data_7115 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7115 _Entry.Title ; 1H, 13C and 15N resonance assignments of the apo-form of human eIF4E ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-17 _Entry.Accession_date 2006-05-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Laurent Volpon . . . 7115 2 Michael Osborne . J. . 7115 3 Katherine Borden . L.B. . 7115 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7115 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 553 7115 '15N chemical shifts' 213 7115 '1H chemical shifts' 927 7115 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-09 2006-05-17 update BMRB 'complete entry citation' 7115 1 . . 2006-09-11 2006-05-17 original author 'original release' 7115 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 5712 ; human eIF4E in complex with 7-methylguanosine diphosphate and a 17-amino acid peptide derived from human eIF4GII ; 7115 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7115 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16871426 _Citation.Full_citation . _Citation.Title 'NMR assignment of human eukaryotic translation initiation factor 4E (eIF4E) in its cap-free form' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 65 _Citation.Page_last 65 _Citation.Year 2006 _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 Laurent Volpon . . . 7115 1 2 Michael Osborne . J. . 7115 1 3 Katherine Borden . L.B. . 7115 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'apo eIF4E' 7115 1 NMR 7115 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7115 _Assembly.ID 1 _Assembly.Name eIF4E _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 25097 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7115 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 eIF4E 1 $Eukaryotic_Translation_Initiation_Factor_4E . . no native no no . . . 7115 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'translation initiation factor' 7115 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Eukaryotic_Translation_Initiation_Factor_4E _Entity.Sf_category entity _Entity.Sf_framecode Eukaryotic_Translation_Initiation_Factor_4E _Entity.Entry_ID 7115 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name eIF4E _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MATVEPETTPTPNPPTTEEE KTESNQEVANPEHYIKHPLQ NRWALWFFKNDKSKTWQANL RLISKFDTVEDFWALYNHIQ LSSNLMPGCDYSLFKDGIEP MWEDEKNKRGGRWLITLNKQ QRRSDLDRFWLETLLCLIGE SFDDYSDDVCGAVVNVRAKG DKIAIWTTECENREAVTHIG RVYKERLGLPPKIVIGYQSH ADTATKSGSTTKNRFVV ; _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 217 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1EJ1 . "Cocrystal Structure Of The Messenger Rna 5' Cap-Binding Protein (Eif4e) Bound To 7-Methyl-Gdp" . . . . . 87.56 190 99.47 100.00 5.72e-139 . . . . 7115 1 2 no PDB 1EJ4 . "Cocrystal Structure Of Eif4e4E-Bp1 Peptide" . . . . . 87.56 190 99.47 100.00 5.72e-139 . . . . 7115 1 3 no PDB 1EJH . "Eif4eEIF4G PEPTIDE7-Methyl-Gdp" . . . . . 87.56 190 99.47 100.00 5.72e-139 . . . . 7115 1 4 no PDB 1IPB . "Crystal Structure Of Eukaryotic Initiation Factor 4e Complexed With 7-methyl Gpppa" . . . . . 100.00 217 100.00 100.00 1.84e-160 . . . . 7115 1 5 no PDB 1IPC . "Crystal Structure Of Eukaryotic Initiation Factor 4e Complexed With 7-methyl Gtp" . . . . . 100.00 217 100.00 100.00 1.84e-160 . . . . 7115 1 6 no PDB 1L8B . "Cocrystal Structure Of The Messenger Rna 5' Cap-Binding Protein (Eif4e) Bound To 7-Methylgpppg" . . . . . 87.56 190 99.47 100.00 5.72e-139 . . . . 7115 1 7 no PDB 1WKW . "Crystal Structure Of The Ternary Complex Of Eif4e-M7gpppa- 4ebp1 Peptide" . . . . . 88.02 191 100.00 100.00 3.09e-140 . . . . 7115 1 8 no PDB 2GPQ . "Cap-Free Structure Of Eif4e Suggests Basis For Its Allosteric Regulation" . . . . . 100.00 217 100.00 100.00 1.84e-160 . . . . 7115 1 9 no PDB 2V8W . "Crystallographic And Mass Spectrometric Characterisation Of Eif4e With N7-Cap Derivatives" . . . . . 100.00 217 100.00 100.00 1.84e-160 . . . . 7115 1 10 no PDB 2V8X . "Crystallographic And Mass Spectrometric Characterisation Of Eif4e With N7-Cap Derivatives" . . . . . 100.00 217 100.00 100.00 1.84e-160 . . . . 7115 1 11 no PDB 2V8Y . "Crystallographic And Mass Spectrometric Characterisation Of Eif4e With N7-Cap Derivatives" . . . . . 100.00 217 100.00 100.00 1.84e-160 . . . . 7115 1 12 no PDB 2W97 . "Crystal Structure Of Eif4e Bound To Glycerol And Eif4g1 Peptide" . . . . . 100.00 217 100.00 100.00 1.84e-160 . . . . 7115 1 13 no PDB 3AM7 . "Crystal Structure Of The Ternary Complex Of Eif4e-M7gtp-4ebp2 Peptide" . . . . . 88.02 191 100.00 100.00 3.09e-140 . . . . 7115 1 14 no PDB 3TF2 . "Crystal Structure Of The Cap Free Human Translation Initiation Factor Eif4e" . . . . . 100.00 217 100.00 100.00 1.84e-160 . . . . 7115 1 15 no PDB 3U7X . "Crystal Structure Of The Human Eif4e-4ebp1 Peptide Complex Without Cap" . . . . . 100.00 217 100.00 100.00 1.84e-160 . . . . 7115 1 16 no PDB 4AZA . "Improved Eif4e Binding Peptides By Phage Display Guided Design." . . . . . 100.00 217 100.00 100.00 1.84e-160 . . . . 7115 1 17 no PDB 4BEA . "Crystal Structure Of Eif4e In Complex With A Stapled Peptide Derivative" . . . . . 100.00 217 100.00 100.00 1.84e-160 . . . . 7115 1 18 no PDB 4DT6 . "Co-Crystal Structure Of Eif4e With Inhibitor" . . . . . 100.00 240 100.00 100.00 2.62e-160 . . . . 7115 1 19 no PDB 4DUM . "Co-Crystal Structure Of Eif4e With Inhibitor" . . . . . 100.00 240 100.00 100.00 2.62e-160 . . . . 7115 1 20 no PDB 4TPW . "The Co-complex Structure Of The Translation Initiation Factor Eif4e With The Inhibitor 4egi-1 Reveals An Allosteric Mechanism F" . . . . . 87.56 191 100.00 100.00 1.35e-139 . . . . 7115 1 21 no PDB 4TQB . "The Co-complex Structure Of The Translation Initiation Factor Eif4e With The Inhibitor 4egi-1 Reveals An Allosteric Mechanism F" . . . . . 87.56 191 100.00 100.00 1.35e-139 . . . . 7115 1 22 no PDB 4TQC . "The Co-complex Structure Of The Translation Initiation Factor Eif4e With The Inhibitor 4egi-1 Reveals An Allosteric Mechanism F" . . . . . 87.56 191 100.00 100.00 1.35e-139 . . . . 7115 1 23 no DBJ BAC38660 . "unnamed protein product [Mus musculus]" . . . . . 100.00 217 97.70 98.16 6.42e-156 . . . . 7115 1 24 no DBJ BAE00892 . "unnamed protein product [Macaca fascicularis]" . . . . . 97.24 240 100.00 100.00 1.59e-155 . . . . 7115 1 25 no DBJ BAE39250 . "unnamed protein product [Mus musculus]" . . . . . 100.00 217 98.16 98.62 3.27e-157 . . . . 7115 1 26 no DBJ BAE87828 . "unnamed protein product [Macaca fascicularis]" . . . . . 57.60 126 100.00 100.00 1.20e-86 . . . . 7115 1 27 no DBJ BAE88752 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 217 100.00 100.00 1.84e-160 . . . . 7115 1 28 no EMBL CAA43943 . "eIF-4E [Oryctolagus cuniculus]" . . . . . 100.00 217 98.62 99.08 2.89e-158 . . . . 7115 1 29 no EMBL CAA58316 . "translation initiation factor [Rattus norvegicus]" . . . . . 100.00 217 98.16 98.62 3.27e-157 . . . . 7115 1 30 no EMBL CAL92193 . "elongation initiation factor 4E [Sus scrofa]" . . . . . 83.41 181 98.90 99.45 1.04e-130 . . . . 7115 1 31 no GB AAA37545 . "translation initiation factor eIF-4E [Mus musculus]" . . . . . 100.00 217 98.16 98.62 3.27e-157 . . . . 7115 1 32 no GB AAC13647 . "cap-binding protein [Homo sapiens]" . . . . . 100.00 217 100.00 100.00 1.84e-160 . . . . 7115 1 33 no GB AAF66991 . "translation initiation factor eIF-4E [Bos taurus]" . . . . . 100.00 217 99.08 99.08 9.05e-159 . . . . 7115 1 34 no GB AAH10759 . "Eukaryotic translation initiation factor 4E [Mus musculus]" . . . . . 100.00 217 98.16 98.62 3.27e-157 . . . . 7115 1 35 no GB AAH12611 . "Eukaryotic translation initiation factor 4E [Homo sapiens]" . . . . . 100.00 217 99.54 100.00 7.89e-160 . . . . 7115 1 36 no REF NP_001095180 . "eukaryotic translation initiation factor 4E [Oryctolagus cuniculus]" . . . . . 100.00 217 98.62 99.08 2.89e-158 . . . . 7115 1 37 no REF NP_001124150 . "eukaryotic translation initiation factor 4E isoform 3 [Homo sapiens]" . . . . . 97.24 237 100.00 100.00 3.45e-156 . . . . 7115 1 38 no REF NP_001233399 . "eukaryotic translation initiation factor 4E [Pan troglodytes]" . . . . . 100.00 217 100.00 100.00 1.84e-160 . . . . 7115 1 39 no REF NP_001253148 . "eukaryotic translation initiation factor 4E [Macaca mulatta]" . . . . . 100.00 217 100.00 100.00 1.84e-160 . . . . 7115 1 40 no REF NP_001271630 . "uncharacterized protein LOC101925543 [Macaca fascicularis]" . . . . . 60.83 132 99.24 100.00 1.01e-91 . . . . 7115 1 41 no SP P06730 . "RecName: Full=Eukaryotic translation initiation factor 4E; Short=eIF-4E; Short=eIF4E; AltName: Full=eIF-4F 25 kDa subunit; AltN" . . . . . 100.00 217 100.00 100.00 1.84e-160 . . . . 7115 1 42 no SP P29338 . "RecName: Full=Eukaryotic translation initiation factor 4E; Short=eIF-4E; Short=eIF4E; AltName: Full=eIF-4F 25 kDa subunit; AltN" . . . . . 100.00 217 98.62 99.08 2.89e-158 . . . . 7115 1 43 no SP P63073 . "RecName: Full=Eukaryotic translation initiation factor 4E; Short=eIF-4E; Short=eIF4E; Short=mRNA cap-binding protein; AltName: " . . . . . 100.00 217 98.16 98.62 3.27e-157 . . . . 7115 1 44 no SP P63074 . "RecName: Full=Eukaryotic translation initiation factor 4E; Short=eIF-4E; Short=eIF4E; AltName: Full=eIF-4F 25 kDa subunit; AltN" . . . . . 100.00 217 98.16 98.62 3.27e-157 . . . . 7115 1 45 no SP Q9N0T5 . "RecName: Full=Eukaryotic translation initiation factor 4E; Short=eIF-4E; Short=eIF4E; AltName: Full=mRNA cap-binding protein [B" . . . . . 100.00 217 99.08 99.54 4.54e-159 . . . . 