . 19290 1 405 . 1 1 34 34 GLU HB3 H 1 1.967 0.02 . 2 . 373 . . 34 GLU HB3 . 19290 1 406 . 1 1 34 34 GLU HG2 H 1 2.207 0.02 . 2 . 374 . . 34 GLU HG2 . 19290 1 407 . 1 1 34 34 GLU HG3 H 1 2.060 0.02 . 2 . 375 . . 34 GLU HG3 . 19290 1 408 . 1 1 34 34 GLU C C 13 176.734 0.30 . 1 . 366 . . 34 GLU C . 19290 1 409 . 1 1 34 34 GLU CA C 13 58.115 0.30 . 1 . 367 . . 34 GLU CA . 19290 1 410 . 1 1 34 34 GLU CB C 13 30.103 0.30 . 1 . 368 . . 34 GLU CB . 19290 1 411 . 1 1 34 34 GLU CG C 13 36.600 0.30 . 1 . 369 . . 34 GLU CG . 19290 1 412 . 1 1 34 34 GLU N N 15 117.448 0.30 . 1 . 376 . . 34 GLU N . 19290 1 413 . 1 1 35 35 VAL H H 1 8.770 0.02 . 1 . 382 . . 35 VAL H . 19290 1 414 . 1 1 35 35 VAL HA H 1 3.953 0.02 . 1 . 383 . . 35 VAL HA . 19290 1 415 . 1 1 35 35 VAL HB H 1 1.784 0.02 . 1 . 384 . . 35 VAL HB . 19290 1 416 . 1 1 35 35 VAL HG11 H 1 0.516 0.02 . 1 . 385 . . 35 VAL HG11 . 19290 1 417 . 1 1 35 35 VAL HG12 H 1 0.516 0.02 . 1 . 385 . . 35 VAL HG12 . 19290 1 418 . 1 1 35 35 VAL HG13 H 1 0.516 0.02 . 1 . 385 . . 35 VAL HG13 . 19290 1 419 . 1 1 35 35 VAL HG21 H 1 0.841 0.02 . 1 . 386 . . 35 VAL HG21 . 19290 1 420 . 1 1 35 35 VAL HG22 H 1 0.841 0.02 . 1 . 386 . . 35 VAL HG22 . 19290 1 421 . 1 1 35 35 VAL HG23 H 1 0.841 0.02 . 1 . 386 . . 35 VAL HG23 . 19290 1 422 . 1 1 35 35 VAL C C 13 175.659 0.30 . 1 . 377 . . 35 VAL C . 19290 1 423 . 1 1 35 35 VAL CA C 13 61.417 0.30 . 1 . 378 . . 35 VAL CA . 19290 1 424 . 1 1 35 35 VAL CB C 13 34.003 0.30 . 1 . 379 . . 35 VAL CB . 19290 1 425 . 1 1 35 35 VAL CG1 C 13 22.869 0.30 . 1 . 380 . . 35 VAL CG1 . 19290 1 426 . 1 1 35 35 VAL CG2 C 13 21.832 0.30 . 1 . 381 . . 35 VAL CG2 . 19290 1 427 . 1 1 35 35 VAL N N 15 126.726 0.30 . 1 . 387 . . 35 VAL N . 19290 1 428 . 1 1 36 36 LEU H H 1 8.809 0.02 . 1 . 394 . . 36 LEU H . 19290 1 429 . 1 1 36 36 LEU HA H 1 4.227 0.02 . 1 . 395 . . 36 LEU HA . 19290 1 430 . 1 1 36 36 LEU HB2 H 1 1.144 0.02 . 2 . 396 . . 36 LEU HB2 . 19290 1 431 . 1 1 36 36 LEU HB3 H 1 1.071 0.02 . 2 . 397 . . 36 LEU HB3 . 19290 1 432 . 1 1 36 36 LEU HG H 1 1.406 0.02 . 1 . 398 . . 36 LEU HG . 19290 1 433 . 1 1 36 36 LEU HD11 H 1 0.727 0.02 . 1 . 399 . . 36 LEU HD11 . 19290 1 434 . 1 1 36 36 LEU HD12 H 1 0.727 0.02 . 1 . 399 . . 36 LEU HD12 . 19290 1 435 . 1 1 36 36 LEU HD13 H 1 0.727 0.02 . 1 . 399 . . 36 LEU HD13 . 19290 1 436 . 1 1 36 36 LEU HD21 H 1 0.687 0.02 . 1 . 400 . . 36 LEU HD21 . 19290 1 437 . 1 1 36 36 LEU HD22 H 1 0.687 0.02 . 1 . 400 . . 36 LEU HD22 . 19290 1 438 . 1 1 36 36 LEU HD23 H 1 0.687 0.02 . 1 . 400 . . 36 LEU HD23 . 19290 1 439 . 1 1 36 36 LEU C C 13 176.480 0.30 . 1 . 388 . . 36 LEU C . 19290 1 440 . 1 1 36 36 LEU CA C 13 55.184 0.30 . 1 . 389 . . 36 LEU CA . 19290 1 441 . 1 1 36 36 LEU CB C 13 44.605 0.30 . 1 . 390 . . 36 LEU CB . 19290 1 442 . 1 1 36 36 LEU CG C 13 26.387 0.30 . 1 . 391 . . 36 LEU CG . 19290 1 443 . 1 1 36 36 LEU CD1 C 13 24.725 0.30 . 1 . 392 . . 36 LEU CD1 . 19290 1 444 . 1 1 36 36 LEU CD2 C 13 23.507 0.30 . 1 . 393 . . 36 LEU CD2 . 19290 1 445 . 1 1 36 36 LEU N N 15 126.518 0.30 . 1 . 401 . . 36 LEU N . 19290 1 446 . 1 1 37 37 MET H H 1 7.201 0.02 . 1 . 407 . . 37 MET H . 19290 1 447 . 1 1 37 37 MET HA H 1 4.442 0.02 . 1 . 408 . . 37 MET HA . 19290 1 448 . 1 1 37 37 MET HB2 H 1 1.801 0.02 . 2 . 409 . . 37 MET HB2 . 19290 1 449 . 1 1 37 37 MET HB3 H 1 1.580 0.02 . 2 . 410 . . 37 MET HB3 . 19290 1 450 . 1 1 37 37 MET HG2 H 1 2.350 0.02 . 2 . 411 . . 37 MET HG2 . 19290 1 451 . 1 1 37 37 MET HG3 H 1 2.256 0.02 . 2 . 412 . . 37 MET HG3 . 19290 1 452 . 1 1 37 37 MET HE1 H 1 1.663 0.02 . 1 . 413 . . 37 MET HE1 . 19290 1 453 . 1 1 37 37 MET HE2 H 1 1.663 0.02 . 1 . 413 . . 37 MET HE2 . 19290 1 454 . 1 1 37 37 MET HE3 H 1 1.663 0.02 . 1 . 413 . . 37 MET HE3 . 19290 1 455 . 1 1 37 37 MET C C 13 173.151 0.30 . 1 . 402 . . 37 MET C . 19290 1 456 . 1 1 37 37 MET CA C 13 54.730 0.30 . 1 . 403 . . 37 MET CA . 19290 1 457 . 1 1 37 37 MET CB C 13 33.393 0.30 . 1 . 404 . . 37 MET CB . 19290 1 458 . 1 1 37 37 MET CG C 13 31.208 0.30 . 1 . 405 . . 37 MET CG . 19290 1 459 . 1 1 37 37 MET CE C 13 16.497 0.30 . 1 . 406 . . 37 MET CE . 19290 1 460 . 1 1 37 37 MET N N 15 117.899 0.30 . 1 . 414 . . 37 MET N . 19290 1 461 . 1 1 38 38 VAL H H 1 8.217 0.02 . 1 . 420 . . 38 VAL H . 19290 1 462 . 1 1 38 38 VAL HA H 1 4.994 0.02 . 1 . 421 . . 38 VAL HA . 19290 1 463 . 1 1 38 38 VAL HB H 1 1.881 0.02 . 1 . 422 . . 38 VAL HB . 19290 1 464 . 1 1 38 38 VAL HG11 H 1 0.844 0.02 . 1 . 423 . . 38 VAL HG11 . 19290 1 465 . 1 1 38 38 VAL HG12 H 1 0.844 0.02 . 1 . 423 . . 38 VAL HG12 . 19290 1 466 . 1 1 38 38 VAL HG13 H 1 0.844 0.02 . 1 . 423 . . 38 VAL HG13 . 19290 1 467 . 1 1 38 38 VAL HG21 H 1 0.862 0.02 . 1 . 424 . . 38 VAL HG21 . 19290 1 468 . 1 1 38 38 VAL HG22 H 1 0.862 0.02 . 1 . 424 . . 38 VAL HG22 . 19290 1 469 . 1 1 38 38 VAL HG23 H 1 0.862 0.02 . 1 . 424 . . 38 VAL HG23 . 19290 1 470 . 1 1 38 38 VAL C C 13 174.495 0.30 . 1 . 415 . . 38 VAL C . 19290 1 471 . 1 1 38 38 VAL CA C 13 60.627 0.30 . 1 . 416 . . 38 VAL CA . 19290 1 472 . 1 1 38 38 VAL CB C 13 35.801 0.30 . 1 . 417 . . 38 VAL CB . 19290 1 473 . 1 1 38 38 VAL CG1 C 13 22.589 0.30 . 1 . 418 . . 38 VAL CG1 . 19290 1 474 . 1 1 38 38 VAL CG2 C 13 20.450 0.30 . 1 . 419 . . 38 VAL CG2 . 19290 1 475 . 1 1 38 38 VAL N N 15 119.033 0.30 . 1 . 425 . . 38 VAL N . 19290 1 476 . 1 1 39 39 GLN H H 1 8.657 0.02 . 1 . 430 . . 39 GLN H . 19290 1 477 . 1 1 39 39 GLN HA H 1 4.713 0.02 . 1 . 431 . . 39 GLN HA . 19290 1 478 . 1 1 39 39 GLN HB2 H 1 2.016 0.02 . 1 . 432 . . 39 GLN HB2 . 19290 1 479 . 1 1 39 39 GLN HB3 H 1 2.016 0.02 . 1 . 433 . . 39 GLN HB3 . 19290 1 480 . 1 1 39 39 GLN HG2 H 1 2.384 0.02 . 1 . 434 . . 39 GLN HG2 . 19290 1 481 . 1 1 39 39 GLN HG3 H 1 2.384 0.02 . 1 . 435 . . 39 GLN HG3 . 19290 1 482 . 1 1 39 39 GLN HE21 H 1 7.355 0.02 . 1 . 436 . . 39 GLN HE21 . 19290 1 483 . 1 1 39 39 GLN HE22 H 1 6.944 0.02 . 1 . 437 . . 39 GLN HE22 . 19290 1 484 . 1 1 39 39 GLN C C 13 174.599 0.30 . 1 . 426 . . 39 GLN C . 19290 1 485 . 1 1 39 39 GLN CA C 13 54.876 0.30 . 1 . 427 . . 39 GLN CA . 19290 1 486 . 1 1 39 39 GLN CB C 13 34.321 0.30 . 1 . 428 . . 39 GLN CB . 19290 1 487 . 1 1 39 39 GLN CG C 13 34.375 0.30 . 1 . 429 . . 39 GLN CG . 19290 1 488 . 1 1 39 39 GLN N N 15 121.151 0.30 . 1 . 438 . . 39 GLN N . 19290 1 489 . 1 1 39 39 GLN NE2 N 15 109.206 0.30 . 1 . 439 . . 39 GLN NE2 . 19290 1 490 . 1 1 40 40 VAL H H 1 8.989 0.02 . 1 . 445 . . 40 VAL H . 19290 1 491 . 1 1 40 40 VAL HA H 1 3.993 0.02 . 1 . 446 . . 40 VAL HA . 19290 1 492 . 1 1 40 40 VAL HB H 1 1.768 0.02 . 1 . 447 . . 40 VAL HB . 19290 1 493 . 1 1 40 40 VAL HG11 H 1 0.597 0.02 . 1 . 448 . . 40 VAL HG11 . 19290 1 494 . 1 1 40 40 VAL HG12 H 1 0.597 0.02 . 1 . 448 . . 40 VAL HG12 . 19290 1 495 . 1 1 40 40 VAL HG13 H 1 0.597 0.02 . 1 . 448 . . 40 VAL HG13 . 19290 1 496 . 1 1 40 40 VAL HG21 H 1 0.784 0.02 . 1 . 449 . . 40 VAL HG21 . 19290 1 497 . 1 1 40 40 VAL HG22 H 1 0.784 0.02 . 1 . 449 . . 40 VAL HG22 . 19290 1 498 . 1 1 40 40 VAL HG23 H 1 0.784 0.02 . 1 . 449 . . 40 VAL HG23 . 19290 1 499 . 1 1 40 40 VAL C C 13 176.136 0.30 . 1 . 440 . . 40 VAL C . 19290 1 500 . 1 1 40 40 VAL CA C 13 62.867 0.30 . 1 . 441 . . 40 VAL CA . 19290 1 501 . 1 1 40 40 VAL CB C 13 33.889 0.30 . 1 . 442 . . 40 VAL CB . 19290 1 502 . 1 1 40 40 VAL CG1 C 13 22.108 0.30 . 1 . 443 . . 40 VAL CG1 . 19290 1 503 . 1 1 40 40 VAL CG2 C 13 20.714 0.30 . 1 . 444 . . 40 VAL CG2 . 19290 1 504 . 1 1 40 40 VAL N N 15 124.836 0.30 . 1 . 450 . . 40 VAL N . 19290 1 505 . 1 1 41 41 LYS H H 1 7.946 0.02 . 1 . 454 . . 41 LYS H . 19290 1 506 . 1 1 41 41 LYS HA H 1 4.327 0.02 . 1 . 455 . . 41 LYS HA . 19290 1 507 . 1 1 41 41 LYS CA C 13 54.421 0.30 . 1 . 451 . . 41 LYS CA . 19290 1 508 . 1 1 41 41 LYS CB C 13 31.739 0.30 . 1 . 452 . . 41 LYS CB . 19290 1 509 . 1 1 41 41 LYS CD C 13 30.046 0.30 . 1 . 453 . . 41 LYS CD . 19290 1 510 . 1 1 41 41 LYS N N 15 125.934 0.30 . 1 . 456 . . 41 LYS N . 19290 1 511 . 1 1 42 42 LYS HA H 1 4.738 0.02 . 1 . 463 . . 42 LYS HA . 19290 1 512 . 1 1 42 42 LYS HB2 H 1 1.428 0.02 . 2 . 464 . . 42 LYS HB2 . 19290 1 513 . 1 1 42 42 LYS HB3 H 1 1.348 0.02 . 2 . 465 . . 42 LYS HB3 . 19290 1 514 . 1 1 42 42 LYS HG2 H 1 1.275 0.02 . 2 . 466 . . 42 LYS HG2 . 19290 1 515 . 1 1 42 42 LYS HG3 H 1 1.099 0.02 . 2 . 467 . . 42 LYS HG3 . 19290 1 516 . 1 1 42 42 LYS HD2 H 1 1.577 0.02 . 2 . 468 . . 42 LYS HD2 . 19290 1 517 . 1 1 42 42 LYS HD3 H 1 1.503 0.02 . 2 . 469 . . 42 LYS HD3 . 19290 1 518 . 1 1 42 42 LYS HE2 H 1 2.870 0.02 . 1 . 470 . . 42 LYS HE2 . 19290 1 519 . 1 1 42 42 LYS HE3 H 1 2.870 0.02 . 1 . 471 . . 42 LYS HE3 . 19290 1 520 . 1 1 42 42 LYS C C 13 175.554 0.30 . 1 . 457 . . 42 LYS C . 19290 1 521 . 1 1 42 42 LYS CA C 13 54.205 0.30 . 1 . 458 . . 42 LYS CA . 19290 1 522 . 1 1 42 42 LYS CB C 13 35.695 0.30 . 1 . 459 . . 42 LYS CB . 19290 1 523 . 1 1 42 42 LYS CG C 13 24.526 0.30 . 1 . 460 . . 42 LYS CG . 19290 1 524 . 1 1 42 42 LYS CD C 13 28.997 0.30 . 1 . 461 . . 42 LYS CD . 19290 1 525 . 1 1 42 42 LYS CE C 13 41.898 0.30 . 1 . 462 . . 42 LYS CE . 19290 1 526 . 1 1 43 43 ASP H H 1 8.631 0.02 . 1 . 475 . . 43 ASP H . 19290 1 527 . 1 1 43 43 ASP HA H 1 4.435 0.02 . 1 . 476 . . 43 ASP HA . 19290 1 528 . 1 1 43 43 ASP HB2 H 1 2.894 0.02 . 2 . 477 . . 43 ASP HB2 . 19290 1 529 . 1 1 43 43 ASP HB3 H 1 2.398 0.02 . 2 . 478 . . 43 ASP HB3 . 19290 1 530 . 1 1 43 43 ASP C C 13 177.495 0.30 . 1 . 472 . . 43 ASP C . 19290 1 531 . 1 1 43 43 ASP CA C 13 53.847 0.30 . 1 . 473 . . 43 ASP CA . 19290 1 532 . 1 1 43 43 ASP CB C 13 42.745 0.30 . 1 . 474 . . 43 ASP CB . 19290 1 533 . 1 1 43 43 ASP N N 15 121.994 0.30 . 1 . 479 . . 43 ASP N . 19290 1 534 . 1 1 44 44 LEU H H 1 8.806 0.02 . 1 . 486 . . 44 LEU H . 19290 1 535 . 1 1 44 44 LEU HA H 1 3.961 0.02 . 1 . 487 . . 44 LEU HA . 19290 1 536 . 1 1 44 44 LEU HB2 H 1 1.644 0.02 . 2 . 488 . . 44 LEU HB2 . 19290 1 537 . 1 1 44 44 LEU HB3 H 1 1.508 0.02 . 2 . 489 . . 44 LEU HB3 . 19290 1 538 . 1 1 44 44 LEU HG H 1 1.659 0.02 . 1 . 490 . . 44 LEU HG . 19290 1 539 . 1 1 44 44 LEU HD11 H 1 0.815 0.02 . 1 . 491 . . 44 LEU HD11 . 19290 1 540 . 1 1 44 44 LEU HD12 H 1 0.815 0.02 . 1 . 491 . . 44 LEU HD12 . 19290 1 541 . 1 1 44 44 LEU HD13 H 1 0.815 0.02 . 1 . 491 . . 44 LEU HD13 . 19290 1 542 . 1 1 44 44 LEU HD21 H 1 0.774 0.02 . 1 . 492 . . 44 LEU HD21 . 19290 1 543 . 1 1 44 44 LEU HD22 H 1 0.774 0.02 . 1 . 492 . . 44 LEU HD22 . 19290 1 544 . 1 1 44 44 LEU HD23 H 1 0.774 0.02 . 1 . 492 . . 44 LEU HD23 . 19290 1 545 . 1 1 44 44 LEU C C 13 178.211 0.30 . 1 . 480 . . 44 LEU C . 19290 1 546 . 1 1 44 44 LEU CA C 13 57.236 0.30 . 1 . 481 . . 44 LEU CA . 19290 1 547 . 1 1 44 44 LEU CB C 13 41.669 0.30 . 1 . 482 . . 44 LEU CB . 19290 1 548 . 1 1 44 44 LEU CG C 13 26.983 0.30 . 1 . 483 . . 44 LEU CG . 19290 1 549 . 1 1 44 44 LEU CD1 C 13 24.625 0.30 . 1 . 484 . . 44 LEU CD1 . 19290 1 550 . 1 1 44 44 LEU CD2 C 13 23.301 0.30 . 1 . 485 . . 44 LEU CD2 . 19290 1 551 . 1 1 44 44 LEU N N 15 128.582 0.30 . 1 . 493 . . 44 LEU N . 19290 1 552 . 1 1 45 45 LYS H H 1 8.388 0.02 . 1 . 500 . . 45 LYS H . 19290 1 553 . 1 1 45 45 LYS HA H 1 4.155 0.02 . 1 . 501 . . 45 LYS HA . 19290 1 554 . 1 1 45 45 LYS HB2 H 1 1.879 0.02 . 2 . 502 . . 45 LYS HB2 . 19290 1 555 . 1 1 45 45 LYS HB3 H 1 1.785 0.02 . 2 . 503 . . 45 LYS HB3 . 19290 1 556 . 1 1 45 45 LYS HG2 H 1 1.388 0.02 . 2 . 504 . . 45 LYS HG2 . 19290 1 557 . 1 1 45 45 LYS HG3 H 1 1.268 0.02 . 2 . 505 . . 45 LYS HG3 . 19290 1 558 . 1 1 45 45 LYS HD2 H 1 1.596 0.02 . 1 . 506 . . 45 LYS HD2 . 19290 1 559 . 1 1 45 45 LYS HD3 H 1 1.596 0.02 . 1 . 507 . . 45 LYS HD3 . 19290 1 560 . 1 1 45 45 LYS HE2 H 1 2.879 0.02 . 1 . 508 . . 45 LYS HE2 . 19290 1 561 . 1 1 45 45 LYS HE3 H 1 2.879 0.02 . 1 . 509 . . 45 LYS HE3 . 19290 1 562 . 1 1 45 45 LYS C C 13 178.510 0.30 . 1 . 494 . . 45 LYS C . 19290 1 563 . 1 1 45 45 LYS CA C 13 58.234 0.30 . 1 . 495 . . 45 LYS CA . 19290 1 564 . 1 1 45 45 LYS CB C 13 32.532 0.30 . 1 . 496 . . 45 LYS CB . 19290 1 565 . 1 1 45 45 LYS CG C 13 25.003 0.30 . 1 . 497 . . 45 LYS CG . 19290 1 566 . 1 1 45 45 LYS CD C 13 28.692 0.30 . 1 . 498 . . 45 LYS CD . 19290 1 567 . 1 1 45 45 LYS CE C 13 41.674 0.30 . 1 . 499 . . 45 LYS CE . 19290 1 568 . 1 1 45 45 LYS N N 15 117.252 0.30 . 1 . 510 . . 45 LYS N . 19290 1 569 . 1 1 46 46 THR H H 1 7.956 0.02 . 1 . 515 . . 46 THR H . 19290 1 570 . 1 1 46 46 THR HA H 1 4.195 0.02 . 1 . 516 . . 46 THR HA . 19290 1 571 . 1 1 46 46 THR HB H 1 3.793 0.02 . 1 . 517 . . 46 THR HB . 19290 1 572 . 1 1 46 46 THR HG21 H 1 1.012 0.02 . 1 . 518 . . 46 THR HG21 . 19290 1 573 . 1 1 46 46 THR HG22 H 1 1.012 0.02 . 1 . 518 . . 46 THR HG22 . 19290 1 574 . 1 1 46 46 THR HG23 H 1 1.012 0.02 . 1 . 518 . . 46 THR HG23 . 19290 1 575 . 1 1 46 46 THR C C 13 176.375 0.30 . 1 . 511 . . 46 THR C . 19290 1 576 . 1 1 46 46 THR CA C 13 61.576 0.30 . 1 . 512 . . 46 THR CA . 19290 1 577 . 1 1 46 46 THR CB C 13 70.755 0.30 . 1 . 513 . . 46 THR CB . 19290 1 578 . 1 1 46 46 THR CG2 C 13 20.870 0.30 . 1 . 514 . . 46 THR CG2 . 19290 1 579 . 1 1 46 46 THR N N 15 106.581 0.30 . 1 . 519 . . 46 THR N . 19290 1 580 . 1 1 47 47 GLY H H 1 8.189 0.02 . 1 . 522 . . 47 GLY H . 19290 1 581 . 1 1 47 47 GLY HA2 H 1 4.087 0.02 . 2 . 523 . . 47 GLY HA2 . 19290 1 582 . 1 1 47 47 GLY HA3 H 1 3.646 0.02 . 2 . 524 . . 47 GLY HA3 . 19290 1 583 . 1 1 47 47 GLY C C 13 173.539 0.30 . 1 . 520 . . 47 GLY C . 19290 1 584 . 1 1 47 47 GLY CA C 13 45.438 0.30 . 1 . 521 . . 47 GLY CA . 19290 1 585 . 1 1 47 47 GLY N N 15 110.470 0.30 . 1 . 525 . . 47 GLY N . 19290 1 586 . 1 1 48 48 HIS H H 1 7.804 0.02 . 1 . 530 . . 48 HIS H . 19290 1 587 . 1 1 48 48 HIS HA H 1 4.493 0.02 . 1 . 531 . . 48 HIS HA . 19290 1 588 . 1 1 48 48 HIS HB2 H 1 2.989 0.02 . 2 . 532 . . 48 HIS HB2 . 19290 1 589 . 1 1 48 48 HIS HB3 H 1 2.826 0.02 . 2 . 533 . . 48 HIS HB3 . 19290 1 590 . 1 1 48 48 HIS HD2 H 1 6.820 0.02 . 1 . 534 . . 48 HIS HD2 . 19290 1 591 . 1 1 48 48 HIS HE1 H 1 7.436 0.02 . 1 . 535 . . 48 HIS HE1 . 19290 1 592 . 1 1 48 48 HIS CA C 13 55.340 0.30 . 1 . 526 . . 48 HIS CA . 19290 1 593 . 1 1 48 48 HIS CB C 13 30.521 0.30 . 1 . 527 . . 48 HIS CB . 19290 1 594 . 1 1 48 48 HIS CD2 C 13 117.708 0.30 . 1 . 528 . . 48 HIS CD2 . 19290 1 595 . 1 1 48 48 HIS CE1 C 13 137.670 0.30 . 1 . 529 . . 48 HIS CE1 . 19290 1 596 . 1 1 48 48 HIS N N 15 119.090 0.30 . 1 . 536 . . 48 HIS N . 19290 1 597 . 1 1 49 49 SER H H 1 8.089 0.02 . 1 . 540 . . 49 SER H . 19290 1 598 . 1 1 49 49 SER HA H 1 4.304 0.02 . 1 . 541 . . 49 SER HA . 19290 1 599 . 1 1 49 49 SER HB2 H 1 3.906 0.02 . 2 . 542 . . 49 SER HB2 . 19290 1 600 . 1 1 49 49 SER HB3 H 1 3.646 0.02 . 2 . 543 . . 49 SER HB3 . 19290 1 601 . 1 1 49 49 SER C C 13 176.345 0.30 . 1 . 537 . . 49 SER C . 19290 1 602 . 1 1 49 49 SER CA C 13 58.405 0.30 . 1 . 538 . . 49 SER CA . 19290 1 603 . 1 1 49 49 SER CB C 13 64.642 0.30 . 1 . 539 . . 49 SER CB . 19290 1 604 . 1 1 50 50 LYS H H 1 9.144 0.02 . 1 . 550 . . 50 LYS H . 19290 1 605 . 1 1 50 50 LYS HA H 1 4.458 0.02 . 1 . 551 . . 50 LYS HA . 19290 1 606 . 1 1 50 50 LYS HB2 H 1 1.046 0.02 . 1 . 552 . . 50 LYS HB2 . 19290 1 607 . 1 1 50 50 LYS HB3 H 1 1.046 0.02 . 1 . 553 . . 50 LYS HB3 . 19290 1 608 . 1 1 50 50 LYS HG2 H 1 1.336 0.02 . 2 . 554 . . 50 LYS HG2 . 19290 1 609 . 1 1 50 50 LYS HG3 H 1 1.199 0.02 . 2 . 555 . . 50 LYS HG3 . 19290 1 610 . 1 1 50 50 LYS HD2 H 1 1.693 0.02 . 2 . 556 . . 50 LYS HD2 . 19290 1 611 . 1 1 50 50 LYS HD3 H 1 1.528 0.02 . 2 . 557 . . 50 LYS HD3 . 19290 1 612 . 1 1 50 50 LYS HE2 H 1 2.903 0.02 . 2 . 558 . . 50 LYS HE2 . 19290 1 613 . 1 1 50 50 LYS HE3 H 1 2.828 0.02 . 2 . 559 . . 50 LYS HE3 . 19290 1 614 . 1 1 50 50 LYS C C 13 178.107 0.30 . 1 . 544 . . 50 LYS C . 19290 1 615 . 1 1 50 50 LYS CA C 13 56.927 0.30 . 1 . 545 . . 50 LYS CA . 19290 1 616 . 1 1 50 50 LYS CB C 13 33.372 0.30 . 1 . 546 . . 50 LYS CB . 19290 1 617 . 1 1 50 50 LYS CG C 13 26.479 0.30 . 1 . 547 . . 50 LYS CG . 19290 1 618 . 1 1 50 50 LYS CD C 13 29.763 0.30 . 1 . 548 . . 50 LYS CD . 19290 1 619 . 1 1 50 50 LYS CE C 13 41.787 0.30 . 1 . 549 . . 50 LYS CE . 19290 1 620 . 1 1 50 50 LYS N N 15 123.992 0.30 . 1 . 560 . . 50 LYS N . 19290 1 621 . 1 1 51 51 GLY H H 1 9.753 0.02 . 1 . 563 . . 51 GLY H . 19290 1 622 . 1 1 51 51 GLY HA2 H 1 4.129 0.02 . 2 . 564 . . 51 GLY HA2 . 19290 1 623 . 1 1 51 51 GLY HA3 H 1 3.316 0.02 . 2 . 565 . . 51 GLY HA3 . 19290 1 624 . 1 1 51 51 GLY C C 13 172.166 0.30 . 1 . 561 . . 51 GLY C . 19290 1 625 . 1 1 51 51 GLY CA C 13 45.913 0.30 . 1 . 562 . . 51 GLY CA . 19290 1 626 . 1 1 51 51 GLY N N 15 107.794 0.30 . 1 . 566 . . 51 GLY N . 19290 1 627 . 1 1 52 52 PHE H H 1 7.092 0.02 . 1 . 575 . . 52 PHE H . 19290 1 628 . 1 1 52 52 PHE HA H 1 5.181 0.02 . 1 . 576 . . 52 PHE HA . 19290 1 629 . 1 1 52 52 PHE HB2 H 1 3.076 0.02 . 2 . 577 . . 52 PHE HB2 . 19290 1 630 . 1 1 52 52 PHE HB3 H 1 2.947 0.02 . 2 . 578 . . 52 PHE HB3 . 19290 1 631 . 1 1 52 52 PHE HD1 H 1 6.663 0.02 . 3 . 579 . . 52 PHE HD1 . 19290 1 632 . 1 1 52 52 PHE HD2 H 1 6.663 0.02 . 3 . 580 . . 52 PHE HD2 . 19290 1 633 . 1 1 52 52 PHE HE1 H 1 7.254 0.02 . 3 . 581 . . 52 PHE HE1 . 19290 1 634 . 1 1 52 52 PHE HE2 H 1 7.254 0.02 . 3 . 582 . . 52 PHE HE2 . 19290 1 635 . 1 1 52 52 PHE HZ H 1 7.186 0.02 . 1 . 583 . . 52 PHE HZ . 19290 1 636 . 1 1 52 52 PHE C C 13 172.076 0.30 . 1 . 567 . . 52 PHE C . 19290 1 637 . 1 1 52 52 PHE CA C 13 55.033 0.30 . 1 . 568 . . 52 PHE CA . 19290 1 638 . 1 1 52 52 PHE CB C 13 42.131 0.30 . 1 . 569 . . 52 PHE CB . 19290 1 639 . 1 1 52 52 PHE CD1 C 13 132.632 0.30 . 3 . 570 . . 52 PHE CD1 . 19290 1 640 . 1 1 52 52 PHE CD2 C 13 132.632 0.30 . 3 . 571 . . 52 PHE CD2 . 19290 1 641 . 1 1 52 52 PHE CE1 C 13 131.126 0.30 . 3 . 572 . . 52 PHE CE1 . 19290 1 642 . 1 1 52 52 PHE CE2 C 13 131.126 0.30 . 3 . 573 . . 52 PHE CE2 . 19290 1 643 . 1 1 52 52 PHE CZ C 13 128.733 0.30 . 1 . 574 . . 52 PHE CZ . 19290 1 644 . 1 1 52 52 PHE N N 15 111.511 0.30 . 1 . 584 . . 52 PHE N . 19290 1 645 . 1 1 53 53 GLY H H 1 8.295 0.02 . 1 . 587 . . 53 GLY H . 19290 1 646 . 1 1 53 53 GLY HA2 H 1 4.025 0.02 . 1 . 588 . . 53 GLY HA2 . 19290 1 647 . 1 1 53 53 GLY HA3 H 1 4.025 0.02 . 1 . 589 . . 53 GLY HA3 . 19290 1 648 . 1 1 53 53 GLY C C 13 169.822 0.30 . 1 . 585 . . 53 GLY C . 19290 1 649 . 1 1 53 53 GLY CA C 13 44.828 0.30 . 1 . 586 . . 53 GLY CA . 19290 1 650 . 1 1 53 53 GLY N N 15 106.907 0.30 . 1 . 590 . . 53 GLY N . 19290 1 651 . 1 1 54 54 PHE H H 1 9.110 0.02 . 1 . 599 . . 54 PHE H . 19290 1 652 . 1 1 54 54 PHE HA H 1 5.849 0.02 . 1 . 600 . . 54 PHE HA . 19290 1 653 . 1 1 54 54 PHE HB2 H 1 2.626 0.02 . 2 . 601 . . 54 PHE HB2 . 19290 1 654 . 1 1 54 54 PHE HB3 H 1 2.517 0.02 . 2 . 602 . . 54 PHE HB3 . 19290 1 655 . 1 1 54 54 PHE HD1 H 1 6.681 0.02 . 3 . 603 . . 54 PHE HD1 . 19290 1 656 . 1 1 54 54 PHE HD2 H 1 6.681 0.02 . 3 . 604 . . 54 PHE HD2 . 19290 1 657 . 1 1 54 54 PHE HE1 H 1 6.734 0.02 . 3 . 605 . . 54 PHE HE1 . 19290 1 658 . 1 1 54 54 PHE HE2 H 1 6.734 0.02 . 3 . 606 . . 54 PHE HE2 . 