7115 1 46 no TPG DAA28826 . "TPA: eukaryotic translation initiation factor 4E [Bos taurus]" . . . . . 100.00 217 99.54 99.54 1.75e-159 . . . . 7115 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'translation initiation factor' 7115 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'translation initiation factor 4E' . 7115 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'Eukaryotic translation initiation Factor 4E' 7115 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 1 MET . 7115 1 2 2 ALA . 7115 1 3 3 THR . 7115 1 4 4 VAL . 7115 1 5 5 GLU . 7115 1 6 6 PRO . 7115 1 7 7 GLU . 7115 1 8 8 THR . 7115 1 9 9 THR . 7115 1 10 10 PRO . 7115 1 11 11 THR . 7115 1 12 12 PRO . 7115 1 13 13 ASN . 7115 1 14 14 PRO . 7115 1 15 15 PRO . 7115 1 16 16 THR . 7115 1 17 17 THR . 7115 1 18 18 GLU . 7115 1 19 19 GLU . 7115 1 20 20 GLU . 7115 1 21 21 LYS . 7115 1 22 22 THR . 7115 1 23 23 GLU . 7115 1 24 24 SER . 7115 1 25 25 ASN . 7115 1 26 26 GLN . 7115 1 27 27 GLU . 7115 1 28 28 VAL . 7115 1 29 29 ALA . 7115 1 30 30 ASN . 7115 1 31 31 PRO . 7115 1 32 32 GLU . 7115 1 33 33 HIS . 7115 1 34 34 TYR . 7115 1 35 35 ILE . 7115 1 36 36 LYS . 7115 1 37 37 HIS . 7115 1 38 38 PRO . 7115 1 39 39 LEU . 7115 1 40 40 GLN . 7115 1 41 41 ASN . 7115 1 42 42 ARG . 7115 1 43 43 TRP . 7115 1 44 44 ALA . 7115 1 45 45 LEU . 7115 1 46 46 TRP . 7115 1 47 47 PHE . 7115 1 48 48 PHE . 7115 1 49 49 LYS . 7115 1 50 50 ASN . 7115 1 51 51 ASP . 7115 1 52 52 LYS . 7115 1 53 53 SER . 7115 1 54 54 LYS . 7115 1 55 55 THR . 7115 1 56 56 TRP . 7115 1 57 57 GLN . 7115 1 58 58 ALA . 7115 1 59 59 ASN . 7115 1 60 60 LEU . 7115 1 61 61 ARG . 7115 1 62 62 LEU . 7115 1 63 63 ILE . 7115 1 64 64 SER . 7115 1 65 65 LYS . 7115 1 66 66 PHE . 7115 1 67 67 ASP . 7115 1 68 68 THR . 7115 1 69 69 VAL . 7115 1 70 70 GLU . 7115 1 71 71 ASP . 7115 1 72 72 PHE . 7115 1 73 73 TRP . 7115 1 74 74 ALA . 7115 1 75 75 LEU . 7115 1 76 76 TYR . 7115 1 77 77 ASN . 7115 1 78 78 HIS . 7115 1 79 79 ILE . 7115 1 80 80 GLN . 7115 1 81 81 LEU . 7115 1 82 82 SER . 7115 1 83 83 SER . 7115 1 84 84 ASN . 7115 1 85 85 LEU . 7115 1 86 86 MET . 7115 1 87 87 PRO . 7115 1 88 88 GLY . 7115 1 89 89 CYS . 7115 1 90 90 ASP . 7115 1 91 91 TYR . 7115 1 92 92 SER . 7115 1 93 93 LEU . 7115 1 94 94 PHE . 7115 1 95 95 LYS . 7115 1 96 96 ASP . 7115 1 97 97 GLY . 7115 1 98 98 ILE . 7115 1 99 99 GLU . 7115 1 100 100 PRO . 7115 1 101 101 MET . 7115 1 102 102 TRP . 7115 1 103 103 GLU . 7115 1 104 104 ASP . 7115 1 105 105 GLU . 7115 1 106 106 LYS . 7115 1 107 107 ASN . 7115 1 108 108 LYS . 7115 1 109 109 ARG . 7115 1 110 110 GLY . 7115 1 111 111 GLY . 7115 1 112 112 ARG . 7115 1 113 113 TRP . 7115 1 114 114 LEU . 7115 1 115 115 ILE . 7115 1 116 116 THR . 7115 1 117 117 LEU . 7115 1 118 118 ASN . 7115 1 119 119 LYS . 7115 1 120 120 GLN . 7115 1 121 121 GLN . 7115 1 122 122 ARG . 7115 1 123 123 ARG . 7115 1 124 124 SER . 7115 1 125 125 ASP . 7115 1 126 126 LEU . 7115 1 127 127 ASP . 7115 1 128 128 ARG . 7115 1 129 129 PHE . 7115 1 130 130 TRP . 7115 1 131 131 LEU . 7115 1 132 132 GLU . 7115 1 133 133 THR . 7115 1 134 134 LEU . 7115 1 135 135 LEU . 7115 1 136 136 CYS . 7115 1 137 137 LEU . 7115 1 138 138 ILE . 7115 1 139 139 GLY . 7115 1 140 140 GLU . 7115 1 141 141 SER . 7115 1 142 142 PHE . 7115 1 143 143 ASP . 7115 1 144 144 ASP . 7115 1 145 145 TYR . 7115 1 146 146 SER . 7115 1 147 147 ASP . 7115 1 148 148 ASP . 7115 1 149 149 VAL . 7115 1 150 150 CYS . 7115 1 151 151 GLY . 7115 1 152 152 ALA . 7115 1 153 153 VAL . 7115 1 154 154 VAL . 7115 1 155 155 ASN . 7115 1 156 156 VAL . 7115 1 157 157 ARG . 7115 1 158 158 ALA . 7115 1 159 159 LYS . 7115 1 160 160 GLY . 7115 1 161 161 ASP . 7115 1 162 162 LYS . 7115 1 163 163 ILE . 7115 1 164 164 ALA . 7115 1 165 165 ILE . 7115 1 166 166 TRP . 7115 1 167 167 THR . 7115 1 168 168 THR . 7115 1 169 169 GLU . 7115 1 170 170 CYS . 7115 1 171 171 GLU . 7115 1 172 172 ASN . 7115 1 173 173 ARG . 7115 1 174 174 GLU . 7115 1 175 175 ALA . 7115 1 176 176 VAL . 7115 1 177 177 THR . 7115 1 178 178 HIS . 7115 1 179 179 ILE . 7115 1 180 180 GLY . 7115 1 181 181 ARG . 7115 1 182 182 VAL . 7115 1 183 183 TYR . 7115 1 184 184 LYS . 7115 1 185 185 GLU . 7115 1 186 186 ARG . 7115 1 187 187 LEU . 7115 1 188 188 GLY . 7115 1 189 189 LEU . 7115 1 190 190 PRO . 7115 1 191 191 PRO . 7115 1 192 192 LYS . 7115 1 193 193 ILE . 7115 1 194 194 VAL . 7115 1 195 195 ILE . 7115 1 196 196 GLY . 7115 1 197 197 TYR . 7115 1 198 198 GLN . 7115 1 199 199 SER . 7115 1 200 200 HIS . 7115 1 201 201 ALA . 7115 1 202 202 ASP . 7115 1 203 203 THR . 7115 1 204 204 ALA . 7115 1 205 205 THR . 7115 1 206 206 LYS . 7115 1 207 207 SER . 7115 1 208 208 GLY . 7115 1 209 209 SER . 7115 1 210 210 THR . 7115 1 211 211 THR . 7115 1 212 212 LYS . 7115 1 213 213 ASN . 7115 1 214 214 ARG . 7115 1 215 215 PHE . 7115 1 216 216 VAL . 7115 1 217 217 VAL . 7115 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 7115 1 . ALA 2 2 7115 1 . THR 3 3 7115 1 . VAL 4 4 7115 1 . GLU 5 5 7115 1 . PRO 6 6 7115 1 . GLU 7 7 7115 1 . THR 8 8 7115 1 . THR 9 9 7115 1 . PRO 10 10 7115 1 . THR 11 11 7115 1 . PRO 12 12 7115 1 . ASN 13 13 7115 1 . PRO 14 14 7115 1 . PRO 15 15 7115 1 . THR 16 16 7115 1 . THR 17 17 7115 1 . GLU 18 18 7115 1 . GLU 19 19 7115 1 . GLU 20 20 7115 1 . LYS 21 21 7115 1 . THR 22 22 7115 1 . GLU 23 23 7115 1 . SER 24 24 7115 1 . ASN 25 25 7115 1 . GLN 26 26 7115 1 . GLU 27 27 7115 1 . VAL 28 28 7115 1 . ALA 29 29 7115 1 . ASN 30 30 7115 1 . PRO 31 31 7115 1 . GLU 32 32 7115 1 . HIS 33 33 7115 1 . TYR 34 34 7115 1 . ILE 35 35 7115 1 . LYS 36 36 7115 1 . HIS 37 37 7115 1 . PRO 38 38 7115 1 . LEU 39 39 7115 1 . GLN 40 40 7115 1 . ASN 41 41 7115 1 . ARG 42 42 7115 1 . TRP 43 43 7115 1 . ALA 44 44 7115 1 . LEU 45 45 7115 1 . TRP 46 46 7115 1 . PHE 47 47 7115 1 . PHE 48 48 7115 1 . LYS 49 49 7115 1 . ASN 50 50 7115 1 . ASP 51 51 7115 1 . LYS 52 52 7115 1 . SER 53 53 7115 1 . LYS 54 54 7115 1 . THR 55 55 7115 1 . TRP 56 56 7115 1 . GLN 57 57 7115 1 . ALA 58 58 7115 1 . ASN 59 59 7115 1 . LEU 60 60 7115 1 . ARG 61 61 7115 1 . LEU 62 62 7115 1 . ILE 63 63 7115 1 . SER 64 64 7115 1 . LYS 65 65 7115 1 . PHE 66 66 7115 1 . ASP 67 67 7115 1 . THR 68 68 7115 1 . VAL 69 69 7115 1 . GLU 70 70 7115 1 . ASP 71 71 7115 1 . PHE 72 72 7115 1 . TRP 73 73 7115 1 . ALA 74 74 7115 1 . LEU 75 75 7115 1 . TYR 76 76 7115 1 . ASN 77 77 7115 1 . HIS 78 78 7115 1 . ILE 79 79 7115 1 . GLN 80 80 7115 1 . LEU 81 81 7115 1 . SER 82 82 7115 1 . SER 83 83 7115 1 . ASN 84 84 7115 1 . LEU 85 85 7115 1 . MET 86 86 7115 1 . PRO 87 87 7115 1 . GLY 88 88 7115 1 . CYS 89 89 7115 1 . ASP 90 90 7115 1 . TYR 91 91 7115 1 . SER 92 92 7115 1 . LEU 93 93 7115 1 . PHE 94 94 7115 1 . LYS 95 95 7115 1 . ASP 96 96 7115 1 . GLY 97 97 7115 1 . ILE 98 98 7115 1 . GLU 99 99 7115 1 . PRO 100 100 7115 1 . MET 101 101 7115 1 . TRP 102 102 7115 1 . GLU 103 103 7115 1 . ASP 104 104 7115 1 . GLU 105 105 7115 1 . LYS 106 106 7115 1 . ASN 107 107 7115 1 . LYS 108 108 7115 1 . ARG 109 109 7115 1 . GLY 110 110 7115 1 . GLY 111 111 7115 1 . ARG 112 112 7115 1 . TRP 113 113 7115 1 . LEU 114 114 7115 1 . ILE 115 115 7115 1 . THR 116 116 7115 1 . LEU 117 117 7115 1 . ASN 118 118 7115 1 . LYS 119 119 7115 1 . GLN 120 120 7115 1 . GLN 121 121 7115 1 . ARG 122 122 7115 1 . ARG 123 123 7115 1 . SER 124 124 7115 1 . ASP 125 125 7115 1 . LEU 126 126 7115 1 . ASP 127 127 7115 1 . ARG 128 128 7115 1 . PHE 129 129 7115 1 . TRP 130 130 7115 1 . LEU 131 131 7115 1 . GLU 132 132 7115 1 . THR 133 133 7115 1 . LEU 134 134 7115 1 . LEU 135 135 7115 1 . CYS 136 136 7115 1 . LEU 137 137 7115 1 . ILE 138 138 7115 1 . GLY 139 139 7115 1 . GLU 140 140 7115 1 . SER 141 141 7115 1 . PHE 142 142 7115 1 . ASP 143 143 7115 1 . ASP 144 144 7115 1 . TYR 145 145 7115 1 . SER 146 146 7115 1 . ASP 147 147 7115 1 . ASP 148 148 7115 1 . VAL 149 149 7115 1 . CYS 150 150 7115 1 . GLY 151 151 7115 1 . ALA 152 152 7115 1 . VAL 153 153 7115 1 . VAL 154 154 7115 1 . ASN 155 155 7115 1 . VAL 156 156 7115 1 . ARG 157 157 7115 1 . ALA 158 158 7115 1 . LYS 159 159 7115 1 . GLY 160 160 7115 1 . ASP 161 161 7115 1 . LYS 162 162 7115 1 . ILE 163 163 7115 1 . ALA 164 164 7115 1 . ILE 165 165 7115 1 . TRP 166 166 7115 1 . THR 167 167 7115 1 . THR 168 168 7115 1 . GLU 169 169 7115 1 . CYS 170 170 7115 1 . GLU 171 171 7115 1 . ASN 172 172 7115 1 . ARG 173 173 7115 1 . GLU 174 174 7115 1 . ALA 175 175 7115 1 . VAL 176 176 7115 1 . THR 177 177 7115 1 . HIS 178 178 7115 1 . ILE 179 179 7115 1 . GLY 180 180 7115 1 . ARG 181 181 7115 1 . VAL 182 182 7115 1 . TYR 183 183 7115 1 . LYS 184 184 7115 1 . GLU 185 185 7115 1 . ARG 186 186 7115 1 . LEU 187 187 7115 1 . GLY 188 188 7115 1 . LEU 189 189 7115 1 . PRO 190 190 7115 1 . PRO 191 191 7115 1 . LYS 192 192 7115 1 . ILE 193 193 7115 1 . VAL 194 194 7115 1 . ILE 195 195 7115 1 . GLY 196 196 7115 1 . TYR 197 197 7115 1 . GLN 198 198 7115 1 . SER 199 199 7115 1 . HIS 200 200 7115 1 . ALA 201 201 7115 1 . ASP 202 202 7115 1 . THR 203 203 7115 1 . ALA 204 204 7115 1 . THR 205 205 7115 1 . LYS 206 206 7115 1 . SER 207 207 7115 1 . GLY 208 208 7115 1 . SER 209 209 7115 1 . THR 210 210 7115 1 . THR 211 211 7115 1 . LYS 212 212 7115 1 . ASN 213 213 7115 1 . ARG 214 214 7115 1 . PHE 215 215 7115 1 . VAL 216 216 7115 1 . VAL 217 217 7115 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7115 _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 $Eukaryotic_Translation_Initiation_Factor_4E . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7115 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 7115 _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 $Eukaryotic_Translation_Initiation_Factor_4E . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7115 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7115 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 eIF4E '[U-95% 13C; U-95% 15N]' . . 1 $Eukaryotic_Translation_Initiation_Factor_4E . . 0.3 . . mM . . . . 7115 1 2 NaCl . . . . . . . 100 . . mM . . . . 7115 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7115 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 eIF4E '[U-95% 2H; U-95% 13C; U-95% 15N]' . . 1 $Eukaryotic_Translation_Initiation_Factor_4E . . 0.3 . . mM . . . . 7115 2 2 NaCl . . . . . . . 100 . . mM . . . . 7115 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7115 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 0.005 M 7115 1 pH 7.4 0.1 pH 7115 1 temperature 298 1 K 7115 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600_MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600_MHz_spectrometer _NMR_spectrometer.Entry_ID 7115 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800_MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800_MHz_spectrometer _NMR_spectrometer.Entry_ID 7115 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7115 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600_MHz_spectrometer . . . . . . . . . . . . . . . . 7115 1 2 HNCO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7115 1 3 '3D HCCH-COSY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7115 1 4 '3D 15N-edited NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7115 1 5 '3D 13C-edited NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7115 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7115 _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 external indirect 0.251449530 . . . . . . . . . 7115 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 7115 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 7115 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7115 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 7115 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 THR C C 13 174.1 0.30 . 1 . . . . 3 THR C . 7115 1 2 . 1 1 3 3 THR CA C 13 61.7 0.30 . 1 . . . . 3 THR CA . 7115 1 3 . 1 1 4 4 VAL H H 1 8.15 0.03 . 1 . . . . 4 VAL H . 7115 1 4 . 1 1 4 4 VAL HA H 1 4.17 0.03 . 1 . . . . 4 VAL HA . 7115 1 5 . 1 1 4 4 VAL HB H 1 1.81 0.03 . 1 . . . . 4 VAL HB . 7115 1 6 . 1 1 4 4 VAL HG11 H 1 0.69 0.03 . 2 . . . . 4 VAL HG1 . 7115 1 7 . 1 1 4 4 VAL HG12 H 1 0.69 0.03 . 2 . . . . 4 VAL HG1 . 7115 1 8 . 1 1 4 4 VAL HG13 H 1 0.69 0.03 . 2 . . . . 4 VAL HG1 . 7115 1 9 . 1 1 4 4 VAL HG21 H 1 0.71 0.03 . 2 . . . . 4 VAL HG2 . 7115 1 10 . 1 1 4 4 VAL HG22 H 1 0.71 0.03 . 2 . . . . 4 VAL HG2 . 7115 1 11 . 1 1 4 4 VAL HG23 H 1 0.71 0.03 . 2 . . . . 4 VAL HG2 . 7115 1 12 . 1 1 4 4 VAL C C 13 175.7 0.30 . 1 . . . . 4 VAL C . 7115 1 13 . 1 1 4 4 VAL CA C 13 61.4 0.30 . 1 . . . . 4 VAL CA . 7115 1 14 . 1 1 4 4 VAL N N 15 123.9 0.30 . 1 . . . . 4 VAL N . 7115 1 15 . 1 1 5 5 GLU H H 1 8.37 0.03 . 1 . . . . 5 GLU H . 7115 1 16 . 1 1 5 5 GLU HA H 1 3.95 0.03 . 1 . . . . 5 GLU HA . 7115 1 17 . 1 1 5 5 GLU CA C 13 53.7 0.30 . 1 . . . . 5 GLU CA . 7115 1 18 . 1 1 5 5 GLU N N 15 127.2 0.30 . 1 . . . . 5 GLU N . 7115 1 19 . 1 1 6 6 PRO C C 13 176.8 0.30 . 1 . . . . 6 PRO C . 7115 1 20 . 1 1 6 6 PRO CA C 13 62.5 0.30 . 1 . . . . 6 PRO CA . 7115 1 21 . 1 1 7 7 GLU H H 1 8.41 0.03 . 1 . . . . 7 GLU H . 7115 1 22 . 1 1 7 7 GLU HA H 1 4.17 0.03 . 1 . . . . 7 GLU HA . 7115 1 23 . 1 1 7 7 GLU HB2 H 1 1.77 0.03 . 1 . . . . 7 GLU HB2 . 7115 1 24 . 1 1 7 7 GLU HB3 H 1 1.72 0.03 . 1 . . . . 7 GLU HB3 . 7115 1 25 . 1 1 7 7 GLU HG2 H 1 2.07 0.03 . 2 . . . . 7 GLU HG2 . 7115 1 26 . 1 1 7 7 GLU C C 13 176.7 0.30 . 1 . . . . 7 GLU C . 7115 1 27 . 1 1 7 7 GLU CA C 13 56.2 0.30 . 1 . . . . 7 GLU CA . 7115 1 28 . 1 1 7 7 GLU N N 15 121.7 0.30 . 1 . . . . 7 GLU N . 7115 1 29 . 1 1 8 8 THR H H 1 8.08 0.03 . 1 . . . . 8 THR H . 7115 1 30 . 1 1 8 8 THR HA H 1 4.20 0.03 . 1 . . . . 8 THR HA . 7115 1 31 . 1 1 8 8 THR HG21 H 1 0.97 0.03 . 1 . . . . 8 THR HG2 . 7115 1 32 . 1 1 8 8 THR HG22 H 1 0.97 0.03 . 1 . . . . 8 THR HG2 . 7115 1 33 . 1 1 8 8 THR HG23 H 1 0.97 0.03 . 1 . . . . 8 THR HG2 . 7115 1 34 . 1 1 8 8 THR C C 13 174.4 0.30 . 1 . . . . 8 THR C . 7115 1 35 . 1 1 8 8 THR CA C 13 61.1 0.30 . 1 . . . . 8 THR CA . 7115 1 36 . 1 1 8 8 THR N N 15 116.1 0.30 . 1 . . . . 8 THR N . 7115 1 37 . 1 1 9 9 THR H H 1 8.12 0.03 . 1 . . . . 9 THR H . 7115 1 38 . 1 1 9 9 THR HA H 1 4.17 0.03 . 1 . . . . 9 THR HA . 7115 1 39 . 1 1 9 9 THR HB H 1 3.91 0.03 . 1 . . . . 9 THR HB . 7115 1 40 . 1 1 9 9 THR HG21 H 1 0.98 0.03 . 1 . . . . 9 THR HG2 . 7115 1 41 . 1 1 9 9 THR HG22 H 1 0.98 0.03 . 1 . . . . 9 THR HG2 . 7115 1 42 . 1 1 9 9 THR HG23 H 1 0.98 0.03 . 1 . . . . 9 THR HG2 . 7115 1 43 . 1 1 9 9 THR CA C 13 59.4 0.30 . 1 . . . . 9 THR CA . 7115 1 44 . 1 1 9 9 THR N N 15 120.2 0.30 . 1 . . . . 9 THR N . 7115 1 45 . 1 1 10 10 PRO HG2 H 1 1.77 0.03 . 1 . . . . 10 PRO HG2 . 7115 1 46 . 1 1 10 10 PRO HG3 H 1 1.80 0.03 . 1 . . . . 10 PRO HG3 . 7115 1 47 . 1 1 10 10 PRO HD2 H 1 3.48 0.03 . 2 . . . . 10 PRO HD2 . 7115 1 48 . 1 1 10 10 PRO C C 13 176.8 0.30 . 1 . . . . 10 PRO C . 7115 1 49 . 1 1 10 10 PRO CA C 13 62.5 0.30 . 1 . . . . 10 PRO CA . 7115 1 50 . 1 1 10 10 PRO CG C 13 26.8 0.30 . 1 . . . . 10 PRO CG . 7115 1 51 . 1 1 10 10 PRO CD C 13 50.4 0.30 . 1 . . . . 10 PRO CD . 7115 1 52 . 1 1 11 11 THR H H 1 8.21 0.03 . 1 . . . . 11 THR H . 7115 1 53 . 1 1 11 11 THR HA H 1 4.26 0.03 . 1 . . . . 11 THR HA . 7115 1 54 . 1 1 11 11 THR HB H 1 3.91 0.03 . 1 . . . . 11 THR HB . 7115 1 55 . 1 1 11 11 THR HG21 H 1 1.02 0.03 . 1 . . . . 11 THR HG2 . 7115 1 56 . 1 1 11 11 THR HG22 H 1 1.02 0.03 . 1 . . . . 11 THR HG2 . 7115 1 57 . 1 1 11 11 THR HG23 H 1 1.02 0.03 . 1 . . . . 11 THR HG2 . 7115 1 58 . 1 1 11 11 THR CA C 13 59.2 0.30 . 1 . . . . 11 THR CA . 7115 1 59 . 1 1 11 11 THR CB C 13 69.2 0.30 . 1 . . . . 11 THR CB . 7115 1 60 . 1 1 11 11 THR CG2 C 13 20.7 0.30 . 1 . . . . 11 THR CG2 . 7115 1 61 . 1 1 11 11 THR N N 15 118.4 0.30 . 1 . . . . 11 THR N . 7115 1 62 . 1 1 12 12 PRO HB2 H 1 2.05 0.03 . 1 . . . . 12 PRO HB2 . 7115 1 63 . 1 1 12 12 PRO HB3 H 1 1.64 0.03 . 1 . . . . 12 PRO HB3 . 7115 1 64 . 1 1 12 12 PRO HG2 H 1 1.77 0.03 . 2 . . . . 12 PRO HG2 . 7115 1 65 . 1 1 12 12 PRO C C 13 175.2 0.30 . 1 . . . . 12 PRO C . 7115 1 66 . 1 1 12 12 PRO CA C 13 62.9 0.30 . 1 . . . . 12 PRO CA . 7115 1 67 . 1 1 12 12 PRO CB C 13 31.5 0.30 . 1 . . . . 12 PRO CB . 7115 1 68 . 1 1 12 12 PRO CG C 13 26.9 0.30 . 1 . . . . 12 PRO CG . 7115 1 69 . 1 1 13 13 ASN H H 1 8.06 0.03 . 1 . . . . 13 ASN H . 7115 1 70 . 1 1 13 13 ASN HA H 1 4.09 0.03 . 1 . . . . 13 ASN HA . 7115 1 71 . 1 1 13 13 ASN HB2 H 1 2.40 0.03 . 1 . . . . 13 ASN HB2 . 7115 1 72 . 1 1 13 13 ASN HB3 H 1 1.85 0.03 . 1 . . . . 13 ASN HB3 . 7115 1 73 . 1 1 13 13 ASN CA C 13 50.0 0.30 . 1 . . . . 13 ASN CA . 7115 1 74 . 1 1 13 13 ASN N N 15 119.9 0.30 . 1 . . . . 13 ASN N . 7115 1 75 . 1 1 15 15 PRO HA H 1 4.20 0.03 . 1 . . . . 15 PRO HA . 7115 1 76 . 1 1 15 15 PRO C C 13 177.1 0.30 . 1 . . . . 15 PRO C . 7115 1 77 . 1 1 15 15 PRO CA C 13 62.4 0.30 . 1 . . . . 15 PRO CA . 7115 1 78 . 1 1 16 16 THR H H 1 8.17 0.03 . 1 . . . . 16 THR H . 7115 1 79 . 1 1 16 16 THR HA H 1 4.31 0.03 . 1 . . . . 16 THR HA . 7115 1 80 . 1 1 16 16 THR HB H 1 4.08 0.03 . 1 . . . . 16 THR HB . 7115 1 81 . 1 1 16 16 THR HG21 H 1 1.00 0.03 . 1 . . . . 16 THR HG2 . 7115 1 82 . 1 1 16 16 THR HG22 H 1 1.00 0.03 . 1 . . . . 16 THR HG2 . 7115 1 83 . 1 1 16 16 THR HG23 H 1 1.00 0.03 . 1 . . . . 16 THR HG2 . 7115 1 84 . 1 1 16 16 THR C C 13 174.7 0.30 . 1 . . . . 16 THR C . 7115 1 85 . 1 1 16 16 THR CA C 13 61.1 0.30 . 1 . . . . 16 THR CA . 7115 1 86 . 1 1 16 16 THR CG2 C 13 20.9 0.30 . 1 . . . . 16 THR CG2 . 7115 1 87 . 1 1 16 16 THR N N 15 115.1 0.30 . 1 . . . . 16 THR N . 7115 1 88 . 1 1 17 17 THR H H 1 8.05 0.03 . 1 . . . . 17 THR H . 7115 1 89 . 1 1 17 17 THR HA H 1 4.19 0.03 . 1 . . . . 17 THR HA . 7115 1 90 . 1 1 17 17 THR HB H 1 4.03 0.03 . 1 . . . . 17 THR HB . 7115 1 91 . 1 1 17 17 THR HG21 H 1 0.98 0.03 . 1 . . . . 17 THR HG2 . 7115 1 92 . 1 1 17 17 THR HG22 H 1 0.98 0.03 . 1 . . . . 17 THR HG2 . 7115 1 93 . 1 1 17 17 THR HG23 H 1 0.98 0.03 . 1 . . . . 17 THR HG2 . 7115 1 94 . 1 1 17 17 THR C C 13 174.5 0.30 . 1 . . . . 17 THR C . 7115 1 95 . 1 1 17 17 THR CA C 13 61.2 0.30 . 1 . . . . 17 THR CA . 7115 1 96 . 1 1 17 17 THR CG2 C 13 21.1 0.30 . 1 . . . . 17 THR CG2 . 7115 1 97 . 1 1 17 17 THR N N 15 116.6 0.30 . 1 . . . . 17 THR N . 7115 1 98 . 1 1 18 18 GLU H H 1 8.32 0.03 . 1 . . . . 18 GLU H . 7115 1 99 . 1 1 18 18 GLU HA H 1 4.16 0.03 . 1 . . . . 18 GLU HA . 7115 1 100 . 1 1 18 18 GLU HB2 H 1 1.78 0.03 . 1 . . . . 18 GLU HB2 . 7115 1 101 . 1 1 18 18 GLU HB3 H 1 1.70 0.03 . 1 . . . . 18 GLU HB3 . 7115 1 102 . 1 1 18 18 GLU HG2 H 1 2.03 0.03 . 2 . . . . 18 GLU HG2 . 7115 1 103 . 1 1 18 18 GLU CA C 13 56.2 0.30 . 1 . . . . 18 GLU CA . 7115 1 104 . 1 1 18 18 GLU CB C 13 29.5 0.30 . 1 . . . . 18 GLU CB . 7115 1 105 . 1 1 18 18 GLU CG C 13 35.4 0.30 . 1 . . . . 18 GLU CG . 7115 1 106 . 1 1 18 18 GLU N N 15 123.6 0.30 . 1 . . . . 18 GLU N . 7115 1 107 . 1 1 19 19 GLU H H 1 8.29 0.03 . 1 . . . . 19 GLU H . 7115 1 108 . 1 1 19 19 GLU C C 13 176.5 0.30 . 1 . . . . 19 GLU C . 7115 1 109 . 1 1 19 19 GLU CA C 13 56.3 0.30 . 1 . . . . 19 GLU CA . 7115 1 110 . 1 1 19 19 GLU N N 15 122.6 0.30 . 1 . . . . 19 GLU N . 7115 1 111 . 