19290 1 659 . 1 1 54 54 PHE HZ H 1 6.404 0.02 . 1 . 607 . . 54 PHE HZ . 19290 1 660 . 1 1 54 54 PHE C C 13 173.659 0.30 . 1 . 591 . . 54 PHE C . 19290 1 661 . 1 1 54 54 PHE CA C 13 56.143 0.30 . 1 . 592 . . 54 PHE CA . 19290 1 662 . 1 1 54 54 PHE CB C 13 45.404 0.30 . 1 . 593 . . 54 PHE CB . 19290 1 663 . 1 1 54 54 PHE CD1 C 13 131.003 0.30 . 3 . 594 . . 54 PHE CD1 . 19290 1 664 . 1 1 54 54 PHE CD2 C 13 131.003 0.30 . 3 . 595 . . 54 PHE CD2 . 19290 1 665 . 1 1 54 54 PHE CE1 C 13 130.787 0.30 . 3 . 596 . . 54 PHE CE1 . 19290 1 666 . 1 1 54 54 PHE CE2 C 13 130.787 0.30 . 3 . 597 . . 54 PHE CE2 . 19290 1 667 . 1 1 54 54 PHE CZ C 13 127.896 0.30 . 1 . 598 . . 54 PHE CZ . 19290 1 668 . 1 1 54 54 PHE N N 15 115.737 0.30 . 1 . 608 . . 54 PHE N . 19290 1 669 . 1 1 55 55 VAL H H 1 8.746 0.02 . 1 . 614 . . 55 VAL H . 19290 1 670 . 1 1 55 55 VAL HA H 1 4.910 0.02 . 1 . 615 . . 55 VAL HA . 19290 1 671 . 1 1 55 55 VAL HB H 1 1.323 0.02 . 1 . 616 . . 55 VAL HB . 19290 1 672 . 1 1 55 55 VAL HG11 H 1 -0.047 0.02 . 1 . 617 . . 55 VAL HG11 . 19290 1 673 . 1 1 55 55 VAL HG12 H 1 -0.047 0.02 . 1 . 617 . . 55 VAL HG12 . 19290 1 674 . 1 1 55 55 VAL HG13 H 1 -0.047 0.02 . 1 . 617 . . 55 VAL HG13 . 19290 1 675 . 1 1 55 55 VAL HG21 H 1 -0.039 0.02 . 1 . 618 . . 55 VAL HG21 . 19290 1 676 . 1 1 55 55 VAL HG22 H 1 -0.039 0.02 . 1 . 618 . . 55 VAL HG22 . 19290 1 677 . 1 1 55 55 VAL HG23 H 1 -0.039 0.02 . 1 . 618 . . 55 VAL HG23 . 19290 1 678 . 1 1 55 55 VAL C C 13 171.255 0.30 . 1 . 609 . . 55 VAL C . 19290 1 679 . 1 1 55 55 VAL CA C 13 58.705 0.30 . 1 . 610 . . 55 VAL CA . 19290 1 680 . 1 1 55 55 VAL CB C 13 35.082 0.30 . 1 . 611 . . 55 VAL CB . 19290 1 681 . 1 1 55 55 VAL CG1 C 13 20.915 0.30 . 1 . 612 . . 55 VAL CG1 . 19290 1 682 . 1 1 55 55 VAL CG2 C 13 18.700 0.30 . 1 . 613 . . 55 VAL CG2 . 19290 1 683 . 1 1 55 55 VAL N N 15 116.093 0.30 . 1 . 619 . . 55 VAL N . 19290 1 684 . 1 1 56 56 ARG H H 1 8.038 0.02 . 1 . 625 . . 56 ARG H . 19290 1 685 . 1 1 56 56 ARG HA H 1 4.576 0.02 . 1 . 626 . . 56 ARG HA . 19290 1 686 . 1 1 56 56 ARG HB2 H 1 1.381 0.02 . 1 . 627 . . 56 ARG HB2 . 19290 1 687 . 1 1 56 56 ARG HB3 H 1 1.381 0.02 . 1 . 628 . . 56 ARG HB3 . 19290 1 688 . 1 1 56 56 ARG HG2 H 1 1.512 0.02 . 1 . 629 . . 56 ARG HG2 . 19290 1 689 . 1 1 56 56 ARG HG3 H 1 1.512 0.02 . 1 . 630 . . 56 ARG HG3 . 19290 1 690 . 1 1 56 56 ARG HD2 H 1 3.179 0.02 . 2 . 631 . . 56 ARG HD2 . 19290 1 691 . 1 1 56 56 ARG HD3 H 1 2.968 0.02 . 2 . 632 . . 56 ARG HD3 . 19290 1 692 . 1 1 56 56 ARG HE H 1 6.998 0.02 . 1 . 633 . . 56 ARG HE . 19290 1 693 . 1 1 56 56 ARG C C 13 174.315 0.30 . 1 . 620 . . 56 ARG C . 19290 1 694 . 1 1 56 56 ARG CA C 13 54.058 0.30 . 1 . 621 . . 56 ARG CA . 19290 1 695 . 1 1 56 56 ARG CB C 13 33.859 0.30 . 1 . 622 . . 56 ARG CB . 19290 1 696 . 1 1 56 56 ARG CG C 13 27.217 0.30 . 1 . 623 . . 56 ARG CG . 19290 1 697 . 1 1 56 56 ARG CD C 13 42.852 0.30 . 1 . 624 . . 56 ARG CD . 19290 1 698 . 1 1 56 56 ARG N N 15 124.434 0.30 . 1 . 634 . . 56 ARG N . 19290 1 699 . 1 1 56 56 ARG NE N 15 83.534 0.30 . 1 . 635 . . 56 ARG NE . 19290 1 700 . 1 1 57 57 PHE H H 1 9.083 0.02 . 1 . 644 . . 57 PHE H . 19290 1 701 . 1 1 57 57 PHE HA H 1 4.873 0.02 . 1 . 645 . . 57 PHE HA . 19290 1 702 . 1 1 57 57 PHE HB2 H 1 3.664 0.02 . 2 . 646 . . 57 PHE HB2 . 19290 1 703 . 1 1 57 57 PHE HB3 H 1 2.427 0.02 . 2 . 647 . . 57 PHE HB3 . 19290 1 704 . 1 1 57 57 PHE HD1 H 1 7.167 0.02 . 3 . 648 . . 57 PHE HD1 . 19290 1 705 . 1 1 57 57 PHE HD2 H 1 7.167 0.02 . 3 . 649 . . 57 PHE HD2 . 19290 1 706 . 1 1 57 57 PHE HE1 H 1 6.896 0.02 . 3 . 650 . . 57 PHE HE1 . 19290 1 707 . 1 1 57 57 PHE HE2 H 1 6.896 0.02 . 3 . 651 . . 57 PHE HE2 . 19290 1 708 . 1 1 57 57 PHE HZ H 1 6.714 0.02 . 1 . 652 . . 57 PHE HZ . 19290 1 709 . 1 1 57 57 PHE C C 13 174.763 0.30 . 1 . 636 . . 57 PHE C . 19290 1 710 . 1 1 57 57 PHE CA C 13 58.402 0.30 . 1 . 637 . . 57 PHE CA . 19290 1 711 . 1 1 57 57 PHE CB C 13 41.179 0.30 . 1 . 638 . . 57 PHE CB . 19290 1 712 . 1 1 57 57 PHE CD1 C 13 132.108 0.30 . 3 . 639 . . 57 PHE CD1 . 19290 1 713 . 1 1 57 57 PHE CD2 C 13 132.108 0.30 . 3 . 640 . . 57 PHE CD2 . 19290 1 714 . 1 1 57 57 PHE CE1 C 13 130.961 0.30 . 3 . 641 . . 57 PHE CE1 . 19290 1 715 . 1 1 57 57 PHE CE2 C 13 130.961 0.30 . 3 . 642 . . 57 PHE CE2 . 19290 1 716 . 1 1 57 57 PHE CZ C 13 129.671 0.30 . 1 . 643 . . 57 PHE CZ . 19290 1 717 . 1 1 57 57 PHE N N 15 127.335 0.30 . 1 . 653 . . 57 PHE N . 19290 1 718 . 1 1 58 58 THR H H 1 7.970 0.02 . 1 . 658 . . 58 THR H . 19290 1 719 . 1 1 58 58 THR HA H 1 3.974 0.02 . 1 . 659 . . 58 THR HA . 19290 1 720 . 1 1 58 58 THR HB H 1 4.138 0.02 . 1 . 660 . . 58 THR HB . 19290 1 721 . 1 1 58 58 THR HG21 H 1 1.160 0.02 . 1 . 661 . . 58 THR HG21 . 19290 1 722 . 1 1 58 58 THR HG22 H 1 1.160 0.02 . 1 . 661 . . 58 THR HG22 . 19290 1 723 . 1 1 58 58 THR HG23 H 1 1.160 0.02 . 1 . 661 . . 58 THR HG23 . 19290 1 724 . 1 1 58 58 THR C C 13 175.674 0.30 . 1 . 654 . . 58 THR C . 19290 1 725 . 1 1 58 58 THR CA C 13 65.261 0.30 . 1 . 655 . . 58 THR CA . 19290 1 726 . 1 1 58 58 THR CB C 13 68.588 0.30 . 1 . 656 . . 58 THR CB . 19290 1 727 . 1 1 58 58 THR CG2 C 13 23.215 0.30 . 1 . 657 . . 58 THR CG2 . 19290 1 728 . 1 1 58 58 THR N N 15 113.290 0.30 . 1 . 662 . . 58 THR N . 19290 1 729 . 1 1 59 59 GLU H H 1 8.417 0.02 . 1 . 667 . . 59 GLU H . 19290 1 730 . 1 1 59 59 GLU HA H 1 4.733 0.02 . 1 . 668 . . 59 GLU HA . 19290 1 731 . 1 1 59 59 GLU HB2 H 1 2.186 0.02 . 2 . 669 . . 59 GLU HB2 . 19290 1 732 . 1 1 59 59 GLU HB3 H 1 2.020 0.02 . 2 . 670 . . 59 GLU HB3 . 19290 1 733 . 1 1 59 59 GLU HG2 H 1 2.371 0.02 . 2 . 671 . . 59 GLU HG2 . 19290 1 734 . 1 1 59 59 GLU HG3 H 1 2.265 0.02 . 2 . 672 . . 59 GLU HG3 . 19290 1 735 . 1 1 59 59 GLU C C 13 176.644 0.30 . 1 . 663 . . 59 GLU C . 19290 1 736 . 1 1 59 59 GLU CA C 13 54.270 0.30 . 1 . 664 . . 59 GLU CA . 19290 1 737 . 1 1 59 59 GLU CB C 13 31.432 0.30 . 1 . 665 . . 59 GLU CB . 19290 1 738 . 1 1 59 59 GLU CG C 13 35.851 0.30 . 1 . 666 . . 59 GLU CG . 19290 1 739 . 1 1 59 59 GLU N N 15 118.691 0.30 . 1 . 673 . . 59 GLU N . 19290 1 740 . 1 1 60 60 TYR H H 1 9.174 0.02 . 1 . 681 . . 60 TYR H . 19290 1 741 . 1 1 60 60 TYR HA H 1 3.788 0.02 . 1 . 682 . . 60 TYR HA . 19290 1 742 . 1 1 60 60 TYR HB2 H 1 2.995 0.02 . 2 . 683 . . 60 TYR HB2 . 19290 1 743 . 1 1 60 60 TYR HB3 H 1 2.792 0.02 . 2 . 684 . . 60 TYR HB3 . 19290 1 744 . 1 1 60 60 TYR HD1 H 1 6.829 0.02 . 3 . 685 . . 60 TYR HD1 . 19290 1 745 . 1 1 60 60 TYR HD2 H 1 6.829 0.02 . 3 . 686 . . 60 TYR HD2 . 19290 1 746 . 1 1 60 60 TYR HE1 H 1 6.662 0.02 . 3 . 687 . . 60 TYR HE1 . 19290 1 747 . 1 1 60 60 TYR HE2 H 1 6.662 0.02 . 3 . 688 . . 60 TYR HE2 . 19290 1 748 . 1 1 60 60 TYR C C 13 176.480 0.30 . 1 . 674 . . 60 TYR C . 19290 1 749 . 1 1 60 60 TYR CA C 13 62.118 0.30 . 1 . 675 . . 60 TYR CA . 19290 1 750 . 1 1 60 60 TYR CB C 13 38.501 0.30 . 1 . 676 . . 60 TYR CB . 19290 1 751 . 1 1 60 60 TYR CD1 C 13 132.773 0.30 . 3 . 677 . . 60 TYR CD1 . 19290 1 752 . 1 1 60 60 TYR CD2 C 13 132.773 0.30 . 3 . 678 . . 60 TYR CD2 . 19290 1 753 . 1 1 60 60 TYR CE1 C 13 118.598 0.30 . 3 . 679 . . 60 TYR CE1 . 19290 1 754 . 1 1 60 60 TYR CE2 C 13 118.598 0.30 . 3 . 680 . . 60 TYR CE2 . 19290 1 755 . 1 1 60 60 TYR N N 15 127.551 0.30 . 1 . 689 . . 60 TYR N . 19290 1 756 . 1 1 61 61 GLU H H 1 9.302 0.02 . 1 . 694 . . 61 GLU H . 19290 1 757 . 1 1 61 61 GLU HA H 1 3.735 0.02 . 1 . 695 . . 61 GLU HA . 19290 1 758 . 1 1 61 61 GLU HB2 H 1 2.023 0.02 . 2 . 696 . . 61 GLU HB2 . 19290 1 759 . 1 1 61 61 GLU HB3 H 1 1.898 0.02 . 2 . 697 . . 61 GLU HB3 . 19290 1 760 . 1 1 61 61 GLU HG2 H 1 2.301 0.02 . 1 . 698 . . 61 GLU HG2 . 19290 1 761 . 1 1 61 61 GLU HG3 H 1 2.301 0.02 . 1 . 699 . . 61 GLU HG3 . 19290 1 762 . 1 1 61 61 GLU C C 13 178.958 0.30 . 1 . 690 . . 61 GLU C . 19290 1 763 . 1 1 61 61 GLU CA C 13 59.907 0.30 . 1 . 691 . . 61 GLU CA . 19290 1 764 . 1 1 61 61 GLU CB C 13 28.865 0.30 . 1 . 692 . . 61 GLU CB . 19290 1 765 . 1 1 61 61 GLU CG C 13 36.679 0.30 . 1 . 693 . . 61 GLU CG . 19290 1 766 . 1 1 61 61 GLU N N 15 116.644 0.30 . 1 . 700 . . 61 GLU N . 19290 1 767 . 1 1 62 62 THR H H 1 6.891 0.02 . 1 . 705 . . 62 THR H . 19290 1 768 . 1 1 62 62 THR HA H 1 3.603 0.02 . 1 . 706 . . 62 THR HA . 19290 1 769 . 1 1 62 62 THR HB H 1 3.920 0.02 . 1 . 707 . . 62 THR HB . 19290 1 770 . 1 1 62 62 THR HG21 H 1 0.327 0.02 . 1 . 708 . . 62 THR HG21 . 19290 1 771 . 1 1 62 62 THR HG22 H 1 0.327 0.02 . 1 . 708 . . 62 THR HG22 . 19290 1 772 . 1 1 62 62 THR HG23 H 1 0.327 0.02 . 1 . 708 . . 62 THR HG23 . 19290 1 773 . 1 1 62 62 THR C C 13 174.405 0.30 . 1 . 701 . . 62 THR C . 19290 1 774 . 1 1 62 62 THR CA C 13 65.606 0.30 . 1 . 702 . . 62 THR CA . 19290 1 775 . 1 1 62 62 THR CB C 13 67.832 0.30 . 1 . 703 . . 62 THR CB . 19290 1 776 . 1 1 62 62 THR CG2 C 13 24.130 0.30 . 1 . 704 . . 62 THR CG2 . 19290 1 777 . 1 1 62 62 THR N N 15 115.422 0.30 . 1 . 709 . . 62 THR N . 19290 1 778 . 1 1 63 63 GLN H H 1 7.136 0.02 . 1 . 714 . . 63 GLN H . 19290 1 779 . 1 1 63 63 GLN HA H 1 3.355 0.02 . 1 . 715 . . 63 GLN HA . 19290 1 780 . 1 1 63 63 GLN HB2 H 1 2.241 0.02 . 2 . 716 . . 63 GLN HB2 . 19290 1 781 . 1 1 63 63 GLN HB3 H 1 2.069 0.02 . 2 . 717 . . 63 GLN HB3 . 19290 1 782 . 1 1 63 63 GLN HG2 H 1 2.294 0.02 . 2 . 718 . . 63 GLN HG2 . 19290 1 783 . 1 1 63 63 GLN HG3 H 1 2.063 0.02 . 2 . 719 . . 63 GLN HG3 . 19290 1 784 . 1 1 63 63 GLN HE21 H 1 7.403 0.02 . 1 . 720 . . 63 GLN HE21 . 19290 1 785 . 1 1 63 63 GLN HE22 H 1 6.760 0.02 . 1 . 721 . . 63 GLN HE22 . 19290 1 786 . 1 1 63 63 GLN C C 13 176.689 0.30 . 1 . 710 . . 63 GLN C . 19290 1 787 . 1 1 63 63 GLN CA C 13 59.642 0.30 . 1 . 711 . . 63 GLN CA . 19290 1 788 . 1 1 63 63 GLN CB C 13 29.008 0.30 . 1 . 712 . . 63 GLN CB . 19290 1 789 . 1 1 63 63 GLN CG C 13 33.866 0.30 . 1 . 713 . . 63 GLN CG . 19290 1 790 . 1 1 63 63 GLN N N 15 121.612 0.30 . 1 . 722 . . 63 GLN N . 19290 1 791 . 1 1 63 63 GLN NE2 N 15 112.252 0.30 . 1 . 723 . . 63 GLN NE2 . 19290 1 792 . 1 1 64 64 VAL H H 1 7.826 0.02 . 1 . 729 . . 64 VAL H . 19290 1 793 . 1 1 64 64 VAL HA H 1 3.365 0.02 . 1 . 730 . . 64 VAL HA . 19290 1 794 . 1 1 64 64 VAL HB H 1 1.730 0.02 . 1 . 731 . . 64 VAL HB . 19290 1 795 . 1 1 64 64 VAL HG11 H 1 0.473 0.02 . 1 . 732 . . 64 VAL HG11 . 19290 1 796 . 1 1 64 64 VAL HG12 H 1 0.473 0.02 . 1 . 732 . . 64 VAL HG12 . 19290 1 797 . 1 1 64 64 VAL HG13 H 1 0.473 0.02 . 1 . 732 . . 64 VAL HG13 . 19290 1 798 . 1 1 64 64 VAL HG21 H 1 0.722 0.02 . 1 . 733 . . 64 VAL HG21 . 19290 1 799 . 1 1 64 64 VAL HG22 H 1 0.722 0.02 . 1 . 733 . . 64 VAL HG22 . 19290 1 800 . 1 1 64 64 VAL HG23 H 1 0.722 0.02 . 1 . 733 . . 64 VAL HG23 . 19290 1 801 . 1 1 64 64 VAL C C 13 178.928 0.30 . 1 . 724 . . 64 VAL C . 19290 1 802 . 1 1 64 64 VAL CA C 13 66.242 0.30 . 1 . 725 . . 64 VAL CA . 19290 1 803 . 1 1 64 64 VAL CB C 13 31.588 0.30 . 1 . 726 . . 64 VAL CB . 19290 1 804 . 1 1 64 64 VAL CG1 C 13 22.349 0.30 . 1 . 727 . . 64 VAL CG1 . 19290 1 805 . 1 1 64 64 VAL CG2 C 13 20.790 0.30 . 1 . 728 . . 64 VAL CG2 . 19290 1 806 . 1 1 64 64 VAL N N 15 117.085 0.30 . 1 . 734 . . 64 VAL N . 19290 1 807 . 1 1 65 65 LYS H H 1 7.374 0.02 . 1 . 741 . . 65 LYS H . 19290 1 808 . 1 1 65 65 LYS HA H 1 3.942 0.02 . 1 . 742 . . 65 LYS HA . 19290 1 809 . 1 1 65 65 LYS HB2 H 1 1.883 0.02 . 1 . 743 . . 65 LYS HB2 . 19290 1 810 . 1 1 65 65 LYS HB3 H 1 1.883 0.02 . 1 . 744 . . 65 LYS HB3 . 19290 1 811 . 1 1 65 65 LYS HG2 H 1 1.485 0.02 . 2 . 745 . . 65 LYS HG2 . 19290 1 812 . 1 1 65 65 LYS HG3 H 1 1.431 0.02 . 2 . 746 . . 65 LYS HG3 . 19290 1 813 . 1 1 65 65 LYS HD2 H 1 1.756 0.02 . 2 . 747 . . 65 LYS HD2 . 19290 1 814 . 1 1 65 65 LYS HD3 H 1 1.705 0.02 . 2 . 748 . . 65 LYS HD3 . 19290 1 815 . 1 1 65 65 LYS HE2 H 1 2.956 0.02 . 1 . 749 . . 65 LYS HE2 . 19290 1 816 . 1 1 65 65 LYS HE3 H 1 2.956 0.02 . 1 . 750 . . 65 LYS HE3 . 19290 1 817 . 1 1 65 65 LYS C C 13 180.197 0.30 . 1 . 735 . . 65 LYS C . 19290 1 818 . 1 1 65 65 LYS CA C 13 59.432 0.30 . 1 . 736 . . 65 LYS CA . 19290 1 819 . 1 1 65 65 LYS CB C 13 32.154 0.30 . 1 . 737 . . 65 LYS CB . 19290 1 820 . 1 1 65 65 LYS CG C 13 24.876 0.30 . 1 . 738 . . 65 LYS CG . 19290 1 821 . 1 1 65 65 LYS CD C 13 29.301 0.30 . 1 . 739 . . 65 LYS CD . 19290 1 822 . 1 1 65 65 LYS CE C 13 42.014 0.30 . 1 . 740 . . 65 LYS CE . 19290 1 823 . 1 1 65 65 LYS N N 15 121.235 0.30 . 1 . 751 . . 65 LYS N . 19290 1 824 . 1 1 66 66 VAL H H 1 8.076 0.02 . 1 . 757 . . 66 VAL H . 19290 1 825 . 1 1 66 66 VAL HA H 1 3.212 0.02 . 1 . 758 . . 66 VAL HA . 19290 1 826 . 1 1 66 66 VAL HB H 1 1.622 0.02 . 1 . 759 . . 66 VAL HB . 19290 1 827 . 1 1 66 66 VAL HG11 H 1 0.126 0.02 . 1 . 760 . . 66 VAL HG11 . 19290 1 828 . 1 1 66 66 VAL HG12 H 1 0.126 0.02 . 1 . 760 . . 66 VAL HG12 . 19290 1 829 . 1 1 66 66 VAL HG13 H 1 0.126 0.02 . 1 . 760 . . 66 VAL HG13 . 19290 1 830 . 1 1 66 66 VAL HG21 H 1 0.527 0.02 . 1 . 761 . . 66 VAL HG21 . 19290 1 831 . 1 1 66 66 VAL HG22 H 1 0.527 0.02 . 1 . 761 . . 66 VAL HG22 . 19290 1 832 . 1 1 66 66 VAL HG23 H 1 0.527 0.02 . 1 . 761 . . 66 VAL HG23 . 19290 1 833 . 1 1 66 66 VAL C C 13 178.361 0.30 . 1 . 752 . . 66 VAL C . 19290 1 834 . 1 1 66 66 VAL CA C 13 66.596 0.30 . 1 . 753 . . 66 VAL CA . 19290 1 835 . 1 1 66 66 VAL CB C 13 31.011 0.30 . 1 . 754 . . 66 VAL CB . 19290 1 836 . 1 1 66 66 VAL CG1 C 13 23.226 0.30 . 1 . 755 . . 66 VAL CG1 . 19290 1 837 . 1 1 66 66 VAL CG2 C 13 21.994 0.30 . 1 . 756 . . 66 VAL CG2 . 19290 1 838 . 1 1 66 66 VAL N N 15 119.233 0.30 . 1 . 762 . . 66 VAL N . 19290 1 839 . 1 1 67 67 MET H H 1 8.070 0.02 . 1 . 768 . . 67 MET H . 19290 1 840 . 1 1 67 67 MET HA H 1 4.223 0.02 . 1 . 769 . . 67 MET HA . 19290 1 841 . 1 1 67 67 MET HB2 H 1 2.243 0.02 . 2 . 770 . . 67 MET HB2 . 19290 1 842 . 1 1 67 67 MET HB3 H 1 2.079 0.02 . 2 . 771 . . 67 MET HB3 . 19290 1 843 . 1 1 67 67 MET HG2 H 1 2.649 0.02 . 2 . 772 . . 67 MET HG2 . 19290 1 844 . 1 1 67 67 MET HG3 H 1 2.305 0.02 . 2 . 773 . . 67 MET HG3 . 19290 1 845 . 1 1 67 67 MET HE1 H 1 2.085 0.02 . 1 . 774 . . 67 MET HE1 . 19290 1 846 . 1 1 67 67 MET HE2 H 1 2.085 0.02 . 1 . 774 . . 67 MET HE2 . 19290 1 847 . 1 1 67 67 MET HE3 H 1 2.085 0.02 . 1 . 774 . . 67 MET HE3 . 19290 1 848 . 1 1 67 67 MET C C 13 176.883 0.30 . 1 . 763 . . 67 MET C . 19290 1 849 . 1 1 67 67 MET CA C 13 58.241 0.30 . 1 . 764 . . 67 MET CA . 19290 1 850 . 1 1 67 67 MET CB C 13 34.235 0.30 . 1 . 765 . . 67 MET CB . 19290 1 851 . 1 1 67 67 MET CG C 13 32.604 0.30 . 1 . 766 . . 67 MET CG . 19290 1 852 . 1 1 67 67 MET CE C 13 16.804 0.30 . 1 . 767 . . 67 MET CE . 19290 1 853 . 1 1 67 67 MET N N 15 117.931 0.30 . 1 . 775 . . 67 MET N . 19290 1 854 . 1 1 68 68 SER H H 1 7.375 0.02 . 1 . 779 . . 68 SER H . 19290 1 855 . 1 1 68 68 SER HA H 1 4.361 0.02 . 1 . 780 . . 68 SER HA . 19290 1 856 . 1 1 68 68 SER HB2 H 1 4.019 0.02 . 1 . 781 . . 68 SER HB2 . 19290 1 857 . 1 1 68 68 SER HB3 H 1 4.019 0.02 . 1 . 782 . . 68 SER HB3 . 19290 1 858 . 1 1 68 68 SER C C 13 171.987 0.30 . 1 . 776 . . 68 SER C . 19290 1 859 . 1 1 68 68 SER CA C 13 59.538 0.30 . 1 . 777 . . 68 SER CA . 19290 1 860 . 1 1 68 68 SER CB C 13 64.021 0.30 . 1 . 778 . . 68 SER CB . 19290 1 861 . 1 1 68 68 SER N N 15 111.804 0.30 . 1 . 783 . . 68 SER N . 19290 1 862 . 1 1 69 69 GLN H H 1 7.300 0.02 . 1 . 788 . . 69 GLN H . 19290 1 863 . 1 1 69 69 GLN HA H 1 4.829 0.02 . 1 . 789 . . 69 GLN HA . 19290 1 864 . 1 1 69 69 GLN HB2 H 1 1.457 0.02 . 1 . 790 . . 69 GLN HB2 . 19290 1 865 . 1 1 69 69 GLN HB3 H 1 1.457 0.02 . 1 . 791 . . 69 GLN HB3 . 19290 1 866 . 1 1 69 69 GLN HG2 H 1 2.030 0.02 . 1 . 792 . . 69 GLN HG2 . 19290 1 867 . 1 1 69 69 GLN HG3 H 1 2.030 0.02 . 1 . 793 . . 69 GLN HG3 . 19290 1 868 . 1 1 69 69 GLN HE21 H 1 7.198 0.02 . 1 . 794 . . 69 GLN HE21 . 19290 1 869 . 1 1 69 69 GLN HE22 H 1 6.848 0.02 . 1 . 795 . . 69 GLN HE22 . 19290 1 870 . 1 1 69 69 GLN C C 13 174.136 0.30 . 1 . 784 . . 69 GLN C . 19290 1 871 . 1 1 69 69 GLN CA C 13 53.520 0.30 . 1 . 785 . . 69 GLN CA . 19290 1 872 . 1 1 69 69 GLN CB C 13 33.090 0.30 . 1 . 786 . . 69 GLN CB . 19290 1 873 . 1 1 69 69 GLN CG C 13 33.059 0.30 . 1 . 787 . . 69 GLN CG . 19290 1 874 . 1 1 69 69 GLN N N 15 116.035 0.30 . 1 . 796 . . 69 GLN N . 19290 1 875 . 1 1 69 69 GLN NE2 N 15 110.743 0.30 . 1 . 797 . . 69 GLN NE2 . 19290 1 876 . 1 1 70 70 ARG H H 1 8.343 0.02 . 1 . 803 . . 70 ARG H . 19290 1 877 . 1 1 70 70 ARG HA H 1 4.706 0.02 . 1 . 804 . . 70 ARG HA . 19290 1 878 . 1 1 70 70 ARG HB2 H 1 1.982 0.02 . 2 . 805 . . 70 ARG HB2 . 19290 1 879 . 1 1 70 70 ARG HB3 H 1 1.483 0.02 . 2 . 806 . . 70 ARG HB3 . 19290 1 880 . 1 1 70 70 ARG HG2 H 1 1.661 0.02 . 2 . 807 . . 70 ARG HG2 . 19290 1 881 . 1 1 70 70 ARG HG3 H 1 1.504 0.02 . 2 . 808 . . 70 ARG HG3 . 19290 1 882 . 1 1 70 70 ARG HD2 H 1 2.982 0.02 . 2 . 809 . . 70 ARG HD2 . 19290 1 883 . 1 1 70 70 ARG HD3 H 1 2.589 0.02 . 2 . 810 . . 70 ARG HD3 . 19290 1 884 . 1 1 70 70 ARG HE H 1 7.659 0.02 . 1 . 811 . . 70 ARG HE . 19290 1 885 . 1 1 70 70 ARG C C 13 175.957 0.30 . 1 . 798 . . 70 ARG C . 19290 1 886 . 1 1 70 70 ARG CA C 13 56.317 0.30 . 1 . 799 . . 70 ARG CA . 19290 1 887 . 1 1 70 70 ARG CB C 13 31.739 0.30 . 1 . 800 . . 70 ARG CB . 19290 1 888 . 1 1 70 70 ARG CG C 13 27.296 0.30 . 1 . 801 . . 70 ARG CG . 19290 1 889 . 1 1 70 70 ARG CD C 13 43.313 0.30 . 1 . 802 . . 70 ARG CD . 19290 1 890 . 1 1 70 70 ARG N N 15 119.069 0.30 . 1 . 812 . . 70 ARG N . 19290 1 891 . 1 1 70 70 ARG NE N 15 84.709 0.30 . 1 . 813 . . 70 ARG NE . 19290 1 892 . 1 1 71 71 HIS H H 1 8.700 0.02 . 1 . 819 . . 71 HIS H . 19290 1 893 . 1 1 71 71 HIS HA H 1 4.696 0.02 . 1 . 820 . . 71 HIS HA . 19290 1 894 . 1 1 71 71 HIS HB2 H 1 2.631 0.02 . 2 . 821 . . 71 HIS HB2 . 19290 1 895 . 1 1 71 71 HIS HB3 H 1 2.426 0.02 . 2 . 822 . . 71 HIS HB3 . 19290 1 896 . 1 1 71 71 HIS HD2 H 1 7.055 0.02 . 1 . 823 . . 71 HIS HD2 . 19290 1 897 . 1 1 71 71 HIS HE1 H 1 6.959 0.02 . 1 . 824 . . 71 HIS HE1 . 19290 1 898 . 1 1 71 71 HIS C C 13 173.226 0.30 . 1 . 814 . . 71 HIS C . 19290 1 899 . 1 1 71 71 HIS CA C 13 56.439 0.30 . 1 . 815 . . 71 HIS CA . 19290 1 900 . 1 1 71 71 HIS CB C 13 34.314 0.30 . 1 . 816 . . 71 HIS CB . 19290 1 901 . 1 1 71 71 HIS CD2 C 13 119.255 0.30 . 1 . 817 . . 71 HIS CD2 . 19290 1 902 . 1 1 71 71 HIS CE1 C 13 136.046 0.30 . 1 . 818 . . 71 HIS CE1 . 19290 1 903 . 1 1 71 71 HIS N N 15 118.273 0.30 . 1 . 825 . . 71 HIS N . 19290 1 904 . 1 1 72 72 MET H H 1 8.809 0.02 . 1 . 831 . . 72 MET H . 19290 1 905 . 1 1 72 72 MET HA H 1 4.016 0.02 . 1 . 832 . . 72 MET HA . 19290 1 906 . 1 1 72 72 MET HB2 H 1 1.427 0.02 . 2 . 833 . . 72 MET HB2 . 19290 1 907 . 1 1 72 72 MET HB3 H 1 0.053 0.02 . 2 . 834 . . 72 MET HB3 . 19290 1 908 . 1 1 72 72 MET HG2 H 1 1.630 0.02 . 2 . 835 . . 72 MET HG2 . 19290 1 909 . 1 1 72 72 MET HG3 H 1 1.372 0.02 . 2 . 836 . . 72 MET HG3 . 19290 1 910 . 1 1 72 72 MET HE1 H 1 0.778 0.02 . 1 . 837 . . 72 MET HE1 . 19290 1 911 . 1 1 72 72 MET HE2 H 1 0.778 0.02 . 1 . 837 . . 72 MET HE2 . 19290 1 912 . 1 1 72 72 MET HE3 H 1 0.778 0.02 . 1 . 837 . . 72 MET HE3 . 