1 1 20 20 GLU H H 1 8.27 0.03 . 1 . . . . 20 GLU H . 7115 1 112 . 1 1 20 20 GLU HA H 1 4.06 0.03 . 1 . . . . 20 GLU HA . 7115 1 113 . 1 1 20 20 GLU HB2 H 1 1.78 0.03 . 1 . . . . 20 GLU HB2 . 7115 1 114 . 1 1 20 20 GLU HB3 H 1 1.71 0.03 . 1 . . . . 20 GLU HB3 . 7115 1 115 . 1 1 20 20 GLU HG2 H 1 2.03 0.03 . 2 . . . . 20 GLU HG2 . 7115 1 116 . 1 1 20 20 GLU C C 13 176.5 0.30 . 1 . . . . 20 GLU C . 7115 1 117 . 1 1 20 20 GLU CA C 13 56.4 0.30 . 1 . . . . 20 GLU CA . 7115 1 118 . 1 1 20 20 GLU CB C 13 29.6 0.30 . 1 . . . . 20 GLU CB . 7115 1 119 . 1 1 20 20 GLU CG C 13 35.7 0.30 . 1 . . . . 20 GLU CG . 7115 1 120 . 1 1 20 20 GLU N N 15 122.5 0.30 . 1 . . . . 20 GLU N . 7115 1 121 . 1 1 21 21 LYS H H 1 8.21 0.03 . 1 . . . . 21 LYS H . 7115 1 122 . 1 1 21 21 LYS HA H 1 4.03 0.03 . 1 . . . . 21 LYS HA . 7115 1 123 . 1 1 21 21 LYS HB2 H 1 1.56 0.03 . 2 . . . . 21 LYS HB2 . 7115 1 124 . 1 1 21 21 LYS HD2 H 1 1.34 0.03 . 2 . . . . 21 LYS HD2 . 7115 1 125 . 1 1 21 21 LYS HE2 H 1 2.66 0.03 . 1 . . . . 21 LYS HE2 . 7115 1 126 . 1 1 21 21 LYS HE3 H 1 2.69 0.03 . 1 . . . . 21 LYS HE3 . 7115 1 127 . 1 1 21 21 LYS C C 13 176.7 0.30 . 1 . . . . 21 LYS C . 7115 1 128 . 1 1 21 21 LYS CA C 13 55.8 0.30 . 1 . . . . 21 LYS CA . 7115 1 129 . 1 1 21 21 LYS CD C 13 28.7 0.30 . 1 . . . . 21 LYS CD . 7115 1 130 . 1 1 21 21 LYS CE C 13 41.30 0.30 . 1 . . . . 21 LYS CE . 7115 1 131 . 1 1 21 21 LYS N N 15 123.6 0.30 . 1 . . . . 21 LYS N . 7115 1 132 . 1 1 22 22 THR H H 1 8.10 0.03 . 1 . . . . 22 THR H . 7115 1 133 . 1 1 22 22 THR HA H 1 4.17 0.03 . 1 . . . . 22 THR HA . 7115 1 134 . 1 1 22 22 THR HB H 1 4.01 0.03 . 1 . . . . 22 THR HB . 7115 1 135 . 1 1 22 22 THR HG21 H 1 0.97 0.03 . 1 . . . . 22 THR HG2 . 7115 1 136 . 1 1 22 22 THR HG22 H 1 0.97 0.03 . 1 . . . . 22 THR HG2 . 7115 1 137 . 1 1 22 22 THR HG23 H 1 0.97 0.03 . 1 . . . . 22 THR HG2 . 7115 1 138 . 1 1 22 22 THR C C 13 174.7 0.30 . 1 . . . . 22 THR C . 7115 1 139 . 1 1 22 22 THR CA C 13 61.4 0.30 . 1 . . . . 22 THR CA . 7115 1 140 . 1 1 22 22 THR CG2 C 13 21.2 0.30 . 1 . . . . 22 THR CG2 . 7115 1 141 . 1 1 22 22 THR N N 15 116.6 0.30 . 1 . . . . 22 THR N . 7115 1 142 . 1 1 23 23 GLU H H 1 8.34 0.03 . 1 . . . . 23 GLU H . 7115 1 143 . 1 1 23 23 GLU HA H 1 4.13 0.03 . 1 . . . . 23 GLU HA . 7115 1 144 . 1 1 23 23 GLU HB2 H 1 1.81 0.03 . 1 . . . . 23 GLU HB2 . 7115 1 145 . 1 1 23 23 GLU HB3 H 1 1.71 0.03 . 1 . . . . 23 GLU HB3 . 7115 1 146 . 1 1 23 23 GLU HG2 H 1 2.04 0.03 . 2 . . . . 23 GLU HG2 . 7115 1 147 . 1 1 23 23 GLU C C 13 176.5 0.30 . 1 . . . . 23 GLU C . 7115 1 148 . 1 1 23 23 GLU CA C 13 56.1 0.30 . 1 . . . . 23 GLU CA . 7115 1 149 . 1 1 23 23 GLU CB C 13 29.4 0.30 . 1 . . . . 23 GLU CB . 7115 1 150 . 1 1 23 23 GLU CG C 13 35.6 0.30 . 1 . . . . 23 GLU CG . 7115 1 151 . 1 1 23 23 GLU N N 15 123.9 0.30 . 1 . . . . 23 GLU N . 7115 1 152 . 1 1 24 24 SER H H 1 8.23 0.03 . 1 . . . . 24 SER H . 7115 1 153 . 1 1 24 24 SER HA H 1 4.21 0.03 . 1 . . . . 24 SER HA . 7115 1 154 . 1 1 24 24 SER HB2 H 1 3.62 0.03 . 1 . . . . 24 SER HB2 . 7115 1 155 . 1 1 24 24 SER HB3 H 1 3.64 0.03 . 1 . . . . 24 SER HB3 . 7115 1 156 . 1 1 24 24 SER C C 13 174.3 0.30 . 1 . . . . 24 SER C . 7115 1 157 . 1 1 24 24 SER CA C 13 57.9 0.30 . 1 . . . . 24 SER CA . 7115 1 158 . 1 1 24 24 SER CB C 13 63.2 0.30 . 1 . . . . 24 SER CB . 7115 1 159 . 1 1 24 24 SER N N 15 117.4 0.30 . 1 . . . . 24 SER N . 7115 1 160 . 1 1 25 25 ASN H H 1 8.33 0.03 . 1 . . . . 25 ASN H . 7115 1 161 . 1 1 25 25 ASN HA H 1 4.48 0.03 . 1 . . . . 25 ASN HA . 7115 1 162 . 1 1 25 25 ASN HB2 H 1 2.56 0.03 . 1 . . . . 25 ASN HB2 . 7115 1 163 . 1 1 25 25 ASN HB3 H 1 2.58 0.03 . 1 . . . . 25 ASN HB3 . 7115 1 164 . 1 1 25 25 ASN C C 13 175.1 0.30 . 1 . . . . 25 ASN C . 7115 1 165 . 1 1 25 25 ASN CA C 13 52.9 0.30 . 1 . . . . 25 ASN CA . 7115 1 166 . 1 1 25 25 ASN CB C 13 38.1 0.30 . 1 . . . . 25 ASN CB . 7115 1 167 . 1 1 25 25 ASN N N 15 121.4 0.30 . 1 . . . . 25 ASN N . 7115 1 168 . 1 1 26 26 GLN H H 1 8.18 0.03 . 1 . . . . 26 GLN H . 7115 1 169 . 1 1 26 26 GLN HA H 1 4.09 0.03 . 1 . . . . 26 GLN HA . 7115 1 170 . 1 1 26 26 GLN HB2 H 1 1.90 0.03 . 1 . . . . 26 GLN HB2 . 7115 1 171 . 1 1 26 26 GLN HB3 H 1 1.73 0.03 . 1 . . . . 26 GLN HB3 . 7115 1 172 . 1 1 26 26 GLN HG2 H 1 2.11 0.03 . 2 . . . . 26 GLN HG2 . 7115 1 173 . 1 1 26 26 GLN C C 13 175.8 0.30 . 1 . . . . 26 GLN C . 7115 1 174 . 1 1 26 26 GLN CA C 13 55.5 0.30 . 1 . . . . 26 GLN CA . 7115 1 175 . 1 1 26 26 GLN CB C 13 29.0 0.30 . 1 . . . . 26 GLN CB . 7115 1 176 . 1 1 26 26 GLN CG C 13 33.2 0.30 . 1 . . . . 26 GLN CG . 7115 1 177 . 1 1 26 26 GLN N N 15 121.0 0.30 . 1 . . . . 26 GLN N . 7115 1 178 . 1 1 27 27 GLU H H 1 8.25 0.03 . 1 . . . . 27 GLU H . 7115 1 179 . 1 1 27 27 GLU HA H 1 4.05 0.03 . 1 . . . . 27 GLU HA . 7115 1 180 . 1 1 27 27 GLU HB2 H 1 1.80 0.03 . 1 . . . . 27 GLU HB2 . 7115 1 181 . 1 1 27 27 GLU HB3 H 1 1.71 0.03 . 1 . . . . 27 GLU HB3 . 7115 1 182 . 1 1 27 27 GLU HG2 H 1 2.06 0.03 . 1 . . . . 27 GLU HG2 . 7115 1 183 . 1 1 27 27 GLU HG3 H 1 1.97 0.03 . 1 . . . . 27 GLU HG3 . 7115 1 184 . 1 1 27 27 GLU C C 13 176.4 0.30 . 1 . . . . 27 GLU C . 7115 1 185 . 1 1 27 27 GLU CA C 13 56.2 0.30 . 1 . . . . 27 GLU CA . 7115 1 186 . 1 1 27 27 GLU CB C 13 29.6 0.30 . 1 . . . . 27 GLU CB . 7115 1 187 . 1 1 27 27 GLU CG C 13 35.5 0.30 . 1 . . . . 27 GLU CG . 7115 1 188 . 1 1 27 27 GLU N N 15 122.8 0.30 . 1 . . . . 27 GLU N . 7115 1 189 . 1 1 28 28 VAL H H 1 7.97 0.03 . 1 . . . . 28 VAL H . 7115 1 190 . 1 1 28 28 VAL HA H 1 3.86 0.03 . 1 . . . . 28 VAL HA . 7115 1 191 . 1 1 28 28 VAL HB H 1 1.81 0.03 . 1 . . . . 28 VAL HB . 7115 1 192 . 1 1 28 28 VAL HG11 H 1 0.69 0.03 . 2 . . . . 28 VAL HG1 . 7115 1 193 . 1 1 28 28 VAL HG12 H 1 0.69 0.03 . 2 . . . . 28 VAL HG1 . 7115 1 194 . 1 1 28 28 VAL HG13 H 1 0.69 0.03 . 2 . . . . 28 VAL HG1 . 7115 1 195 . 1 1 28 28 VAL HG21 H 1 0.66 0.03 . 2 . . . . 28 VAL HG2 . 7115 1 196 . 1 1 28 28 VAL HG22 H 1 0.66 0.03 . 2 . . . . 28 VAL HG2 . 7115 1 197 . 1 1 28 28 VAL HG23 H 1 0.66 0.03 . 2 . . . . 28 VAL HG2 . 7115 1 198 . 1 1 28 28 VAL C C 13 175.7 0.30 . 1 . . . . 28 VAL C . 7115 1 199 . 1 1 28 28 VAL CA C 13 61.5 0.30 . 1 . . . . 28 VAL CA . 7115 1 200 . 1 1 28 28 VAL CB C 13 32.5 0.30 . 1 . . . . 28 VAL CB . 7115 1 201 . 1 1 28 28 VAL CG1 C 13 19.8 0.30 . 1 . . . . 28 VAL CG1 . 7115 1 202 . 1 1 28 28 VAL CG2 C 13 20.6 0.30 . 1 . . . . 28 VAL CG2 . 7115 1 203 . 1 1 28 28 VAL N N 15 121.8 0.30 . 1 . . . . 28 VAL N . 7115 1 204 . 1 1 29 29 ALA H H 1 8.19 0.03 . 1 . . . . 29 ALA H . 7115 1 205 . 1 1 29 29 ALA HA H 1 4.07 0.03 . 1 . . . . 29 ALA HA . 7115 1 206 . 1 1 29 29 ALA HB1 H 1 1.11 0.03 . 1 . . . . 29 ALA HB . 7115 1 207 . 1 1 29 29 ALA HB2 H 1 1.11 0.03 . 1 . . . . 29 ALA HB . 7115 1 208 . 1 1 29 29 ALA HB3 H 1 1.11 0.03 . 1 . . . . 29 ALA HB . 7115 1 209 . 1 1 29 29 ALA C C 13 177.0 0.30 . 1 . . . . 29 ALA C . 7115 1 210 . 1 1 29 29 ALA CA C 13 51.9 0.30 . 1 . . . . 29 ALA CA . 7115 1 211 . 1 1 29 29 ALA CB C 13 18.8 0.30 . 1 . . . . 29 ALA CB . 7115 1 212 . 1 1 29 29 ALA N N 15 128.3 0.30 . 1 . . . . 29 ALA N . 7115 1 213 . 1 1 30 30 ASN H H 1 8.25 0.03 . 1 . . . . 30 ASN H . 7115 1 214 . 1 1 30 30 ASN HA H 1 4.70 0.03 . 1 . . . . 30 ASN HA . 7115 1 215 . 1 1 30 30 ASN HB2 H 1 2.40 0.03 . 1 . . . . 30 ASN HB2 . 7115 1 216 . 1 1 30 30 ASN HB3 H 1 2.47 0.03 . 1 . . . . 30 ASN HB3 . 7115 1 217 . 1 1 30 30 ASN CA C 13 50.8 0.30 . 1 . . . . 30 ASN CA . 7115 1 218 . 1 1 30 30 ASN CB C 13 38.0 0.30 . 1 . . . . 30 ASN CB . 7115 1 219 . 1 1 30 30 ASN N N 15 119.5 0.30 . 1 . . . . 30 ASN N . 7115 1 220 . 1 1 31 31 PRO HA H 1 4.10 0.03 . 1 . . . . 31 PRO HA . 7115 1 221 . 1 1 31 31 PRO HB2 H 1 1.66 0.03 . 1 . . . . 31 PRO HB2 . 7115 1 222 . 1 1 31 31 PRO HB3 H 1 2.02 0.03 . 1 . . . . 31 PRO HB3 . 7115 1 223 . 1 1 31 31 PRO HG2 H 1 1.76 0.03 . 2 . . . . 31 PRO HG2 . 7115 1 224 . 1 1 31 31 PRO C C 13 177.1 0.30 . 1 . . . . 31 PRO C . 7115 1 225 . 1 1 31 31 PRO CA C 13 63.1 0.30 . 1 . . . . 31 PRO CA . 7115 1 226 . 1 1 31 31 PRO CB C 13 31.5 0.30 . 1 . . . . 31 PRO CB . 7115 1 227 . 1 1 31 31 PRO CG C 13 26.8 0.30 . 1 . . . . 31 PRO CG . 7115 1 228 . 1 1 32 32 GLU H H 1 8.26 0.03 . 1 . . . . 32 GLU H . 7115 1 229 . 1 1 32 32 GLU HA H 1 3.93 0.03 . 1 . . . . 32 GLU HA . 7115 1 230 . 1 1 32 32 GLU HB2 H 1 1.69 0.03 . 1 . . . . 32 GLU HB2 . 7115 1 231 . 1 1 32 32 GLU HB3 H 1 1.64 0.03 . 1 . . . . 32 GLU HB3 . 7115 1 232 . 1 1 32 32 GLU HG2 H 1 1.96 0.03 . 2 . . . . 32 GLU HG2 . 7115 1 233 . 1 1 32 32 GLU C C 13 176.4 0.30 . 1 . . . . 32 GLU C . 7115 1 234 . 1 1 32 32 GLU CA C 13 56.5 0.30 . 1 . . . . 32 GLU CA . 7115 1 235 . 1 1 32 32 GLU CB C 13 29.2 0.30 . 1 . . . . 32 GLU CB . 7115 1 236 . 1 1 32 32 GLU CG C 13 35.1 0.30 . 1 . . . . 32 GLU CG . 7115 1 237 . 1 1 32 32 GLU N N 15 119.9 0.30 . 1 . . . . 32 GLU N . 7115 1 238 . 1 1 33 33 HIS H H 1 7.88 0.03 . 1 . . . . 33 HIS H . 7115 1 239 . 1 1 33 33 HIS HA H 1 4.39 0.03 . 1 . . . . 33 HIS HA . 7115 1 240 . 1 1 33 33 HIS HB2 H 1 2.85 0.03 . 1 . . . . 33 HIS HB2 . 7115 1 241 . 1 1 33 33 HIS HB3 H 1 2.79 0.03 . 1 . . . . 33 HIS HB3 . 7115 1 242 . 1 1 33 33 HIS C C 13 174.3 0.30 . 1 . . . . 33 HIS C . 7115 1 243 . 1 1 33 33 HIS CA C 13 55.4 0.30 . 1 . . . . 33 HIS CA . 7115 1 244 . 1 1 33 33 HIS CB C 13 30.3 0.30 . 1 . . . . 33 HIS CB . 7115 1 245 . 1 1 33 33 HIS N N 15 119.6 0.30 . 1 . . . . 33 HIS N . 7115 1 246 . 1 1 34 34 TYR H H 1 7.75 0.03 . 1 . . . . 34 TYR H . 7115 1 247 . 1 1 34 34 TYR HA H 1 4.32 0.03 . 1 . . . . 34 TYR HA . 7115 1 248 . 1 1 34 34 TYR HB2 H 1 2.68 0.03 . 1 . . . . 34 TYR HB2 . 7115 1 249 . 