19290 1 913 . 1 1 72 72 MET C C 13 173.256 0.30 . 1 . 826 . . 72 MET C . 19290 1 914 . 1 1 72 72 MET CA C 13 53.826 0.30 . 1 . 827 . . 72 MET CA . 19290 1 915 . 1 1 72 72 MET CB C 13 28.828 0.30 . 1 . 828 . . 72 MET CB . 19290 1 916 . 1 1 72 72 MET CG C 13 30.853 0.30 . 1 . 829 . . 72 MET CG . 19290 1 917 . 1 1 72 72 MET CE C 13 14.518 0.30 . 1 . 830 . . 72 MET CE . 19290 1 918 . 1 1 72 72 MET N N 15 128.881 0.30 . 1 . 838 . . 72 MET N . 19290 1 919 . 1 1 73 73 ILE H H 1 8.011 0.02 . 1 . 845 . . 73 ILE H . 19290 1 920 . 1 1 73 73 ILE HA H 1 3.423 0.02 . 1 . 846 . . 73 ILE HA . 19290 1 921 . 1 1 73 73 ILE HB H 1 1.498 0.02 . 1 . 847 . . 73 ILE HB . 19290 1 922 . 1 1 73 73 ILE HG12 H 1 0.579 0.02 . 2 . 848 . . 73 ILE HG12 . 19290 1 923 . 1 1 73 73 ILE HG13 H 1 -0.863 0.02 . 2 . 849 . . 73 ILE HG13 . 19290 1 924 . 1 1 73 73 ILE HG21 H 1 0.218 0.02 . 1 . 850 . . 73 ILE HG21 . 19290 1 925 . 1 1 73 73 ILE HG22 H 1 0.218 0.02 . 1 . 850 . . 73 ILE HG22 . 19290 1 926 . 1 1 73 73 ILE HG23 H 1 0.218 0.02 . 1 . 850 . . 73 ILE HG23 . 19290 1 927 . 1 1 73 73 ILE HD11 H 1 -0.006 0.02 . 1 . 851 . . 73 ILE HD11 . 19290 1 928 . 1 1 73 73 ILE HD12 H 1 -0.006 0.02 . 1 . 851 . . 73 ILE HD12 . 19290 1 929 . 1 1 73 73 ILE HD13 H 1 -0.006 0.02 . 1 . 851 . . 73 ILE HD13 . 19290 1 930 . 1 1 73 73 ILE C C 13 173.793 0.30 . 1 . 839 . . 73 ILE C . 19290 1 931 . 1 1 73 73 ILE CA C 13 60.347 0.30 . 1 . 840 . . 73 ILE CA . 19290 1 932 . 1 1 73 73 ILE CB C 13 38.504 0.30 . 1 . 841 . . 73 ILE CB . 19290 1 933 . 1 1 73 73 ILE CG1 C 13 25.374 0.30 . 1 . 842 . . 73 ILE CG1 . 19290 1 934 . 1 1 73 73 ILE CG2 C 13 15.919 0.30 . 1 . 843 . . 73 ILE CG2 . 19290 1 935 . 1 1 73 73 ILE CD1 C 13 12.758 0.30 . 1 . 844 . . 73 ILE CD1 . 19290 1 936 . 1 1 73 73 ILE N N 15 128.156 0.30 . 1 . 852 . . 73 ILE N . 19290 1 937 . 1 1 74 74 ASP H H 1 8.427 0.02 . 1 . 856 . . 74 ASP H . 19290 1 938 . 1 1 74 74 ASP HA H 1 3.935 0.02 . 1 . 857 . . 74 ASP HA . 19290 1 939 . 1 1 74 74 ASP HB2 H 1 2.761 0.02 . 2 . 858 . . 74 ASP HB2 . 19290 1 940 . 1 1 74 74 ASP HB3 H 1 2.077 0.02 . 2 . 859 . . 74 ASP HB3 . 19290 1 941 . 1 1 74 74 ASP C C 13 175.107 0.30 . 1 . 853 . . 74 ASP C . 19290 1 942 . 1 1 74 74 ASP CA C 13 54.660 0.30 . 1 . 854 . . 74 ASP CA . 19290 1 943 . 1 1 74 74 ASP CB C 13 40.418 0.30 . 1 . 855 . . 74 ASP CB . 19290 1 944 . 1 1 74 74 ASP N N 15 124.222 0.30 . 1 . 860 . . 74 ASP N . 19290 1 945 . 1 1 75 75 GLY H H 1 7.528 0.02 . 1 . 863 . . 75 GLY H . 19290 1 946 . 1 1 75 75 GLY HA2 H 1 3.924 0.02 . 2 . 864 . . 75 GLY HA2 . 19290 1 947 . 1 1 75 75 GLY HA3 H 1 3.284 0.02 . 2 . 865 . . 75 GLY HA3 . 19290 1 948 . 1 1 75 75 GLY C C 13 173.778 0.30 . 1 . 861 . . 75 GLY C . 19290 1 949 . 1 1 75 75 GLY CA C 13 45.358 0.30 . 1 . 862 . . 75 GLY CA . 19290 1 950 . 1 1 75 75 GLY N N 15 100.372 0.30 . 1 . 866 . . 75 GLY N . 19290 1 951 . 1 1 76 76 ARG H H 1 7.445 0.02 . 1 . 872 . . 76 ARG H . 19290 1 952 . 1 1 76 76 ARG HA H 1 4.327 0.02 . 1 . 873 . . 76 ARG HA . 19290 1 953 . 1 1 76 76 ARG HB2 H 1 1.549 0.02 . 2 . 874 . . 76 ARG HB2 . 19290 1 954 . 1 1 76 76 ARG HB3 H 1 1.196 0.02 . 2 . 875 . . 76 ARG HB3 . 19290 1 955 . 1 1 76 76 ARG HG2 H 1 1.400 0.02 . 2 . 876 . . 76 ARG HG2 . 19290 1 956 . 1 1 76 76 ARG HG3 H 1 1.308 0.02 . 2 . 877 . . 76 ARG HG3 . 19290 1 957 . 1 1 76 76 ARG HD2 H 1 2.756 0.02 . 2 . 878 . . 76 ARG HD2 . 19290 1 958 . 1 1 76 76 ARG HD3 H 1 2.580 0.02 . 2 . 879 . . 76 ARG HD3 . 19290 1 959 . 1 1 76 76 ARG HE H 1 6.566 0.02 . 1 . 880 . . 76 ARG HE . 19290 1 960 . 1 1 76 76 ARG C C 13 173.808 0.30 . 1 . 867 . . 76 ARG C . 19290 1 961 . 1 1 76 76 ARG CA C 13 54.492 0.30 . 1 . 868 . . 76 ARG CA . 19290 1 962 . 1 1 76 76 ARG CB C 13 34.063 0.30 . 1 . 869 . . 76 ARG CB . 19290 1 963 . 1 1 76 76 ARG CG C 13 28.086 0.30 . 1 . 870 . . 76 ARG CG . 19290 1 964 . 1 1 76 76 ARG CD C 13 42.470 0.30 . 1 . 871 . . 76 ARG CD . 19290 1 965 . 1 1 76 76 ARG N N 15 121.919 0.30 . 1 . 881 . . 76 ARG N . 19290 1 966 . 1 1 76 76 ARG NE N 15 83.229 0.30 . 1 . 882 . . 76 ARG NE . 19290 1 967 . 1 1 77 77 TRP H H 1 8.158 0.02 . 1 . 891 . . 77 TRP H . 19290 1 968 . 1 1 77 77 TRP HA H 1 4.696 0.02 . 1 . 892 . . 77 TRP HA . 19290 1 969 . 1 1 77 77 TRP HB2 H 1 2.934 0.02 . 2 . 893 . . 77 TRP HB2 . 19290 1 970 . 1 1 77 77 TRP HB3 H 1 2.773 0.02 . 2 . 894 . . 77 TRP HB3 . 19290 1 971 . 1 1 77 77 TRP HD1 H 1 7.158 0.02 . 1 . 895 . . 77 TRP HD1 . 19290 1 972 . 1 1 77 77 TRP HE1 H 1 9.929 0.02 . 1 . 896 . . 77 TRP HE1 . 19290 1 973 . 1 1 77 77 TRP HE3 H 1 7.146 0.02 . 1 . 897 . . 77 TRP HE3 . 19290 1 974 . 1 1 77 77 TRP HZ2 H 1 7.337 0.02 . 1 . 898 . . 77 TRP HZ2 . 19290 1 975 . 1 1 77 77 TRP HZ3 H 1 6.733 0.02 . 1 . 899 . . 77 TRP HZ3 . 19290 1 976 . 1 1 77 77 TRP HH2 H 1 7.084 0.02 . 1 . 900 . . 77 TRP HH2 . 19290 1 977 . 1 1 77 77 TRP C C 13 176.331 0.30 . 1 . 883 . . 77 TRP C . 19290 1 978 . 1 1 77 77 TRP CA C 13 57.409 0.30 . 1 . 884 . . 77 TRP CA . 19290 1 979 . 1 1 77 77 TRP CB C 13 30.046 0.30 . 1 . 885 . . 77 TRP CB . 19290 1 980 . 1 1 77 77 TRP CD1 C 13 127.340 0.30 . 1 . 886 . . 77 TRP CD1 . 19290 1 981 . 1 1 77 77 TRP CE3 C 13 120.430 0.30 . 1 . 887 . . 77 TRP CE3 . 19290 1 982 . 1 1 77 77 TRP CZ2 C 13 114.902 0.30 . 1 . 888 . . 77 TRP CZ2 . 19290 1 983 . 1 1 77 77 TRP CZ3 C 13 122.123 0.30 . 1 . 889 . . 77 TRP CZ3 . 19290 1 984 . 1 1 77 77 TRP CH2 C 13 124.381 0.30 . 1 . 890 . . 77 TRP CH2 . 19290 1 985 . 1 1 77 77 TRP N N 15 122.194 0.30 . 1 . 901 . . 77 TRP N . 19290 1 986 . 1 1 77 77 TRP NE1 N 15 128.487 0.30 . 1 . 902 . . 77 TRP NE1 . 19290 1 987 . 1 1 78 78 CYS H H 1 9.683 0.02 . 1 . 906 . . 78 CYS H . 19290 1 988 . 1 1 78 78 CYS HA H 1 5.048 0.02 . 1 . 907 . . 78 CYS HA . 19290 1 989 . 1 1 78 78 CYS HB2 H 1 2.533 0.02 . 1 . 908 . . 78 CYS HB2 . 19290 1 990 . 1 1 78 78 CYS HB3 H 1 2.533 0.02 . 1 . 909 . . 78 CYS HB3 . 19290 1 991 . 1 1 78 78 CYS C C 13 174.032 0.30 . 1 . 903 . . 78 CYS C . 19290 1 992 . 1 1 78 78 CYS CA C 13 58.110 0.30 . 1 . 904 . . 78 CYS CA . 19290 1 993 . 1 1 78 78 CYS CB C 13 30.953 0.30 . 1 . 905 . . 78 CYS CB . 19290 1 994 . 1 1 78 78 CYS N N 15 120.862 0.30 . 1 . 910 . . 78 CYS N . 19290 1 995 . 1 1 79 79 ASP H H 1 8.013 0.02 . 1 . 914 . . 79 ASP H . 19290 1 996 . 1 1 79 79 ASP HA H 1 5.262 0.02 . 1 . 915 . . 79 ASP HA . 19290 1 997 . 1 1 79 79 ASP HB2 H 1 2.463 0.02 . 2 . 916 . . 79 ASP HB2 . 19290 1 998 . 1 1 79 79 ASP HB3 H 1 2.267 0.02 . 2 . 917 . . 79 ASP HB3 . 19290 1 999 . 1 1 79 79 ASP C C 13 174.375 0.30 . 1 . 911 . . 79 ASP C . 19290 1 1000 . 1 1 79 79 ASP CA C 13 53.664 0.30 . 1 . 912 . . 79 ASP CA . 19290 1 1001 . 1 1 79 79 ASP CB C 13 45.578 0.30 . 1 . 913 . . 79 ASP CB . 19290 1 1002 . 1 1 79 79 ASP N N 15 119.661 0.30 . 1 . 918 . . 79 ASP N . 19290 1 1003 . 1 1 80 80 CYS H H 1 9.481 0.02 . 1 . 922 . . 80 CYS H . 19290 1 1004 . 1 1 80 80 CYS HA H 1 5.727 0.02 . 1 . 923 . . 80 CYS HA . 19290 1 1005 . 1 1 80 80 CYS HB2 H 1 2.688 0.02 . 2 . 924 . . 80 CYS HB2 . 19290 1 1006 . 1 1 80 80 CYS HB3 H 1 2.516 0.02 . 2 . 925 . . 80 CYS HB3 . 19290 1 1007 . 1 1 80 80 CYS C C 13 173.823 0.30 . 1 . 919 . . 80 CYS C . 19290 1 1008 . 1 1 80 80 CYS CA C 13 57.174 0.30 . 1 . 920 . . 80 CYS CA . 19290 1 1009 . 1 1 80 80 CYS CB C 13 29.429 0.30 . 1 . 921 . . 80 CYS CB . 19290 1 1010 . 1 1 80 80 CYS N N 15 120.419 0.30 . 1 . 926 . . 80 CYS N . 19290 1 1011 . 1 1 81 81 LYS H H 1 8.778 0.02 . 1 . 933 . . 81 LYS H . 19290 1 1012 . 1 1 81 81 LYS HA H 1 4.706 0.02 . 1 . 934 . . 81 LYS HA . 19290 1 1013 . 1 1 81 81 LYS HB2 H 1 1.934 0.02 . 2 . 935 . . 81 LYS HB2 . 19290 1 1014 . 1 1 81 81 LYS HB3 H 1 1.381 0.02 . 2 . 936 . . 81 LYS HB3 . 19290 1 1015 . 1 1 81 81 LYS HG2 H 1 1.207 0.02 . 2 . 937 . . 81 LYS HG2 . 19290 1 1016 . 1 1 81 81 LYS HG3 H 1 1.058 0.02 . 2 . 938 . . 81 LYS HG3 . 19290 1 1017 . 1 1 81 81 LYS HD2 H 1 1.521 0.02 . 1 . 939 . . 81 LYS HD2 . 19290 1 1018 . 1 1 81 81 LYS HD3 H 1 1.521 0.02 . 1 . 940 . . 81 LYS HD3 . 19290 1 1019 . 1 1 81 81 LYS HE2 H 1 2.891 0.02 . 2 . 941 . . 81 LYS HE2 . 19290 1 1020 . 1 1 81 81 LYS HE3 H 1 2.864 0.02 . 2 . 942 . . 81 LYS HE3 . 19290 1 1021 . 1 1 81 81 LYS C C 13 174.853 0.30 . 1 . 927 . . 81 LYS C . 19290 1 1022 . 1 1 81 81 LYS CA C 13 54.266 0.30 . 1 . 928 . . 81 LYS CA . 19290 1 1023 . 1 1 81 81 LYS CB C 13 36.411 0.30 . 1 . 929 . . 81 LYS CB . 19290 1 1024 . 1 1 81 81 LYS CG C 13 24.064 0.30 . 1 . 930 . . 81 LYS CG . 19290 1 1025 . 1 1 81 81 LYS CD C 13 29.298 0.30 . 1 . 931 . . 81 LYS CD . 19290 1 1026 . 1 1 81 81 LYS CE C 13 41.833 0.30 . 1 . 932 . . 81 LYS CE . 19290 1 1027 . 1 1 81 81 LYS N N 15 121.604 0.30 . 1 . 943 . . 81 LYS N . 19290 1 1028 . 1 1 82 82 LEU H H 1 8.621 0.02 . 1 . 949 . . 82 LEU H . 19290 1 1029 . 1 1 82 82 LEU HA H 1 4.806 0.02 . 1 . 950 . . 82 LEU HA . 19290 1 1030 . 1 1 82 82 LEU HB2 H 1 1.648 0.02 . 2 . 951 . . 82 LEU HB2 . 19290 1 1031 . 1 1 82 82 LEU HB3 H 1 1.505 0.02 . 2 . 952 . . 82 LEU HB3 . 19290 1 1032 . 1 1 82 82 LEU HG H 1 1.665 0.02 . 1 . 953 . . 82 LEU HG . 19290 1 1033 . 1 1 82 82 LEU HD11 H 1 0.948 0.02 . 1 . 954 . . 82 LEU HD11 . 19290 1 1034 . 1 1 82 82 LEU HD12 H 1 0.948 0.02 . 1 . 954 . . 82 LEU HD12 . 19290 1 1035 . 1 1 82 82 LEU HD13 H 1 0.948 0.02 . 1 . 954 . . 82 LEU HD13 . 19290 1 1036 . 1 1 82 82 LEU HD21 H 1 0.901 0.02 . 1 . 955 . . 82 LEU HD21 . 19290 1 1037 . 1 1 82 82 LEU HD22 H 1 0.901 0.02 . 1 . 955 . . 82 LEU HD22 . 19290 1 1038 . 1 1 82 82 LEU HD23 H 1 0.901 0.02 . 1 . 955 . . 82 LEU HD23 . 19290 1 1039 . 1 1 82 82 LEU CA C 13 53.504 0.30 . 1 . 944 . . 82 LEU CA . 19290 1 1040 . 1 1 82 82 LEU CB C 13 40.843 0.30 . 1 . 945 . . 82 LEU CB . 19290 1 1041 . 1 1 82 82 LEU CG C 13 27.141 0.30 . 1 . 946 . . 82 LEU CG . 19290 1 1042 . 1 1 82 82 LEU CD1 C 13 25.335 0.30 . 1 . 947 . . 82 LEU CD1 . 19290 1 1043 . 1 1 82 82 LEU CD2 C 13 23.655 0.30 . 1 . 948 . . 82 LEU CD2 . 19290 1 1044 . 1 1 82 82 LEU N N 15 122.794 0.30 . 1 . 956 . . 82 LEU N . 19290 1 1045 . 1 1 83 83 PRO HA H 1 4.492 0.02 . 1 . 961 . . 83 PRO HA . 19290 1 1046 . 1 1 83 83 PRO HB2 H 1 2.337 0.02 . 2 . 962 . . 83 PRO HB2 . 19290 1 1047 . 1 1 83 83 PRO HB3 H 1 2.244 0.02 . 2 . 963 . . 83 PRO HB3 . 19290 1 1048 . 1 1 83 83 PRO HG2 H 1 2.289 0.02 . 2 . 964 . . 83 PRO HG2 . 19290 1 1049 . 1 1 83 83 PRO HG3 H 1 2.077 0.02 . 2 . 965 . . 83 PRO HG3 . 19290 1 1050 . 1 1 83 83 PRO HD2 H 1 4.363 0.02 . 2 . 966 . . 83 PRO HD2 . 19290 1 1051 . 1 1 83 83 PRO HD3 H 1 3.825 0.02 . 2 . 967 . . 83 PRO HD3 . 19290 1 1052 . 1 1 83 83 PRO CA C 13 62.687 0.30 . 1 . 957 . . 83 PRO CA . 19290 1 1053 . 1 1 83 83 PRO CB C 13 32.490 0.30 . 1 . 958 . . 83 PRO CB . 19290 1 1054 . 1 1 83 83 PRO CG C 13 27.778 0.30 . 1 . 959 . . 83 PRO CG . 19290 1 1055 . 1 1 83 83 PRO CD C 13 51.681 0.30 . 1 . 960 . . 83 PRO CD . 19290 1 1056 . 1 1 84 84 ASN H H 1 8.181 0.02 . 1 . 971 . . 84 ASN H . 19290 1 1057 . 1 1 84 84 ASN HA H 1 4.503 0.02 . 1 . 972 . . 84 ASN HA . 19290 1 1058 . 1 1 84 84 ASN HB2 H 1 2.732 0.02 . 2 . 973 . . 84 ASN HB2 . 19290 1 1059 . 1 1 84 84 ASN HB3 H 1 2.583 0.02 . 2 . 974 . . 84 ASN HB3 . 19290 1 1060 . 1 1 84 84 ASN HD21 H 1 7.249 0.02 . 1 . 975 . . 84 ASN HD21 . 19290 1 1061 . 1 1 84 84 ASN HD22 H 1 6.980 0.02 . 1 . 976 . . 84 ASN HD22 . 19290 1 1062 . 1 1 84 84 ASN C C 13 176.301 0.30 . 1 . 968 . . 84 ASN C . 19290 1 1063 . 1 1 84 84 ASN CA C 13 54.123 0.30 . 1 . 969 . . 84 ASN CA . 19290 1 1064 . 1 1 84 84 ASN CB C 13 37.704 0.30 . 1 . 970 . . 84 ASN CB . 19290 1 1065 . 1 1 84 84 ASN N N 15 121.163 0.30 . 1 . 977 . . 84 ASN N . 19290 1 1066 . 1 1 84 84 ASN ND2 N 15 111.656 0.30 . 1 . 978 . . 84 ASN ND2 . 19290 1 1067 . 1 1 85 85 SER H H 1 8.630 0.02 . 1 . 982 . . 85 SER H . 19290 1 1068 . 1 1 85 85 SER HA H 1 4.308 0.02 . 1 . 983 . . 85 SER HA . 19290 1 1069 . 1 1 85 85 SER HB2 H 1 3.866 0.02 . 2 . 984 . . 85 SER HB2 . 19290 1 1070 . 1 1 85 85 SER HB3 H 1 3.814 0.02 . 2 . 985 . . 85 SER HB3 . 19290 1 1071 . 1 1 85 85 SER C C 13 174.957 0.30 . 1 . 979 . . 85 SER C . 19290 1 1072 . 1 1 85 85 SER CA C 13 58.397 0.30 . 1 . 980 . . 85 SER CA . 19290 1 1073 . 1 1 85 85 SER CB C 13 63.117 0.30 . 1 . 981 . . 85 SER CB . 19290 1 1074 . 1 1 85 85 SER N N 15 117.144 0.30 . 1 . 986 . . 85 SER N . 19290 1 1075 . 1 1 86 86 LYS H H 1 8.086 0.02 . 1 . 993 . . 86 LYS H . 19290 1 1076 . 1 1 86 86 LYS HA H 1 4.282 0.02 . 1 . 994 . . 86 LYS HA . 19290 1 1077 . 1 1 86 86 LYS HB2 H 1 1.876 0.02 . 2 . 995 . . 86 LYS HB2 . 19290 1 1078 . 1 1 86 86 LYS HB3 H 1 1.714 0.02 . 2 . 996 . . 86 LYS HB3 . 19290 1 1079 . 1 1 86 86 LYS HG2 H 1 1.426 0.02 . 1 . 997 . . 86 LYS HG2 . 19290 1 1080 . 1 1 86 86 LYS HG3 H 1 1.426 0.02 . 1 . 998 . . 86 LYS HG3 . 19290 1 1081 . 1 1 86 86 LYS HD2 H 1 1.656 0.02 . 1 . 999 . . 86 LYS HD2 . 19290 1 1082 . 1 1 86 86 LYS HD3 H 1 1.656 0.02 . 1 . 1000 . . 86 LYS HD3 . 19290 1 1083 . 1 1 86 86 LYS HE2 H 1 2.960 0.02 . 1 . 1001 . . 86 LYS HE2 . 19290 1 1084 . 1 1 86 86 LYS HE3 H 1 2.960 0.02 . 1 . 1002 . . 86 LYS HE3 . 19290 1 1085 . 1 1 86 86 LYS C C 13 176.525 0.30 . 1 . 987 . . 86 LYS C . 19290 1 1086 . 1 1 86 86 LYS CA C 13 56.106 0.30 . 1 . 988 . . 86 LYS CA . 19290 1 1087 . 1 1 86 86 LYS CB C 13 32.439 0.30 . 1 . 989 . . 86 LYS CB . 19290 1 1088 . 1 1 86 86 LYS CG C 13 24.870 0.30 . 1 . 990 . . 86 LYS CG . 19290 1 1089 . 1 1 86 86 LYS CD C 13 28.779 0.30 . 1 . 991 . . 86 LYS CD . 19290 1 1090 . 1 1 86 86 LYS CE C 13 42.085 0.30 . 1 . 992 . . 86 LYS CE . 19290 1 1091 . 1 1 86 86 LYS N N 15 123.248 0.30 . 1 . 1003 . . 86 LYS N . 19290 1 1092 . 1 1 87 87 GLN H H 1 8.128 0.02 . 1 . 1008 . . 87 GLN H . 19290 1 1093 . 1 1 87 87 GLN HA H 1 4.274 0.02 . 1 . 1009 . . 87 GLN HA . 19290 1 1094 . 1 1 87 87 GLN HB2 H 1 2.068 0.02 . 2 . 1010 . . 87 GLN HB2 . 19290 1 1095 . 1 1 87 87 GLN HB3 H 1 1.931 0.02 . 2 . 1011 . . 87 GLN HB3 . 19290 1 1096 . 1 1 87 87 GLN HG2 H 1 2.277 0.02 . 1 . 1012 . . 87 GLN HG2 . 19290 1 1097 . 1 1 87 87 GLN HG3 H 1 2.277 0.02 . 1 . 1013 . . 87 GLN HG3 . 19290 1 1098 . 1 1 87 87 GLN HE21 H 1 7.744 0.02 . 1 . 1014 . . 87 GLN HE21 . 19290 1 1099 . 1 1 87 87 GLN HE22 H 1 7.057 0.02 . 1 . 1015 . . 87 GLN HE22 . 19290 1 1100 . 1 1 87 87 GLN C C 13 175.957 0.30 . 1 . 1004 . . 87 GLN C . 19290 1 1101 . 1 1 87 87 GLN CA C 13 55.875 0.30 . 1 . 1005 . . 87 GLN CA . 19290 1 1102 . 1 1 87 87 GLN CB C 13 29.362 0.30 . 1 . 1006 . . 87 GLN CB . 19290 1 1103 . 1 1 87 87 GLN CG C 13 33.724 0.30 . 1 . 1007 . . 87 GLN CG . 19290 1 1104 . 1 1 87 87 GLN N N 15 121.022 0.30 . 1 . 1016 . . 87 GLN N . 19290 1 1105 . 1 1 87 87 GLN NE2 N 15 111.797 0.30 . 1 . 1017 . . 87 GLN NE2 . 19290 1 1106 . 1 1 88 88 SER H H 1 8.252 0.02 . 1 . 1021 . . 88 SER H . 19290 1 1107 . 1 1 88 88 SER HA H 1 4.387 0.02 . 1 . 1022 . . 88 SER HA . 19290 1 1108 . 1 1 88 88 SER HB2 H 1 3.787 0.02 . 1 . 1023 . . 88 SER HB2 . 19290 1 1109 . 1 1 88 88 SER HB3 H 1 3.787 0.02 . 1 . 1024 . . 88 SER HB3 . 19290 1 1110 . 1 1 88 88 SER C C 13 174.166 0.30 . 1 . 1018 . . 88 SER C . 19290 1 1111 . 1 1 88 88 SER CA C 13 58.065 0.30 . 1 . 1019 . . 88 SER CA . 19290 1 1112 . 1 1 88 88 SER CB C 13 63.581 0.30 . 1 . 1020 . . 88 SER CB . 19290 1 1113 . 1 1 88 88 SER N N 15 116.994 0.30 . 1 . 1025 . . 88 SER N . 19290 1 1114 . 1 1 89 89 GLN H H 1 8.401 0.02 . 1 . 1030 . . 89 GLN H . 19290 1 1115 . 1 1 89 89 GLN HA H 1 4.334 0.02 . 1 . 1031 . . 89 GLN HA . 19290 1 1116 . 1 1 89 89 GLN HB2 H 1 2.070 0.02 . 2 . 1032 . . 89 GLN HB2 . 19290 1 1117 . 1 1 89 89 GLN HB3 H 1 1.909 0.02 . 2 . 1033 . . 89 GLN HB3 . 19290 1 1118 . 1 1 89 89 GLN HG2 H 1 2.291 0.02 . 1 . 1034 . . 89 GLN HG2 . 19290 1 1119 . 1 1 89 89 GLN HG3 H 1 2.291 0.02 . 1 . 1035 . . 89 GLN HG3 . 19290 1 1120 . 1 1 89 89 GLN HE21 H 1 7.509 0.02 . 1 . 1036 . . 89 GLN HE21 . 19290 1 1121 . 1 1 89 89 GLN HE22 H 1 6.813 0.02 . 1 . 1037 . . 89 GLN HE22 . 19290 1 1122 . 1 1 89 89 GLN C C 13 175.315 0.30 . 1 . 1026 . . 89 GLN C . 19290 1 1123 . 1 1 89 89 GLN CA C 13 55.473 0.30 . 1 . 1027 . . 89 GLN CA . 19290 1 1124 . 1 1 89 89 GLN CB C 13 29.587 0.30 . 1 . 1028 . . 89 GLN CB . 19290 1 1125 . 1 1 89 89 GLN CG C 13 33.713 0.30 . 1 . 1029 . . 89 GLN CG . 19290 1 1126 . 1 1 89 89 GLN N N 15 122.495 0.30 . 1 . 1038 . . 89 GLN N . 19290 1 1127 . 1 1 89 89 GLN NE2 N 15 112.714 0.30 . 1 . 1039 . . 89 GLN NE2 . 19290 1 1128 . 1 1 90 90 ASP H H 1 8.260 0.02 . 1 . 1043 . . 90 ASP H . 19290 1 1129 . 1 1 90 90 ASP HA H 1 4.543 0.02 . 1 . 1044 . . 90 ASP HA . 19290 1 1130 . 1 1 90 90 ASP HB2 H 1 2.587 0.02 . 2 . 1045 . . 90 ASP HB2 . 19290 1 1131 . 1 1 90 90 ASP HB3 H 1 2.412 0.02 . 2 . 1046 . . 90 ASP HB3 . 19290 1 1132 . 1 1 90 90 ASP C C 13 175.674 0.30 . 1 . 1040 . . 90 ASP C . 19290 1 1133 . 1 1 90 90 ASP CA C 13 54.035 0.30 . 1 . 1041 . . 90 ASP CA . 19290 1 1134 . 1 1 90 90 ASP CB C 13 41.536 0.30 . 1 . 1042 . . 90 ASP CB . 19290 1 1135 . 1 1 90 90 ASP N N 15 122.345 0.30 . 1 . 1047 . . 90 ASP N . 19290 1 1136 . 1 1 91 91 GLU H H 1 8.358 0.02 . 1 . 1051 . . 91 GLU H . 19290 1 1137 . 1 1 91 91 GLU HA H 1 4.444 0.02 . 1 . 1052 . . 91 GLU HA . 19290 1 1138 . 1 1 91 91 GLU HB2 H 1 1.886 0.02 . 2 . 1053 . . 91 GLU HB2 . 19290 1 1139 . 1 1 91 91 GLU HB3 H 1 1.804 0.02 . 2 . 1054 . . 91 GLU HB3 . 19290 1 1140 . 1 1 91 91 GLU HG2 H 1 2.175 0.02 . 1 . 1055 . . 91 GLU HG2 . 19290 1 1141 . 1 1 91 91 GLU HG3 H 1 2.175 0.02 . 1 . 1056 . . 91 GLU HG3 . 19290 1 1142 . 1 1 91 91 GLU CA C 13 54.270 0.30 . 1 . 1048 . . 91 GLU CA . 19290 1 1143 . 1 1 91 91 GLU CB C 13 29.669 0.30 . 1 . 1049 . . 91 GLU CB . 19290 1 1144 . 1 1 91 91 GLU CG C 13 35.821 0.30 . 1 . 1050 . . 91 GLU CG . 19290 1 1145 . 1 1 91 91 GLU N N 15 122.490 0.30 . 1 . 1057 . . 91 GLU N . 19290 1 1146 . 1 1 92 92 PRO HA H 1 4.489 0.02 . 1 . 1063 . . 92 PRO HA . 19290 1 1147 . 1 1 92 92 PRO HB2 H 1 2.182 0.02 . 2 . 1064 . . 92 PRO HB2 . 19290 1 1148 . 1 1 92 92 PRO HB3 H 1 1.810 0.02 . 2 . 1065 . . 92 PRO HB3 . 19290 1 1149 . 1 1 92 92 PRO HG2 H 1 1.983 0.02 . 2 . 1066 . . 92 PRO HG2 . 19290 1 1150 . 1 1 92 92 PRO HG3 H 1 1.909 0.02 . 2 . 1067 . . 92 PRO HG3 . 19290 1 1151 . 1 1 92 92 PRO HD2 H 1 3.741 0.02 . 2 . 1068 . . 92 PRO HD2 . 19290 1 1152 . 1 1 92 92 PRO HD3 H 1 3.579 0.02 . 2 . 1069 . . 92 PRO HD3 . 19290 1 1153 . 1 1 92 92 PRO C C 13 176.614 0.30 . 1 . 1058 . . 92 PRO C . 19290 1 1154 . 1 1 92 92 PRO CA C 13 62.797 0.30 . 1 . 1059 . . 92 PRO CA . 19290 1 1155 . 1 1 92 92 PRO CB C 13 32.184 0.30 . 1 . 1060 . . 92 PRO CB . 19290 1 1156 . 1 1 92 92 PRO CG C 13 27.403 0.30 . 1 . 1061 . . 92 PRO CG . 19290 1 1157 . 1 1 92 92 PRO CD C 13 50.587 0.30 . 1 . 1062 . . 92 PRO CD . 19290 1 1158 . 1 1 93 93 LEU H H 1 8.352 0.02 . 1 . 1076 . . 93 LEU H . 19290 1 1159 . 1 1 93 93 LEU HA H 1 4.317 0.02 . 1 . 1077 . . 93 LEU HA . 19290 1 1160 . 1 1 93 93 LEU HB2 H 1 1.530 0.02 . 2 . 1078 . . 93 LEU HB2 . 19290 1 1161 . 1 1 93 93 LEU HB3 H 1 1.454 0.02 . 2 . 1079 . . 93 LEU HB3 . 19290 1 1162 . 1 1 93 93 LEU HG H 1 1.532 0.02 . 1 . 1080 . . 93 LEU HG . 19290 1 1163 . 1 1 93 93 LEU HD11 H 1 0.842 0.02 . 1 . 1081 . . 93 LEU HD11 . 19290 1 1164 . 1 1 93 93 LEU HD12 H 1 0.842 0.02 . 1 . 1081 . . 93 LEU HD12 . 19290 1 1165 . 1 1 93 93 LEU HD13 H 1 0.842 0.02 . 1 . 1081 . . 93 LEU HD13 . 19290 1 1166 . 1 1 93 93 LEU HD21 H 1 0.783 0.02 . 1 . 1082 . . 93 LEU HD21 . 19290 1 1167 . 1 1 93 93 LEU HD22 H 1 0.783 0.02 . 1 . 1082 . . 93 LEU HD22 . 19290 1 1168 . 1 1 93 93 LEU HD23 H 1 0.783 0.02 . 1 . 1082 . . 93 LEU HD23 . 19290 1 1169 . 1 1 93 93 LEU C C 13 177.002 0.30 . 1 . 1070 . . 93 LEU C . 19290 1 1170 . 1 1 93 93 LEU CA C 13 54.260 0.30 . 1 . 1071 . . 93 LEU CA . 19290 1 1171 . 1 1 93 93 LEU CB C 13 42.796 0.30 . 1 . 1072 . . 93 LEU CB . 19290 1 1172 . 1 1 93 93 LEU CG C 13 26.913 0.30 . 1 . 1073 . . 93 LEU CG . 19290 1 1173 . 1 1 93 93 LEU CD1 C 13 24.865 0.30 . 1 . 1074 . . 93 LEU CD1 . 19290 1 1174 . 1 1 93 93 LEU CD2 C 13 23.653 0.30 . 1 . 1075 . . 93 LEU CD2 . 19290 1 1175 . 1 1 93 93 LEU N N 15 123.907 0.30 . 1 . 1083 . . 93 LEU N . 19290 1 1176 . 1 1 94 94 ARG H H 1 8.449 0.02 . 1 . 1089 . . 94 ARG H . 19290 1 1177 . 1 1 94 94 ARG HA H 1 4.178 0.02 . 1 . 1090 . . 94 ARG HA . 19290 1 1178 . 1 1 94 94 ARG HB2 H 1 1.730 0.02 . 2 . 1091 . . 94 ARG HB2 . 19290 1 1179 . 1 1 94 94 ARG HB3 H 1 1.622 0.02 . 2 . 1092 . . 94 ARG HB3 . 19290 1 1180 . 1 1 94 94 ARG HG2 H 1 1.495 0.02 . 2 . 1093 . . 94 ARG HG2 . 19290 1 1181 . 1 1 94 94 ARG HG3 H 1 1.402 0.02 . 2 . 1094 . . 94 ARG HG3 . 19290 1 1182 . 1 1 94 94 ARG HD2 H 1 3.055 0.02 . 1 . 1095 . . 94 ARG HD2 . 19290 1 1183 . 1 1 94 94 ARG HD3 H 1 3.055 0.02 . 1 . 1096 . . 94 ARG HD3 . 19290 1 1184 . 1 1 94 94 ARG HE H 1 7.171 0.02 . 1 . 1097 . . 94 ARG HE . 19290 1 1185 . 1 1 94 94 ARG C C 13 175.211 0.30 . 1 . 1084 . . 94 ARG C . 19290 1 1186 . 1 1 94 94 ARG CA C 13 56.254 0.30 . 1 . 1085 . . 94 ARG CA . 19290 1 1187 . 1 1 94 94 ARG CB C 13 29.299 0.30 . 1 . 1086 . . 94 ARG CB . 19290 1 1188 . 1 1 94 94 ARG CG C 13 27.156 0.30 . 1 . 1087 . . 94 ARG CG . 19290 1 1189 . 1 1 94 94 ARG CD C 13 43.253 0.30 . 1 . 1088 . . 94 ARG CD . 19290 1 1190 . 1 1 94 94 ARG N N 15 123.176 0.30 . 1 . 1098 . . 94 ARG N . 19290 1 1191 . 1 1 94 94 ARG NE N 15 84.626 0.30 . 1 . 1099 . . 94 ARG NE . 19290 1 1192 . 1 1 95 95 SER H H 1 7.808 0.02 . 1 . 1103 . . 95 SER H . 19290 1 1193 . 1 1 95 95 SER HA H 1 4.622 0.02 . 1 . 1104 . . 95 SER HA . 19290 1 1194 . 1 1 95 95 SER HB2 H 1 3.906 0.02 . 2 . 1105 . . 95 SER HB2 . 19290 1 1195 . 1 1 95 95 SER HB3 H 1 3.647 0.02 . 2 . 1106 . . 95 SER HB3 . 19290 1 1196 . 1 1 95 95 SER C C 13 173.420 0.30 . 1 . 1100 . . 95 SER C . 19290 1 1197 . 1 1 95 95 SER CA C 13 56.933 0.30 . 1 . 1101 . . 95 SER CA . 19290 1 1198 . 1 1 95 95 SER CB C 13 64.775 0.30 . 1 . 1102 . . 95 SER CB . 19290 1 1199 . 1 1 95 95 SER N N 15 118.666 0.30 . 1 . 1107 . . 95 SER N . 19290 1 1200 . 1 1 96 96 ARG H H 1 8.407 0.02 . 1 . 1113 . . 96 ARG H . 19290 1 1201 . 1 1 96 96 ARG HA H 1 4.095 0.02 . 1 . 1114 . . 96 ARG HA . 19290 1 1202 . 1 1 96 96 ARG HB2 H 1 2.379 0.02 . 2 . 1115 . . 96 ARG HB2 . 19290 1 1203 . 1 1 96 96 ARG HB3 H 1 1.713 0.02 . 2 . 1116 . . 96 ARG HB3 . 19290 1 1204 . 1 1 96 96 ARG HG2 H 1 1.705 0.02 . 2 . 1117 . . 96 ARG HG2 . 19290 1 1205 . 1 1 96 96 ARG HG3 H 1 1.313 0.02 . 2 . 1118 . . 96 ARG HG3 . 19290 1 1206 . 1 1 96 96 ARG HD2 H 1 3.168 0.02 . 1 . 1119 . . 96 ARG HD2 . 19290 1 1207 . 1 1 96 96 ARG HD3 H 1 3.168 0.02 . 1 . 1120 . . 96 ARG HD3 . 19290 1 1208 . 1 1 96 96 ARG C C 13 173.808 0.30 . 1 . 1108 . . 96 ARG C . 19290 1 1209 . 1 1 96 96 ARG CA C 13 57.783 0.30 . 1 . 1109 . . 96 ARG CA . 19290 1 1210 . 1 1 96 96 ARG CB C 13 30.232 0.30 . 1 . 1110 . . 96 ARG CB . 19290 1 1211 . 1 1 96 96 ARG CG C 13 28.687 0.30 . 1 . 1111 . . 96 ARG CG . 19290 1 1212 . 1 1 96 96 ARG CD C 13 43.348 0.30 . 1 . 1112 . . 96 ARG CD . 19290 1 1213 . 1 1 96 96 ARG N N 15 120.677 0.30 . 1 . 1121 . . 96 ARG N . 19290 1 1214 . 1 1 97 97 LYS H H 1 8.081 0.02 . 1 . 1128 . . 97 LYS H . 19290 1 1215 . 1 1 97 97 LYS HA H 1 5.375 0.02 . 1 . 1129 . . 97 LYS HA . 19290 1 1216 . 1 1 97 97 LYS HB2 H 1 1.491 0.02 . 1 . 1130 . . 97 LYS HB2 . 19290 1 1217 . 1 1 97 97 LYS HB3 H 1 1.491 0.02 . 1 . 1131 . . 97 LYS HB3 . 19290 1 1218 . 1 1 97 97 LYS HG2 H 1 1.181 0.02 . 1 . 1132 . . 97 LYS HG2 . 19290 1 1219 . 1 1 97 97 LYS HG3 H 1 1.181 0.02 . 1 . 1133 . . 97 LYS HG3 . 19290 1 1220 . 1 1 97 97 LYS HD2 H 1 1.254 0.02 . 2 . 1134 . . 97 LYS HD2 . 19290 1 1221 . 1 1 97 97 LYS HD3 H 1 0.806 0.02 . 2 . 1135 . . 97 LYS HD3 . 19290 1 1222 . 1 1 97 97 LYS HE2 H 1 2.739 0.02 . 1 . 1136 . . 97 LYS HE2 . 19290 1 1223 . 1 1 97 97 LYS HE3 H 1 2.739 0.02 . 1 . 1137 . . 97 LYS HE3 . 19290 1 1224 . 1 1 97 97 LYS C C 13 175.137 0.30 . 1 . 1122 . . 97 LYS C . 19290 1 1225 . 1 1 97 97 LYS CA C 13 54.593 0.30 . 1 . 1123 . . 97 LYS CA . 19290 1 1226 . 1 1 97 97 LYS CB C 13 35.836 0.30 . 1 . 1124 . . 97 LYS CB . 19290 1 1227 . 1 1 97 97 LYS CG C 13 24.737 0.30 . 1 . 1125 . . 97 LYS CG . 19290 1 1228 . 1 1 97 97 LYS CD C 13 29.980 0.30 . 1 . 1126 . . 97 LYS CD . 19290 1 1229 . 1 1 97 97 LYS CE C 13 41.083 0.30 . 1 . 1127 . . 97 LYS CE . 19290 1 1230 . 1 1 97 97 LYS N N 15 120.714 0.30 . 1 . 1138 . . 97 LYS N . 19290 1 1231 . 1 1 98 98 VAL H H 1 8.884 0.02 . 1 . 1144 . . 98 VAL H . 19290 1 1232 . 1 1 98 98 VAL HA H 1 4.850 0.02 . 1 . 1145 . . 98 VAL HA . 19290 1 1233 . 1 1 98 98 VAL HB H 1 2.301 0.02 . 1 . 1146 . . 98 VAL HB . 19290 1 1234 . 1 1 98 98 VAL HG11 H 1 0.755 0.02 . 1 . 1147 . . 98 VAL HG11 . 19290 1 1235 . 1 1 98 98 VAL HG12 H 1 0.755 0.02 . 1 . 1147 . . 98 VAL HG12 . 19290 1 1236 . 1 1 98 98 VAL HG13 H 1 0.755 0.02 . 1 . 1147 . . 98 VAL HG13 . 19290 1 1237 . 1 1 98 98 VAL HG21 H 1 0.603 0.02 . 1 . 1148 . . 98 VAL HG21 . 19290 1 1238 . 1 1 98 98 VAL HG22 H 1 0.603 0.02 . 1 . 1148 . . 98 VAL HG22 . 19290 1 1239 . 1 1 98 98 VAL HG23 H 1 0.603 0.02 . 1 . 1148 . . 98 VAL HG23 . 19290 1 1240 . 1 1 98 98 VAL C C 13 175.957 0.30 . 1 . 1139 . . 98 VAL C . 19290 1 1241 . 1 1 98 98 VAL CA C 13 58.864 0.30 . 1 . 1140 . . 98 VAL CA . 19290 1 1242 . 1 1 98 98 VAL CB C 13 33.947 0.30 . 1 . 1141 . . 98 VAL CB . 19290 1 1243 . 1 1 98 98 VAL CG1 C 13 22.602 0.30 . 1 . 1142 . . 98 VAL CG1 . 19290 1 1244 . 1 1 98 98 VAL CG2 C 13 18.622 0.30 . 1 . 1143 . . 98 VAL CG2 . 19290 1 1245 . 1 1 98 98 VAL N N 15 114.926 0.30 . 1 . 1149 . . 98 VAL N . 19290 1 1246 . 1 1 99 99 PHE H H 1 8.734 0.02 . 1 . 1158 . . 99 PHE H . 19290 1 1247 . 1 1 99 99 PHE HA H 1 4.333 0.02 . 1 . 1159 . . 99 PHE HA . 19290 1 1248 . 1 1 99 99 PHE HB2 H 1 2.469 0.02 . 1 . 1160 . . 99 PHE HB2 . 19290 1 1249 . 1 1 99 99 PHE HB3 H 1 2.469 0.02 . 1 . 1161 . . 99 PHE HB3 . 19290 1 1250 . 1 1 99 99 PHE HD1 H 1 6.302 0.02 . 3 . 1162 . . 99 PHE HD1 . 19290 1 1251 . 1 1 99 99 PHE HD2 H 1 6.302 0.02 . 3 . 1163 . . 99 PHE HD2 . 19290 1 1252 . 1 1 99 99 PHE HE1 H 1 6.617 0.02 . 3 . 1164 . . 99 PHE HE1 . 19290 1 1253 . 1 1 99 99 PHE HE2 H 1 6.617 0.02 . 3 . 1165 . . 99 PHE HE2 . 19290 1 1254 . 1 1 99 99 PHE HZ H 1 6.347 0.02 . 1 . 1166 . . 99 PHE HZ . 19290 1 1255 . 1 1 99 99 PHE C C 13 172.673 0.30 . 1 . 1150 . . 99 PHE C . 19290 1 1256 . 1 1 99 99 PHE CA C 13 56.876 0.30 . 1 . 1151 . . 99 PHE CA . 19290 1 1257 . 1 1 99 99 PHE CB C 13 41.171 0.30 . 1 . 1152 . . 99 PHE CB . 19290 1 1258 . 1 1 99 99 PHE CD1 C 13 130.757 0.30 . 3 . 1153 . . 99 PHE CD1 . 19290 1 1259 . 1 1 99 99 PHE CD2 C 13 130.757 0.30 . 3 . 1154 . . 99 PHE CD2 . 19290 1 1260 . 1 1 99 99 PHE CE1 C 13 128.988 0.30 . 3 . 1155 . . 99 PHE CE1 . 19290 1 1261 . 1 1 99 99 PHE CE2 C 13 128.988 0.30 . 3 . 1156 . . 99 PHE CE2 . 19290 1 1262 . 1 1 99 99 PHE CZ C 13 132.043 0.30 . 1 . 1157 . . 99 PHE CZ . 19290 1 1263 . 1 1 99 99 PHE N N 15 123.973 0.30 . 1 . 1167 . . 99 PHE N . 19290 1 1264 . 1 1 100 100 VAL H H 1 8.015 0.02 . 1 . 1173 . . 100 VAL H . 19290 1 1265 . 1 1 100 100 VAL HA H 1 4.233 0.02 . 1 . 1174 . . 100 VAL HA . 19290 1 1266 . 1 1 100 100 VAL HB H 1 1.500 0.02 . 1 . 1175 . . 100 VAL HB . 19290 1 1267 . 1 1 100 100 VAL HG11 H 1 0.542 0.02 . 1 . 1176 . . 100 VAL HG11 . 19290 1 1268 . 1 1 100 100 VAL HG12 H 1 0.542 0.02 . 1 . 1176 . . 100 VAL HG12 . 19290 1 1269 . 1 1 100 100 VAL HG13 H 1 0.542 0.02 . 1 . 1176 . . 100 VAL HG13 . 19290 1 1270 . 1 1 100 100 VAL HG21 H 1 0.425 0.02 . 1 . 1177 . . 100 VAL HG21 . 19290 1 1271 . 1 1 100 100 VAL HG22 H 1 0.425 0.02 . 1 . 1177 . . 100 VAL HG22 . 19290 1 1272 . 1 1 100 100 VAL HG23 H 1 0.425 0.02 . 1 . 1177 . . 100 VAL HG23 . 19290 1 1273 . 1 1 100 100 VAL C C 13 174.062 0.30 . 1 . 1168 . . 100 VAL C . 19290 1 1274 . 1 1 100 100 VAL CA C 13 60.050 0.30 . 1 . 1169 . . 100 VAL CA . 19290 1 1275 . 1 1 100 100 VAL CB C 13 31.874 0.30 . 1 . 1170 . . 100 VAL CB . 19290 1 1276 . 1 1 100 100 VAL CG1 C 13 21.135 0.30 . 1 . 1171 . . 100 VAL CG1 . 19290 1 1277 . 1 1 100 100 VAL CG2 C 13 20.605 0.30 . 1 . 1172 . . 100 VAL CG2 . 19290 1 1278 . 1 1 100 100 VAL N N 15 126.941 0.30 . 1 . 1178 . . 100 VAL N . 19290 1 1279 . 1 1 101 101 GLY H H 1 9.064 0.02 . 1 . 1181 . . 101 GLY H . 19290 1 1280 . 1 1 101 101 GLY HA2 H 1 4.180 0.02 . 2 . 1182 . . 101 GLY HA2 . 19290 1 1281 . 1 1 101 101 GLY HA3 H 1 3.639 0.02 . 2 . 1183 . . 101 GLY HA3 . 19290 1 1282 . 1 1 101 101 GLY C C 13 173.509 0.30 . 1 . 1179 . . 101 GLY C . 19290 1 1283 . 1 1 101 101 GLY CA C 13 43.601 0.30 . 1 . 1180 . . 101 GLY CA . 19290 1 1284 . 1 1 101 101 GLY N N 15 111.947 0.30 . 1 . 1184 . . 101 GLY N . 19290 1 1285 . 1 1 102 102 ARG H H 1 8.621 0.02 . 1 . 1189 . . 102 ARG H . 19290 1 1286 . 1 1 102 102 ARG HA H 1 3.838 0.02 . 1 . 1190 . . 102 ARG HA . 19290 1 1287 . 1 1 102 102 ARG HB2 H 1 1.906 0.02 . 2 . 1191 . . 102 ARG HB2 . 19290 1 1288 . 1 1 102 102 ARG HB3 H 1 1.815 0.02 . 2 . 1192 . . 102 ARG HB3 . 19290 1 1289 . 1 1 102 102 ARG HG2 H 1 1.466 0.02 . 2 . 1193 . . 102 ARG HG2 . 19290 1 1290 . 1 1 102 102 ARG HG3 H 1 1.216 0.02 . 2 . 1194 . . 102 ARG HG3 . 19290 1 1291 . 1 1 102 102 ARG HD2 H 1 3.201 0.02 . 2 . 1195 . . 102 ARG HD2 . 19290 1 1292 . 1 1 102 102 ARG HD3 H 1 3.078 0.02 . 2 . 1196 . . 102 ARG HD3 . 19290 1 1293 . 1 1 102 102 ARG HE H 1 6.702 0.02 . 1 . 1197 . . 102 ARG HE . 19290 1 1294 . 1 1 102 102 ARG CA C 13 57.326 0.30 . 1 . 1185 . . 102 ARG CA . 19290 1 1295 . 1 1 102 102 ARG CB C 13 27.017 0.30 . 1 . 1186 . . 102 ARG CB . 19290 1 1296 . 1 1 102 102 ARG CG C 13 24.924 0.30 . 1 . 1187 . . 102 ARG CG . 19290 1 1297 . 1 1 102 102 ARG CD C 13 42.150 0.30 . 1 . 1188 . . 102 ARG CD . 19290 1 1298 . 1 1 102 102 ARG N N 15 110.467 0.30 . 1 . 1198 . . 102 ARG N . 19290 1 1299 . 1 1 102 102 ARG NE N 15 83.737 0.30 . 1 . 1199 . . 102 ARG NE . 19290 1 1300 . 1 1 103 103 CYS HA H 1 3.896 0.02 . 1 . 1203 . . 103 CYS HA . 19290 1 1301 . 1 1 103 103 CYS HB2 H 1 2.587 0.02 . 2 . 1204 . . 103 CYS HB2 . 19290 1 1302 . 1 1 103 103 CYS HB3 H 1 1.911 0.02 . 2 . 1205 . . 103 CYS HB3 . 19290 1 1303 . 1 1 103 103 CYS C C 13 175.092 0.30 . 1 . 1200 . . 103 CYS C . 19290 1 1304 . 1 1 103 103 CYS CA C 13 60.683 0.30 . 1 . 1201 . . 103 CYS CA . 19290 1 1305 . 1 1 103 103 CYS CB C 13 28.430 0.30 . 1 . 1202 . . 103 CYS CB . 19290 1 1306 . 1 1 104 104 THR H H 1 7.615 0.02 . 1 . 1210 . . 104 THR H . 19290 1 1307 . 1 1 104 104 THR HA H 1 4.678 0.02 . 1 . 1211 . . 104 THR HA . 19290 1 1308 . 1 1 104 104 THR HB H 1 4.311 0.02 . 1 . 1212 . . 104 THR HB . 19290 1 1309 . 1 1 104 104 THR HG21 H 1 1.165 0.02 . 1 . 1213 . . 104 THR HG21 . 19290 1 1310 . 1 1 104 104 THR HG22 H 1 1.165 0.02 . 1 . 1213 . . 104 THR HG22 . 19290 1 1311 . 1 1 104 104 THR HG23 H 1 1.165 0.02 . 1 . 1213 . . 104 THR HG23 . 19290 1 1312 . 1 1 104 104 THR C C 13 177.644 0.30 . 1 . 1206 . . 104 THR C . 19290 1 1313 . 1 1 104 104 THR CA C 13 60.131 0.30 . 1 . 1207 . . 104 THR CA . 19290 1 1314 . 1 1 104 104 THR CB C 13 70.483 0.30 . 1 . 1208 . . 104 THR CB . 19290 1 1315 . 1 1 104 104 THR CG2 C 13 23.636 0.30 . 1 . 1209 . . 104 THR CG2 . 19290 1 1316 . 1 1 104 104 THR N N 15 109.275 0.30 . 1 . 1214 . . 104 THR N . 19290 1 1317 . 1 1 105 105 GLU H H 1 8.879 0.02 . 1 . 1219 . . 105 GLU H . 19290 1 1318 . 1 1 105 105 GLU HA H 1 2.970 0.02 . 1 . 1220 . . 105 GLU HA . 19290 1 1319 . 1 1 105 105 GLU HB2 H 1 1.259 0.02 . 2 . 1221 . . 105 GLU HB2 . 19290 1 1320 . 1 1 105 105 GLU HB3 H 1 0.930 0.02 . 2 . 1222 . . 105 GLU HB3 . 19290 1 1321 . 1 1 105 105 GLU HG2 H 1 1.672 0.02 . 2 . 1223 . . 105 GLU HG2 . 19290 1 1322 . 1 1 105 105 GLU HG3 H 1 1.391 0.02 . 2 . 1224 . . 105 GLU HG3 . 19290 1 1323 . 1 1 105 105 GLU C C 13 175.330 0.30 . 1 . 1215 . . 105 GLU C . 19290 1 1324 . 1 1 105 105 GLU CA C 13 58.800 0.30 . 1 . 1216 . . 105 GLU CA . 19290 1 1325 . 1 1 105 105 GLU CB C 13 28.886 0.30 . 1 . 1217 . . 105 GLU CB . 19290 1 1326 . 1 1 105 105 GLU CG C 13 35.720 0.30 . 1 . 1218 . . 105 GLU CG . 19290 1 1327 . 1 1 105 105 GLU N N 15 123.322 0.30 . 1 . 1225 . . 105 GLU N . 19290 1 1328 . 1 1 106 106 ASP H H 1 7.971 0.02 . 1 . 1229 . . 106 ASP H . 19290 1 1329 . 1 1 106 106 ASP HA H 1 4.236 0.02 . 1 . 1230 . . 106 ASP HA . 19290 1 1330 . 1 1 106 106 ASP HB2 H 1 2.498 0.02 . 2 . 1231 . . 106 ASP HB2 . 19290 1 1331 . 1 1 106 106 ASP HB3 H 1 2.405 0.02 . 2 . 1232 . . 106 ASP HB3 . 19290 1 1332 . 1 1 106 106 ASP C C 13 175.674 0.30 . 1 . 1226 . . 106 ASP C . 19290 1 1333 . 1 1 106 106 ASP CA C 13 53.350 0.30 . 1 . 1227 . . 106 ASP CA . 19290 1 1334 . 1 1 106 106 ASP CB C 13 40.773 0.30 . 1 . 1228 . . 106 ASP CB . 19290 1 1335 . 1 1 106 106 ASP N N 15 113.284 0.30 . 1 . 1233 . . 106 ASP N . 19290 1 1336 . 1 1 107 107 MET H H 1 6.987 0.02 . 1 . 1239 . . 107 MET H . 19290 1 1337 . 1 1 107 107 MET HA H 1 4.322 0.02 . 1 . 1240 . . 107 MET HA . 19290 1 1338 . 1 1 107 107 MET HB2 H 1 1.869 0.02 . 2 . 1241 . . 107 MET HB2 . 19290 1 1339 . 1 1 107 107 MET HB3 H 1 1.510 0.02 . 2 . 1242 . . 107 MET HB3 . 19290 1 1340 . 1 1 107 107 MET HG2 H 1 2.718 0.02 . 2 . 1243 . . 107 MET HG2 . 19290 1 1341 . 1 1 107 107 MET HG3 H 1 1.966 0.02 . 2 . 1244 . . 107 MET HG3 . 19290 1 1342 . 1 1 107 107 MET HE1 H 1 1.895 0.02 . 1 . 1245 . . 107 MET HE1 . 19290 1 1343 . 1 1 107 107 MET HE2 H 1 1.895 0.02 . 1 . 1245 . . 107 MET HE2 . 19290 1 1344 . 1 1 107 107 MET HE3 H 1 1.895 0.02 . 1 . 1245 . . 107 MET HE3 . 19290 1 1345 . 1 1 107 107 MET C C 13 175.510 0.30 . 1 . 1234 . . 107 MET C . 19290 1 1346 . 1 1 107 107 MET CA C 13 56.409 0.30 . 1 . 1235 . . 107 MET CA . 19290 1 1347 . 1 1 107 107 MET CB C 13 31.919 0.30 . 1 . 1236 . . 107 MET CB . 19290 1 1348 . 1 1 107 107 MET CG C 13 33.268 0.30 . 1 . 1237 . . 107 MET CG . 19290 1 1349 . 1 1 107 107 MET CE C 13 17.918 0.30 . 1 . 1238 . . 107 MET CE . 19290 1 1350 . 1 1 107 107 MET N N 15 119.224 0.30 . 1 . 1246 . . 107 MET N . 19290 1 1351 . 1 1 108 108 THR H H 1 8.041 0.02 . 1 . 1251 . . 108 THR H . 19290 1 1352 . 1 1 108 108 THR HA H 1 4.414 0.02 . 1 . 1252 . . 108 THR HA . 19290 1 1353 . 1 1 108 108 THR HB H 1 4.595 0.02 . 1 . 1253 . . 108 THR HB . 19290 1 1354 . 1 1 108 108 THR HG21 H 1 1.119 0.02 . 1 . 1254 . . 108 THR HG21 . 19290 1 1355 . 1 1 108 108 THR HG22 H 1 1.119 0.02 . 1 . 1254 . . 108 THR HG22 . 19290 1 1356 . 1 1 108 108 THR HG23 H 1 1.119 0.02 . 1 . 1254 . . 108 THR HG23 . 19290 1 1357 . 1 1 108 108 THR C C 13 174.957 0.30 . 1 . 1247 . . 108 THR C . 19290 1 1358 . 1 1 108 108 THR CA C 13 59.456 0.30 . 1 . 1248 . . 108 THR CA . 19290 1 1359 . 1 1 108 108 THR CB C 13 71.625 0.30 . 1 . 1249 . . 108 THR CB . 19290 1 1360 . 1 1 108 108 THR CG2 C 13 21.523 0.30 . 1 . 1250 . . 108 THR CG2 . 19290 1 1361 . 1 1 108 108 THR N N 15 114.332 0.30 . 1 . 1255 . . 108 THR N . 19290 1 1362 . 1 1 109 109 GLU H H 1 9.416 0.02 . 1 . 1260 . . 109 GLU H . 19290 1 1363 . 1 1 109 109 GLU HA H 1 3.596 0.02 . 1 . 1261 . . 109 GLU HA . 19290 1 1364 . 1 1 109 109 GLU HB2 H 1 2.022 0.02 . 2 . 1262 . . 109 GLU HB2 . 19290 1 1365 . 1 1 109 109 GLU HB3 H 1 1.837 0.02 . 2 . 1263 . . 109 GLU HB3 . 19290 1 1366 . 1 1 109 109 GLU HG2 H 1 2.238 0.02 . 2 . 1264 . . 109 GLU HG2 . 19290 1 1367 . 1 1 109 109 GLU HG3 H 1 2.106 0.02 . 2 . 1265 . . 109 GLU HG3 . 19290 1 1368 . 1 1 109 109 GLU C C 13 178.480 0.30 . 1 . 1256 . . 109 GLU C . 19290 1 1369 . 1 1 109 109 GLU CA C 13 60.779 0.30 . 1 . 1257 . . 109 GLU CA . 19290 1 1370 . 1 1 109 109 GLU CB C 13 28.952 0.30 . 1 . 1258 . . 109 GLU CB . 19290 1 1371 . 1 1 109 109 GLU CG C 13 37.037 0.30 . 1 . 1259 . . 109 GLU CG . 19290 1 1372 . 1 1 109 109 GLU N N 15 121.162 0.30 . 1 . 1266 . . 109 GLU N . 19290 1 1373 . 1 1 110 110 ASP H H 1 8.283 0.02 . 1 . 1270 . . 110 ASP H . 19290 1 1374 . 1 1 110 110 ASP HA H 1 4.329 0.02 . 1 . 1271 . . 110 ASP HA . 19290 1 1375 . 1 1 110 110 ASP HB2 H 1 2.587 0.02 . 2 . 1272 . . 110 ASP HB2 . 19290 1 1376 . 1 1 110 110 ASP HB3 H 1 2.453 0.02 . 2 . 1273 . . 110 ASP HB3 . 19290 1 1377 . 1 1 110 110 ASP C C 13 178.749 0.30 . 1 . 1267 . . 110 ASP C . 19290 1 1378 . 1 1 110 110 ASP CA C 13 57.243 0.30 . 1 . 1268 . . 110 ASP CA . 19290 1 1379 . 1 1 110 110 ASP CB C 13 40.413 0.30 . 1 . 1269 . . 110 ASP CB . 19290 1 1380 . 1 1 110 110 ASP N N 15 117.001 0.30 . 1 . 1274 . . 110 ASP N . 19290 1 1381 . 1 1 111 111 GLU H H 1 7.700 0.02 . 1 . 1279 . . 111 GLU H . 19290 1 1382 . 1 1 111 111 GLU HA H 1 3.989 0.02 . 1 . 1280 . . 111 GLU HA . 19290 1 1383 . 1 1 111 111 GLU HB2 H 1 2.222 0.02 . 2 . 1281 . . 111 GLU HB2 . 19290 1 1384 . 1 1 111 111 GLU HB3 H 1 1.710 0.02 . 2 . 1282 . . 111 GLU HB3 . 19290 1 1385 . 1 1 111 111 GLU HG2 H 1 2.272 0.02 . 2 . 1283 . . 111 GLU HG2 . 19290 1 1386 . 1 1 111 111 GLU HG3 H 1 2.139 0.02 . 2 . 1284 . . 111 GLU HG3 . 19290 1 1387 . 1 1 111 111 GLU C C 13 180.644 0.30 . 1 . 1275 . . 111 GLU C . 19290 1 1388 . 1 1 111 111 GLU CA C 13 58.874 0.30 . 1 . 1276 . . 111 GLU CA . 19290 1 1389 . 1 1 111 111 GLU CB C 13 29.496 0.30 . 1 . 1277 . . 111 GLU CB . 19290 1 1390 . 1 1 111 111 GLU CG C 13 36.770 0.30 . 1 . 1278 . . 111 GLU CG . 19290 1 1391 . 1 1 111 111 GLU N N 15 120.562 0.30 . 1 . 1285 . . 111 GLU N . 19290 1 1392 . 1 1 112 112 LEU H H 1 8.179 0.02 . 1 . 1292 . . 112 LEU H . 19290 1 1393 . 1 1 112 112 LEU HA H 1 4.141 0.02 . 1 . 1293 . . 112 LEU HA . 19290 1 1394 . 1 1 112 112 LEU HB2 H 1 1.952 0.02 . 2 . 1294 . . 112 LEU HB2 . 19290 1 1395 . 1 1 112 112 LEU HB3 H 1 1.337 0.02 . 2 . 1295 . . 112 LEU HB3 . 19290 1 1396 . 1 1 112 112 LEU HG H 1 1.727 0.02 . 1 . 1296 . . 112 LEU HG . 19290 1 1397 . 1 1 112 112 LEU HD11 H 1 0.576 0.02 . 1 . 1297 . . 112 LEU HD11 . 19290 1 1398 . 1 1 112 112 LEU HD12 H 1 0.576 0.02 . 1 . 1297 . . 112 LEU HD12 . 19290 1 1399 . 1 1 112 112 LEU HD13 H 1 0.576 0.02 . 1 . 1297 . . 112 LEU HD13 . 19290 1 1400 . 1 1 112 112 LEU HD21 H 1 0.728 0.02 . 1 . 1298 . . 112 LEU HD21 . 19290 1 1401 . 1 1 112 112 LEU HD22 H 1 0.728 0.02 . 1 . 1298 . . 112 LEU HD22 . 19290 1 1402 . 1 1 112 112 LEU HD23 H 1 0.728 0.02 . 1 . 1298 . . 112 LEU HD23 . 19290 1 1403 . 1 1 112 112 LEU C C 13 178.659 0.30 . 1 . 1286 . . 112 LEU C . 19290 1 1404 . 1 1 112 112 LEU CA C 13 58.527 0.30 . 1 . 1287 . . 112 LEU CA . 19290 1 1405 . 1 1 112 112 LEU CB C 13 41.714 0.30 . 1 . 1288 . . 112 LEU CB . 19290 1 1406 . 1 1 112 112 LEU CG C 13 28.294 0.30 . 