1 1 34 34 TYR HB3 H 1 2.79 0.03 . 1 . . . . 34 TYR HB3 . 7115 1 250 . 1 1 34 34 TYR HD1 H 1 6.96 0.03 . 3 . . . . 34 TYR HD1 . 7115 1 251 . 1 1 34 34 TYR HE1 H 1 6.79 0.03 . 3 . . . . 34 TYR HE1 . 7115 1 252 . 1 1 34 34 TYR C C 13 174.9 0.30 . 1 . . . . 34 TYR C . 7115 1 253 . 1 1 34 34 TYR CA C 13 57.2 0.30 . 1 . . . . 34 TYR CA . 7115 1 254 . 1 1 34 34 TYR CB C 13 38.4 0.30 . 1 . . . . 34 TYR CB . 7115 1 255 . 1 1 34 34 TYR N N 15 121.6 0.30 . 1 . . . . 34 TYR N . 7115 1 256 . 1 1 35 35 ILE H H 1 7.70 0.03 . 1 . . . . 35 ILE H . 7115 1 257 . 1 1 35 35 ILE HA H 1 3.87 0.03 . 1 . . . . 35 ILE HA . 7115 1 258 . 1 1 35 35 ILE HB H 1 1.49 0.03 . 1 . . . . 35 ILE HB . 7115 1 259 . 1 1 35 35 ILE HG12 H 1 1.13 0.03 . 1 . . . . 35 ILE HG12 . 7115 1 260 . 1 1 35 35 ILE HG13 H 1 0.85 0.03 . 1 . . . . 35 ILE HG13 . 7115 1 261 . 1 1 35 35 ILE HG21 H 1 0.57 0.03 . 1 . . . . 35 ILE HG2 . 7115 1 262 . 1 1 35 35 ILE HG22 H 1 0.57 0.03 . 1 . . . . 35 ILE HG2 . 7115 1 263 . 1 1 35 35 ILE HG23 H 1 0.57 0.03 . 1 . . . . 35 ILE HG2 . 7115 1 264 . 1 1 35 35 ILE HD11 H 1 0.54 0.03 . 1 . . . . 35 ILE HD1 . 7115 1 265 . 1 1 35 35 ILE HD12 H 1 0.54 0.03 . 1 . . . . 35 ILE HD1 . 7115 1 266 . 1 1 35 35 ILE HD13 H 1 0.54 0.03 . 1 . . . . 35 ILE HD1 . 7115 1 267 . 1 1 35 35 ILE C C 13 175.2 0.30 . 1 . . . . 35 ILE C . 7115 1 268 . 1 1 35 35 ILE CA C 13 60.2 0.30 . 1 . . . . 35 ILE CA . 7115 1 269 . 1 1 35 35 ILE CB C 13 38.2 0.30 . 1 . . . . 35 ILE CB . 7115 1 270 . 1 1 35 35 ILE CG1 C 13 26.5 0.30 . 1 . . . . 35 ILE CG1 . 7115 1 271 . 1 1 35 35 ILE CG2 C 13 14.1 0.30 . 1 . . . . 35 ILE CG2 . 7115 1 272 . 1 1 35 35 ILE CD1 C 13 16.8 0.30 . 1 . . . . 35 ILE CD1 . 7115 1 273 . 1 1 35 35 ILE N N 15 124.2 0.30 . 1 . . . . 35 ILE N . 7115 1 274 . 1 1 36 36 LYS H H 1 7.86 0.03 . 1 . . . . 36 LYS H . 7115 1 275 . 1 1 36 36 LYS HA H 1 4.20 0.03 . 1 . . . . 36 LYS HA . 7115 1 276 . 1 1 36 36 LYS HB2 H 1 1.56 0.03 . 1 . . . . 36 LYS HB2 . 7115 1 277 . 1 1 36 36 LYS HB3 H 1 1.62 0.03 . 1 . . . . 36 LYS HB3 . 7115 1 278 . 1 1 36 36 LYS HG2 H 1 1.15 0.03 . 1 . . . . 36 LYS HG2 . 7115 1 279 . 1 1 36 36 LYS HG3 H 1 1.22 0.03 . 1 . . . . 36 LYS HG3 . 7115 1 280 . 1 1 36 36 LYS HD2 H 1 1.44 0.03 . 2 . . . . 36 LYS HD2 . 7115 1 281 . 1 1 36 36 LYS HE2 H 1 2.73 0.03 . 1 . . . . 36 LYS HE2 . 7115 1 282 . 1 1 36 36 LYS HE3 H 1 2.78 0.03 . 1 . . . . 36 LYS HE3 . 7115 1 283 . 1 1 36 36 LYS C C 13 176.1 0.30 . 1 . . . . 36 LYS C . 7115 1 284 . 1 1 36 36 LYS CA C 13 55.6 0.30 . 1 . . . . 36 LYS CA . 7115 1 285 . 1 1 36 36 LYS CB C 13 32.4 0.30 . 1 . . . . 36 LYS CB . 7115 1 286 . 1 1 36 36 LYS CG C 13 24.2 0.30 . 1 . . . . 36 LYS CG . 7115 1 287 . 1 1 36 36 LYS CD C 13 28.8 0.30 . 1 . . . . 36 LYS CD . 7115 1 288 . 1 1 36 36 LYS CE C 13 41.45 0.30 . 1 . . . . 36 LYS CE . 7115 1 289 . 1 1 36 36 LYS N N 15 124.5 0.30 . 1 . . . . 36 LYS N . 7115 1 290 . 1 1 37 37 HIS H H 1 10.70 0.03 . 1 . . . . 37 HIS H . 7115 1 291 . 1 1 37 37 HIS HB2 H 1 3.22 0.03 . 1 . . . . 37 HIS HB2 . 7115 1 292 . 1 1 37 37 HIS HB3 H 1 3.03 0.03 . 1 . . . . 37 HIS HB3 . 7115 1 293 . 1 1 37 37 HIS HE2 H 1 7.02 0.03 . 1 . . . . 37 HIS HE2 . 7115 1 294 . 1 1 37 37 HIS CA C 13 54.2 0.30 . 1 . . . . 37 HIS CA . 7115 1 295 . 1 1 37 37 HIS N N 15 123.4 0.30 . 1 . . . . 37 HIS N . 7115 1 296 . 1 1 38 38 PRO HA H 1 4.82 0.03 . 1 . . . . 38 PRO HA . 7115 1 297 . 1 1 38 38 PRO HB2 H 1 2.20 0.03 . 1 . . . . 38 PRO HB2 . 7115 1 298 . 1 1 38 38 PRO HB3 H 1 1.89 0.03 . 1 . . . . 38 PRO HB3 . 7115 1 299 . 1 1 38 38 PRO C C 13 177.0 0.30 . 1 . . . . 38 PRO C . 7115 1 300 . 1 1 38 38 PRO CA C 13 61.9 0.30 . 1 . . . . 38 PRO CA . 7115 1 301 . 1 1 38 38 PRO CB C 13 32.6 0.30 . 1 . . . . 38 PRO CB . 7115 1 302 . 1 1 39 39 LEU H H 1 8.04 0.03 . 1 . . . . 39 LEU H . 7115 1 303 . 1 1 39 39 LEU HA H 1 5.18 0.03 . 1 . . . . 39 LEU HA . 7115 1 304 . 1 1 39 39 LEU HB2 H 1 2.26 0.03 . 2 . . . . 39 LEU HB2 . 7115 1 305 . 1 1 39 39 LEU HD11 H 1 0.92 0.03 . 2 . . . . 39 LEU HD1 . 7115 1 306 . 1 1 39 39 LEU HD12 H 1 0.92 0.03 . 2 . . . . 39 LEU HD1 . 7115 1 307 . 1 1 39 39 LEU HD13 H 1 0.92 0.03 . 2 . . . . 39 LEU HD1 . 7115 1 308 . 1 1 39 39 LEU HD21 H 1 0.68 0.03 . 2 . . . . 39 LEU HD2 . 7115 1 309 . 1 1 39 39 LEU HD22 H 1 0.68 0.03 . 2 . . . . 39 LEU HD2 . 7115 1 310 . 1 1 39 39 LEU HD23 H 1 0.68 0.03 . 2 . . . . 39 LEU HD2 . 7115 1 311 . 1 1 39 39 LEU C C 13 177.5 0.30 . 1 . . . . 39 LEU C . 7115 1 312 . 1 1 39 39 LEU CA C 13 52.5 0.30 . 1 . . . . 39 LEU CA . 7115 1 313 . 1 1 39 39 LEU CD1 C 13 27.7 0.30 . 1 . . . . 39 LEU CD1 . 7115 1 314 . 1 1 39 39 LEU CD2 C 13 22.8 0.30 . 1 . . . . 39 LEU CD2 . 7115 1 315 . 1 1 39 39 LEU N N 15 122.4 0.30 . 1 . . . . 39 LEU N . 7115 1 316 . 1 1 40 40 GLN H H 1 8.69 0.03 . 1 . . . . 40 GLN H . 7115 1 317 . 1 1 40 40 GLN HA H 1 3.82 0.03 . 1 . . . . 40 GLN HA . 7115 1 318 . 1 1 40 40 GLN HB2 H 1 1.96 0.03 . 1 . . . . 40 GLN HB2 . 7115 1 319 . 1 1 40 40 GLN HB3 H 1 1.87 0.03 . 1 . . . . 40 GLN HB3 . 7115 1 320 . 1 1 40 40 GLN HG2 H 1 2.22 0.03 . 2 . . . . 40 GLN HG2 . 7115 1 321 . 1 1 40 40 GLN HE21 H 1 7.40 0.03 . 1 . . . . 40 GLN HE21 . 7115 1 322 . 1 1 40 40 GLN HE22 H 1 6.78 0.03 . 1 . . . . 40 GLN HE22 . 7115 1 323 . 1 1 40 40 GLN C C 13 175.5 0.30 . 1 . . . . 40 GLN C . 7115 1 324 . 1 1 40 40 GLN CA C 13 57.9 0.30 . 1 . . . . 40 GLN CA . 7115 1 325 . 1 1 40 40 GLN CB C 13 28.8 0.30 . 1 . . . . 40 GLN CB . 7115 1 326 . 1 1 40 40 GLN CG C 13 33.6 0.30 . 1 . . . . 40 GLN CG . 7115 1 327 . 1 1 40 40 GLN N N 15 121.5 0.30 . 1 . . . . 40 GLN N . 7115 1 328 . 1 1 40 40 GLN NE2 N 15 113.5 0.30 . 1 . . . . 40 GLN NE2 . 7115 1 329 . 1 1 41 41 ASN H H 1 7.96 0.03 . 1 . . . . 41 ASN H . 7115 1 330 . 1 1 41 41 ASN C C 13 171.0 0.30 . 1 . . . . 41 ASN C . 7115 1 331 . 1 1 41 41 ASN CA C 13 51.5 0.30 . 1 . . . . 41 ASN CA . 7115 1 332 . 1 1 41 41 ASN N N 15 115.6 0.30 . 1 . . . . 41 ASN N . 7115 1 333 . 1 1 42 42 ARG H H 1 7.82 0.03 . 1 . . . . 42 ARG H . 7115 1 334 . 1 1 42 42 ARG HA H 1 4.44 0.03 . 1 . . . . 42 ARG HA . 7115 1 335 . 1 1 42 42 ARG C C 13 174.8 0.30 . 1 . . . . 42 ARG C . 7115 1 336 . 1 1 42 42 ARG CA C 13 54.0 0.30 . 1 . . . . 42 ARG CA . 7115 1 337 . 1 1 42 42 ARG N N 15 117.0 0.30 . 1 . . . . 42 ARG N . 7115 1 338 . 1 1 43 43 TRP H H 1 7.98 0.03 . 1 . . . . 43 TRP H . 7115 1 339 . 1 1 43 43 TRP HB2 H 1 2.91 0.03 . 1 . . . . 43 TRP HB2 . 7115 1 340 . 1 1 43 43 TRP HB3 H 1 2.42 0.03 . 1 . . . . 43 TRP HB3 . 7115 1 341 . 1 1 43 43 TRP HD1 H 1 6.74 0.03 . 1 . . . . 43 TRP HD1 . 7115 1 342 . 1 1 43 43 TRP HE1 H 1 10.78 0.03 . 1 . . . . 43 TRP HE1 . 7115 1 343 . 1 1 43 43 TRP HZ2 H 1 6.55 0.03 . 1 . . . . 43 TRP HZ2 . 7115 1 344 . 1 1 43 43 TRP C C 13 173.2 0.30 . 1 . . . . 43 TRP C . 7115 1 345 . 1 1 43 43 TRP CA C 13 55.6 0.30 . 1 . . . . 43 TRP CA . 7115 1 346 . 1 1 43 43 TRP N N 15 125.8 0.30 . 1 . . . . 43 TRP N . 7115 1 347 . 1 1 43 43 TRP NE1 N 15 131.4 0.30 . 1 . . . . 43 TRP NE1 . 7115 1 348 . 1 1 44 44 ALA H H 1 9.07 0.03 . 1 . . . . 44 ALA H . 7115 1 349 . 1 1 44 44 ALA HA H 1 4.82 0.03 . 1 . . . . 44 ALA HA . 7115 1 350 . 1 1 44 44 ALA HB1 H 1 1.01 0.03 . 1 . . . . 44 ALA HB . 7115 1 351 . 1 1 44 44 ALA HB2 H 1 1.01 0.03 . 1 . . . . 44 ALA HB . 7115 1 352 . 1 1 44 44 ALA HB3 H 1 1.01 0.03 . 1 . . . . 44 ALA HB . 7115 1 353 . 1 1 44 44 ALA C C 13 174.9 0.30 . 1 . . . . 44 ALA C . 7115 1 354 . 1 1 44 44 ALA CA C 13 50.2 0.30 . 1 . . . . 44 ALA CA . 7115 1 355 . 1 1 44 44 ALA CB C 13 22.1 0.30 . 1 . . . . 44 ALA CB . 7115 1 356 . 1 1 44 44 ALA N N 15 122.3 0.30 . 1 . . . . 44 ALA N . 7115 1 357 . 1 1 45 45 LEU H H 1 8.47 0.03 . 1 . . . . 45 LEU H . 7115 1 358 . 1 1 45 45 LEU HB2 H 1 1.70 0.03 . 1 . . . . 45 LEU HB2 . 7115 1 359 . 1 1 45 45 LEU HB3 H 1 1.23 0.03 . 1 . . . . 45 LEU HB3 . 7115 1 360 . 1 1 45 45 LEU HG H 1 0.95 0.03 . 1 . . . . 45 LEU HG . 7115 1 361 . 1 1 45 45 LEU HD11 H 1 0.25 0.03 . 2 . . . . 45 LEU HD1 . 7115 1 362 . 1 1 45 45 LEU HD12 H 1 0.25 0.03 . 2 . . . . 45 LEU HD1 . 7115 1 363 . 1 1 45 45 LEU HD13 H 1 0.25 0.03 . 2 . . . . 45 LEU HD1 . 7115 1 364 . 1 1 45 45 LEU HD21 H 1 0.68 0.03 . 2 . . . . 45 LEU HD2 . 7115 1 365 . 1 1 45 45 LEU HD22 H 1 0.68 0.03 . 2 . . . . 45 LEU HD2 . 7115 1 366 . 1 1 45 45 LEU HD23 H 1 0.68 0.03 . 2 . . . . 45 LEU HD2 . 7115 1 367 . 1 1 45 45 LEU C C 13 174.5 0.30 . 1 . . . . 45 LEU C . 7115 1 368 . 1 1 45 45 LEU CA C 13 53.3 0.30 . 1 . . . . 45 LEU CA . 7115 1 369 . 1 1 45 45 LEU N N 15 124.5 0.30 . 1 . . . . 45 LEU N . 7115 1 370 . 1 1 46 46 TRP H H 1 10.11 0.03 . 1 . . . . 46 TRP H . 7115 1 371 . 1 1 46 46 TRP HB3 H 1 3.15 0.03 . 2 . . . . 46 TRP HB3 . 7115 1 372 . 1 1 46 46 TRP HE1 H 1 10.00 0.03 . 1 . . . . 46 TRP HE1 . 7115 1 373 . 1 1 46 46 TRP C C 13 174.6 0.30 . 1 . . . . 46 TRP C . 7115 1 374 . 1 1 46 46 TRP CA C 13 55.4 0.30 . 1 . . . . 46 TRP CA . 7115 1 375 . 1 1 46 46 TRP N N 15 128.8 0.30 . 1 . . . . 46 TRP N . 7115 1 376 . 1 1 46 46 TRP NE1 N 15 129.7 0.30 . 1 . . . . 46 TRP NE1 . 7115 1 377 . 1 1 47 47 PHE H H 1 9.72 0.03 . 1 . . . . 47 PHE H . 7115 1 378 . 1 1 47 47 PHE HB3 H 1 2.76 0.03 . 2 . . . . 47 PHE HB3 . 7115 1 379 . 1 1 47 47 PHE HD1 H 1 7.00 0.03 . 3 . . . . 47 PHE HD1 . 7115 1 380 . 1 1 47 47 PHE HE1 H 1 7.05 0.03 . 3 . . . . 47 PHE HE1 . 7115 1 381 . 1 1 47 47 PHE C C 13 172.5 0.30 . 1 . . . . 47 PHE C . 7115 1 382 . 1 1 47 47 PHE CA C 13 55.1 0.30 . 1 . . . . 47 PHE CA . 7115 1 383 . 1 1 47 47 PHE N N 15 122.6 0.30 . 1 . . . . 47 PHE N . 7115 1 384 . 1 1 48 48 PHE H H 1 8.12 0.03 . 1 . . . . 48 PHE H . 7115 1 385 . 1 1 48 48 PHE HB2 H 1 2.52 0.03 . 2 . . . . 48 PHE HB2 . 