1 . 1289 . . 112 LEU CG . 19290 1 1407 . 1 1 112 112 LEU CD1 C 13 25.344 0.30 . 1 . 1290 . . 112 LEU CD1 . 19290 1 1408 . 1 1 112 112 LEU CD2 C 13 23.225 0.30 . 1 . 1291 . . 112 LEU CD2 . 19290 1 1409 . 1 1 112 112 LEU N N 15 119.831 0.30 . 1 . 1299 . . 112 LEU N . 19290 1 1410 . 1 1 113 113 ARG H H 1 8.888 0.02 . 1 . 1305 . . 113 ARG H . 19290 1 1411 . 1 1 113 113 ARG HA H 1 3.685 0.02 . 1 . 1306 . . 113 ARG HA . 19290 1 1412 . 1 1 113 113 ARG HB2 H 1 1.955 0.02 . 1 . 1307 . . 113 ARG HB2 . 19290 1 1413 . 1 1 113 113 ARG HB3 H 1 1.955 0.02 . 1 . 1308 . . 113 ARG HB3 . 19290 1 1414 . 1 1 113 113 ARG HG2 H 1 1.432 0.02 . 2 . 1309 . . 113 ARG HG2 . 19290 1 1415 . 1 1 113 113 ARG HG3 H 1 1.356 0.02 . 2 . 1310 . . 113 ARG HG3 . 19290 1 1416 . 1 1 113 113 ARG HD2 H 1 3.270 0.02 . 2 . 1311 . . 113 ARG HD2 . 19290 1 1417 . 1 1 113 113 ARG HD3 H 1 3.143 0.02 . 2 . 1312 . . 113 ARG HD3 . 19290 1 1418 . 1 1 113 113 ARG HE H 1 7.597 0.02 . 1 . 1313 . . 113 ARG HE . 19290 1 1419 . 1 1 113 113 ARG C C 13 178.719 0.30 . 1 . 1300 . . 113 ARG C . 19290 1 1420 . 1 1 113 113 ARG CA C 13 60.755 0.30 . 1 . 1301 . . 113 ARG CA . 19290 1 1421 . 1 1 113 113 ARG CB C 13 30.114 0.30 . 1 . 1302 . . 113 ARG CB . 19290 1 1422 . 1 1 113 113 ARG CG C 13 27.468 0.30 . 1 . 1303 . . 113 ARG CG . 19290 1 1423 . 1 1 113 113 ARG CD C 13 42.776 0.30 . 1 . 1304 . . 113 ARG CD . 19290 1 1424 . 1 1 113 113 ARG N N 15 121.459 0.30 . 1 . 1314 . . 113 ARG N . 19290 1 1425 . 1 1 113 113 ARG NE N 15 83.426 0.30 . 1 . 1315 . . 113 ARG NE . 19290 1 1426 . 1 1 114 114 GLU H H 1 8.241 0.02 . 1 . 1320 . . 114 GLU H . 19290 1 1427 . 1 1 114 114 GLU HA H 1 3.910 0.02 . 1 . 1321 . . 114 GLU HA . 19290 1 1428 . 1 1 114 114 GLU HB2 H 1 2.075 0.02 . 2 . 1322 . . 114 GLU HB2 . 19290 1 1429 . 1 1 114 114 GLU HB3 H 1 2.023 0.02 . 2 . 1323 . . 114 GLU HB3 . 19290 1 1430 . 1 1 114 114 GLU HG2 H 1 2.241 0.02 . 2 . 1324 . . 114 GLU HG2 . 19290 1 1431 . 1 1 114 114 GLU HG3 H 1 2.176 0.02 . 2 . 1325 . . 114 GLU HG3 . 19290 1 1432 . 1 1 114 114 GLU C C 13 178.973 0.30 . 1 . 1316 . . 114 GLU C . 19290 1 1433 . 1 1 114 114 GLU CA C 13 59.446 0.30 . 1 . 1317 . . 114 GLU CA . 19290 1 1434 . 1 1 114 114 GLU CB C 13 29.370 0.30 . 1 . 1318 . . 114 GLU CB . 19290 1 1435 . 1 1 114 114 GLU CG C 13 36.156 0.30 . 1 . 1319 . . 114 GLU CG . 19290 1 1436 . 1 1 114 114 GLU N N 15 119.677 0.30 . 1 . 1326 . . 114 GLU N . 19290 1 1437 . 1 1 115 115 PHE H H 1 8.102 0.02 . 1 . 1335 . . 115 PHE H . 19290 1 1438 . 1 1 115 115 PHE HA H 1 4.049 0.02 . 1 . 1336 . . 115 PHE HA . 19290 1 1439 . 1 1 115 115 PHE HB2 H 1 3.102 0.02 . 2 . 1337 . . 115 PHE HB2 . 19290 1 1440 . 1 1 115 115 PHE HB3 H 1 2.720 0.02 . 2 . 1338 . . 115 PHE HB3 . 19290 1 1441 . 1 1 115 115 PHE HD1 H 1 6.234 0.02 . 3 . 1339 . . 115 PHE HD1 . 19290 1 1442 . 1 1 115 115 PHE HD2 H 1 6.234 0.02 . 3 . 1340 . . 115 PHE HD2 . 19290 1 1443 . 1 1 115 115 PHE HE1 H 1 6.957 0.02 . 3 . 1341 . . 115 PHE HE1 . 19290 1 1444 . 1 1 115 115 PHE HE2 H 1 6.957 0.02 . 3 . 1342 . . 115 PHE HE2 . 19290 1 1445 . 1 1 115 115 PHE HZ H 1 7.100 0.02 . 1 . 1343 . . 115 PHE HZ . 19290 1 1446 . 1 1 115 115 PHE C C 13 178.555 0.30 . 1 . 1327 . . 115 PHE C . 19290 1 1447 . 1 1 115 115 PHE CA C 13 62.178 0.30 . 1 . 1328 . . 115 PHE CA . 19290 1 1448 . 1 1 115 115 PHE CB C 13 39.375 0.30 . 1 . 1329 . . 115 PHE CB . 19290 1 1449 . 1 1 115 115 PHE CD1 C 13 131.127 0.30 . 3 . 1330 . . 115 PHE CD1 . 19290 1 1450 . 1 1 115 115 PHE CD2 C 13 131.127 0.30 . 3 . 1331 . . 115 PHE CD2 . 19290 1 1451 . 1 1 115 115 PHE CE1 C 13 131.821 0.30 . 3 . 1332 . . 115 PHE CE1 . 19290 1 1452 . 1 1 115 115 PHE CE2 C 13 131.821 0.30 . 3 . 1333 . . 115 PHE CE2 . 19290 1 1453 . 1 1 115 115 PHE CZ C 13 130.752 0.30 . 1 . 1334 . . 115 PHE CZ . 19290 1 1454 . 1 1 115 115 PHE N N 15 119.592 0.30 . 1 . 1344 . . 115 PHE N . 19290 1 1455 . 1 1 116 116 PHE H H 1 8.954 0.02 . 1 . 1353 . . 116 PHE H . 19290 1 1456 . 1 1 116 116 PHE HA H 1 4.378 0.02 . 1 . 1354 . . 116 PHE HA . 19290 1 1457 . 1 1 116 116 PHE HB2 H 1 3.344 0.02 . 2 . 1355 . . 116 PHE HB2 . 19290 1 1458 . 1 1 116 116 PHE HB3 H 1 2.847 0.02 . 2 . 1356 . . 116 PHE HB3 . 19290 1 1459 . 1 1 116 116 PHE HD1 H 1 7.618 0.02 . 3 . 1357 . . 116 PHE HD1 . 19290 1 1460 . 1 1 116 116 PHE HD2 H 1 7.618 0.02 . 3 . 1358 . . 116 PHE HD2 . 19290 1 1461 . 1 1 116 116 PHE HE1 H 1 7.095 0.02 . 3 . 1359 . . 116 PHE HE1 . 19290 1 1462 . 1 1 116 116 PHE HE2 H 1 7.095 0.02 . 3 . 1360 . . 116 PHE HE2 . 19290 1 1463 . 1 1 116 116 PHE HZ H 1 6.989 0.02 . 1 . 1361 . . 116 PHE HZ . 19290 1 1464 . 1 1 116 116 PHE C C 13 177.092 0.30 . 1 . 1345 . . 116 PHE C . 19290 1 1465 . 1 1 116 116 PHE CA C 13 63.263 0.30 . 1 . 1346 . . 116 PHE CA . 19290 1 1466 . 1 1 116 116 PHE CB C 13 38.166 0.30 . 1 . 1347 . . 116 PHE CB . 19290 1 1467 . 1 1 116 116 PHE CD1 C 13 132.329 0.30 . 3 . 1348 . . 116 PHE CD1 . 19290 1 1468 . 1 1 116 116 PHE CD2 C 13 132.329 0.30 . 3 . 1349 . . 116 PHE CD2 . 19290 1 1469 . 1 1 116 116 PHE CE1 C 13 130.888 0.30 . 3 . 1350 . . 116 PHE CE1 . 19290 1 1470 . 1 1 116 116 PHE CE2 C 13 130.888 0.30 . 3 . 1351 . . 116 PHE CE2 . 19290 1 1471 . 1 1 116 116 PHE CZ C 13 129.577 0.30 . 1 . 1352 . . 116 PHE CZ . 19290 1 1472 . 1 1 116 116 PHE N N 15 115.542 0.30 . 1 . 1362 . . 116 PHE N . 19290 1 1473 . 1 1 117 117 SER H H 1 8.050 0.02 . 1 . 1366 . . 117 SER H . 19290 1 1474 . 1 1 117 117 SER HA H 1 5.190 0.02 . 1 . 1367 . . 117 SER HA . 19290 1 1475 . 1 1 117 117 SER HB2 H 1 4.060 0.02 . 2 . 1368 . . 117 SER HB2 . 19290 1 1476 . 1 1 117 117 SER HB3 H 1 3.997 0.02 . 2 . 1369 . . 117 SER HB3 . 19290 1 1477 . 1 1 117 117 SER C C 13 174.868 0.30 . 1 . 1363 . . 117 SER C . 19290 1 1478 . 1 1 117 117 SER CA C 13 61.137 0.30 . 1 . 1364 . . 117 SER CA . 19290 1 1479 . 1 1 117 117 SER CB C 13 62.953 0.30 . 1 . 1365 . . 117 SER CB . 19290 1 1480 . 1 1 117 117 SER N N 15 116.443 0.30 . 1 . 1370 . . 117 SER N . 19290 1 1481 . 1 1 118 118 GLN H H 1 6.992 0.02 . 1 . 1375 . . 118 GLN H . 19290 1 1482 . 1 1 118 118 GLN HA H 1 3.986 0.02 . 1 . 1376 . . 118 GLN HA . 19290 1 1483 . 1 1 118 118 GLN HB2 H 1 1.539 0.02 . 1 . 1377 . . 118 GLN HB2 . 19290 1 1484 . 1 1 118 118 GLN HB3 H 1 1.539 0.02 . 1 . 1378 . . 118 GLN HB3 . 19290 1 1485 . 1 1 118 118 GLN HG2 H 1 1.744 0.02 . 1 . 1379 . . 118 GLN HG2 . 19290 1 1486 . 1 1 118 118 GLN HG3 H 1 1.744 0.02 . 1 . 1380 . . 118 GLN HG3 . 19290 1 1487 . 1 1 118 118 GLN HE21 H 1 6.281 0.02 . 1 . 1381 . . 118 GLN HE21 . 19290 1 1488 . 1 1 118 118 GLN HE22 H 1 5.855 0.02 . 1 . 1382 . . 118 GLN HE22 . 19290 1 1489 . 1 1 118 118 GLN C C 13 176.178 0.30 . 1 . 1371 . . 118 GLN C . 19290 1 1490 . 1 1 118 118 GLN CA C 13 57.278 0.30 . 1 . 1372 . . 118 GLN CA . 19290 1 1491 . 1 1 118 118 GLN CB C 13 29.115 0.30 . 1 . 1373 . . 118 GLN CB . 19290 1 1492 . 1 1 118 118 GLN CG C 13 33.242 0.30 . 1 . 1374 . . 118 GLN CG . 19290 1 1493 . 1 1 118 118 GLN N N 15 117.746 0.30 . 1 . 1383 . . 118 GLN N . 19290 1 1494 . 1 1 118 118 GLN NE2 N 15 110.687 0.30 . 1 . 1384 . . 118 GLN NE2 . 19290 1 1495 . 1 1 119 119 TYR H H 1 7.763 0.02 . 1 . 1392 . . 119 TYR H . 19290 1 1496 . 1 1 119 119 TYR HA H 1 4.285 0.02 . 1 . 1393 . . 119 TYR HA . 19290 1 1497 . 1 1 119 119 TYR HB2 H 1 2.925 0.02 . 2 . 1394 . . 119 TYR HB2 . 19290 1 1498 . 1 1 119 119 TYR HB3 H 1 2.861 0.02 . 2 . 1395 . . 119 TYR HB3 . 19290 1 1499 . 1 1 119 119 TYR HD1 H 1 7.149 0.02 . 3 . 1396 . . 119 TYR HD1 . 19290 1 1500 . 1 1 119 119 TYR HD2 H 1 7.149 0.02 . 3 . 1397 . . 119 TYR HD2 . 19290 1 1501 . 1 1 119 119 TYR HE1 H 1 6.418 0.02 . 3 . 1398 . . 119 TYR HE1 . 19290 1 1502 . 1 1 119 119 TYR HE2 H 1 6.418 0.02 . 3 . 1399 . . 119 TYR HE2 . 19290 1 1503 . 1 1 119 119 TYR C C 13 175.450 0.30 . 1 . 1385 . . 119 TYR C . 19290 1 1504 . 1 1 119 119 TYR CA C 13 59.235 0.30 . 1 . 1386 . . 119 TYR CA . 19290 1 1505 . 1 1 119 119 TYR CB C 13 38.877 0.30 . 1 . 1387 . . 119 TYR CB . 19290 1 1506 . 1 1 119 119 TYR CD1 C 13 132.894 0.30 . 3 . 1388 . . 119 TYR CD1 . 19290 1 1507 . 1 1 119 119 TYR CD2 C 13 132.894 0.30 . 3 . 1389 . . 119 TYR CD2 . 19290 1 1508 . 1 1 119 119 TYR CE1 C 13 118.240 0.30 . 3 . 1390 . . 119 TYR CE1 . 19290 1 1509 . 1 1 119 119 TYR CE2 C 13 118.240 0.30 . 3 . 1391 . . 119 TYR CE2 . 19290 1 1510 . 1 1 119 119 TYR N N 15 117.593 0.30 . 1 . 1400 . . 119 TYR N . 19290 1 1511 . 1 1 120 120 GLY H H 1 7.514 0.02 . 1 . 1403 . . 120 GLY H . 19290 1 1512 . 1 1 120 120 GLY HA2 H 1 3.981 0.02 . 1 . 1404 . . 120 GLY HA2 . 19290 1 1513 . 1 1 120 120 GLY HA3 H 1 3.981 0.02 . 1 . 1405 . . 120 GLY HA3 . 19290 1 1514 . 1 1 120 120 GLY C C 13 170.181 0.30 . 1 . 1401 . . 120 GLY C . 19290 1 1515 . 1 1 120 120 GLY CA C 13 44.580 0.30 . 1 . 1402 . . 120 GLY CA . 19290 1 1516 . 1 1 120 120 GLY N N 15 105.184 0.30 . 1 . 1406 . . 120 GLY N . 19290 1 1517 . 1 1 121 121 ASP H H 1 8.002 0.02 . 1 . 1410 . . 121 ASP H . 19290 1 1518 . 1 1 121 121 ASP HA H 1 4.560 0.02 . 1 . 1411 . . 121 ASP HA . 19290 1 1519 . 1 1 121 121 ASP HB2 H 1 2.521 0.02 . 2 . 1412 . . 121 ASP HB2 . 19290 1 1520 . 1 1 121 121 ASP HB3 H 1 2.462 0.02 . 2 . 1413 . . 121 ASP HB3 . 19290 1 1521 . 1 1 121 121 ASP C C 13 176.420 0.30 . 1 . 1407 . . 121 ASP C . 19290 1 1522 . 1 1 121 121 ASP CA C 13 55.570 0.30 . 1 . 1408 . . 121 ASP CA . 19290 1 1523 . 1 1 121 121 ASP CB C 13 40.740 0.30 . 1 . 1409 . . 121 ASP CB . 19290 1 1524 . 1 1 121 121 ASP N N 15 116.466 0.30 . 1 . 1414 . . 121 ASP N . 19290 1 1525 . 1 1 122 122 VAL H H 1 8.999 0.02 . 1 . 1420 . . 122 VAL H . 19290 1 1526 . 1 1 122 122 VAL HA H 1 3.792 0.02 . 1 . 1421 . . 122 VAL HA . 19290 1 1527 . 1 1 122 122 VAL HB H 1 1.789 0.02 . 1 . 1422 . . 122 VAL HB . 19290 1 1528 . 1 1 122 122 VAL HG11 H 1 0.502 0.02 . 1 . 1423 . . 122 VAL HG11 . 19290 1 1529 . 1 1 122 122 VAL HG12 H 1 0.502 0.02 . 1 . 1423 . . 122 VAL HG12 . 19290 1 1530 . 1 1 122 122 VAL HG13 H 1 0.502 0.02 . 1 . 1423 . . 122 VAL HG13 . 19290 1 1531 . 1 1 122 122 VAL HG21 H 1 0.769 0.02 . 1 . 1424 . . 122 VAL HG21 . 19290 1 1532 . 1 1 122 122 VAL HG22 H 1 0.769 0.02 . 1 . 1424 . . 122 VAL HG22 . 19290 1 1533 . 1 1 122 122 VAL HG23 H 1 0.769 0.02 . 1 . 1424 . . 122 VAL HG23 . 19290 1 1534 . 1 1 122 122 VAL C C 13 175.868 0.30 . 1 . 1415 . . 122 VAL C . 19290 1 1535 . 1 1 122 122 VAL CA C 13 62.132 0.30 . 1 . 1416 . . 122 VAL CA . 19290 1 1536 . 1 1 122 122 VAL CB C 13 33.423 0.30 . 1 . 1417 . . 122 VAL CB . 19290 1 1537 . 1 1 122 122 VAL CG1 C 13 22.584 0.30 . 1 . 1418 . . 122 VAL CG1 . 19290 1 1538 . 1 1 122 122 VAL CG2 C 13 21.963 0.30 . 1 . 1419 . . 122 VAL CG2 . 19290 1 1539 . 1 1 122 122 VAL N N 15 126.800 0.30 . 1 . 1425 . . 122 VAL N . 19290 1 1540 . 1 1 123 123 MET H H 1 8.997 0.02 . 1 . 1431 . . 123 MET H . 19290 1 1541 . 1 1 123 123 MET HA H 1 4.448 0.02 . 1 . 1432 . . 123 MET HA . 19290 1 1542 . 1 1 123 123 MET HB2 H 1 1.949 0.02 . 2 . 1433 . . 123 MET HB2 . 19290 1 1543 . 1 1 123 123 MET HB3 H 1 1.383 0.02 . 2 . 1434 . . 123 MET HB3 . 19290 1 1544 . 1 1 123 123 MET HG2 H 1 2.344 0.02 . 2 . 1435 . . 123 MET HG2 . 19290 1 1545 . 1 1 123 123 MET HG3 H 1 2.171 0.02 . 2 . 1436 . . 123 MET HG3 . 19290 1 1546 . 1 1 123 123 MET HE1 H 1 1.977 0.02 . 1 . 1437 . . 123 MET HE1 . 19290 1 1547 . 1 1 123 123 MET HE2 H 1 1.977 0.02 . 1 . 1437 . . 123 MET HE2 . 19290 1 1548 . 1 1 123 123 MET HE3 H 1 1.977 0.02 . 1 . 1437 . . 123 MET HE3 . 19290 1 1549 . 1 1 123 123 MET C C 13 175.972 0.30 . 1 . 1426 . . 123 MET C . 19290 1 1550 . 1 1 123 123 MET CA C 13 55.590 0.30 . 1 . 1427 . . 123 MET CA . 19290 1 1551 . 1 1 123 123 MET CB C 13 33.630 0.30 . 1 . 1428 . . 123 MET CB . 19290 1 1552 . 1 1 123 123 MET CG C 13 31.270 0.30 . 1 . 1429 . . 123 MET CG . 19290 1 1553 . 1 1 123 123 MET CE C 13 16.646 0.30 . 1 . 1430 . . 123 MET CE . 19290 1 1554 . 1 1 123 123 MET N N 15 125.316 0.30 . 1 . 1438 . . 123 MET N . 19290 1 1555 . 1 1 124 124 ASP H H 1 7.463 0.02 . 1 . 1442 . . 124 ASP H . 19290 1 1556 . 1 1 124 124 ASP HA H 1 4.680 0.02 . 1 . 1443 . . 124 ASP HA . 19290 1 1557 . 1 1 124 124 ASP HB2 H 1 2.571 0.02 . 2 . 1444 . . 124 ASP HB2 . 19290 1 1558 . 1 1 124 124 ASP HB3 H 1 2.250 0.02 . 2 . 1445 . . 124 ASP HB3 . 19290 1 1559 . 1 1 124 124 ASP C C 13 173.256 0.30 . 1 . 1439 . . 124 ASP C . 19290 1 1560 . 1 1 124 124 ASP CA C 13 54.308 0.30 . 1 . 1440 . . 124 ASP CA . 19290 1 1561 . 1 1 124 124 ASP CB C 13 44.691 0.30 . 1 . 1441 . . 124 ASP CB . 19290 1 1562 . 1 1 124 124 ASP N N 15 116.261 0.30 . 1 . 1446 . . 124 ASP N . 19290 1 1563 . 1 1 125 125 VAL H H 1 8.013 0.02 . 1 . 1452 . . 125 VAL H . 19290 1 1564 . 1 1 125 125 VAL HA H 1 4.435 0.02 . 1 . 1453 . . 125 VAL HA . 19290 1 1565 . 1 1 125 125 VAL HB H 1 1.806 0.02 . 1 . 1454 . . 125 VAL HB . 19290 1 1566 . 1 1 125 125 VAL HG11 H 1 0.825 0.02 . 1 . 1455 . . 125 VAL HG11 . 19290 1 1567 . 1 1 125 125 VAL HG12 H 1 0.825 0.02 . 1 . 1455 . . 125 VAL HG12 . 19290 1 1568 . 1 1 125 125 VAL HG13 H 1 0.825 0.02 . 1 . 1455 . . 125 VAL HG13 . 19290 1 1569 . 1 1 125 125 VAL HG21 H 1 0.773 0.02 . 1 . 1456 . . 125 VAL HG21 . 19290 1 1570 . 1 1 125 125 VAL HG22 H 1 0.773 0.02 . 1 . 1456 . . 125 VAL HG22 . 19290 1 1571 . 1 1 125 125 VAL HG23 H 1 0.773 0.02 . 1 . 1456 . . 125 VAL HG23 . 19290 1 1572 . 1 1 125 125 VAL C C 13 172.778 0.30 . 1 . 1447 . . 125 VAL C . 19290 1 1573 . 1 1 125 125 VAL CA C 13 62.065 0.30 . 1 . 1448 . . 125 VAL CA . 19290 1 1574 . 1 1 125 125 VAL CB C 13 35.411 0.30 . 1 . 1449 . . 125 VAL CB . 19290 1 1575 . 1 1 125 125 VAL CG1 C 13 21.963 0.30 . 1 . 1450 . . 125 VAL CG1 . 19290 1 1576 . 1 1 125 125 VAL CG2 C 13 21.520 0.30 . 1 . 1451 . . 125 VAL CG2 . 19290 1 1577 . 1 1 125 125 VAL N N 15 121.743 0.30 . 1 . 1457 . . 125 VAL N . 19290 1 1578 . 1 1 126 126 PHE H H 1 8.977 0.02 . 1 . 1466 . . 126 PHE H . 19290 1 1579 . 1 1 126 126 PHE HA H 1 4.990 0.02 . 1 . 1467 . . 126 PHE HA . 19290 1 1580 . 1 1 126 126 PHE HB2 H 1 3.198 0.02 . 2 . 1468 . . 126 PHE HB2 . 19290 1 1581 . 1 1 126 126 PHE HB3 H 1 2.765 0.02 . 2 . 1469 . . 126 PHE HB3 . 19290 1 1582 . 1 1 126 126 PHE HD1 H 1 7.152 0.02 . 3 . 1470 . . 126 PHE HD1 . 19290 1 1583 . 1 1 126 126 PHE HD2 H 1 7.152 0.02 . 3 . 1471 . . 126 PHE HD2 . 19290 1 1584 . 1 1 126 126 PHE HE1 H 1 7.227 0.02 . 3 . 1472 . . 126 PHE HE1 . 19290 1 1585 . 1 1 126 126 PHE HE2 H 1 7.227 0.02 . 3 . 1473 . . 126 PHE HE2 . 19290 1 1586 . 1 1 126 126 PHE HZ H 1 7.307 0.02 . 1 . 1474 . . 126 PHE HZ . 19290 1 1587 . 1 1 126 126 PHE C C 13 173.300 0.30 . 1 . 1458 . . 126 PHE C . 19290 1 1588 . 1 1 126 126 PHE CA C 13 55.937 0.30 . 1 . 1459 . . 126 PHE CA . 19290 1 1589 . 1 1 126 126 PHE CB C 13 42.238 0.30 . 1 . 1460 . . 126 PHE CB . 19290 1 1590 . 1 1 126 126 PHE CD1 C 13 131.313 0.30 . 3 . 1461 . . 126 PHE CD1 . 19290 1 1591 . 1 1 126 126 PHE CD2 C 13 131.313 0.30 . 3 . 1462 . . 126 PHE CD2 . 19290 1 1592 . 1 1 126 126 PHE CE1 C 13 131.334 0.30 . 3 . 1463 . . 126 PHE CE1 . 19290 1 1593 . 1 1 126 126 PHE CE2 C 13 131.334 0.30 . 3 . 1464 . . 126 PHE CE2 . 19290 1 1594 . 1 1 126 126 PHE CZ C 13 129.970 0.30 . 1 . 1465 . . 126 PHE CZ . 19290 1 1595 . 1 1 126 126 PHE N N 15 127.218 0.30 . 1 . 1475 . . 126 PHE N . 19290 1 1596 . 1 1 127 127 ILE H H 1 8.353 0.02 . 1 . 1481 . . 127 ILE H . 19290 1 1597 . 1 1 127 127 ILE HA H 1 4.115 0.02 . 1 . 1482 . . 127 ILE HA . 19290 1 1598 . 1 1 127 127 ILE HB H 1 1.400 0.02 . 1 . 1483 . . 127 ILE HB . 19290 1 1599 . 1 1 127 127 ILE HG12 H 1 1.204 0.02 . 2 . 1484 . . 127 ILE HG12 . 19290 1 1600 . 1 1 127 127 ILE HG13 H 1 0.687 0.02 . 2 . 1485 . . 127 ILE HG13 . 19290 1 1601 . 1 1 127 127 ILE HG21 H 1 0.684 0.02 . 1 . 1486 . . 127 ILE HG21 . 19290 1 1602 . 1 1 127 127 ILE HG22 H 1 0.684 0.02 . 1 . 1486 . . 127 ILE HG22 . 19290 1 1603 . 1 1 127 127 ILE HG23 H 1 0.684 0.02 . 1 . 1486 . . 127 ILE HG23 . 19290 1 1604 . 1 1 127 127 ILE HD11 H 1 0.514 0.02 . 1 . 1487 . . 127 ILE HD11 . 19290 1 1605 . 1 1 127 127 ILE HD12 H 1 0.514 0.02 . 1 . 1487 . . 127 ILE HD12 . 19290 1 1606 . 1 1 127 127 ILE HD13 H 1 0.514 0.02 . 1 . 1487 . . 127 ILE HD13 . 19290 1 1607 . 1 1 127 127 ILE CA C 13 57.336 0.30 . 1 . 1476 . . 127 ILE CA . 19290 1 1608 . 1 1 127 127 ILE CB C 13 40.116 0.30 . 1 . 1477 . . 127 ILE CB . 19290 1 1609 . 1 1 127 127 ILE CG1 C 13 27.703 0.30 . 1 . 1478 . . 127 ILE CG1 . 19290 1 1610 . 1 1 127 127 ILE CG2 C 13 16.555 0.30 . 1 . 1479 . . 127 ILE CG2 . 19290 1 1611 . 1 1 127 127 ILE CD1 C 13 12.952 0.30 . 1 . 1480 . . 127 ILE CD1 . 19290 1 1612 . 1 1 127 127 ILE N N 15 128.430 0.30 . 1 . 1488 . . 127 ILE N . 19290 1 1613 . 1 1 128 128 PRO HA H 1 3.916 0.02 . 1 . 1494 . . 128 PRO HA . 19290 1 1614 . 1 1 128 128 PRO HB2 H 1 2.046 0.02 . 2 . 1495 . . 128 PRO HB2 . 19290 1 1615 . 1 1 128 128 PRO HB3 H 1 1.528 0.02 . 2 . 1496 . . 128 PRO HB3 . 19290 1 1616 . 1 1 128 128 PRO HG2 H 1 1.062 0.02 . 2 . 1497 . . 128 PRO HG2 . 19290 1 1617 . 1 1 128 128 PRO HG3 H 1 0.893 0.02 . 2 . 1498 . . 128 PRO HG3 . 19290 1 1618 . 1 1 128 128 PRO HD2 H 1 3.209 0.02 . 2 . 1499 . . 128 PRO HD2 . 19290 1 1619 . 1 1 128 128 PRO HD3 H 1 2.540 0.02 . 2 . 1500 . . 128 PRO HD3 . 19290 1 1620 . 1 1 128 128 PRO C C 13 174.674 0.30 . 1 . 1489 . . 128 PRO C . 19290 1 1621 . 1 1 128 128 PRO CA C 13 62.672 0.30 . 1 . 1490 . . 128 PRO CA . 19290 1 1622 . 1 1 128 128 PRO CB C 13 31.845 0.30 . 1 . 1491 . . 128 PRO CB . 19290 1 1623 . 1 1 128 128 PRO CG C 13 26.082 0.30 . 1 . 1492 . . 128 PRO CG . 19290 1 1624 . 1 1 128 128 PRO CD C 13 50.591 0.30 . 1 . 1493 . . 128 PRO CD . 19290 1 1625 . 1 1 129 129 LYS H H 1 7.970 0.02 . 1 . 1506 . . 129 LYS H . 19290 1 1626 . 1 1 129 129 LYS HA H 1 4.117 0.02 . 1 . 1507 . . 129 LYS HA . 19290 1 1627 . 1 1 129 129 LYS HB2 H 1 1.568 0.02 . 2 . 1508 . . 129 LYS HB2 . 19290 1 1628 . 1 1 129 129 LYS HB3 H 1 1.472 0.02 . 2 . 1509 . . 129 LYS HB3 . 19290 1 1629 . 1 1 129 129 LYS HG2 H 1 1.334 0.02 . 2 . 1510 . . 129 LYS HG2 . 19290 1 1630 . 1 1 129 129 LYS HG3 H 1 1.229 0.02 . 2 . 1511 . . 129 LYS HG3 . 19290 1 1631 . 1 1 129 129 LYS HD2 H 1 1.536 0.02 . 1 . 1512 . . 129 LYS HD2 . 19290 1 1632 . 1 1 129 129 LYS HD3 H 1 1.536 0.02 . 1 . 1513 . . 129 LYS HD3 . 19290 1 1633 . 1 1 129 129 LYS HE2 H 1 2.896 0.02 . 2 . 1514 . . 129 LYS HE2 . 19290 1 1634 . 1 1 129 129 LYS HE3 H 1 2.858 0.02 . 2 . 1515 . . 129 LYS HE3 . 19290 1 1635 . 1 1 129 129 LYS CA C 13 53.653 0.30 . 1 . 1501 . . 129 LYS CA . 19290 1 1636 . 1 1 129 129 LYS CB C 13 34.553 0.30 . 1 . 1502 . . 129 LYS CB . 19290 1 1637 . 1 1 129 129 LYS CG C 13 24.398 0.30 . 1 . 1503 . . 129 LYS CG . 19290 1 1638 . 1 1 129 129 LYS CD C 13 29.004 0.30 . 1 . 1504 . . 129 LYS CD . 19290 1 1639 . 1 1 129 129 LYS CE C 13 41.977 0.30 . 1 . 1505 . . 129 LYS CE . 19290 1 1640 . 1 1 129 129 LYS N N 15 119.692 0.30 . 1 . 1516 . . 129 LYS N . 19290 1 1641 . 1 1 130 130 PRO HA H 1 4.464 0.02 . 1 . 1522 . . 130 PRO HA . 19290 1 1642 . 1 1 130 130 PRO HB2 H 1 2.405 0.02 . 2 . 1523 . . 130 PRO HB2 . 19290 1 1643 . 1 1 130 130 PRO HB3 H 1 2.102 0.02 . 2 . 1524 . . 130 PRO HB3 . 19290 1 1644 . 1 1 130 130 PRO HG2 H 1 1.852 0.02 . 2 . 1525 . . 130 PRO HG2 . 19290 1 1645 . 1 1 130 130 PRO HG3 H 1 1.725 0.02 . 2 . 1526 . . 130 PRO HG3 . 19290 1 1646 . 1 1 130 130 PRO HD2 H 1 3.482 0.02 . 2 . 1527 . . 130 PRO HD2 . 19290 1 1647 . 1 1 130 130 PRO HD3 H 1 3.402 0.02 . 2 . 1528 . . 130 PRO HD3 . 19290 1 1648 . 1 1 130 130 PRO C C 13 174.681 0.30 . 1 . 1517 . . 130 PRO C . 19290 1 1649 . 1 1 130 130 PRO CA C 13 62.360 0.30 . 1 . 1518 . . 130 PRO CA . 19290 1 1650 . 1 1 130 130 PRO CB C 13 34.638 0.30 . 1 . 1519 . . 130 PRO CB . 19290 1 1651 . 1 1 130 130 PRO CG C 13 25.172 0.30 . 1 . 1520 . . 130 PRO CG . 19290 1 1652 . 1 1 130 130 PRO CD C 13 50.315 0.30 . 1 . 1521 . . 130 PRO CD . 19290 1 1653 . 1 1 131 131 PHE H H 1 8.246 0.02 . 1 . 1537 . . 131 PHE H . 19290 1 1654 . 1 1 131 131 PHE HA H 1 4.268 0.02 . 1 . 1538 . . 131 PHE HA . 19290 1 1655 . 1 1 131 131 PHE HB2 H 1 3.164 0.02 . 2 . 1539 . . 131 PHE HB2 . 19290 1 1656 . 1 1 131 131 PHE HB3 H 1 2.667 0.02 . 2 . 1540 . . 131 PHE HB3 . 19290 1 1657 . 1 1 131 131 PHE HD1 H 1 7.174 0.02 . 3 . 1541 . . 131 PHE HD1 . 19290 1 1658 . 1 1 131 131 PHE HD2 H 1 7.174 0.02 . 3 . 1542 . . 131 PHE HD2 . 19290 1 1659 . 1 1 131 131 PHE HE1 H 1 6.930 0.02 . 3 . 1543 . . 131 PHE HE1 . 19290 1 1660 . 1 1 131 131 PHE HE2 H 1 6.930 0.02 . 3 . 1544 . . 131 PHE HE2 . 19290 1 1661 . 1 1 131 131 PHE HZ H 1 6.752 0.02 . 1 . 1545 . . 131 PHE HZ . 19290 1 1662 . 1 1 131 131 PHE C C 13 175.942 0.30 . 1 . 1529 . . 131 PHE C . 19290 1 1663 . 1 1 131 131 PHE CA C 13 58.717 0.30 . 1 . 1530 . . 131 PHE CA . 19290 1 1664 . 1 1 131 131 PHE CB C 13 39.406 0.30 . 1 . 1531 . . 131 PHE CB . 19290 1 1665 . 1 1 131 131 PHE CD1 C 13 132.502 0.30 . 3 . 1532 . . 131 PHE CD1 . 19290 1 1666 . 1 1 131 131 PHE CD2 C 13 132.502 0.30 . 3 . 1533 . . 131 PHE CD2 . 19290 1 1667 . 1 1 131 131 PHE CE1 C 13 131.185 0.30 . 3 . 1534 . . 131 PHE CE1 . 19290 1 1668 . 1 1 131 131 PHE CE2 C 13 131.185 0.30 . 3 . 1535 . . 131 PHE CE2 . 19290 1 1669 . 1 1 131 131 PHE CZ C 13 129.353 0.30 . 1 . 1536 . . 131 PHE CZ . 19290 1 1670 . 1 1 131 131 PHE N N 15 119.172 0.30 . 1 . 1546 . . 131 PHE N . 19290 1 1671 . 1 1 132 132 ARG H H 1 8.304 0.02 . 1 . 1551 . . 132 ARG H . 19290 1 1672 . 1 1 132 132 ARG HA H 1 2.687 0.02 . 1 . 1552 . . 132 ARG HA . 19290 1 1673 . 1 1 132 132 ARG HB2 H 1 1.642 0.02 . 2 . 1553 . . 132 ARG HB2 . 19290 1 1674 . 1 1 132 132 ARG HB3 H 1 0.577 0.02 . 2 . 1554 . . 132 ARG HB3 . 19290 1 1675 . 1 1 132 132 ARG HG2 H 1 1.426 0.02 . 2 . 1555 . . 132 ARG HG2 . 19290 1 1676 . 1 1 132 132 ARG HG3 H 1 1.182 0.02 . 2 . 1556 . . 132 ARG HG3 . 19290 1 1677 . 1 1 132 132 ARG HD2 H 1 3.139 0.02 . 2 . 1557 . . 132 ARG HD2 . 19290 1 1678 . 1 1 132 132 ARG HD3 H 1 2.913 0.02 . 2 . 1558 . . 132 ARG HD3 . 19290 1 1679 . 1 1 132 132 ARG HE H 1 7.526 0.02 . 1 . 1559 . . 132 ARG HE . 19290 1 1680 . 1 1 132 132 ARG CA C 13 54.121 0.30 . 1 . 1547 . . 132 ARG CA . 19290 1 1681 . 1 1 132 132 ARG CB C 13 33.907 0.30 . 1 . 1548 . . 132 ARG CB . 19290 1 1682 . 1 1 132 132 ARG CG C 13 26.091 0.30 . 1 . 1549 . . 132 ARG CG . 19290 1 1683 . 1 1 132 132 ARG CD C 13 44.476 0.30 . 1 . 1550 . . 132 ARG CD . 19290 1 1684 . 1 1 132 132 ARG N N 15 124.440 0.30 . 1 . 1560 . . 132 ARG N . 19290 1 1685 . 1 1 132 132 ARG NE N 15 84.347 0.30 . 1 . 1561 . . 132 ARG NE . 19290 1 1686 . 1 1 133 133 ALA HA H 1 3.117 0.02 . 1 . 1565 . . 133 ALA HA . 19290 1 1687 . 1 1 133 133 ALA HB1 H 1 0.781 0.02 . 1 . 1566 . . 133 ALA HB1 . 19290 1 1688 . 1 1 133 133 ALA HB2 H 1 0.781 0.02 . 1 . 1566 . . 133 ALA HB2 . 19290 1 1689 . 1 1 133 133 ALA HB3 H 1 0.781 0.02 . 1 . 1566 . . 133 ALA HB3 . 19290 1 1690 . 1 1 133 133 ALA C C 13 175.077 0.30 . 1 . 1562 . . 133 ALA C . 19290 1 1691 . 1 1 133 133 ALA CA C 13 53.220 0.30 . 1 . 1563 . . 133 ALA CA . 19290 1 1692 . 1 1 133 133 ALA CB C 13 16.491 0.30 . 1 . 1564 . . 133 ALA CB . 19290 1 1693 . 1 1 134 134 PHE H H 1 6.294 0.02 . 1 . 1575 . . 134 PHE H . 19290 1 1694 . 1 1 134 134 PHE HA H 1 5.191 0.02 . 1 . 1576 . . 134 PHE HA . 19290 1 1695 . 1 1 134 134 PHE HB2 H 1 2.356 0.02 . 2 . 1577 . . 134 PHE HB2 . 19290 1 1696 . 1 1 134 134 PHE HB3 H 1 2.082 0.02 . 2 . 1578 . . 134 PHE HB3 . 19290 1 1697 . 1 1 134 134 PHE HD1 H 1 6.314 0.02 . 3 . 1579 . . 134 PHE HD1 . 19290 1 1698 . 1 1 134 134 PHE HD2 H 1 6.314 0.02 . 3 . 1580 . . 134 PHE HD2 . 19290 1 1699 . 1 1 134 134 PHE HE1 H 1 6.874 0.02 . 3 . 1581 . . 134 PHE HE1 . 19290 1 1700 . 1 1 134 134 PHE HE2 H 1 6.874 0.02 . 3 . 1582 . . 134 PHE HE2 . 19290 1 1701 . 1 1 134 134 PHE HZ H 1 7.053 0.02 . 1 . 1583 . . 134 PHE HZ . 19290 1 1702 . 1 1 134 134 PHE C C 13 171.748 0.30 . 1 . 1567 . . 134 PHE C . 19290 1 1703 . 1 1 134 134 PHE CA C 13 55.639 0.30 . 1 . 1568 . . 134 PHE CA . 19290 1 1704 . 1 1 134 134 PHE CB C 13 43.857 0.30 . 1 . 1569 . . 134 PHE CB . 19290 1 1705 . 1 1 134 134 PHE CD1 C 13 133.254 0.30 . 3 . 1570 . . 134 PHE CD1 . 19290 1 1706 . 1 1 134 134 PHE CD2 C 13 133.254 0.30 . 3 . 1571 . . 134 PHE CD2 . 19290 1 1707 . 1 1 134 134 PHE CE1 C 13 130.807 0.30 . 3 . 1572 . . 134 PHE CE1 . 19290 1 1708 . 1 1 134 134 PHE CE2 C 13 130.807 0.30 . 3 . 1573 . . 134 PHE CE2 . 19290 1 1709 . 1 1 134 134 PHE CZ C 13 128.285 0.30 . 1 . 1574 . . 134 PHE CZ . 19290 1 1710 . 1 1 134 134 PHE N N 15 112.692 0.30 . 1 . 1584 . . 134 PHE N . 19290 1 1711 . 1 1 135 135 ALA H H 1 7.927 0.02 . 1 . 1588 . . 135 ALA H . 19290 1 1712 . 1 1 135 135 ALA HA H 1 4.590 0.02 . 1 . 1589 . . 135 ALA HA . 19290 1 1713 . 1 1 135 135 ALA HB1 H 1 0.846 0.02 . 1 . 1590 . . 135 ALA HB1 . 19290 1 1714 . 1 1 135 135 ALA HB2 H 1 0.846 0.02 . 1 . 1590 . . 135 ALA HB2 . 19290 1 1715 . 1 1 135 135 ALA HB3 H 1 0.846 0.02 . 1 . 1590 . . 135 ALA HB3 . 19290 1 1716 . 1 1 135 135 ALA C C 13 175.286 0.30 . 1 . 1585 . . 135 ALA C . 19290 1 1717 . 1 1 135 135 ALA CA C 13 49.886 0.30 . 1 . 1586 . . 135 ALA CA . 19290 1 1718 . 1 1 135 135 ALA CB C 13 23.798 0.30 . 1 . 1587 . . 135 ALA CB . 19290 1 1719 . 1 1 135 135 ALA N N 15 118.627 0.30 . 1 . 1591 . . 135 ALA N . 19290 1 1720 . 1 1 136 136 PHE H H 1 8.875 0.02 . 1 . 1600 . . 136 PHE H . 19290 1 1721 . 1 1 136 136 PHE HA H 1 5.623 0.02 . 1 . 1601 . . 136 PHE HA . 19290 1 1722 . 1 1 136 136 PHE HB2 H 1 2.648 0.02 . 1 . 1602 . . 136 PHE HB2 . 19290 1 1723 . 1 1 136 136 PHE HB3 H 1 2.648 0.02 . 1 . 1603 . . 136 PHE HB3 . 19290 1 1724 . 1 1 136 136 PHE HD1 H 1 6.837 0.02 . 3 . 1604 . . 136 PHE HD1 . 19290 1 1725 . 1 1 136 136 PHE HD2 H 1 6.837 0.02 . 3 . 1605 . . 136 PHE HD2 . 19290 1 1726 . 1 1 136 136 PHE HE1 H 1 7.070 0.02 . 3 . 1606 . . 136 PHE HE1 . 19290 1 1727 . 1 1 136 136 PHE HE2 H 1 7.070 0.02 . 3 . 1607 . . 136 PHE HE2 . 19290 1 1728 . 1 1 136 136 PHE HZ H 1 6.914 0.02 . 1 . 1608 . . 136 PHE HZ . 19290 1 1729 . 1 1 136 136 PHE C C 13 176.360 0.30 . 1 . 1592 . . 136 PHE C . 19290 1 1730 . 1 1 136 136 PHE CA C 13 57.142 0.30 . 1 . 1593 . . 136 PHE CA . 19290 1 1731 . 1 1 136 136 PHE CB C 13 43.006 0.30 . 1 . 1594 . . 136 PHE CB . 19290 1 1732 . 1 1 136 136 PHE CD1 C 13 130.597 0.30 . 3 . 1595 . . 136 PHE CD1 . 19290 1 1733 . 1 1 136 136 PHE CD2 C 13 130.597 0.30 . 3 . 1596 . . 136 PHE CD2 . 19290 1 1734 . 1 1 136 136 PHE CE1 C 13 131.454 0.30 . 3 . 1597 . . 136 PHE CE1 . 19290 1 1735 . 1 1 136 136 PHE CE2 C 13 131.454 0.30 . 3 . 1598 . . 136 PHE CE2 . 19290 1 1736 . 1 1 136 136 PHE CZ C 13 128.243 0.30 . 1 . 1599 . . 136 PHE CZ . 19290 1 1737 . 1 1 136 136 PHE N N 15 113.881 0.30 . 1 . 1609 . . 136 PHE N . 19290 1 1738 . 1 1 137 137 VAL H H 1 8.633 0.02 . 1 . 1615 . . 137 VAL H . 19290 1 1739 . 1 1 137 137 VAL HA H 1 4.297 0.02 . 1 . 1616 . . 137 VAL HA . 19290 1 1740 . 1 1 137 137 VAL HB H 1 1.081 0.02 . 1 . 1617 . . 137 VAL HB . 19290 1 1741 . 1 1 137 137 VAL HG11 H 1 0.266 0.02 . 1 . 1618 . . 137 VAL HG11 . 19290 1 1742 . 1 1 137 137 VAL HG12 H 1 0.266 0.02 . 1 . 1618 . . 137 VAL HG12 . 19290 1 1743 . 1 1 137 137 VAL HG13 H 1 0.266 0.02 . 1 . 1618 . . 137 VAL HG13 . 19290 1 1744 . 1 1 137 137 VAL HG21 H 1 -0.139 0.02 . 1 . 1619 . . 137 VAL HG21 . 19290 1 1745 . 1 1 137 137 VAL HG22 H 1 -0.139 0.02 . 1 . 1619 . . 137 VAL HG22 . 19290 1 1746 . 1 1 137 137 VAL HG23 H 1 -0.139 0.02 . 1 . 1619 . . 137 VAL HG23 . 19290 1 1747 . 1 1 137 137 VAL C C 13 173.435 0.30 . 1 . 1610 . . 137 VAL C . 19290 1 1748 . 1 1 137 137 VAL CA C 13 61.107 0.30 . 1 . 1611 . . 137 VAL CA . 19290 1 1749 . 1 1 137 137 VAL CB C 13 34.169 0.30 . 1 . 1612 . . 137 VAL CB . 19290 1 1750 . 1 1 137 137 VAL CG1 C 13 21.054 0.30 . 1 . 1613 . . 137 VAL CG1 . 19290 1 1751 . 1 1 137 137 VAL CG2 C 13 20.452 0.30 . 1 . 1614 . . 137 VAL CG2 . 19290 1 1752 . 1 1 137 137 VAL N N 15 124.575 0.30 . 1 . 1620 . . 137 VAL N . 19290 1 1753 . 1 1 138 138 THR H H 1 8.637 0.02 . 1 . 1625 . . 138 THR H . 19290 1 1754 . 1 1 138 138 THR HA H 1 4.766 0.02 . 1 . 1626 . . 138 THR HA . 19290 1 1755 . 1 1 138 138 THR HB H 1 3.715 0.02 . 1 . 1627 . . 138 THR HB . 19290 1 1756 . 1 1 138 138 THR HG21 H 1 1.039 0.02 . 1 . 1628 . . 138 THR HG21 . 19290 1 1757 . 1 1 138 138 THR HG22 H 1 1.039 0.02 . 1 . 1628 . . 138 THR HG22 . 19290 1 1758 . 1 1 138 138 THR HG23 H 1 1.039 0.02 . 1 . 1628 . . 138 THR HG23 . 19290 1 1759 . 1 1 138 138 THR C C 13 174.062 0.30 . 1 . 1621 . . 138 THR C . 19290 1 1760 . 1 1 138 138 THR CA C 13 61.357 0.30 . 1 . 1622 . . 138 THR CA . 19290 1 1761 . 1 1 138 138 THR CB C 13 69.354 0.30 . 1 . 1623 . . 138 THR CB . 19290 1 1762 . 1 1 138 138 THR CG2 C 13 21.524 0.30 . 1 . 1624 . . 138 THR CG2 . 19290 1 1763 . 1 1 138 138 THR N N 15 122.181 0.30 . 1 . 1629 . . 138 THR N . 19290 1 1764 . 1 1 139 139 PHE H H 1 9.322 0.02 . 1 . 1638 . . 139 PHE H . 19290 1 1765 . 1 1 139 139 PHE HA H 1 4.816 0.02 . 1 . 1639 . . 139 PHE HA . 19290 1 1766 . 1 1 139 139 PHE HB2 H 1 3.487 0.02 . 2 . 1640 . . 139 PHE HB2 . 19290 1 1767 . 1 1 139 139 PHE HB3 H 1 2.758 0.02 . 2 . 1641 . . 139 PHE HB3 . 19290 1 1768 . 1 1 139 139 PHE HD1 H 1 7.060 0.02 . 3 . 1642 . . 139 PHE HD1 . 19290 1 1769 . 1 1 139 139 PHE HD2 H 1 7.060 0.02 . 3 . 1643 . . 139 PHE HD2 . 19290 1 1770 . 1 1 139 139 PHE HE1 H 1 6.985 0.02 . 3 . 1644 . . 139 PHE HE1 . 19290 1 1771 . 1 1 139 139 PHE HE2 H 1 6.985 0.02 . 3 . 1645 . . 139 PHE HE2 . 19290 1 1772 . 1 1 139 139 PHE HZ H 1 6.916 0.02 . 1 . 1646 . . 139 PHE HZ . 19290 1 1773 . 1 1 139 139 PHE C C 13 174.614 0.30 . 1 . 1630 . . 139 PHE C . 19290 1 1774 . 1 1 139 139 PHE CA C 13 58.249 0.30 . 1 . 1631 . . 139 PHE CA . 19290 1 1775 . 1 1 139 139 PHE CB C 13 41.012 0.30 . 1 . 1632 . . 139 PHE CB . 19290 1 1776 . 1 1 139 139 PHE CD1 C 13 131.900 0.30 . 3 . 1633 . . 139 PHE CD1 . 19290 1 1777 . 1 1 139 139 PHE CD2 C 13 131.900 0.30 . 3 . 1634 . . 139 PHE CD2 . 19290 1 1778 . 1 1 139 139 PHE CE1 C 13 130.767 0.30 . 3 . 1635 . . 139 PHE CE1 . 19290 1 1779 . 1 1 139 139 PHE CE2 C 13 130.767 0.30 . 3 . 1636 . . 139 PHE CE2 . 19290 1 1780 . 1 1 139 139 PHE CZ C 13 128.976 0.30 . 1 . 1637 . . 139 PHE CZ . 19290 1 1781 . 1 1 139 139 PHE N N 15 128.278 0.30 . 1 . 1647 . . 139 PHE N . 19290 1 1782 . 1 1 140 140 ALA H H 1 8.079 0.02 . 1 . 1651 . . 140 ALA H . 19290 1 1783 . 1 1 140 140 ALA HA H 1 4.218 0.02 . 1 . 1652 . . 140 ALA HA . 19290 1 1784 . 1 1 140 140 ALA HB1 H 1 1.440 0.02 . 1 . 1653 . . 140 ALA HB1 . 19290 1 1785 . 1 1 140 140 ALA HB2 H 1 1.440 0.02 . 1 . 1653 . . 140 ALA HB2 . 19290 1 1786 . 1 1 140 140 ALA HB3 H 1 1.440 0.02 . 1 . 1653 . . 140 ALA HB3 . 19290 1 1787 . 1 1 140 140 ALA C C 13 177.376 0.30 . 1 . 1648 . . 140 ALA C . 19290 1 1788 . 1 1 140 140 ALA CA C 13 54.044 0.30 . 1 . 1649 . . 140 ALA CA . 19290 1 1789 . 1 1 140 140 ALA CB C 13 19.541 0.30 . 1 . 1650 . . 140 ALA CB . 19290 1 1790 . 1 1 140 140 ALA N N 15 119.875 0.30 . 1 . 1654 . . 140 ALA N . 19290 1 1791 . 1 1 141 141 ASP H H 1 8.245 0.02 . 1 . 1658 . . 141 ASP H . 19290 1 1792 . 1 1 141 141 ASP HA H 1 4.828 0.02 . 1 . 1659 . . 141 ASP HA . 19290 1 1793 . 1 1 141 141 ASP HB2 H 1 2.821 0.02 . 2 . 1660 . . 141 ASP HB2 . 19290 1 1794 . 1 1 141 141 ASP HB3 H 1 2.551 0.02 . 2 . 1661 . . 141 ASP HB3 . 19290 1 1795 . 1 1 141 141 ASP C C 13 176.345 0.30 . 1 . 1655 . . 141 ASP C . 19290 1 1796 . 1 1 141 141 ASP CA C 13 52.675 0.30 . 1 . 1656 . . 141 ASP CA . 19290 1 1797 . 1 1 141 141 ASP CB C 13 43.445 0.30 . 1 . 1657 . . 141 ASP CB . 19290 1 1798 . 1 1 141 141 ASP N N 15 116.857 0.30 . 1 . 1662 . . 141 ASP N . 19290 1 1799 . 1 1 142 142 ASP H H 1 8.760 0.02 . 1 . 1666 . . 142 ASP H . 19290 1 1800 . 1 1 142 142 ASP HA H 1 4.076 0.02 . 1 . 1667 . . 142 ASP HA . 19290 1 1801 . 1 1 142 142 ASP HB2 H 1 2.547 0.02 . 2 . 1668 . . 142 ASP HB2 . 19290 1 1802 . 1 1 142 142 ASP HB3 H 1 2.403 0.02 . 2 . 1669 . . 142 ASP HB3 . 19290 1 1803 . 1 1 142 142 ASP C C 13 176.778 0.30 . 1 . 1663 . . 142 ASP C . 19290 1 1804 . 1 1 142 142 ASP CA C 13 55.961 0.30 . 1 . 1664 . . 142 ASP CA . 19290 1 1805 . 1 1 142 142 ASP CB C 13 39.956 0.30 . 1 . 1665 . . 142 ASP CB . 19290 1 1806 . 1 1 142 142 ASP N N 15 123.974 0.30 . 1 . 1670 . . 142 ASP N . 19290 1 1807 . 1 1 143 143 GLN H H 1 8.633 0.02 . 1 . 1675 . . 143 GLN H . 19290 1 1808 . 1 1 143 143 GLN HA H 1 3.997 0.02 . 1 . 1676 . . 143 GLN HA . 19290 1 1809 . 1 1 143 143 GLN HB2 H 1 2.029 0.02 . 1 . 1677 . . 143 GLN HB2 . 19290 1 1810 . 1 1 143 143 GLN HB3 H 1 2.029 0.02 . 1 . 1678 . . 143 GLN HB3 . 19290 1 1811 . 1 1 143 143 GLN HG2 H 1 2.376 0.02 . 2 . 1679 . . 143 GLN HG2 . 19290 1 1812 . 1 1 143 143 GLN HG3 H 1 2.215 0.02 . 2 . 1680 . . 143 GLN HG3 . 19290 1 1813 . 1 1 143 143 GLN HE21 H 1 7.623 0.02 . 1 . 1681 . . 143 GLN HE21 . 19290 1 1814 . 1 1 143 143 GLN HE22 H 1 6.720 0.02 . 1 . 1682 . . 143 GLN HE22 . 19290 1 1815 . 1 1 143 143 GLN C C 13 178.853 0.30 . 1 . 1671 . . 143 GLN C . 19290 1 1816 . 1 1 143 143 GLN CA C 13 58.047 0.30 . 1 . 1672 . . 143 GLN CA . 19290 1 1817 . 1 1 143 143 GLN CB C 13 28.531 0.30 . 1 . 1673 . . 143 GLN CB . 19290 1 1818 . 1 1 143 143 GLN CG C 13 34.366 0.30 . 1 . 1674 . . 143 GLN CG . 19290 1 1819 . 1 1 143 143 GLN N N 15 119.676 0.30 . 1 . 1683 . . 143 GLN N . 19290 1 1820 . 1 1 143 143 GLN NE2 N 15 112.823 0.30 . 1 . 1684 . . 143 GLN NE2 . 19290 1 1821 . 1 1 144 144 ILE H H 1 7.321 0.02 . 1 . 1691 . . 144 ILE H . 19290 1 1822 . 1 1 144 144 ILE HA H 1 3.501 0.02 . 1 . 1692 . . 144 ILE HA . 19290 1 1823 . 1 1 144 144 ILE HB H 1 1.591 0.02 . 1 . 1693 . . 144 ILE HB . 19290 1 1824 . 1 1 144 144 ILE HG12 H 1 1.332 0.02 . 2 . 1694 . . 144 ILE HG12 . 19290 1 1825 . 1 1 144 144 ILE HG13 H 1 1.216 0.02 . 2 . 1695 . . 144 ILE HG13 . 19290 1 1826 . 1 1 144 144 ILE HG21 H 1 -0.036 0.02 . 1 . 1696 . . 144 ILE HG21 . 19290 1 1827 . 1 1 144 144 ILE HG22 H 1 -0.036 0.02 . 1 . 1696 . . 144 ILE HG22 . 19290 1 1828 . 1 1 144 144 ILE HG23 H 1 -0.036 0.02 . 1 . 1696 . . 144 ILE HG23 . 19290 1 1829 . 1 1 144 144 ILE HD11 H 1 0.753 0.02 . 1 . 1697 . . 144 ILE HD11 . 19290 1 1830 . 1 1 144 144 ILE HD12 H 1 0.753 0.02 . 1 . 1697 . . 144 ILE HD12 . 19290 1 1831 . 1 1 144 144 ILE HD13 H 1 0.753 0.02 . 1 . 1697 . . 144 ILE HD13 . 19290 1 1832 . 1 1 144 144 ILE C C 13 178.241 0.30 . 1 . 1685 . . 144 ILE C . 19290 1 1833 . 1 1 144 144 ILE CA C 13 62.187 0.30 . 1 . 1686 . . 144 ILE CA . 19290 1 1834 . 1 1 144 144 ILE CB C 13 36.305 0.30 . 1 . 1687 . . 144 ILE CB . 19290 1 1835 . 1 1 144 144 ILE CG1 C 13 27.852 0.30 . 1 . 1688 . . 144 ILE CG1 . 19290 1 1836 . 1 1 144 144 ILE CG2 C 13 16.935 0.30 . 1 . 1689 . . 144 ILE CG2 . 19290 1 1837 . 1 1 144 144 ILE CD1 C 13 11.011 0.30 . 1 . 1690 . . 144 ILE CD1 . 19290 1 1838 . 1 1 144 144 ILE N N 15 121.008 0.30 . 1 . 1698 . . 144 ILE N . 19290 1 1839 . 1 1 145 145 ALA H H 1 7.190 0.02 . 1 . 1702 . . 145 ALA H . 19290 1 1840 . 1 1 145 145 ALA HA H 1 3.317 0.02 . 1 . 1703 . . 145 ALA HA . 19290 1 1841 . 1 1 145 145 ALA HB1 H 1 1.416 0.02 . 1 . 1704 . . 145 ALA HB1 . 19290 1 1842 . 1 1 145 145 ALA HB2 H 1 1.416 0.02 . 1 . 1704 . . 145 ALA HB2 . 19290 1 1843 . 1 1 145 145 ALA HB3 H 1 1.416 0.02 . 1 . 1704 . . 145 ALA HB3 . 19290 1 1844 . 1 1 145 145 ALA C C 13 178.704 0.30 . 1 . 1699 . . 145 ALA C . 19290 1 1845 . 1 1 145 145 ALA CA C 13 55.493 0.30 . 1 . 1700 . . 145 ALA CA . 19290 1 1846 . 1 1 145 145 ALA CB C 13 19.082 0.30 . 1 . 1701 . . 145 ALA CB . 19290 1 1847 . 1 1 145 145 ALA N N 15 121.786 0.30 . 1 . 1705 . . 145 ALA N . 19290 1 1848 . 1 1 146 146 GLN H H 1 7.865 0.02 . 1 . 1710 . . 146 GLN H . 19290 1 1849 . 1 1 146 146 GLN HA H 1 3.900 0.02 . 1 . 1711 . . 146 GLN HA . 19290 1 1850 . 1 1 146 146 GLN HB2 H 1 2.013 0.02 . 1 . 1712 . . 146 GLN HB2 . 19290 1 1851 . 1 1 146 146 GLN HB3 H 1 2.013 0.02 . 1 . 1713 . . 146 GLN HB3 . 19290 1 1852 . 1 1 146 146 GLN HG2 H 1 2.299 0.02 . 1 . 1714 . . 146 GLN HG2 . 19290 1 1853 . 1 1 146 146 GLN HG3 H 1 2.299 0.02 . 1 . 1715 . . 146 GLN HG3 . 19290 1 1854 . 1 1 146 146 GLN HE21 H 1 7.242 0.02 . 1 . 1716 . . 146 GLN HE21 . 19290 1 1855 . 1 1 146 146 GLN HE22 H 1 6.916 0.02 . 1 . 1717 . . 146 GLN HE22 . 19290 1 1856 . 1 1 146 146 GLN C C 13 178.256 0.30 . 1 . 1706 . . 146 GLN C . 19290 1 1857 . 1 1 146 146 GLN CA C 13 58.589 0.30 . 1 . 1707 . . 146 GLN CA . 19290 1 1858 . 1 1 146 146 GLN CB C 13 28.558 0.30 . 1 . 1708 . . 146 GLN CB . 19290 1 1859 . 1 1 146 146 GLN CG C 13 34.170 0.30 . 1 . 1709 . . 146 GLN CG . 19290 1 1860 . 1 1 146 146 GLN N N 15 113.431 0.30 . 1 . 1718 . . 146 GLN N . 19290 1 1861 . 1 1 146 146 GLN NE2 N 15 112.231 0.30 . 1 . 1719 . . 146 GLN NE2 . 19290 1 1862 . 1 1 147 147 SER H H 1 7.528 0.02 . 1 . 1723 . . 147 SER H . 19290 1 1863 . 1 1 147 147 SER HA H 1 4.155 0.02 . 1 . 1724 . . 147 SER HA . 19290 1 1864 . 1 1 147 147 SER HB2 H 1 3.858 0.02 . 1 . 1725 . . 147 SER HB2 . 19290 1 1865 . 1 1 147 147 SER HB3 H 1 3.858 0.02 . 1 . 1726 . . 147 SER HB3 . 19290 1 1866 . 1 1 147 147 SER C C 13 174.286 0.30 . 1 . 1720 . . 147 SER C . 19290 1 1867 . 1 1 147 147 SER CA C 13 60.633 0.30 . 1 . 1721 . . 147 SER CA . 19290 1 1868 . 1 1 147 147 SER CB C 13 63.113 0.30 . 1 . 1722 . . 147 SER CB . 19290 1 1869 . 1 1 147 147 SER N N 15 113.889 0.30 . 1 . 1727 . . 147 SER N . 19290 1 1870 . 1 1 148 148 LEU H H 1 7.053 0.02 . 1 . 1734 . . 148 LEU H . 19290 1 1871 . 1 1 148 148 LEU HA H 1 4.097 0.02 . 1 . 1735 . . 148 LEU HA . 19290 1 1872 . 1 1 148 148 LEU HB2 H 1 1.477 0.02 . 2 . 1736 . . 148 LEU HB2 . 19290 1 1873 . 1 1 148 148 LEU HB3 H 1 1.224 0.02 . 2 . 1737 . . 148 LEU HB3 . 19290 1 1874 . 1 1 148 148 LEU HG H 1 1.289 0.02 . 1 . 1738 . . 148 LEU HG . 19290 1 1875 . 1 1 148 148 LEU HD11 H 1 0.325 0.02 . 1 . 1739 . . 148 LEU HD11 . 19290 1 1876 . 1 1 148 148 LEU HD12 H 1 0.325 0.02 . 1 . 1739 . . 148 LEU HD12 . 19290 1 1877 . 1 1 148 148 LEU HD13 H 1 0.325 0.02 . 1 . 1739 . . 148 LEU HD13 . 19290 1 1878 . 1 1 148 148 LEU HD21 H 1 0.142 0.02 . 1 . 1740 . . 148 LEU HD21 . 19290 1 1879 . 1 1 148 148 LEU HD22 H 1 0.142 0.02 . 1 . 1740 . . 148 LEU HD22 . 19290 1 1880 . 1 1 148 148 LEU HD23 H 1 0.142 0.02 . 1 . 1740 . . 148 LEU HD23 . 19290 1 1881 . 1 1 148 148 LEU C C 13 176.405 0.30 . 1 . 1728 . . 148 LEU C . 19290 1 1882 . 