7115 1 386 . 1 1 48 48 PHE HD1 H 1 6.54 0.03 . 3 . . . . 48 PHE HD1 . 7115 1 387 . 1 1 48 48 PHE HE1 H 1 6.85 0.03 . 3 . . . . 48 PHE HE1 . 7115 1 388 . 1 1 48 48 PHE C C 13 172.6 0.30 . 1 . . . . 48 PHE C . 7115 1 389 . 1 1 48 48 PHE CA C 13 55.7 0.30 . 1 . . . . 48 PHE CA . 7115 1 390 . 1 1 48 48 PHE N N 15 129.0 0.30 . 1 . . . . 48 PHE N . 7115 1 391 . 1 1 49 49 LYS H H 1 6.51 0.03 . 1 . . . . 49 LYS H . 7115 1 392 . 1 1 49 49 LYS HB2 H 1 1.34 0.03 . 2 . . . . 49 LYS HB2 . 7115 1 393 . 1 1 49 49 LYS C C 13 174.4 0.30 . 1 . . . . 49 LYS C . 7115 1 394 . 1 1 49 49 LYS CA C 13 54.1 0.30 . 1 . . . . 49 LYS CA . 7115 1 395 . 1 1 49 49 LYS CB C 13 34.2 0.30 . 1 . . . . 49 LYS CB . 7115 1 396 . 1 1 49 49 LYS N N 15 125.5 0.30 . 1 . . . . 49 LYS N . 7115 1 397 . 1 1 50 50 ASN H H 1 7.39 0.03 . 1 . . . . 50 ASN H . 7115 1 398 . 1 1 50 50 ASN HA H 1 3.92 0.03 . 1 . . . . 50 ASN HA . 7115 1 399 . 1 1 50 50 ASN HB2 H 1 2.66 0.03 . 1 . . . . 50 ASN HB2 . 7115 1 400 . 1 1 50 50 ASN HB3 H 1 2.48 0.03 . 1 . . . . 50 ASN HB3 . 7115 1 401 . 1 1 50 50 ASN C C 13 174.4 0.30 . 1 . . . . 50 ASN C . 7115 1 402 . 1 1 50 50 ASN CA C 13 52.8 0.30 . 1 . . . . 50 ASN CA . 7115 1 403 . 1 1 50 50 ASN N N 15 121.8 0.30 . 1 . . . . 50 ASN N . 7115 1 404 . 1 1 51 51 ASP H H 1 7.31 0.03 . 1 . . . . 51 ASP H . 7115 1 405 . 1 1 51 51 ASP HA H 1 4.37 0.03 . 1 . . . . 51 ASP HA . 7115 1 406 . 1 1 51 51 ASP HB2 H 1 2.89 0.03 . 1 . . . . 51 ASP HB2 . 7115 1 407 . 1 1 51 51 ASP HB3 H 1 2.13 0.03 . 1 . . . . 51 ASP HB3 . 7115 1 408 . 1 1 51 51 ASP C C 13 177.2 0.30 . 1 . . . . 51 ASP C . 7115 1 409 . 1 1 51 51 ASP CA C 13 53.0 0.30 . 1 . . . . 51 ASP CA . 7115 1 410 . 1 1 51 51 ASP N N 15 123.4 0.30 . 1 . . . . 51 ASP N . 7115 1 411 . 1 1 52 52 LYS H H 1 8.58 0.03 . 1 . . . . 52 LYS H . 7115 1 412 . 1 1 52 52 LYS HB2 H 1 1.70 0.03 . 1 . . . . 52 LYS HB2 . 7115 1 413 . 1 1 52 52 LYS HB3 H 1 1.59 0.03 . 1 . . . . 52 LYS HB3 . 7115 1 414 . 1 1 52 52 LYS HG2 H 1 1.28 0.03 . 2 . . . . 52 LYS HG2 . 7115 1 415 . 1 1 52 52 LYS C C 13 176.9 0.30 . 1 . . . . 52 LYS C . 7115 1 416 . 1 1 52 52 LYS CA C 13 57.4 0.30 . 1 . . . . 52 LYS CA . 7115 1 417 . 1 1 52 52 LYS N N 15 125.6 0.30 . 1 . . . . 52 LYS N . 7115 1 418 . 1 1 53 53 SER H H 1 8.48 0.03 . 1 . . . . 53 SER H . 7115 1 419 . 1 1 53 53 SER HB2 H 1 3.80 0.03 . 1 . . . . 53 SER HB2 . 7115 1 420 . 1 1 53 53 SER HB3 H 1 3.68 0.03 . 1 . . . . 53 SER HB3 . 7115 1 421 . 1 1 53 53 SER C C 13 173.7 0.30 . 1 . . . . 53 SER C . 7115 1 422 . 1 1 53 53 SER CA C 13 58.8 0.30 . 1 . . . . 53 SER CA . 7115 1 423 . 1 1 53 53 SER N N 15 115.8 0.30 . 1 . . . . 53 SER N . 7115 1 424 . 1 1 54 54 LYS H H 1 7.57 0.03 . 1 . . . . 54 LYS H . 7115 1 425 . 1 1 54 54 LYS HB2 H 1 1.62 0.03 . 1 . . . . 54 LYS HB2 . 7115 1 426 . 1 1 54 54 LYS HB3 H 1 1.53 0.03 . 1 . . . . 54 LYS HB3 . 7115 1 427 . 1 1 54 54 LYS C C 13 176.1 0.30 . 1 . . . . 54 LYS C . 7115 1 428 . 1 1 54 54 LYS CA C 13 54.3 0.30 . 1 . . . . 54 LYS CA . 7115 1 429 . 1 1 54 54 LYS N N 15 122.9 0.30 . 1 . . . . 54 LYS N . 7115 1 430 . 1 1 55 55 THR H H 1 7.76 0.03 . 1 . . . . 55 THR H . 7115 1 431 . 1 1 55 55 THR HB H 1 4.16 0.03 . 1 . . . . 55 THR HB . 7115 1 432 . 1 1 55 55 THR HG21 H 1 1.10 0.03 . 1 . . . . 55 THR HG2 . 7115 1 433 . 1 1 55 55 THR HG22 H 1 1.10 0.03 . 1 . . . . 55 THR HG2 . 7115 1 434 . 1 1 55 55 THR HG23 H 1 1.10 0.03 . 1 . . . . 55 THR HG2 . 7115 1 435 . 1 1 55 55 THR C C 13 174.3 0.30 . 1 . . . . 55 THR C . 7115 1 436 . 1 1 55 55 THR CA C 13 60.5 0.30 . 1 . . . . 55 THR CA . 7115 1 437 . 1 1 55 55 THR CG2 C 13 21.5 0.30 . 1 . . . . 55 THR CG2 . 7115 1 438 . 1 1 55 55 THR N N 15 111.5 0.30 . 1 . . . . 55 THR N . 7115 1 439 . 1 1 56 56 TRP H H 1 8.38 0.03 . 1 . . . . 56 TRP H . 7115 1 440 . 1 1 56 56 TRP HB2 H 1 3.26 0.03 . 1 . . . . 56 TRP HB2 . 7115 1 441 . 1 1 56 56 TRP HB3 H 1 3.09 0.03 . 1 . . . . 56 TRP HB3 . 7115 1 442 . 1 1 56 56 TRP HE1 H 1 9.70 0.03 . 1 . . . . 56 TRP HE1 . 7115 1 443 . 1 1 56 56 TRP C C 13 178.1 0.30 . 1 . . . . 56 TRP C . 7115 1 444 . 1 1 56 56 TRP N N 15 121.8 0.30 . 1 . . . . 56 TRP N . 7115 1 445 . 1 1 56 56 TRP NE1 N 15 130.2 0.30 . 1 . . . . 56 TRP NE1 . 7115 1 446 . 1 1 57 57 GLN H H 1 8.12 0.03 . 1 . . . . 57 GLN H . 7115 1 447 . 1 1 57 57 GLN C C 13 178.1 0.30 . 1 . . . . 57 GLN C . 7115 1 448 . 1 1 57 57 GLN CA C 13 58.7 0.30 . 1 . . . . 57 GLN CA . 7115 1 449 . 1 1 57 57 GLN N N 15 116.4 0.30 . 1 . . . . 57 GLN N . 7115 1 450 . 1 1 58 58 ALA H H 1 7.39 0.03 . 1 . . . . 58 ALA H . 7115 1 451 . 1 1 58 58 ALA HA H 1 3.99 0.03 . 1 . . . . 58 ALA HA . 7115 1 452 . 1 1 58 58 ALA HB1 H 1 1.20 0.03 . 1 . . . . 58 ALA HB . 7115 1 453 . 1 1 58 58 ALA HB2 H 1 1.20 0.03 . 1 . . . . 58 ALA HB . 7115 1 454 . 1 1 58 58 ALA HB3 H 1 1.20 0.03 . 1 . . . . 58 ALA HB . 7115 1 455 . 1 1 58 58 ALA C C 13 177.9 0.30 . 1 . . . . 58 ALA C . 7115 1 456 . 1 1 58 58 ALA CA C 13 52.9 0.30 . 1 . . . . 58 ALA CA . 7115 1 457 . 1 1 58 58 ALA CB C 13 18.6 0.30 . 1 . . . . 58 ALA CB . 7115 1 458 . 1 1 58 58 ALA N N 15 120.5 0.30 . 1 . . . . 58 ALA N . 7115 1 459 . 1 1 59 59 ASN H H 1 7.48 0.03 . 1 . . . . 59 ASN H . 7115 1 460 . 1 1 59 59 ASN HB2 H 1 3.12 0.03 . 1 . . . . 59 ASN HB2 . 7115 1 461 . 1 1 59 59 ASN HB3 H 1 2.56 0.03 . 1 . . . . 59 ASN HB3 . 7115 1 462 . 1 1 59 59 ASN C C 13 174.6 0.30 . 1 . . . . 59 ASN C . 7115 1 463 . 1 1 59 59 ASN CA C 13 53.1 0.30 . 1 . . . . 59 ASN CA . 7115 1 464 . 1 1 59 59 ASN N N 15 118.0 0.30 . 1 . . . . 59 ASN N . 7115 1 465 . 1 1 60 60 LEU H H 1 7.24 0.03 . 1 . . . . 60 LEU H . 7115 1 466 . 1 1 60 60 LEU C C 13 177.3 0.30 . 1 . . . . 60 LEU C . 7115 1 467 . 1 1 60 60 LEU CA C 13 54.3 0.30 . 1 . . . . 60 LEU CA . 7115 1 468 . 1 1 60 60 LEU N N 15 124.4 0.30 . 1 . . . . 60 LEU N . 7115 1 469 . 1 1 61 61 ARG H H 1 9.50 0.03 . 1 . . . . 61 ARG H . 7115 1 470 . 1 1 61 61 ARG C C 13 174.1 0.30 . 1 . . . . 61 ARG C . 7115 1 471 . 1 1 61 61 ARG CA C 13 54.2 0.30 . 1 . . . . 61 ARG CA . 7115 1 472 . 1 1 61 61 ARG N N 15 127.0 0.30 . 1 . . . . 61 ARG N . 7115 1 473 . 1 1 62 62 LEU H H 1 8.69 0.03 . 1 . . . . 62 LEU H . 7115 1 474 . 1 1 62 62 LEU HG H 1 0.39 0.03 . 1 . . . . 62 LEU HG . 7115 1 475 . 1 1 62 62 LEU HD11 H 1 0.28 0.03 . 1 . . . . 62 LEU HD1 . 7115 1 476 . 1 1 62 62 LEU HD12 H 1 0.28 0.03 . 1 . . . . 62 LEU HD1 . 7115 1 477 . 1 1 62 62 LEU HD13 H 1 0.28 0.03 . 1 . . . . 62 LEU HD1 . 7115 1 478 . 1 1 62 62 LEU HD21 H 1 -0.38 0.03 . 1 . . . . 62 LEU HD2 . 7115 1 479 . 1 1 62 62 LEU HD22 H 1 -0.38 0.03 . 1 . . . . 62 LEU HD2 . 7115 1 480 . 1 1 62 62 LEU HD23 H 1 -0.38 0.03 . 1 . . . . 62 LEU HD2 . 7115 1 481 . 1 1 62 62 LEU C C 13 176.8 0.30 . 1 . . . . 62 LEU C . 7115 1 482 . 1 1 62 62 LEU CA C 13 54.9 0.30 . 1 . . . . 62 LEU CA . 7115 1 483 . 1 1 62 62 LEU CB C 13 26.4 0.30 . 1 . . . . 62 LEU CB . 7115 1 484 . 1 1 62 62 LEU CD1 C 13 25.0 0.30 . 1 . . . . 62 LEU CD1 . 7115 1 485 . 1 1 62 62 LEU CD2 C 13 22.4 0.30 . 1 . . . . 62 LEU CD2 . 7115 1 486 . 1 1 62 62 LEU N N 15 129.0 0.30 . 1 . . . . 62 LEU N . 7115 1 487 . 1 1 63 63 ILE H H 1 9.34 0.03 . 1 . . . . 63 ILE H . 7115 1 488 . 1 1 63 63 ILE HA H 1 3.83 0.03 . 1 . . . . 63 ILE HA . 7115 1 489 . 1 1 63 63 ILE HB H 1 1.72 0.03 . 1 . . . . 63 ILE HB . 7115 1 490 . 1 1 63 63 ILE HG12 H 1 1.21 0.03 . 1 . . . . 63 ILE HG12 . 7115 1 491 . 1 1 63 63 ILE HG13 H 1 1.44 0.03 . 1 . . . . 63 ILE HG13 . 7115 1 492 . 1 1 63 63 ILE HG21 H 1 0.73 0.03 . 1 . . . . 63 ILE HG2 . 7115 1 493 . 1 1 63 63 ILE HG22 H 1 0.73 0.03 . 1 . . . . 63 ILE HG2 . 7115 1 494 . 1 1 63 63 ILE HG23 H 1 0.73 0.03 . 1 . . . . 63 ILE HG2 . 7115 1 495 . 1 1 63 63 ILE HD11 H 1 0.76 0.03 . 1 . . . . 63 ILE HD1 . 7115 1 496 . 1 1 63 63 ILE HD12 H 1 0.76 0.03 . 1 . . . . 63 ILE HD1 . 7115 1 497 . 1 1 63 63 ILE HD13 H 1 0.76 0.03 . 1 . . . . 63 ILE HD1 . 7115 1 498 . 1 1 63 63 ILE C C 13 176.0 0.30 . 1 . . . . 63 ILE C . 7115 1 499 . 1 1 63 63 ILE CA C 13 62.4 0.30 . 1 . . . . 63 ILE CA . 7115 1 500 . 1 1 63 63 ILE CG2 C 13 17.0 0.30 . 1 . . . . 63 ILE CG2 . 7115 1 501 . 1 1 63 63 ILE CD1 C 13 11.2 0.30 . 1 . . . . 63 ILE CD1 . 7115 1 502 . 1 1 63 63 ILE N N 15 129.4 0.30 . 1 . . . . 63 ILE N . 7115 1 503 . 1 1 64 64 SER H H 1 7.13 0.03 . 1 . . . . 64 SER H . 7115 1 504 . 1 1 64 64 SER HA H 1 4.19 0.03 . 1 . . . . 64 SER HA . 7115 1 505 . 1 1 64 64 SER HB2 H 1 3.80 0.03 . 1 . . . . 64 SER HB2 . 7115 1 506 . 1 1 64 64 SER HB3 H 1 3.36 0.03 . 1 . . . . 64 SER HB3 . 7115 1 507 . 1 1 64 64 SER C C 13 172.1 0.30 . 1 . . . . 64 SER C . 7115 1 508 . 1 1 64 64 SER CA C 13 57.6 0.30 . 1 . . . . 64 SER CA . 7115 1 509 . 1 1 64 64 SER N N 15 109.1 0.30 . 1 . . . . 64 SER N . 7115 1 510 . 1 1 65 65 LYS H H 1 8.11 0.03 . 1 . . . . 65 LYS H . 7115 1 511 . 1 1 65 65 LYS HA H 1 5.51 0.03 . 1 . . . . 65 LYS HA . 7115 1 512 . 1 1 65 65 LYS HZ1 H 1 6.93 0.03 . 2 . . . . 65 LYS HX . 7115 1 513 . 1 1 65 65 LYS HZ2 H 1 6.93 0.03 . 2 . . . . 65 LYS HX . 7115 1 514 . 1 1 65 65 LYS HZ3 H 1 6.93 0.03 . 2 . . . . 65 LYS HX . 7115 1 515 . 1 1 65 65 LYS C C 13 176.1 0.30 . 1 . . . . 65 LYS C . 7115 1 516 . 1 1 65 65 LYS CA C 13 55.0 0.30 . 1 . . . . 65 LYS CA . 7115 1 517 . 1 1 65 65 LYS N N 15 120.8 0.30 . 1 . . . . 65 LYS N . 7115 1 518 . 1 1 66 66 PHE H H 1 8.44 0.03 . 1 . . . . 66 PHE H . 7115 1 519 . 1 1 66 66 PHE HD1 H 1 6.76 0.03 . 3 . . . . 66 PHE HD1 . 7115 1 520 . 1 1 66 66 PHE C C 13 174.5 0.30 . 1 . . . . 66 PHE C . 7115 1 521 . 1 1 66 66 PHE CA C 13 56.4 0.30 . 1 . . . . 66 PHE CA . 7115 1 522 . 1 1 66 66 PHE N N 15 115.5 0.30 . 1 . . . . 66 PHE N . 7115 1 523 . 1 1 67 67 ASP H H 1 9.26 0.03 . 1 . . . . 