1 1 148 148 LEU CA C 13 54.735 0.30 . 1 . 1729 . . 148 LEU CA . 19290 1 1883 . 1 1 148 148 LEU CB C 13 44.483 0.30 . 1 . 1730 . . 148 LEU CB . 19290 1 1884 . 1 1 148 148 LEU CG C 13 26.080 0.30 . 1 . 1731 . . 148 LEU CG . 19290 1 1885 . 1 1 148 148 LEU CD1 C 13 26.162 0.30 . 1 . 1732 . . 148 LEU CD1 . 19290 1 1886 . 1 1 148 148 LEU CD2 C 13 21.838 0.30 . 1 . 1733 . . 148 LEU CD2 . 19290 1 1887 . 1 1 148 148 LEU N N 15 119.968 0.30 . 1 . 1741 . . 148 LEU N . 19290 1 1888 . 1 1 149 149 CYS H H 1 7.111 0.02 . 1 . 1745 . . 149 CYS H . 19290 1 1889 . 1 1 149 149 CYS HA H 1 3.524 0.02 . 1 . 1746 . . 149 CYS HA . 19290 1 1890 . 1 1 149 149 CYS HB2 H 1 2.887 0.02 . 2 . 1747 . . 149 CYS HB2 . 19290 1 1891 . 1 1 149 149 CYS HB3 H 1 2.691 0.02 . 2 . 1748 . . 149 CYS HB3 . 19290 1 1892 . 1 1 149 149 CYS C C 13 175.437 0.30 . 1 . 1742 . . 149 CYS C . 19290 1 1893 . 1 1 149 149 CYS CA C 13 63.302 0.30 . 1 . 1743 . . 149 CYS CA . 19290 1 1894 . 1 1 149 149 CYS CB C 13 26.721 0.30 . 1 . 1744 . . 149 CYS CB . 19290 1 1895 . 1 1 149 149 CYS N N 15 116.451 0.30 . 1 . 1749 . . 149 CYS N . 19290 1 1896 . 1 1 150 150 GLY H H 1 8.848 0.02 . 1 . 1752 . . 150 GLY H . 19290 1 1897 . 1 1 150 150 GLY HA2 H 1 4.387 0.02 . 2 . 1753 . . 150 GLY HA2 . 19290 1 1898 . 1 1 150 150 GLY HA3 H 1 3.649 0.02 . 2 . 1754 . . 150 GLY HA3 . 19290 1 1899 . 1 1 150 150 GLY C C 13 174.047 0.30 . 1 . 1750 . . 150 GLY C . 19290 1 1900 . 1 1 150 150 GLY CA C 13 44.952 0.30 . 1 . 1751 . . 150 GLY CA . 19290 1 1901 . 1 1 150 150 GLY N N 15 114.865 0.30 . 1 . 1755 . . 150 GLY N . 19290 1 1902 . 1 1 151 151 GLU H H 1 7.666 0.02 . 1 . 1760 . . 151 GLU H . 19290 1 1903 . 1 1 151 151 GLU HA H 1 4.290 0.02 . 1 . 1761 . . 151 GLU HA . 19290 1 1904 . 1 1 151 151 GLU HB2 H 1 1.893 0.02 . 1 . 1762 . . 151 GLU HB2 . 19290 1 1905 . 1 1 151 151 GLU HB3 H 1 1.893 0.02 . 1 . 1763 . . 151 GLU HB3 . 19290 1 1906 . 1 1 151 151 GLU HG2 H 1 2.181 0.02 . 2 . 1764 . . 151 GLU HG2 . 19290 1 1907 . 1 1 151 151 GLU HG3 H 1 1.953 0.02 . 2 . 1765 . . 151 GLU HG3 . 19290 1 1908 . 1 1 151 151 GLU C C 13 175.375 0.30 . 1 . 1756 . . 151 GLU C . 19290 1 1909 . 1 1 151 151 GLU CA C 13 55.874 0.30 . 1 . 1757 . . 151 GLU CA . 19290 1 1910 . 1 1 151 151 GLU CB C 13 30.490 0.30 . 1 . 1758 . . 151 GLU CB . 19290 1 1911 . 1 1 151 151 GLU CG C 13 36.272 0.30 . 1 . 1759 . . 151 GLU CG . 19290 1 1912 . 1 1 151 151 GLU N N 15 119.233 0.30 . 1 . 1766 . . 151 GLU N . 19290 1 1913 . 1 1 152 152 ASP H H 1 8.299 0.02 . 1 . 1770 . . 152 ASP H . 19290 1 1914 . 1 1 152 152 ASP HA H 1 5.878 0.02 . 1 . 1771 . . 152 ASP HA . 19290 1 1915 . 1 1 152 152 ASP HB2 H 1 2.426 0.02 . 2 . 1772 . . 152 ASP HB2 . 19290 1 1916 . 1 1 152 152 ASP HB3 H 1 2.378 0.02 . 2 . 1773 . . 152 ASP HB3 . 19290 1 1917 . 1 1 152 152 ASP C C 13 173.912 0.30 . 1 . 1767 . . 152 ASP C . 19290 1 1918 . 1 1 152 152 ASP CA C 13 53.351 0.30 . 1 . 1768 . . 152 ASP CA . 19290 1 1919 . 1 1 152 152 ASP CB C 13 42.707 0.30 . 1 . 1769 . . 152 ASP CB . 19290 1 1920 . 1 1 152 152 ASP N N 15 119.142 0.30 . 1 . 1774 . . 152 ASP N . 19290 1 1921 . 1 1 153 153 LEU H H 1 8.734 0.02 . 1 . 1781 . . 153 LEU H . 19290 1 1922 . 1 1 153 153 LEU HA H 1 4.792 0.02 . 1 . 1782 . . 153 LEU HA . 19290 1 1923 . 1 1 153 153 LEU HB2 H 1 1.438 0.02 . 2 . 1783 . . 153 LEU HB2 . 19290 1 1924 . 1 1 153 153 LEU HB3 H 1 1.286 0.02 . 2 . 1784 . . 153 LEU HB3 . 19290 1 1925 . 1 1 153 153 LEU HG H 1 0.975 0.02 . 1 . 1785 . . 153 LEU HG . 19290 1 1926 . 1 1 153 153 LEU HD11 H 1 0.971 0.02 . 1 . 1786 . . 153 LEU HD11 . 19290 1 1927 . 1 1 153 153 LEU HD12 H 1 0.971 0.02 . 1 . 1786 . . 153 LEU HD12 . 19290 1 1928 . 1 1 153 153 LEU HD13 H 1 0.971 0.02 . 1 . 1786 . . 153 LEU HD13 . 19290 1 1929 . 1 1 153 153 LEU HD21 H 1 0.951 0.02 . 1 . 1787 . . 153 LEU HD21 . 19290 1 1930 . 1 1 153 153 LEU HD22 H 1 0.951 0.02 . 1 . 1787 . . 153 LEU HD22 . 19290 1 1931 . 1 1 153 153 LEU HD23 H 1 0.951 0.02 . 1 . 1787 . . 153 LEU HD23 . 19290 1 1932 . 1 1 153 153 LEU C C 13 174.674 0.30 . 1 . 1775 . . 153 LEU C . 19290 1 1933 . 1 1 153 153 LEU CA C 13 52.673 0.30 . 1 . 1776 . . 153 LEU CA . 19290 1 1934 . 1 1 153 153 LEU CB C 13 45.422 0.30 . 1 . 1777 . . 153 LEU CB . 19290 1 1935 . 1 1 153 153 LEU CG C 13 26.982 0.30 . 1 . 1778 . . 153 LEU CG . 19290 1 1936 . 1 1 153 153 LEU CD1 C 13 26.927 0.30 . 1 . 1779 . . 153 LEU CD1 . 19290 1 1937 . 1 1 153 153 LEU CD2 C 13 22.901 0.30 . 1 . 1780 . . 153 LEU CD2 . 19290 1 1938 . 1 1 153 153 LEU N N 15 123.959 0.30 . 1 . 1788 . . 153 LEU N . 19290 1 1939 . 1 1 154 154 ILE H H 1 8.148 0.02 . 1 . 1795 . . 154 ILE H . 19290 1 1940 . 1 1 154 154 ILE HA H 1 4.587 0.02 . 1 . 1796 . . 154 ILE HA . 19290 1 1941 . 1 1 154 154 ILE HB H 1 1.646 0.02 . 1 . 1797 . . 154 ILE HB . 19290 1 1942 . 1 1 154 154 ILE HG12 H 1 1.201 0.02 . 2 . 1798 . . 154 ILE HG12 . 19290 1 1943 . 1 1 154 154 ILE HG13 H 1 0.841 0.02 . 2 . 1799 . . 154 ILE HG13 . 19290 1 1944 . 1 1 154 154 ILE HG21 H 1 0.462 0.02 . 1 . 1800 . . 154 ILE HG21 . 19290 1 1945 . 1 1 154 154 ILE HG22 H 1 0.462 0.02 . 1 . 1800 . . 154 ILE HG22 . 19290 1 1946 . 1 1 154 154 ILE HG23 H 1 0.462 0.02 . 1 . 1800 . . 154 ILE HG23 . 19290 1 1947 . 1 1 154 154 ILE HD11 H 1 0.521 0.02 . 1 . 1801 . . 154 ILE HD11 . 19290 1 1948 . 1 1 154 154 ILE HD12 H 1 0.521 0.02 . 1 . 1801 . . 154 ILE HD12 . 19290 1 1949 . 1 1 154 154 ILE HD13 H 1 0.521 0.02 . 1 . 1801 . . 154 ILE HD13 . 19290 1 1950 . 1 1 154 154 ILE C C 13 174.614 0.30 . 1 . 1789 . . 154 ILE C . 19290 1 1951 . 1 1 154 154 ILE CA C 13 59.082 0.30 . 1 . 1790 . . 154 ILE CA . 19290 1 1952 . 1 1 154 154 ILE CB C 13 37.011 0.30 . 1 . 1791 . . 154 ILE CB . 19290 1 1953 . 1 1 154 154 ILE CG1 C 13 27.477 0.30 . 1 . 1792 . . 154 ILE CG1 . 19290 1 1954 . 1 1 154 154 ILE CG2 C 13 17.251 0.30 . 1 . 1793 . . 154 ILE CG2 . 19290 1 1955 . 1 1 154 154 ILE CD1 C 13 12.537 0.30 . 1 . 1794 . . 154 ILE CD1 . 19290 1 1956 . 1 1 154 154 ILE N N 15 119.836 0.30 . 1 . 1802 . . 154 ILE N . 19290 1 1957 . 1 1 155 155 ILE H H 1 8.686 0.02 . 1 . 1809 . . 155 ILE H . 19290 1 1958 . 1 1 155 155 ILE HA H 1 3.573 0.02 . 1 . 1810 . . 155 ILE HA . 19290 1 1959 . 1 1 155 155 ILE HB H 1 0.946 0.02 . 1 . 1811 . . 155 ILE HB . 19290 1 1960 . 1 1 155 155 ILE HG12 H 1 0.534 0.02 . 2 . 1812 . . 155 ILE HG12 . 19290 1 1961 . 1 1 155 155 ILE HG13 H 1 -1.282 0.02 . 2 . 1813 . . 155 ILE HG13 . 19290 1 1962 . 1 1 155 155 ILE HG21 H 1 0.277 0.02 . 1 . 1814 . . 155 ILE HG21 . 19290 1 1963 . 1 1 155 155 ILE HG22 H 1 0.277 0.02 . 1 . 1814 . . 155 ILE HG22 . 19290 1 1964 . 1 1 155 155 ILE HG23 H 1 0.277 0.02 . 1 . 1814 . . 155 ILE HG23 . 19290 1 1965 . 1 1 155 155 ILE HD11 H 1 0.054 0.02 . 1 . 1815 . . 155 ILE HD11 . 19290 1 1966 . 1 1 155 155 ILE HD12 H 1 0.054 0.02 . 1 . 1815 . . 155 ILE HD12 . 19290 1 1967 . 1 1 155 155 ILE HD13 H 1 0.054 0.02 . 1 . 1815 . . 155 ILE HD13 . 19290 1 1968 . 1 1 155 155 ILE C C 13 174.972 0.30 . 1 . 1803 . . 155 ILE C . 19290 1 1969 . 1 1 155 155 ILE CA C 13 60.169 0.30 . 1 . 1804 . . 155 ILE CA . 19290 1 1970 . 1 1 155 155 ILE CB C 13 39.189 0.30 . 1 . 1805 . . 155 ILE CB . 19290 1 1971 . 1 1 155 155 ILE CG1 C 13 24.413 0.30 . 1 . 1806 . . 155 ILE CG1 . 19290 1 1972 . 1 1 155 155 ILE CG2 C 13 14.959 0.30 . 1 . 1807 . . 155 ILE CG2 . 19290 1 1973 . 1 1 155 155 ILE CD1 C 13 15.426 0.30 . 1 . 1808 . . 155 ILE CD1 . 19290 1 1974 . 1 1 155 155 ILE N N 15 127.535 0.30 . 1 . 1816 . . 155 ILE N . 19290 1 1975 . 1 1 156 156 LYS H H 1 8.965 0.02 . 1 . 1823 . . 156 LYS H . 19290 1 1976 . 1 1 156 156 LYS HA H 1 3.622 0.02 . 1 . 1824 . . 156 LYS HA . 19290 1 1977 . 1 1 156 156 LYS HB2 H 1 1.907 0.02 . 2 . 1825 . . 156 LYS HB2 . 19290 1 1978 . 1 1 156 156 LYS HB3 H 1 1.525 0.02 . 2 . 1826 . . 156 LYS HB3 . 19290 1 1979 . 1 1 156 156 LYS HG2 H 1 1.326 0.02 . 2 . 1827 . . 156 LYS HG2 . 19290 1 1980 . 1 1 156 156 LYS HG3 H 1 1.219 0.02 . 2 . 1828 . . 156 LYS HG3 . 19290 1 1981 . 1 1 156 156 LYS HD2 H 1 1.251 0.02 . 1 . 1829 . . 156 LYS HD2 . 19290 1 1982 . 1 1 156 156 LYS HD3 H 1 1.251 0.02 . 1 . 1830 . . 156 LYS HD3 . 19290 1 1983 . 1 1 156 156 LYS HE2 H 1 2.746 0.02 . 1 . 1831 . . 156 LYS HE2 . 19290 1 1984 . 1 1 156 156 LYS HE3 H 1 2.746 0.02 . 1 . 1832 . . 156 LYS HE3 . 19290 1 1985 . 1 1 156 156 LYS C C 13 176.316 0.30 . 1 . 1817 . . 156 LYS C . 19290 1 1986 . 1 1 156 156 LYS CA C 13 57.021 0.30 . 1 . 1818 . . 156 LYS CA . 19290 1 1987 . 1 1 156 156 LYS CB C 13 30.761 0.30 . 1 . 1819 . . 156 LYS CB . 19290 1 1988 . 1 1 156 156 LYS CG C 13 25.101 0.30 . 1 . 1820 . . 156 LYS CG . 19290 1 1989 . 1 1 156 156 LYS CD C 13 29.557 0.30 . 1 . 1821 . . 156 LYS CD . 19290 1 1990 . 1 1 156 156 LYS CE C 13 41.398 0.30 . 1 . 1822 . . 156 LYS CE . 19290 1 1991 . 1 1 156 156 LYS N N 15 125.324 0.30 . 1 . 1833 . . 156 LYS N . 19290 1 1992 . 1 1 157 157 GLY H H 1 7.759 0.02 . 1 . 1836 . . 157 GLY H . 19290 1 1993 . 1 1 157 157 GLY HA2 H 1 3.961 0.02 . 2 . 1837 . . 157 GLY HA2 . 19290 1 1994 . 1 1 157 157 GLY HA3 H 1 3.296 0.02 . 2 . 1838 . . 157 GLY HA3 . 19290 1 1995 . 1 1 157 157 GLY C C 13 172.748 0.30 . 1 . 1834 . . 157 GLY C . 19290 1 1996 . 1 1 157 157 GLY CA C 13 45.149 0.30 . 1 . 1835 . . 157 GLY CA . 19290 1 1997 . 1 1 157 157 GLY N N 15 101.560 0.30 . 1 . 1839 . . 157 GLY N . 19290 1 1998 . 1 1 158 158 ILE H H 1 7.935 0.02 . 1 . 1846 . . 158 ILE H . 19290 1 1999 . 1 1 158 158 ILE HA H 1 4.012 0.02 . 1 . 1847 . . 158 ILE HA . 19290 1 2000 . 1 1 158 158 ILE HB H 1 2.003 0.02 . 1 . 1848 . . 158 ILE HB . 19290 1 2001 . 1 1 158 158 ILE HG12 H 1 1.316 0.02 . 2 . 1849 . . 158 ILE HG12 . 19290 1 2002 . 1 1 158 158 ILE HG13 H 1 1.255 0.02 . 2 . 1850 . . 158 ILE HG13 . 19290 1 2003 . 1 1 158 158 ILE HG21 H 1 0.733 0.02 . 1 . 1851 . . 158 ILE HG21 . 19290 1 2004 . 1 1 158 158 ILE HG22 H 1 0.733 0.02 . 1 . 1851 . . 158 ILE HG22 . 19290 1 2005 . 1 1 158 158 ILE HG23 H 1 0.733 0.02 . 1 . 1851 . . 158 ILE HG23 . 19290 1 2006 . 1 1 158 158 ILE HD11 H 1 0.659 0.02 . 1 . 1852 . . 158 ILE HD11 . 19290 1 2007 . 1 1 158 158 ILE HD12 H 1 0.659 0.02 . 1 . 1852 . . 158 ILE HD12 . 19290 1 2008 . 1 1 158 158 ILE HD13 H 1 0.659 0.02 . 1 . 1852 . . 158 ILE HD13 . 19290 1 2009 . 1 1 158 158 ILE C C 13 174.610 0.30 . 1 . 1840 . . 158 ILE C . 19290 1 2010 . 1 1 158 158 ILE CA C 13 57.831 0.30 . 1 . 1841 . . 158 ILE CA . 19290 1 2011 . 1 1 158 158 ILE CB C 13 37.695 0.30 . 1 . 1842 . . 158 ILE CB . 19290 1 2012 . 1 1 158 158 ILE CG1 C 13 25.625 0.30 . 1 . 1843 . . 158 ILE CG1 . 19290 1 2013 . 1 1 158 158 ILE CG2 C 13 17.567 0.30 . 1 . 1844 . . 158 ILE CG2 . 19290 1 2014 . 1 1 158 158 ILE CD1 C 13 10.110 0.30 . 1 . 1845 . . 158 ILE CD1 . 19290 1 2015 . 1 1 158 158 ILE N N 15 122.717 0.30 . 1 . 1853 . . 158 ILE N . 19290 1 2016 . 1 1 159 159 SER H H 1 7.821 0.02 . 1 . 1857 . . 159 SER H . 19290 1 2017 . 1 1 159 159 SER HA H 1 4.929 0.02 . 1 . 1858 . . 159 SER HA . 19290 1 2018 . 1 1 159 159 SER HB2 H 1 3.592 0.02 . 2 . 1859 . . 159 SER HB2 . 19290 1 2019 . 1 1 159 159 SER HB3 H 1 3.405 0.02 . 2 . 1860 . . 159 SER HB3 . 19290 1 2020 . 1 1 159 159 SER C C 13 175.420 0.30 . 1 . 1854 . . 159 SER C . 19290 1 2021 . 1 1 159 159 SER CA C 13 55.637 0.30 . 1 . 1855 . . 159 SER CA . 19290 1 2022 . 1 1 159 159 SER CB C 13 62.462 0.30 . 1 . 1856 . . 159 SER CB . 19290 1 2023 . 1 1 159 159 SER N N 15 117.296 0.30 . 1 . 1861 . . 159 SER N . 19290 1 2024 . 1 1 160 160 VAL H H 1 9.376 0.02 . 1 . 1867 . . 160 VAL H . 19290 1 2025 . 1 1 160 160 VAL HA H 1 4.808 0.02 . 1 . 1868 . . 160 VAL HA . 19290 1 2026 . 1 1 160 160 VAL HB H 1 2.274 0.02 . 1 . 1869 . . 160 VAL HB . 19290 1 2027 . 1 1 160 160 VAL HG11 H 1 0.504 0.02 . 1 . 1870 . . 160 VAL HG11 . 19290 1 2028 . 1 1 160 160 VAL HG12 H 1 0.504 0.02 . 1 . 1870 . . 160 VAL HG12 . 19290 1 2029 . 1 1 160 160 VAL HG13 H 1 0.504 0.02 . 1 . 1870 . . 160 VAL HG13 . 19290 1 2030 . 1 1 160 160 VAL HG21 H 1 0.524 0.02 . 1 . 1871 . . 160 VAL HG21 . 19290 1 2031 . 1 1 160 160 VAL HG22 H 1 0.524 0.02 . 1 . 1871 . . 160 VAL HG22 . 19290 1 2032 . 1 1 160 160 VAL HG23 H 1 0.524 0.02 . 1 . 1871 . . 160 VAL HG23 . 19290 1 2033 . 1 1 160 160 VAL C C 13 173.825 0.30 . 1 . 1862 . . 160 VAL C . 19290 1 2034 . 1 1 160 160 VAL CA C 13 59.349 0.30 . 1 . 1863 . . 160 VAL CA . 19290 1 2035 . 1 1 160 160 VAL CB C 13 32.560 0.30 . 1 . 1864 . . 160 VAL CB . 19290 1 2036 . 1 1 160 160 VAL CG1 C 13 20.653 0.30 . 1 . 1865 . . 160 VAL CG1 . 19290 1 2037 . 1 1 160 160 VAL CG2 C 13 17.878 0.30 . 1 . 1866 . . 160 VAL CG2 . 19290 1 2038 . 1 1 160 160 VAL N N 15 127.570 0.30 . 1 . 1872 . . 160 VAL N . 19290 1 2039 . 1 1 161 161 HIS H H 1 7.822 0.02 . 1 . 1878 . . 161 HIS H . 19290 1 2040 . 1 1 161 161 HIS HA H 1 5.472 0.02 . 1 . 1879 . . 161 HIS HA . 19290 1 2041 . 1 1 161 161 HIS HB2 H 1 2.841 0.02 . 2 . 1880 . . 161 HIS HB2 . 19290 1 2042 . 1 1 161 161 HIS HB3 H 1 2.602 0.02 . 2 . 1881 . . 161 HIS HB3 . 19290 1 2043 . 1 1 161 161 HIS HD2 H 1 6.783 0.02 . 1 . 1882 . . 161 HIS HD2 . 19290 1 2044 . 1 1 161 161 HIS HE1 H 1 7.353 0.02 . 1 . 1883 . . 161 HIS HE1 . 19290 1 2045 . 1 1 161 161 HIS C C 13 173.345 0.30 . 1 . 1873 . . 161 HIS C . 19290 1 2046 . 1 1 161 161 HIS CA C 13 53.766 0.30 . 1 . 1874 . . 161 HIS CA . 19290 1 2047 . 1 1 161 161 HIS CB C 13 31.564 0.30 . 1 . 1875 . . 161 HIS CB . 19290 1 2048 . 1 1 161 161 HIS CD2 C 13 120.563 0.30 . 1 . 1876 . . 161 HIS CD2 . 19290 1 2049 . 1 1 161 161 HIS CE1 C 13 138.816 0.30 . 1 . 1877 . . 161 HIS CE1 . 19290 1 2050 . 1 1 161 161 HIS N N 15 117.506 0.30 . 1 . 1884 . . 161 HIS N . 19290 1 2051 . 1 1 162 162 ILE H H 1 7.973 0.02 . 1 . 1891 . . 162 ILE H . 19290 1 2052 . 1 1 162 162 ILE HA H 1 5.145 0.02 . 1 . 1892 . . 162 ILE HA . 19290 1 2053 . 1 1 162 162 ILE HB H 1 2.290 0.02 . 1 . 1893 . . 162 ILE HB . 19290 1 2054 . 1 1 162 162 ILE HG12 H 1 1.188 0.02 . 1 . 1894 . . 162 ILE HG12 . 19290 1 2055 . 1 1 162 162 ILE HG13 H 1 1.188 0.02 . 1 . 1895 . . 162 ILE HG13 . 19290 1 2056 . 1 1 162 162 ILE HG21 H 1 0.762 0.02 . 1 . 1896 . . 162 ILE HG21 . 19290 1 2057 . 1 1 162 162 ILE HG22 H 1 0.762 0.02 . 1 . 1896 . . 162 ILE HG22 . 19290 1 2058 . 1 1 162 162 ILE HG23 H 1 0.762 0.02 . 1 . 1896 . . 162 ILE HG23 . 19290 1 2059 . 1 1 162 162 ILE HD11 H 1 0.793 0.02 . 1 . 1897 . . 162 ILE HD11 . 19290 1 2060 . 1 1 162 162 ILE HD12 H 1 0.793 0.02 . 1 . 1897 . . 162 ILE HD12 . 19290 1 2061 . 1 1 162 162 ILE HD13 H 1 0.793 0.02 . 1 . 1897 . . 162 ILE HD13 . 19290 1 2062 . 1 1 162 162 ILE C C 13 175.823 0.30 . 1 . 1885 . . 162 ILE C . 19290 1 2063 . 1 1 162 162 ILE CA C 13 57.700 0.30 . 1 . 1886 . . 162 ILE CA . 19290 1 2064 . 1 1 162 162 ILE CB C 13 35.013 0.30 . 1 . 1887 . . 162 ILE CB . 19290 1 2065 . 1 1 162 162 ILE CG1 C 13 27.515 0.30 . 1 . 1888 . . 162 ILE CG1 . 19290 1 2066 . 1 1 162 162 ILE CG2 C 13 18.232 0.30 . 1 . 1889 . . 162 ILE CG2 . 19290 1 2067 . 1 1 162 162 ILE CD1 C 13 11.913 0.30 . 1 . 1890 . . 162 ILE CD1 . 19290 1 2068 . 1 1 162 162 ILE N N 15 128.178 0.30 . 1 . 1898 . . 162 ILE N . 19290 1 2069 . 1 1 163 163 SER H H 1 9.428 0.02 . 1 . 1902 . . 163 SER H . 19290 1 2070 . 1 1 163 163 SER HA H 1 4.901 0.02 . 1 . 1903 . . 163 SER HA . 19290 1 2071 . 1 1 163 163 SER HB2 H 1 3.981 0.02 . 2 . 1904 . . 163 SER HB2 . 19290 1 2072 . 1 1 163 163 SER HB3 H 1 3.908 0.02 . 2 . 1905 . . 163 SER HB3 . 19290 1 2073 . 1 1 163 163 SER C C 13 173.091 0.30 . 1 . 1899 . . 163 SER C . 19290 1 2074 . 1 1 163 163 SER CA C 13 56.536 0.30 . 1 . 1900 . . 163 SER CA . 19290 1 2075 . 1 1 163 163 SER CB C 13 66.169 0.30 . 1 . 1901 . . 163 SER CB . 19290 1 2076 . 1 1 163 163 SER N N 15 121.665 0.30 . 1 . 1906 . . 163 SER N . 19290 1 2077 . 1 1 164 164 ASN H H 1 8.480 0.02 . 1 . 1910 . . 164 ASN H . 19290 1 2078 . 1 1 164 164 ASN HA H 1 4.717 0.02 . 1 . 1911 . . 164 ASN HA . 19290 1 2079 . 1 1 164 164 ASN HB2 H 1 2.647 0.02 . 1 . 1912 . . 164 ASN HB2 . 19290 1 2080 . 1 1 164 164 ASN HB3 H 1 2.647 0.02 . 1 . 1913 . . 164 ASN HB3 . 19290 1 2081 . 1 1 164 164 ASN HD21 H 1 7.754 0.02 . 1 . 1914 . . 164 ASN HD21 . 19290 1 2082 . 1 1 164 164 ASN HD22 H 1 7.186 0.02 . 1 . 1915 . . 164 ASN HD22 . 19290 1 2083 . 1 1 164 164 ASN C C 13 175.808 0.30 . 1 . 1907 . . 164 ASN C . 19290 1 2084 . 1 1 164 164 ASN CA C 13 54.451 0.30 . 1 . 1908 . . 164 ASN CA . 19290 1 2085 . 1 1 164 164 ASN CB C 13 39.188 0.30 . 1 . 1909 . . 164 ASN CB . 19290 1 2086 . 1 1 164 164 ASN N N 15 118.110 0.30 . 1 . 1916 . . 164 ASN N . 19290 1 2087 . 1 1 164 164 ASN ND2 N 15 114.367 0.30 . 1 . 1917 . . 164 ASN ND2 . 19290 1 2088 . 1 1 165 165 ALA H H 1 8.725 0.02 . 1 . 1921 . . 165 ALA H . 19290 1 2089 . 1 1 165 165 ALA HA H 1 4.715 0.02 . 1 . 1922 . . 165 ALA HA . 19290 1 2090 . 1 1 165 165 ALA HB1 H 1 1.166 0.02 . 1 . 1923 . . 165 ALA HB1 . 19290 1 2091 . 1 1 165 165 ALA HB2 H 1 1.166 0.02 . 1 . 1923 . . 165 ALA HB2 . 19290 1 2092 . 1 1 165 165 ALA HB3 H 1 1.166 0.02 . 1 . 1923 . . 165 ALA HB3 . 19290 1 2093 . 1 1 165 165 ALA C C 13 176.838 0.30 . 1 . 1918 . . 165 ALA C . 19290 1 2094 . 1 1 165 165 ALA CA C 13 51.612 0.30 . 1 . 1919 . . 165 ALA CA . 19290 1 2095 . 1 1 165 165 ALA CB C 13 19.080 0.30 . 1 . 1920 . . 165 ALA CB . 19290 1 2096 . 1 1 165 165 ALA N N 15 124.718 0.30 . 1 . 1924 . . 165 ALA N . 19290 1 2097 . 1 1 166 166 GLU H H 1 8.493 0.02 . 1 . 1928 . . 166 GLU H . 19290 1 2098 . 1 1 166 166 GLU HA H 1 4.406 0.02 . 1 . 1929 . . 166 GLU HA . 19290 1 2099 . 1 1 166 166 GLU HB2 H 1 1.870 0.02 . 2 . 1930 . . 166 GLU HB2 . 19290 1 2100 . 1 1 166 166 GLU HB3 H 1 1.558 0.02 . 2 . 1931 . . 166 GLU HB3 . 19290 1 2101 . 1 1 166 166 GLU HG2 H 1 2.045 0.02 . 1 . 1932 . . 166 GLU HG2 . 19290 1 2102 . 1 1 166 166 GLU HG3 H 1 2.045 0.02 . 1 . 1933 . . 166 GLU HG3 . 19290 1 2103 . 1 1 166 166 GLU CA C 13 53.869 0.30 . 1 . 1925 . . 166 GLU CA . 19290 1 2104 . 1 1 166 166 GLU CB C 13 29.246 0.30 . 1 . 1926 . . 166 GLU CB . 19290 1 2105 . 1 1 166 166 GLU CG C 13 35.543 0.30 . 1 . 1927 . . 166 GLU CG . 19290 1 2106 . 1 1 166 166 GLU N N 15 126.444 0.30 . 1 . 1934 . . 166 GLU N . 19290 1 2107 . 1 1 167 167 PRO HA H 1 4.308 0.02 . 1 . 1940 . . 167 PRO HA . 19290 1 2108 . 1 1 167 167 PRO HB2 H 1 2.137 0.02 . 2 . 1941 . . 167 PRO HB2 . 19290 1 2109 . 1 1 167 167 PRO HB3 H 1 1.642 0.02 . 2 . 1942 . . 167 PRO HB3 . 19290 1 2110 . 1 1 167 167 PRO HG2 H 1 1.910 0.02 . 1 . 1943 . . 167 PRO HG2 . 19290 1 2111 . 1 1 167 167 PRO HG3 H 1 1.910 0.02 . 1 . 1944 . . 167 PRO HG3 . 19290 1 2112 . 1 1 167 167 PRO HD2 H 1 3.742 0.02 . 2 . 1945 . . 167 PRO HD2 . 19290 1 2113 . 1 1 167 167 PRO HD3 H 1 3.577 0.02 . 2 . 1946 . . 167 PRO HD3 . 19290 1 2114 . 1 1 167 167 PRO C C 13 176.331 0.30 . 1 . 1935 . . 167 PRO C . 19290 1 2115 . 1 1 167 167 PRO CA C 13 62.913 0.30 . 1 . 1936 . . 167 PRO CA . 19290 1 2116 . 1 1 167 167 PRO CB C 13 31.718 0.30 . 1 . 1937 . . 167 PRO CB . 19290 1 2117 . 1 1 167 167 PRO CG C 13 27.448 0.30 . 1 . 1938 . . 167 PRO CG . 19290 1 2118 . 1 1 167 167 PRO CD C 13 50.473 0.30 . 1 . 1939 . . 167 PRO CD . 19290 1 2119 . 1 1 168 168 LYS H H 1 8.242 0.02 . 1 . 1952 . . 168 LYS H . 19290 1 2120 . 1 1 168 168 LYS HA H 1 3.911 0.02 . 1 . 1953 . . 168 LYS HA . 19290 1 2121 . 1 1 168 168 LYS HB2 H 1 1.425 0.02 . 2 . 1954 . . 168 LYS HB2 . 19290 1 2122 . 1 1 168 168 LYS HB3 H 1 1.188 0.02 . 2 . 1955 . . 168 LYS HB3 . 19290 1 2123 . 1 1 168 168 LYS HG2 H 1 0.810 0.02 . 2 . 1956 . . 168 LYS HG2 . 19290 1 2124 . 1 1 168 168 LYS HG3 H 1 0.692 0.02 . 2 . 1957 . . 168 LYS HG3 . 19290 1 2125 . 1 1 168 168 LYS HD2 H 1 1.132 0.02 . 1 . 1958 . . 168 LYS HD2 . 19290 1 2126 . 1 1 168 168 LYS HD3 H 1 1.132 0.02 . 1 . 1959 . . 168 LYS HD3 . 19290 1 2127 . 1 1 168 168 LYS HE2 H 1 2.224 0.02 . 1 . 1960 . . 168 LYS HE2 . 19290 1 2128 . 1 1 168 168 LYS HE3 H 1 2.224 0.02 . 1 . 1961 . . 168 LYS HE3 . 19290 1 2129 . 1 1 168 168 LYS CA C 13 56.869 0.30 . 1 . 1947 . . 168 LYS CA . 19290 1 2130 . 1 1 168 168 LYS CB C 13 32.795 0.30 . 1 . 1948 . . 168 LYS CB . 19290 1 2131 . 1 1 168 168 LYS CG C 13 25.028 0.30 . 1 . 1949 . . 168 LYS CG . 19290 1 2132 . 1 1 168 168 LYS CD C 13 29.007 0.30 . 1 . 1950 . . 168 LYS CD . 19290 1 2133 . 1 1 168 168 LYS CE C 13 41.256 0.30 . 1 . 1951 . . 168 LYS CE . 19290 1 2134 . 1 1 168 168 LYS N N 15 121.602 0.30 . 1 . 1962 . . 168 LYS N . 19290 1 2135 . 1 1 169 169 HIS HA H 1 4.474 0.02 . 1 . 1967 . . 169 HIS HA . 19290 1 2136 . 1 1 169 169 HIS HB2 H 1 3.012 0.02 . 1 . 1968 . . 169 HIS HB2 . 19290 1 2137 . 1 1 169 169 HIS HB3 H 1 3.012 0.02 . 1 . 1969 . . 169 HIS HB3 . 19290 1 2138 . 1 1 169 169 HIS HD2 H 1 6.972 0.02 . 1 . 1970 . . 169 HIS HD2 . 19290 1 2139 . 1 1 169 169 HIS HE1 H 1 7.938 0.02 . 1 . 1971 . . 169 HIS HE1 . 19290 1 2140 . 1 1 169 169 HIS CA C 13 55.754 0.30 . 1 . 1963 . . 169 HIS CA . 19290 1 2141 . 1 1 169 169 HIS CB C 13 29.567 0.30 . 1 . 1964 . . 169 HIS CB . 19290 1 2142 . 1 1 169 169 HIS CD2 C 13 119.813 0.30 . 1 . 1965 . . 169 HIS CD2 . 19290 1 2143 . 1 1 169 169 HIS CE1 C 13 137.953 0.30 . 1 . 1966 . . 169 HIS CE1 . 19290 1 2144 . 1 1 170 170 ASN HA H 1 4.580 0.02 . 1 . 1975 . . 170 ASN HA . 19290 1 2145 . 1 1 170 170 ASN HB2 H 1 2.695 0.02 . 2 . 1976 . . 170 ASN HB2 . 19290 1 2146 . 1 1 170 170 ASN HB3 H 1 2.626 0.02 . 2 . 1977 . . 170 ASN HB3 . 19290 1 2147 . 1 1 170 170 ASN HD21 H 1 7.512 0.02 . 1 . 1978 . . 170 ASN HD21 . 19290 1 2148 . 1 1 170 170 ASN HD22 H 1 6.817 0.02 . 1 . 1979 . . 170 ASN HD22 . 19290 1 2149 . 1 1 170 170 ASN C C 13 175.137 0.30 . 1 . 1972 . . 170 ASN C . 19290 1 2150 . 1 1 170 170 ASN CA C 13 53.055 0.30 . 1 . 1973 . . 170 ASN CA . 19290 1 2151 . 1 1 170 170 ASN CB C 13 38.693 0.30 . 1 . 1974 . . 170 ASN CB . 19290 1 2152 . 1 1 170 170 ASN ND2 N 15 112.238 0.30 . 1 . 1980 . . 170 ASN ND2 . 19290 1 2153 . 1 1 171 171 SER H H 1 8.263 0.02 . 1 . 1984 . . 171 SER H . 19290 1 2154 . 1 1 171 171 SER HA H 1 4.280 0.02 . 1 . 1985 . . 171 SER HA . 19290 1 2155 . 1 1 171 171 SER HB2 H 1 3.782 0.02 . 1 . 1986 . . 171 SER HB2 . 19290 1 2156 . 1 1 171 171 SER HB3 H 1 3.782 0.02 . 1 . 1987 . . 171 SER HB3 . 19290 1 2157 . 1 1 171 171 SER C C 13 174.823 0.30 . 1 . 1981 . . 171 SER C . 19290 1 2158 . 1 1 171 171 SER CA C 13 57.938 0.30 . 1 . 1982 . . 171 SER CA . 19290 1 2159 . 1 1 171 171 SER CB C 13 63.586 0.30 . 1 . 1983 . . 171 SER CB . 19290 1 2160 . 1 1 171 171 SER N N 15 116.923 0.30 . 1 . 1988 . . 171 SER N . 19290 1 2161 . 1 1 172 172 ASN H H 1 8.388 0.02 . 1 . 1992 . . 172 ASN H . 19290 1 2162 . 1 1 172 172 ASN HA H 1 4.596 0.02 . 1 . 1993 . . 172 ASN HA . 19290 1 2163 . 1 1 172 172 ASN HB2 H 1 2.732 0.02 . 2 . 1994 . . 172 ASN HB2 . 19290 1 2164 . 1 1 172 172 ASN HB3 H 1 2.672 0.02 . 2 . 1995 . . 172 ASN HB3 . 19290 1 2165 . 1 1 172 172 ASN C C 13 174.808 0.30 . 1 . 1989 . . 172 ASN C . 19290 1 2166 . 1 1 172 172 ASN CA C 13 53.110 0.30 . 1 . 1990 . . 172 ASN CA . 19290 1 2167 . 1 1 172 172 ASN CB C 13 38.575 0.30 . 1 . 1991 . . 172 ASN CB . 19290 1 2168 . 1 1 172 172 ASN N N 15 120.415 0.30 . 1 . 1996 . . 172 ASN N . 19290 1 2169 . 1 1 173 173 ARG H H 1 8.095 0.02 . 1 . 2002 . . 173 ARG H . 19290 1 2170 . 1 1 173 173 ARG HA H 1 4.205 0.02 . 1 . 2003 . . 173 ARG HA . 19290 1 2171 . 1 1 173 173 ARG HB2 H 1 1.770 0.02 . 2 . 2004 . . 173 ARG HB2 . 19290 1 2172 . 1 1 173 173 ARG HB3 H 1 1.626 0.02 . 2 . 2005 . . 173 ARG HB3 . 19290 1 2173 . 1 1 173 173 ARG HG2 H 1 1.499 0.02 . 1 . 2006 . . 173 ARG HG2 . 19290 1 2174 . 1 1 173 173 ARG HG3 H 1 1.499 0.02 . 1 . 2007 . . 173 ARG HG3 . 19290 1 2175 . 1 1 173 173 ARG HD2 H 1 3.030 0.02 . 1 . 2008 . . 173 ARG HD2 . 19290 1 2176 . 1 1 173 173 ARG HD3 H 1 3.030 0.02 . 1 . 2009 . . 173 ARG HD3 . 19290 1 2177 . 1 1 173 173 ARG HE H 1 7.015 0.02 . 1 . 2010 . . 173 ARG HE . 19290 1 2178 . 1 1 173 173 ARG C C 13 175.166 0.30 . 1 . 1997 . . 173 ARG C . 19290 1 2179 . 1 1 173 173 ARG CA C 13 56.006 0.30 . 1 . 1998 . . 173 ARG CA . 19290 1 2180 . 1 1 173 173 ARG CB C 13 30.535 0.30 . 1 . 1999 . . 173 ARG CB . 19290 1 2181 . 1 1 173 173 ARG CG C 13 26.765 0.30 . 1 . 2000 . . 173 ARG CG . 19290 1 2182 . 1 1 173 173 ARG CD C 13 43.223 0.30 . 1 . 2001 . . 173 ARG CD . 19290 1 2183 . 1 1 173 173 ARG N N 15 121.450 0.30 . 1 . 2011 . . 173 ARG N . 19290 1 2184 . 1 1 173 173 ARG NE N 15 84.232 0.30 . 1 . 2012 . . 173 ARG NE . 19290 1 2185 . 1 1 174 174 GLN H H 1 7.919 0.02 . 1 . 2016 . . 174 GLN H . 19290 1 2186 . 1 1 174 174 GLN HA H 1 4.047 0.02 . 1 . 2017 . . 174 GLN HA . 19290 1 2187 . 1 1 174 174 GLN HB2 H 1 2.004 0.02 . 2 . 2018 . . 174 GLN HB2 . 19290 1 2188 . 1 1 174 174 GLN HB3 H 1 1.813 0.02 . 2 . 2019 . . 174 GLN HB3 . 19290 1 2189 . 1 1 174 174 GLN HG2 H 1 2.187 0.02 . 1 . 2020 . . 174 GLN HG2 . 19290 1 2190 . 1 1 174 174 GLN HG3 H 1 2.187 0.02 . 1 . 2021 . . 174 GLN HG3 . 19290 1 2191 . 1 1 174 174 GLN HE21 H 1 7.403 0.02 . 1 . 2022 . . 174 GLN HE21 . 19290 1 2192 . 1 1 174 174 GLN HE22 H 1 6.705 0.02 . 1 . 2023 . . 174 GLN HE22 . 19290 1 2193 . 1 1 174 174 GLN CA C 13 57.239 0.30 . 1 . 2013 . . 174 GLN CA . 19290 1 2194 . 1 1 174 174 GLN CB C 13 30.268 0.30 . 1 . 2014 . . 174 GLN CB . 19290 1 2195 . 1 1 174 174 GLN CG C 13 34.172 0.30 . 1 . 2015 . . 174 GLN CG . 19290 1 2196 . 1 1 174 174 GLN N N 15 126.500 0.30 . 1 . 2024 . . 174 GLN N . 19290 1 2197 . 1 1 174 174 GLN NE2 N 15 112.231 0.30 . 1 . 2025 . . 174 GLN NE2 . 19290 1 2198 . 2 2 1 1 G H1' H 1 5.966 0.020 . 1 . . . . 1 G H1' . 19290 1 2199 . 2 2 1 1 G H2' H 1 4.737 0.020 . 1 . . . . 1 G H2' . 19290 1 2200 . 2 2 1 1 G H3' H 1 4.642 0.020 . 1 . . . . 1 G H3' . 19290 1 2201 . 2 2 1 1 G H4' H 1 4.448 0.020 . 1 . . . . 1 G H4' . 19290 1 2202 . 2 2 1 1 G H5' H 1 3.840 0.020 . 1 . . . . 1 G H5' . 19290 1 2203 . 2 2 1 1 G H8 H 1 8.127 0.020 . 1 . . . . 1 G H8 . 19290 1 2204 . 2 2 1 1 G C1' C 13 87.942 0.3 . 1 . . . . 1 G C1' . 19290 1 2205 . 2 2 1 1 G C2' C 13 75.820 0.3 . 1 . . . . 1 G C2' . 19290 1 2206 . 2 2 1 1 G C3' C 13 77.041 0.3 . 1 . . . . 1 G C3' . 19290 1 2207 . 2 2 1 1 G C4' C 13 88.065 0.3 . 1 . . . . 1 G C4' . 19290 1 2208 . 2 2 1 1 G C5' C 13 63.950 0.3 . 1 . . . . 1 G C5' . 19290 1 2209 . 2 2 1 1 G C8 C 13 138.915 0.3 . 1 . . . . 1 G C8 . 19290 1 2210 . 2 2 2 2 U H1' H 1 5.790 0.020 . 1 . . . . 2 U H1' . 19290 1 2211 . 2 2 2 2 U H2' H 1 4.132 0.020 . 1 . . . . 2 U H2' . 19290 1 2212 . 2 2 2 2 U H3 H 1 12.702 0.020 . 1 . . . . 2 U H3 . 19290 1 2213 . 2 2 2 2 U H3' H 1 4.500 0.020 . 1 . . . . 2 U H3' . 19290 1 2214 . 2 2 2 2 U H4' H 1 4.083 0.020 . 1 . . . . 2 U H4' . 19290 1 2215 . 2 2 2 2 U H5 H 1 5.829 0.020 . 1 . . . . 2 U H5 . 19290 1 2216 . 2 2 2 2 U H5' H 1 3.808 0.020 . 2 . . . . 2 U H5' . 19290 1 2217 . 2 2 2 2 U H5'' H 1 3.213 0.020 . 2 . . . . 2 U H5'' . 19290 1 2218 . 2 2 2 2 U H6 H 1 7.594 0.020 . 1 . . . . 2 U H6 . 19290 1 2219 . 2 2 2 2 U C1' C 13 88.450 0.3 . 1 . . . . 2 U C1' . 19290 1 2220 . 2 2 2 2 U C2' C 13 75.840 0.3 . 1 . . . . 2 U C2' . 19290 1 2221 . 2 2 2 2 U C3' C 13 78.027 0.3 . 1 . . . . 2 U C3' . 19290 1 2222 . 2 2 2 2 U C4' C 13 85.342 0.3 . 1 . . . . 2 U C4' . 19290 1 2223 . 2 2 2 2 U C5 C 13 105.667 0.3 . 1 . . . . 2 U C5 . 19290 1 2224 . 2 2 2 2 U C5' C 13 67.783 0.3 . 1 . . . . 2 U C5' . 19290 1 2225 . 2 2 2 2 U C6 C 13 143.562 0.3 . 1 . . . . 2 U C6 . 19290 1 2226 . 2 2 2 2 U P P 31 0.208 0.3 . 1 . . . . 2 U P . 19290 1 2227 . 2 2 3 3 G H1 H 1 12.687 0.020 . 1 . . . . 3 G H1 . 19290 1 2228 . 2 2 3 3 G H1' H 1 6.155 0.020 . 1 . . . . 3 G H1' . 19290 1 2229 . 2 2 3 3 G H2' H 1 5.030 0.020 . 1 . . . . 3 G H2' . 19290 1 2230 . 2 2 3 3 G H3' H 1 4.407 0.020 . 1 . . . . 3 G H3' . 19290 1 2231 . 2 2 3 3 G H4' H 1 4.591 0.020 . 1 . . . . 3 G H4' . 19290 1 2232 . 2 2 3 3 G H5' H 1 4.377 0.020 . 2 . . . . 3 G H5' . 19290 1 2233 . 2 2 3 3 G H5'' H 1 4.206 0.020 . 2 . . . . 3 G H5'' . 19290 1 2234 . 2 2 3 3 G H8 H 1 8.310 0.020 . 1 . . . . 3 G H8 . 19290 1 2235 . 2 2 3 3 G C1' C 13 92.405 0.3 . 1 . . . . 3 G C1' . 19290 1 2236 . 2 2 3 3 G C2' C 13 74.618 0.3 . 1 . . . . 3 G C2' . 19290 1 2237 . 2 2 3 3 G C3' C 13 76.425 0.3 . 1 . . . . 3 G C3' . 19290 1 2238 . 2 2 3 3 G C4' C 13 86.516 0.3 . 1 . . . . 3 G C4' . 19290 1 2239 . 2 2 3 3 G C5' C 13 68.965 0.3 . 1 . . . . 3 G C5' . 19290 1 2240 . 2 2 3 3 G C8 C 13 142.349 0.3 . 1 . . . . 3 G C8 . 19290 1 2241 . 2 2 3 3 G P P 31 -0.496 0.3 . 1 . . . . 3 G P . 19290 1 2242 . 2 2 4 4 U H1' H 1 5.861 0.020 . 1 . . . . 4 U H1' . 19290 1 2243 . 2 2 4 4 U H2' H 1 4.215 0.020 . 1 . . . . 4 U H2' . 19290 1 2244 . 2 2 4 4 U H3' H 1 4.656 0.020 . 1 . . . . 4 U H3' . 19290 1 2245 . 2 2 4 4 U H4' H 1 3.091 0.020 . 1 . . . . 4 U H4' . 19290 1 2246 . 2 2 4 4 U H5 H 1 5.925 0.020 . 1 . . . . 4 U H5 . 19290 1 2247 . 2 2 4 4 U H5' H 1 3.728 0.020 . 2 . . . . 4 U H5' . 19290 1 2248 . 2 2 4 4 U H5'' H 1 3.010 0.020 . 2 . . . . 4 U H5'' . 19290 1 2249 . 2 2 4 4 U H6 H 1 7.680 0.020 . 1 . . . . 4 U H6 . 19290 1 2250 . 2 2 4 4 U C1' C 13 87.804 0.3 . 1 . . . . 4 U C1' . 19290 1 2251 . 2 2 4 4 U C2' C 13 76.117 0.3 . 1 . . . . 4 U C2' . 19290 1 2252 . 2 2 4 4 U C3' C 13 80.362 0.3 . 1 . . . . 4 U C3' . 19290 1 2253 . 2 2 4 4 U C4' C 13 85.751 0.3 . 1 . . . . 4 U C4' . 19290 1 2254 . 2 2 4 4 U C5 C 13 106.015 0.3 . 1 . . . . 4 U C5 . 19290 1 2255 . 2 2 4 4 U C5' C 13 68.114 0.3 . 1 . . . . 4 U C5' . 19290 1 2256 . 2 2 4 4 U C6 C 13 143.521 0.3 . 1 . . . . 4 U C6 . 19290 1 2257 . 2 2 4 4 U P P 31 -1.268 0.3 . 1 . . . . 4 U P . 19290 1 2258 . 2 2 5 5 G H1 H 1 12.173 0.020 . 1 . . . . 5 G H1 . 19290 1 2259 . 2 2 5 5 G H1' H 1 5.708 0.020 . 1 . . . . 5 G H1' . 19290 1 2260 . 2 2 5 5 G H2' H 1 5.083 0.020 . 1 . . . . 5 G H2' . 19290 1 2261 . 2 2 5 5 G H3' H 1 4.864 0.020 . 1 . . . . 5 G H3' . 19290 1 2262 . 2 2 5 5 G H4' H 1 4.981 0.020 . 1 . . . . 5 G H4' . 19290 1 2263 . 2 2 5 5 G H5' H 1 4.231 0.020 . 2 . . . . 5 G H5' . 19290 1 2264 . 2 2 5 5 G H5'' H 1 4.090 0.020 . 2 . . . . 5 G H5'' . 19290 1 2265 . 2 2 5 5 G H8 H 1 8.293 0.020 . 1 . . . . 5 G H8 . 19290 1 2266 . 2 2 5 5 G H22 H 1 5.568 0.020 . 1 . . . . 5 G H22 . 19290 1 2267 . 2 2 5 5 G C1' C 13 88.085 0.3 . 1 . . . . 5 G C1' . 19290 1 2268 . 2 2 5 5 G C2' C 13 75.721 0.3 . 1 . . . . 5 G C2' . 19290 1 2269 . 2 2 5 5 G C3' C 13 79.318 0.3 . 1 . . . . 5 G C3' . 19290 1 2270 . 2 2 5 5 G C4' C 13 86.570 0.3 . 1 . . . . 5 G C4' . 19290 1 2271 . 2 2 5 5 G C5' C 13 67.917 0.3 . 1 . . . . 5 G C5' . 19290 1 2272 . 2 2 5 5 G C8 C 13 138.295 0.3 . 1 . . . . 5 G C8 . 19290 1 2273 . 2 2 5 5 G P P 31 -0.854 0.3 . 1 . . . . 5 G P . 19290 1 2274 . 2 2 6 6 A H1' H 1 5.862 0.020 . 1 . . . . 6 A H1' . 19290 1 2275 . 2 2 6 6 A H2 H 1 7.805 0.020 . 1 . . . . 6 A H2 . 19290 1 2276 . 2 2 6 6 A H2' H 1 4.692 0.020 . 1 . . . . 6 A H2' . 19290 1 2277 . 2 2 6 6 A H3' H 1 4.571 0.020 . 1 . . . . 6 A H3' . 19290 1 2278 . 2 2 6 6 A H4' H 1 4.649 0.020 . 1 . . . . 6 A H4' . 19290 1 2279 . 2 2 6 6 A H5' H 1 4.446 0.020 . 2 . . . . 6 A H5' . 19290 1 2280 . 2 2 6 6 A H5'' H 1 4.342 0.020 . 2 . . . . 6 A H5'' . 19290 1 2281 . 2 2 6 6 A H8 H 1 8.191 0.020 . 1 . . . . 6 A H8 . 19290 1 2282 . 2 2 6 6 A C1' C 13 94.245 0.3 . 1 . . . . 6 A C1' . 19290 1 2283 . 2 2 6 6 A C2 C 13 154.551 0.3 . 1 . . . . 6 A C2 . 19290 1 2284 . 2 2 6 6 A C2' C 13 75.116 0.3 . 1 . . . . 6 A C2' . 19290 1 2285 . 2 2 6 6 A C3' C 13 75.090 0.3 . 1 . . . . 6 A C3' . 19290 1 2286 . 2 2 6 6 A C4' C 13 83.537 0.3 . 1 . . . . 6 A C4' . 19290 1 2287 . 2 2 6 6 A C5' C 13 69.172 0.3 . 1 . . . . 6 A C5' . 19290 1 2288 . 2 2 6 6 A C8 C 13 141.491 0.3 . 1 . . . . 6 A C8 . 19290 1 2289 . 2 2 6 6 A P P 31 -1.379 0.3 . 1 . . . . 6 A P . 19290 1 2290 . 2 2 7 7 A H1' H 1 6.053 0.020 . 1 . . . . 7 A H1' . 19290 1 2291 . 2 2 7 7 A H2 H 1 8.156 0.020 . 1 . . . . 7 A H2 . 19290 1 2292 . 2 2 7 7 A H2' H 1 4.632 0.020 . 1 . . . . 7 A H2' . 19290 1 2293 . 2 2 7 7 A H3' H 1 4.505 0.020 . 1 . . . . 7 A H3' . 19290 1 2294 . 2 2 7 7 A H4' H 1 4.597 0.020 . 1 . . . . 7 A H4' . 19290 1 2295 . 2 2 7 7 A H5' H 1 4.502 0.020 . 2 . . . . 7 A H5' . 19290 1 2296 . 2 2 7 7 A H5'' H 1 4.110 0.020 . 2 . . . . 7 A H5'' . 19290 1 2297 . 2 2 7 7 A H8 H 1 8.381 0.020 . 1 . . . . 7 A H8 . 19290 1 2298 . 2 2 7 7 A C1' C 13 89.993 0.3 . 1 . . . . 7 A C1' . 19290 1 2299 . 2 2 7 7 A C2 C 13 155.482 0.3 . 1 . . . . 7 A C2 . 19290 1 2300 . 2 2 7 7 A C2' C 13 78.634 0.3 . 1 . . . . 7 A C2' . 19290 1 2301 . 2 2 7 7 A C3' C 13 80.002 0.3 . 1 . . . . 7 A C3' . 19290 1 2302 . 2 2 7 7 A C4' C 13 87.994 0.3 . 1 . . . . 7 A C4' . 19290 1 2303 . 2 2 7 7 A C5' C 13 67.649 0.3 . 1 . . . . 7 A C5' . 19290 1 2304 . 2 2 7 7 A C8 C 13 141.335 0.3 . 1 . . . . 7 A C8 . 19290 1 2305 . 2 2 7 7 A P P 31 -1.514 0.3 . 1 . . . . 7 A P . 19290 1 2306 . 2 2 8 8 U H1' H 1 5.979 0.020 . 1 . . . . 8 U H1' . 19290 1 2307 . 2 2 8 8 U H2' H 1 4.103 0.020 . 1 . . . . 8 U H2' . 19290 1 2308 . 2 2 8 8 U H3' H 1 4.754 0.020 . 1 . . . . 8 U H3' . 19290 1 2309 . 2 2 8 8 U H4' H 1 3.665 0.020 . 1 . . . . 8 U H4' . 19290 1 2310 . 2 2 8 8 U H5 H 1 5.191 0.020 . 1 . . . . 8 U H5 . 19290 1 2311 . 2 2 8 8 U H5' H 1 3.898 0.020 . 2 . . . . 8 U H5' . 19290 1 2312 . 2 2 8 8 U H5'' H 1 3.196 0.020 . 2 . . . . 8 U H5'' . 19290 1 2313 . 2 2 8 8 U H6 H 1 7.133 0.020 . 1 . . . . 8 U H6 . 19290 1 2314 . 2 2 8 8 U C1' C 13 89.469 0.3 . 1 . . . . 8 U C1' . 19290 1 2315 . 2 2 8 8 U C2' C 13 75.477 0.3 . 1 . . . . 8 U C2' . 19290 1 2316 . 2 2 8 8 U C3' C 13 79.634 0.3 . 1 . . . . 8 U C3' . 19290 1 2317 . 2 2 8 8 U C4' C 13 85.380 0.3 . 1 . . . . 8 U C4' . 19290 1 2318 . 2 2 8 8 U C5 C 13 106.180 0.3 . 1 . . . . 8 U C5 . 19290 1 2319 . 2 2 8 8 U C5' C 13 68.984 0.3 . 1 . . . . 8 U C5' . 19290 1 2320 . 2 2 8 8 U C6 C 13 143.281 0.3 . 1 . . . . 8 U C6 . 19290 1 2321 . 2 2 8 8 U P P 31 -0.295 0.3 . 1 . . . . 8 U P . 19290 1 2322 . 2 2 9 9 G H1 H 1 10.046 0.020 . 1 . . . . 9 G H1 . 19290 1 2323 . 2 2 9 9 G H1' H 1 5.452 0.020 . 1 . . . . 9 G H1' . 19290 1 2324 . 2 2 9 9 G H2' H 1 5.684 0.020 . 1 . . . . 9 G H2' . 19290 1 2325 . 2 2 9 9 G H3' H 1 4.985 0.020 . 1 . . . . 9 G H3' . 19290 1 2326 . 2 2 9 9 G H4' H 1 4.779 0.020 . 1 . . . . 9 G H4' . 19290 1 2327 . 2 2 9 9 G H5' H 1 5.423 0.020 . 2 . . . . 9 G H5' . 19290 1 2328 . 2 2 9 9 G H5'' H 1 4.025 0.020 . 2 . . . . 9 G H5'' . 19290 1 2329 . 2 2 9 9 G H8 H 1 6.888 0.020 . 1 . . . . 9 G H8 . 19290 1 2330 . 2 2 9 9 G C1' C 13 91.579 0.3 . 1 . . . . 9 G C1' . 19290 1 2331 . 2 2 9 9 G C2' C 13 72.670 0.3 . 1 . . . . 9 G C2' . 19290 1 2332 . 2 2 9 9 G C3' C 13 78.732 0.3 . 1 . . . . 9 G C3' . 19290 1 2333 . 2 2 9 9 G C4' C 13 86.770 0.3 . 1 . . . . 9 G C4' . 19290 1 2334 . 2 2 9 9 G C5' C 13 66.594 0.3 . 1 . . . . 9 G C5' . 19290 1 2335 . 2 2 9 9 G C8 C 13 141.666 0.3 . 1 . . . . 9 G C8 . 19290 1 2336 . 2 2 9 9 G P P 31 -0.808 0.3 . 1 . . . . 9 G P . 19290 1 2337 . 2 2 10 10 A H1' H 1 5.963 0.020 . 1 . . . . 10 A H1' . 19290 1 2338 . 2 2 10 10 A H2 H 1 7.892 0.020 . 1 . . . . 10 A H2 . 19290 1 2339 . 2 2 10 10 A H2' H 1 4.784 0.020 . 1 . . . . 10 A H2' . 19290 1 2340 . 2 2 10 10 A H3' H 1 4.684 0.020 . 1 . . . . 10 A H3' . 19290 1 2341 . 2 2 10 10 A H4' H 1 4.593 0.020 . 1 . . . . 10 A H4' . 19290 1 2342 . 2 2 10 10 A H5' H 1 4.346 0.020 . 2 . . . . 10 A H5' . 19290 1 2343 . 2 2 10 10 A H5'' H 1 4.324 0.020 . 2 . . . . 10 A H5'' . 19290 1 2344 . 2 2 10 10 A H8 H 1 8.323 0.020 . 1 . . . . 10 A H8 . 19290 1 2345 . 2 2 10 10 A C1' C 13 91.697 0.3 . 1 . . . . 10 A C1' . 19290 1 2346 . 2 2 10 10 A C2 C 13 154.710 0.3 . 1 . . . . 10 A C2 . 19290 1 2347 . 2 2 10 10 A C2' C 13 75.806 0.3 . 1 . . . . 10 A C2' . 19290 1 2348 . 2 2 10 10 A C3' C 13 76.044 0.3 . 1 . . . . 10 A C3' . 19290 1 2349 . 2 2 10 10 A C4' C 13 84.265 0.3 . 1 . . . . 10 A C4' . 19290 1 2350 . 2 2 10 10 A C5' C 13 68.501 0.3 . 1 . . . . 10 A C5' . 19290 1 2351 . 2 2 10 10 A C8 C 13 141.818 0.3 . 1 . . . . 10 A C8 . 19290 1 2352 . 2 2 10 10 A P P 31 -0.228 0.3 . 1 . . . . 10 A P . 19290 1 2353 . 2 2 11 11 A H1' H 1 5.886 0.020 . 1 . . . . 11 A H1' . 19290 1 2354 . 2 2 11 11 A H2 H 1 8.104 0.020 . 1 . . . . 11 A H2 . 19290 1 2355 . 2 2 11 11 A H2' H 1 4.498 0.020 . 1 . . . . 11 A H2' . 19290 1 2356 . 2 2 11 11 A H3' H 1 4.626 0.020 . 1 . . . . 11 A H3' . 19290 1 2357 . 2 2 11 11 A H4' H 1 4.449 0.020 . 1 . . . . 11 A H4' . 19290 1 2358 . 2 2 11 11 A H5' H 1 4.373 0.020 . 2 . . . . 11 A H5' . 19290 1 2359 . 2 2 11 11 A H5'' H 1 4.129 0.020 . 2 . . . . 11 A H5'' . 19290 1 2360 . 2 2 11 11 A H8 H 1 8.110 0.020 . 1 . . . . 11 A H8 . 19290 1 2361 . 2 2 11 11 A C1' C 13 91.111 0.3 . 1 . . . . 11 A C1' . 19290 1 2362 . 2 2 11 11 A C2 C 13 155.338 0.3 . 1 . . . . 11 A C2 . 19290 1 2363 . 2 2 11 11 A C2' C 13 76.138 0.3 . 1 . . . . 11 A C2' . 19290 1 2364 . 2 2 11 11 A C3' C 13 74.670 0.3 . 1 . . . . 11 A C3' . 19290 1 2365 . 2 2 11 11 A C4' C 13 83.768 0.3 . 1 . . . . 11 A C4' . 19290 1 2366 . 2 2 11 11 A C5' C 13 66.331 0.3 . 1 . . . . 11 A C5' . 19290 1 2367 . 2 2 11 11 A C8 C 13 140.748 0.3 . 1 . . . . 11 A C8 . 19290 1 2368 . 2 2 11 11 A P P 31 -0.831 0.3 . 1 . . . . 11 A P . 19290 1 2369 . 2 2 12 12 U H1' H 1 5.665 0.020 . 1 . . . . 12 U H1' . 19290 1 2370 . 2 2 12 12 U H2' H 1 4.060 0.020 . 1 . . . . 12 U H2' . 19290 1 2371 . 2 2 12 12 U H3' H 1 4.137 0.020 . 1 . . . . 12 U H3' . 19290 1 2372 . 2 2 12 12 U H4' H 1 4.144 0.020 . 1 . . . . 12 U H4' . 19290 1 2373 . 2 2 12 12 U H5 H 1 5.445 0.020 . 1 . . . . 12 U H5 . 19290 1 2374 . 2 2 12 12 U H5' H 1 4.191 0.020 . 2 . . . . 12 U H5' . 19290 1 2375 . 2 2 12 12 U H5'' H 1 4.009 0.020 . 2 . . . . 12 U H5'' . 19290 1 2376 . 2 2 12 12 U H6 H 1 7.575 0.020 . 1 . . . . 12 U H6 . 19290 1 2377 . 2 2 12 12 U C1' C 13 91.383 0.3 . 1 . . . . 12 U C1' . 19290 1 2378 . 2 2 12 12 U C2' C 13 76.748 0.3 . 1 . . . . 12 U C2' . 19290 1 2379 . 2 2 12 12 U C3' C 13 71.454 0.3 . 1 . . . . 12 U C3' . 19290 1 2380 . 2 2 12 12 U C4' C 13 85.050 0.3 . 1 . . . . 12 U C4' . 19290 1 2381 . 2 2 12 12 U C5 C 13 104.416 0.3 . 1 . . . . 12 U C5 . 19290 1 2382 . 2 2 12 12 U C5' C 13 66.610 0.3 . 1 . . . . 12 U C5' . 19290 1 2383 . 2 2 12 12 U C6 C 13 142.896 0.3 . 1 . . . . 12 U C6 . 19290 1 2384 . 2 2 12 12 U P P 31 -0.745 0.3 . 1 . . . . 12 U P . 19290 1 stop_ save_