67 ASP H . 7115 1 524 . 1 1 67 67 ASP C C 13 177.3 0.30 . 1 . . . . 67 ASP C . 7115 1 525 . 1 1 67 67 ASP CA C 13 53.7 0.30 . 1 . . . . 67 ASP CA . 7115 1 526 . 1 1 67 67 ASP N N 15 116.5 0.30 . 1 . . . . 67 ASP N . 7115 1 527 . 1 1 68 68 THR H H 1 7.46 0.03 . 1 . . . . 68 THR H . 7115 1 528 . 1 1 68 68 THR HB H 1 3.88 0.03 . 1 . . . . 68 THR HB . 7115 1 529 . 1 1 68 68 THR HG21 H 1 1.15 0.03 . 1 . . . . 68 THR HG2 . 7115 1 530 . 1 1 68 68 THR HG22 H 1 1.15 0.03 . 1 . . . . 68 THR HG2 . 7115 1 531 . 1 1 68 68 THR HG23 H 1 1.15 0.03 . 1 . . . . 68 THR HG2 . 7115 1 532 . 1 1 68 68 THR C C 13 174.1 0.30 . 1 . . . . 68 THR C . 7115 1 533 . 1 1 68 68 THR CA C 13 59.9 0.30 . 1 . . . . 68 THR CA . 7115 1 534 . 1 1 68 68 THR CG2 C 13 21.0 0.30 . 1 . . . . 68 THR CG2 . 7115 1 535 . 1 1 68 68 THR N N 15 107.1 0.30 . 1 . . . . 68 THR N . 7115 1 536 . 1 1 69 69 VAL H H 1 8.79 0.03 . 1 . . . . 69 VAL H . 7115 1 537 . 1 1 69 69 VAL HB H 1 1.97 0.03 . 1 . . . . 69 VAL HB . 7115 1 538 . 1 1 69 69 VAL HG11 H 1 0.88 0.03 . 2 . . . . 69 VAL HG1 . 7115 1 539 . 1 1 69 69 VAL HG12 H 1 0.88 0.03 . 2 . . . . 69 VAL HG1 . 7115 1 540 . 1 1 69 69 VAL HG13 H 1 0.88 0.03 . 2 . . . . 69 VAL HG1 . 7115 1 541 . 1 1 69 69 VAL HG21 H 1 0.94 0.03 . 2 . . . . 69 VAL HG2 . 7115 1 542 . 1 1 69 69 VAL HG22 H 1 0.94 0.03 . 2 . . . . 69 VAL HG2 . 7115 1 543 . 1 1 69 69 VAL HG23 H 1 0.94 0.03 . 2 . . . . 69 VAL HG2 . 7115 1 544 . 1 1 69 69 VAL C C 13 176.9 0.30 . 1 . . . . 69 VAL C . 7115 1 545 . 1 1 69 69 VAL CA C 13 65.9 0.30 . 1 . . . . 69 VAL CA . 7115 1 546 . 1 1 69 69 VAL CB C 13 32.9 0.30 . 1 . . . . 69 VAL CB . 7115 1 547 . 1 1 69 69 VAL CG1 C 13 22.6 0.30 . 1 . . . . 69 VAL CG1 . 7115 1 548 . 1 1 69 69 VAL CG2 C 13 21.6 0.30 . 1 . . . . 69 VAL CG2 . 7115 1 549 . 1 1 69 69 VAL N N 15 123.4 0.30 . 1 . . . . 69 VAL N . 7115 1 550 . 1 1 70 70 GLU H H 1 9.80 0.03 . 1 . . . . 70 GLU H . 7115 1 551 . 1 1 70 70 GLU C C 13 180.0 0.30 . 1 . . . . 70 GLU C . 7115 1 552 . 1 1 70 70 GLU CA C 13 61.4 0.30 . 1 . . . . 70 GLU CA . 7115 1 553 . 1 1 70 70 GLU N N 15 120.2 0.30 . 1 . . . . 70 GLU N . 7115 1 554 . 1 1 71 71 ASP H H 1 8.10 0.03 . 1 . . . . 71 ASP H . 7115 1 555 . 1 1 71 71 ASP HB2 H 1 2.74 0.03 . 2 . . . . 71 ASP HB2 . 7115 1 556 . 1 1 71 71 ASP C C 13 178.4 0.30 . 1 . . . . 71 ASP C . 7115 1 557 . 1 1 71 71 ASP CA C 13 56.6 0.30 . 1 . . . . 71 ASP CA . 7115 1 558 . 1 1 71 71 ASP N N 15 118.9 0.30 . 1 . . . . 71 ASP N . 7115 1 559 . 1 1 72 72 PHE H H 1 7.49 0.03 . 1 . . . . 72 PHE H . 7115 1 560 . 1 1 72 72 PHE HB2 H 1 2.32 0.03 . 2 . . . . 72 PHE HB2 . 7115 1 561 . 1 1 72 72 PHE HD1 H 1 6.78 0.03 . 3 . . . . 72 PHE HD1 . 7115 1 562 . 1 1 72 72 PHE HE1 H 1 6.79 0.03 . 3 . . . . 72 PHE HE1 . 7115 1 563 . 1 1 72 72 PHE C C 13 175.7 0.30 . 1 . . . . 72 PHE C . 7115 1 564 . 1 1 72 72 PHE CA C 13 60.7 0.30 . 1 . . . . 72 PHE CA . 7115 1 565 . 1 1 72 72 PHE N N 15 122.8 0.30 . 1 . . . . 72 PHE N . 7115 1 566 . 1 1 73 73 TRP H H 1 7.59 0.03 . 1 . . . . 73 TRP H . 7115 1 567 . 1 1 73 73 TRP HB2 H 1 2.77 0.03 . 1 . . . . 73 TRP HB2 . 7115 1 568 . 1 1 73 73 TRP HB3 H 1 3.04 0.03 . 1 . . . . 73 TRP HB3 . 7115 1 569 . 1 1 73 73 TRP HD1 H 1 7.05 0.03 . 1 . . . . 73 TRP HD1 . 7115 1 570 . 1 1 73 73 TRP HE1 H 1 10.05 0.03 . 1 . . . . 73 TRP HE1 . 7115 1 571 . 1 1 73 73 TRP HZ2 H 1 7.24 0.03 . 1 . . . . 73 TRP HZ2 . 7115 1 572 . 1 1 73 73 TRP HH2 H 1 6.95 0.03 . 1 . . . . 73 TRP HH2 . 7115 1 573 . 1 1 73 73 TRP C C 13 177.7 0.30 . 1 . . . . 73 TRP C . 7115 1 574 . 1 1 73 73 TRP CA C 13 59.7 0.30 . 1 . . . . 73 TRP CA . 7115 1 575 . 1 1 73 73 TRP N N 15 119.5 0.30 . 1 . . . . 73 TRP N . 7115 1 576 . 1 1 73 73 TRP NE1 N 15 127.5 0.30 . 1 . . . . 73 TRP NE1 . 7115 1 577 . 1 1 74 74 ALA H H 1 7.72 0.03 . 1 . . . . 74 ALA H . 7115 1 578 . 1 1 74 74 ALA HA H 1 3.96 0.03 . 1 . . . . 74 ALA HA . 7115 1 579 . 1 1 74 74 ALA HB1 H 1 1.24 0.03 . 1 . . . . 74 ALA HB . 7115 1 580 . 1 1 74 74 ALA HB2 H 1 1.24 0.03 . 1 . . . . 74 ALA HB . 7115 1 581 . 1 1 74 74 ALA HB3 H 1 1.24 0.03 . 1 . . . . 74 ALA HB . 7115 1 582 . 1 1 74 74 ALA C C 13 179.8 0.30 . 1 . . . . 74 ALA C . 7115 1 583 . 1 1 74 74 ALA CA C 13 54.4 0.30 . 1 . . . . 74 ALA CA . 7115 1 584 . 1 1 74 74 ALA CB C 13 17.7 0.30 . 1 . . . . 74 ALA CB . 7115 1 585 . 1 1 74 74 ALA N N 15 120.1 0.30 . 1 . . . . 74 ALA N . 7115 1 586 . 1 1 75 75 LEU H H 1 6.97 0.03 . 1 . . . . 75 LEU H . 7115 1 587 . 1 1 75 75 LEU HD11 H 1 0.99 0.03 . 2 . . . . 75 LEU HD1 . 7115 1 588 . 1 1 75 75 LEU HD12 H 1 0.99 0.03 . 2 . . . . 75 LEU HD1 . 7115 1 589 . 1 1 75 75 LEU HD13 H 1 0.99 0.03 . 2 . . . . 75 LEU HD1 . 7115 1 590 . 1 1 75 75 LEU HD21 H 1 0.61 0.03 . 2 . . . . 75 LEU HD2 . 7115 1 591 . 1 1 75 75 LEU HD22 H 1 0.61 0.03 . 2 . . . . 75 LEU HD2 . 7115 1 592 . 1 1 75 75 LEU HD23 H 1 0.61 0.03 . 2 . . . . 75 LEU HD2 . 7115 1 593 . 1 1 75 75 LEU C C 13 177.4 0.30 . 1 . . . . 75 LEU C . 7115 1 594 . 1 1 75 75 LEU CA C 13 56.7 0.30 . 1 . . . . 75 LEU CA . 7115 1 595 . 1 1 75 75 LEU N N 15 119.7 0.30 . 1 . . . . 75 LEU N . 7115 1 596 . 1 1 76 76 TYR H H 1 8.29 0.03 . 1 . . . . 76 TYR H . 7115 1 597 . 1 1 76 76 TYR C C 13 177.1 0.30 . 1 . . . . 76 TYR C . 7115 1 598 . 1 1 76 76 TYR CA C 13 61.8 0.30 . 1 . . . . 76 TYR CA . 7115 1 599 . 1 1 76 76 TYR N N 15 119.9 0.30 . 1 . . . . 76 TYR N . 7115 1 600 . 1 1 77 77 ASN H H 1 8.09 0.03 . 1 . . . . 77 ASN H . 7115 1 601 . 1 1 77 77 ASN C C 13 176.1 0.30 . 1 . . . . 77 ASN C . 7115 1 602 . 1 1 77 77 ASN CA C 13 54.0 0.30 . 1 . . . . 77 ASN CA . 7115 1 603 . 1 1 77 77 ASN N N 15 111.4 0.30 . 1 . . . . 77 ASN N . 7115 1 604 . 1 1 78 78 HIS H H 1 7.53 0.03 . 1 . . . . 78 HIS H . 7115 1 605 . 1 1 78 78 HIS HA H 1 4.47 0.03 . 1 . . . . 78 HIS HA . 7115 1 606 . 1 1 78 78 HIS HB2 H 1 3.12 0.03 . 1 . . . . 78 HIS HB2 . 7115 1 607 . 1 1 78 78 HIS HB3 H 1 2.89 0.03 . 1 . . . . 78 HIS HB3 . 7115 1 608 . 1 1 78 78 HIS C C 13 174.3 0.30 . 1 . . . . 78 HIS C . 7115 1 609 . 1 1 78 78 HIS CA C 13 56.6 0.30 . 1 . . . . 78 HIS CA . 7115 1 610 . 1 1 78 78 HIS CB C 13 30.7 0.30 . 1 . . . . 78 HIS CB . 7115 1 611 . 1 1 78 78 HIS N N 15 117.7 0.30 . 1 . . . . 78 HIS N . 7115 1 612 . 1 1 79 79 ILE H H 1 6.88 0.03 . 1 . . . . 79 ILE H . 7115 1 613 . 1 1 79 79 ILE HG21 H 1 0.59 0.03 . 1 . . . . 79 ILE HG2 . 7115 1 614 . 1 1 79 79 ILE HG22 H 1 0.59 0.03 . 1 . . . . 79 ILE HG2 . 7115 1 615 . 1 1 79 79 ILE HG23 H 1 0.59 0.03 . 1 . . . . 79 ILE HG2 . 7115 1 616 . 1 1 79 79 ILE HD11 H 1 0.23 0.03 . 1 . . . . 79 ILE HD1 . 7115 1 617 . 1 1 79 79 ILE HD12 H 1 0.23 0.03 . 1 . . . . 79 ILE HD1 . 7115 1 618 . 1 1 79 79 ILE HD13 H 1 0.23 0.03 . 1 . . . . 79 ILE HD1 . 7115 1 619 . 1 1 79 79 ILE C C 13 176.1 0.30 . 1 . . . . 79 ILE C . 7115 1 620 . 1 1 79 79 ILE CA C 13 59.8 0.30 . 1 . . . . 79 ILE CA . 7115 1 621 . 1 1 79 79 ILE CD1 C 13 13.4 0.30 . 1 . . . . 79 ILE CD1 . 7115 1 622 . 1 1 79 79 ILE N N 15 114.0 0.30 . 1 . . . . 79 ILE N . 7115 1 623 . 1 1 80 80 GLN H H 1 8.08 0.03 . 1 . . . . 80 GLN H . 7115 1 624 . 1 1 80 80 GLN HB2 H 1 1.79 0.03 . 1 . . . . 80 GLN HB2 . 7115 1 625 . 1 1 80 80 GLN HB3 H 1 1.54 0.03 . 1 . . . . 80 GLN HB3 . 7115 1 626 . 1 1 80 80 GLN HG2 H 1 2.39 0.03 . 2 . . . . 80 GLN HG2 . 7115 1 627 . 1 1 80 80 GLN C C 13 178.2 0.30 . 1 . . . . 80 GLN C . 7115 1 628 . 1 1 80 80 GLN CA C 13 56.1 0.30 . 1 . . . . 80 GLN CA . 7115 1 629 . 1 1 80 80 GLN N N 15 121.7 0.30 . 1 . . . . 80 GLN N . 7115 1 630 . 1 1 81 81 LEU H H 1 8.64 0.03 . 1 . . . . 81 LEU H . 7115 1 631 . 1 1 81 81 LEU HB2 H 1 1.49 0.03 . 2 . . . . 81 LEU HB2 . 7115 1 632 . 1 1 81 81 LEU HG H 1 1.43 0.03 . 1 . . . . 81 LEU HG . 7115 1 633 . 1 1 81 81 LEU HD11 H 1 0.70 0.03 . 2 . . . . 81 LEU HD1 . 7115 1 634 . 1 1 81 81 LEU HD12 H 1 0.70 0.03 . 2 . . . . 81 LEU HD1 . 7115 1 635 . 1 1 81 81 LEU HD13 H 1 0.70 0.03 . 2 . . . . 81 LEU HD1 . 7115 1 636 . 1 1 81 81 LEU HD21 H 1 0.68 0.03 . 2 . . . . 81 LEU HD2 . 7115 1 637 . 1 1 81 81 LEU HD22 H 1 0.68 0.03 . 2 . . . . 81 LEU HD2 . 7115 1 638 . 1 1 81 81 LEU HD23 H 1 0.68 0.03 . 2 . . . . 81 LEU HD2 . 7115 1 639 . 1 1 81 81 LEU C C 13 178.3 0.30 . 1 . . . . 81 LEU C . 7115 1 640 . 1 1 81 81 LEU CG C 13 26.5 0.30 . 1 . . . . 81 LEU CG . 7115 1 641 . 1 1 81 81 LEU CD1 C 13 25.3 0.30 . 1 . . . . 81 LEU CD1 . 7115 1 642 . 1 1 81 81 LEU CD2 C 13 20.3 0.30 . 1 . . . . 81 LEU CD2 . 7115 1 643 . 1 1 81 81 LEU N N 15 128.5 0.30 . 1 . . . . 81 LEU N . 7115 1 644 . 1 1 82 82 SER H H 1 9.43 0.03 . 1 . . . . 82 SER H . 7115 1 645 . 1 1 82 82 SER C C 13 175.8 0.30 . 1 . . . . 82 SER C . 7115 1 646 . 1 1 82 82 SER N N 15 121.3 0.30 . 1 . . . . 82 SER N . 7115 1 647 . 1 1 83 83 SER H H 1 9.36 0.03 . 1 . . . . 83 SER H . 7115 1 648 . 1 1 83 83 SER C C 13 175.5 0.30 . 1 . . . . 83 SER C . 7115 1 649 . 1 1 83 83 SER CA C 13 60.1 0.30 . 1 . . . . 83 SER CA . 7115 1 650 . 1 1 83 83 SER N N 15 114.1 0.30 . 1 . . . . 83 SER N . 7115 1 651 . 1 1 84 84 ASN H H 1 7.81 0.03 . 1 . . . . 84 ASN H . 7115 1 652 . 1 1 84 84 ASN HA H 1 3.65 0.03 . 1 . . . . 84 ASN HA . 7115 1 653 . 1 1 84 84 ASN HB2 H 1 2.81 0.03 . 1 . . . . 84 ASN HB2 . 7115 1 654 . 1 1 84 84 ASN HB3 H 1 2.39 0.03 . 1 . . . . 84 ASN HB3 . 7115 1 655 . 1 1 84 84 ASN C C 13 175.4 0.30 . 1 . . . . 84 ASN C . 7115 1 656 . 1 1 84 84 ASN CA C 13 52.1 0.30 . 1 . . . . 84 ASN CA . 7115 1 657 . 1 1 84 84 ASN N N 15 120.1 0.30 . 1 . . . . 84 ASN N . 7115 1 658 . 1 1 85 85 LEU H H 1 7.44 0.03 . 1 . . . . 85 LEU H . 7115 1 659 . 1 1 85 85 LEU HG H 1 0.67 0.03 . 1 . . . . 85 LEU HG . 7115 1 660 . 1 1 85 85 LEU HD11 H 1 0.43 0.03 . 2 . . . . 85 LEU HD1 . 7115 1 661 . 1 1 85 85 LEU HD12 H 1 0.43 0.03 . 2 . . . . 85 LEU HD1 . 7115 1 662 . 1 1 85 85 LEU HD13 H 1 0.43 0.03 . 2 . . . . 85 LEU HD1 . 7115 1 663 . 1 1 85 85 LEU HD21 H 1 0.23 0.03 . 2 . . . . 85 LEU HD2 . 7115 1 664 . 1 1 85 85 LEU HD22 H 1 0.23 0.03 . 2 . . . . 85 LEU HD2 . 7115 1 665 . 1 1 85 85 LEU HD23 H 1 0.23 0.03 . 2 . . . . 85 LEU HD2 . 7115 1 666 . 1 1 85 85 LEU C C 13 176.6 0.30 . 1 . . . . 85 LEU C . 7115 1 667 . 1 1 85 85 LEU CA C 13 54.5 0.30 . 1 . . . . 85 LEU CA . 7115 1 668 . 1 1 85 85 LEU CD1 C 13 22.4 0.30 . 1 . . . . 85 LEU CD1 . 7115 1 669 . 1 1 85 85 LEU N N 15 122.5 0.30 . 1 . . . . 85 LEU N . 7115 1 670 . 1 1 86 86 MET H H 1 8.00 0.03 . 1 . . . . 86 MET H . 7115 1 671 . 1 1 86 86 MET HB2 H 1 1.84 0.03 . 1 . . . . 86 MET HB2 . 7115 1 672 . 1 1 86 86 MET HB3 H 1 1.75 0.03 . 1 . . . . 86 MET HB3 . 7115 1 673 . 1 1 86 86 MET HG2 H 1 2.56 0.03 . 1 . . . . 86 MET HG2 . 7115 1 674 . 1 1 86 86 MET HG3 H 1 2.45 0.03 . 1 . . . . 86 MET HG3 . 7115 1 675 . 1 1 86 86 MET CB C 13 31.6 0.30 . 1 . . . . 86 MET CB . 7115 1 676 . 1 1 86 86 MET CG C 13 31.9 0.30 . 1 . . . . 86 MET CG . 7115 1 677 . 1 1 86 86 MET N N 15 120.3 0.30 . 1 . . . . 86 MET N . 7115 1 678 . 1 1 87 87 PRO C C 13 177.5 0.30 . 1 . . . . 87 PRO C . 7115 1 679 . 1 1 88 88 GLY H H 1 8.89 0.03 . 1 . . . . 88 GLY H . 7115 1 680 . 1 1 88 88 GLY C C 13 173.8 0.30 . 1 . . . . 88 GLY C . 7115 1 681 . 1 1 88 88 GLY CA C 13 44.2 0.30 . 1 . . . . 88 GLY CA . 7115 1 682 . 1 1 88 88 GLY N N 15 111.9 0.30 . 1 . . . . 88 GLY N . 7115 1 683 . 1 1 89 89 CYS H H 1 7.32 0.03 . 1 . . . . 89 CYS H . 7115 1 684 . 1 1 89 89 CYS HB2 H 1 2.78 0.03 . 1 . . . . 89 CYS HB2 . 7115 1 685 . 1 1 89 89 CYS HB3 H 1 2.49 0.03 . 1 . . . . 89 CYS HB3 . 7115 1 686 . 1 1 89 89 CYS C C 13 172.5 0.30 . 1 . . . . 89 CYS C . 7115 1 687 . 1 1 89 89 CYS CA C 13 58.0 0.30 . 1 . . . . 89 CYS CA . 7115 1 688 . 1 1 89 89 CYS N N 15 118.7 0.30 . 1 . . . . 89 CYS N . 7115 1 689 . 1 1 90 90 ASP H H 1 8.29 0.03 . 1 . . . . 90 ASP H . 7115 1 690 . 1 1 90 90 ASP C C 13 177.7 0.30 . 1 . . . . 90 ASP C . 7115 1 691 . 1 1 90 90 ASP CA C 13 51.9 0.30 . 1 . . . . 90 ASP CA . 7115 1 692 . 1 1 90 90 ASP N N 15 117.9 0.30 . 1 . . . . 90 ASP N . 7115 1 693 . 1 1 91 91 TYR H H 1 7.71 0.03 . 1 . . . . 91 TYR H . 7115 1 694 . 1 1 91 91 TYR HD1 H 1 7.35 0.03 . 3 . . . . 91 TYR HD1 . 7115 1 695 . 1 1 91 91 TYR HE1 H 1 6.55 0.03 . 3 . . . . 91 TYR HE1 . 7115 1 696 . 1 1 91 91 TYR C C 13 175.9 0.30 . 1 . . . . 91 TYR C . 7115 1 697 . 1 1 91 91 TYR CA C 13 56.4 0.30 . 1 . . . . 91 TYR CA . 7115 1 698 . 1 1 91 91 TYR N N 15 115.6 0.30 . 1 . . . . 91 TYR N . 7115 1 699 . 1 1 92 92 SER H H 1 9.02 0.03 . 1 . . . . 92 SER H . 7115 1 700 . 1 1 92 92 SER HB2 H 1 3.89 0.03 . 1 . . . . 92 SER HB2 . 7115 1 701 . 1 1 92 92 SER HB3 H 1 3.75 0.03 . 1 . . . . 92 SER HB3 . 7115 1 702 . 1 1 92 92 SER C C 13 173.0 0.30 . 1 . . . . 92 SER C . 7115 1 703 . 1 1 92 92 SER CA C 13 57.2 0.30 . 1 . . . . 92 SER CA . 7115 1 704 . 1 1 92 92 SER N N 15 111.9 0.30 . 1 . . . . 92 SER N . 7115 1 705 . 1 1 93 93 LEU H H 1 9.49 0.03 . 1 . . . . 93 LEU H . 7115 1 706 . 1 1 93 93 LEU HG H 1 1.39 0.03 . 1 . . . . 93 LEU HG . 7115 1 707 . 1 1 93 93 LEU HD11 H 1 0.11 0.03 . 2 . . . . 93 LEU HD1 . 7115 1 708 . 1 1 93 93 LEU HD12 H 1 0.11 0.03 . 2 . . . . 93 LEU HD1 . 7115 1 709 . 1 1 93 93 LEU HD13 H 1 0.11 0.03 . 2 . . . . 93 LEU HD1 . 7115 1 710 . 1 1 93 93 LEU HD21 H 1 0.49 0.03 . 2 . . . . 93 LEU HD2 . 7115 1 711 . 1 1 93 93 LEU HD22 H 1 0.49 0.03 . 2 . . . . 93 LEU HD2 . 7115 1 712 . 1 1 93 93 LEU HD23 H 1 0.49 0.03 . 2 . . . . 93 LEU HD2 . 7115 1 713 . 1 1 93 93 LEU C C 13 174.9 0.30 . 1 . . . . 93 LEU C . 7115 1 714 . 1 1 93 93 LEU CA C 13 53.9 0.30 . 1 . . . . 93 LEU CA . 7115 1 715 . 1 1 93 93 LEU CG C 13 27.4 0.30 . 1 . . . . 93 LEU CG . 7115 1 716 . 1 1 93 93 LEU CD1 C 13 25.3 0.30 . 1 . . . . 93 LEU CD1 . 7115 1 717 . 1 1 93 93 LEU N N 15 127.0 0.30 . 1 . . . . 93 LEU N . 7115 1 718 . 1 1 94 94 PHE H H 1 9.50 0.03 . 1 . . . . 94 PHE H . 7115 1 719 . 1 1 94 94 PHE HA H 1 5.44 0.03 . 1 . . . . 94 PHE HA . 7115 1 720 . 1 1 94 94 PHE HB2 H 1 3.15 0.03 . 1 . . . . 94 PHE HB2 . 7115 1 721 . 1 1 94 94 PHE HB3 H 1 2.99 0.03 . 1 . . . . 94 PHE HB3 . 7115 1 722 . 1 1 94 94 PHE HD1 H 1 6.70 0.03 . 3 . . . . 94 PHE HD1 . 7115 1 723 . 1 1 94 94 PHE HE1 H 1 6.84 0.03 . 3 . . . . 94 PHE HE1 . 7115 1 724 . 1 1 94 94 PHE C C 13 176.1 0.30 . 1 . . . . 94 PHE C . 7115 1 725 . 1 1 94 94 PHE CA C 13 56.0 0.30 . 1 . . . . 94 PHE CA . 7115 1 726 . 1 1 94 94 PHE N N 15 126.5 0.30 . 1 . . . . 94 PHE N . 7115 1 727 . 1 1 95 95 LYS H H 1 7.83 0.03 . 1 . . . . 95 LYS H . 7115 1 728 . 1 1 95 95 LYS C C 13 176.5 0.30 . 1 . . . . 95 LYS C . 7115 1 729 . 1 1 95 95 LYS CA C 13 57.4 0.30 . 1 . . . . 95 LYS CA . 7115 1 730 . 1 1 95 95 LYS N N 15 123.8 0.30 . 1 . . . . 95 LYS N . 7115 1 731 . 1 1 96 96 ASP H H 1 8.04 0.03 . 1 . . . . 96 ASP H . 7115 1 732 . 1 1 96 96 ASP HB2 H 1 1.87 0.03 . 1 . . . . 96 ASP HB2 . 7115 1 733 . 1 1 96 96 ASP HB3 H 1 1.94 0.03 . 1 . . . . 96 ASP HB3 . 7115 1 734 . 1 1 96 96 ASP C C 13 176.8 0.30 . 1 . . . . 96 ASP C . 7115 1 735 . 1 1 96 96 ASP CA C 13 55.6 0.30 . 1 . . . . 96 ASP CA . 7115 1 736 . 1 1 96 96 ASP N N 15 121.2 0.30 . 1 . . . . 96 ASP N . 7115 1 737 . 1 1 97 97 GLY H H 1 8.83 0.03 . 1 . . . . 97 GLY H . 7115 1 738 . 1 1 97 97 GLY HA2 H 1 4.10 0.03 . 1 . . . . 97 GLY HA2 . 7115 1 739 . 1 1 97 97 GLY HA3 H 1 3.47 0.03 . 1 . . . . 97 GLY HA3 . 7115 1 740 . 1 1 97 97 GLY C C 13 173.8 0.30 . 1 . . . . 97 GLY C . 7115 1 741 . 1 1 97 97 GLY CA C 13 44.1 0.30 . 1 . . . . 97 GLY CA . 7115 1 742 . 1 1 97 97 GLY N N 15 115.5 0.30 . 1 . . . . 97 GLY N . 7115 1 743 . 1 1 98 98 ILE H H 1 7.93 0.03 . 1 . . . . 98 ILE H . 7115 1 744 . 1 1 98 98 ILE HG12 H 1 1.50 0.03 . 1 . . . . 98 ILE HG12 . 7115 1 745 . 1 1 98 98 ILE HG13 H 1 1.76 0.03 . 1 . . . . 98 ILE HG13 . 7115 1 746 . 1 1 98 98 ILE HG21 H 1 1.31 0.03 . 1 . . . . 98 ILE HG2 . 7115 1 747 . 1 1 98 98 ILE HG22 H 1 1.31 0.03 . 1 . . . . 98 ILE HG2 . 7115 1 748 . 1 1 98 98 ILE HG23 H 1 1.31 0.03 . 1 . . . . 98 ILE HG2 . 7115 1 749 . 1 1 98 98 ILE HD11 H 1 0.76 0.03 . 1 . . . . 98 ILE HD1 . 7115 1 750 . 1 1 98 98 ILE HD12 H 1 0.76 0.03 . 1 . . . . 98 ILE HD1 . 7115 1 751 . 1 1 98 98 ILE HD13 H 1 0.76 0.03 . 1 . . . . 98 ILE HD1 . 7115 1 752 . 1 1 98 98 ILE C C 13 175.9 0.30 . 1 . . . . 98 ILE C . 7115 1 753 . 1 1 98 98 ILE CA C 13 60.6 0.30 . 1 . . . . 98 ILE CA . 7115 1 754 . 1 1 98 98 ILE N N 15 121.5 0.30 . 1 . . . . 98 ILE N . 7115 1 755 . 1 1 99 99 GLU H H 1 8.59 0.03 . 1 . . . . 99 GLU H . 7115 1 756 . 1 1 99 99 GLU CA C 13 53.9 0.30 . 1 . . . . 99 GLU CA . 7115 1 757 . 1 1 99 99 GLU N N 15 129.7 0.30 . 1 . . . . 99 GLU N . 7115 1 758 . 1 1 100 100 PRO C C 13 172.5 0.30 . 1 . . . . 100 PRO C . 7115 1 759 . 1 1 100 100 PRO CA C 13 60.6 0.30 . 1 . . . . 100 PRO CA . 7115 1 760 . 1 1 101 101 MET H H 1 8.01 0.03 . 1 . . . . 101 MET H . 7115 1 761 . 1 1 101 101 MET HA H 1 5.45 0.03 . 1 . . . . 101 MET HA . 7115 1 762 . 1 1 101 101 MET HB2 H 1 1.61 0.03 . 1 . . . . 101 MET HB2 . 7115 1 763 . 1 1 101 101 MET HB3 H 1 1.69 0.03 . 1 . . . . 101 MET HB3 . 7115 1 764 . 1 1 101 101 MET HG2 H 1 2.21 0.03 . 1 . . . . 101 MET HG2 . 7115 1 765 . 1 1 101 101 MET HG3 H 1 2.44 0.03 . 1 . . . . 101 MET HG3 . 7115 1 766 . 1 1 101 101 MET C C 13 176.8 0.30 . 1 . . . . 101 MET C . 7115 1 767 . 1 1 101 101 MET CA C 13 53.6 0.30 . 1 . . . . 101 MET CA . 7115 1 768 . 1 1 101 101 MET N N 15 119.1 0.30 . 1 . . . . 101 MET N . 7115 1 769 . 1 1 102 102 TRP H H 1 9.09 0.03 . 1 . . . . 102 TRP H . 7115 1 770 . 1 1 102 102 TRP HB2 H 1 2.15 0.03 . 1 . . . . 102 TRP HB2 . 7115 1 771 . 1 1 102 102 TRP HB3 H 1 2.53 0.03 . 1 . . . . 102 TRP HB3 . 7115 1 772 . 1 1 102 102 TRP HE1 H 1 9.68 0.03 . 1 . . . . 102 TRP HE1 . 7115 1 773 . 1 1 102 102 TRP CA C 13 59.7 0.30 . 1 . . . . 102 TRP CA . 7115 1 774 . 1 1 102 102 TRP N N 15 127.9 0.30 . 1 . . . . 102 TRP N . 7115 1 775 . 1 1 102 102 TRP NE1 N 15 130.2 0.30 . 1 . . . . 102 TRP NE1 . 7115 1 776 . 1 1 103 103 GLU H H 1 7.24 0.03 . 1 . . . . 103 GLU H . 7115 1 777 . 1 1 103 103 GLU HB2 H 1 1.88 0.03 . 1 . . . . 103 GLU HB2 . 7115 1 778 . 1 1 103 103 GLU HB3 H 1 1.82 0.03 . 1 . . . . 103 GLU HB3 . 7115 1 779 . 1 1 103 103 GLU HG2 H 1 2.12 0.03 . 2 . . . . 103 GLU HG2 . 7115 1 780 . 1 1 103 103 GLU C C 13 177.7 0.30 . 1 . . . . 103 GLU C . 7115 1 781 . 1 1 103 103 GLU CA C 13 57.1 0.30 . 1 . . . . 103 GLU CA . 7115 1 782 . 1 1 103 103 GLU N N 15 113.0 0.30 . 1 . . . . 103 GLU N . 7115 1 783 . 1 1 104 104 ASP H H 1 6.80 0.03 . 1 . . . . 104 ASP H . 7115 1 784 . 1 1 104 104 ASP HA H 1 3.68 0.03 . 1 . . . . 104 ASP HA . 7115 1 785 . 1 1 104 104 ASP C C 13 178.0 0.30 . 1 . . . . 104 ASP C . 7115 1 786 . 1 1 104 104 ASP CA C 13 54.8 0.30 . 1 . . . . 104 ASP CA . 7115 1 787 . 1 1 104 104 ASP N N 15 120.9 0.30 . 1 . . . . 104 ASP N . 7115 1 788 . 1 1 105 105 GLU H H 1 9.01 0.03 . 1 . . . . 105 GLU H . 7115 1 789 . 1 1 105 105 GLU HA H 1 4.14 0.03 . 1 . . . . 105 GLU HA . 7115 1 790 . 1 1 105 105 GLU HB2 H 1 1.91 0.03 . 1 . . . . 105 GLU HB2 . 7115 1 791 . 1 1 105 105 GLU HB3 H 1 1.84 0.03 . 1 . . . . 105 GLU HB3 . 7115 1 792 . 1 1 105 105 GLU HG2 H 1 2.14 0.03 . 2 . . . . 105 GLU HG2 . 7115 1 793 . 1 1 105 105 GLU C C 13 178.3 0.30 . 1 . . . . 105 GLU C . 7115 1 794 . 1 1 105 105 GLU CA C 13 59.8 0.30 . 1 . . . . 105 GLU CA . 7115 1 795 . 1 1 105 105 GLU CB C 13 29.6 0.30 . 1 . . . . 105 GLU CB . 7115 1 796 . 1 1 105 105 GLU N N 15 129.4 0.30 . 1 . . . . 105 GLU N . 7115 1 797 . 1 1 106 106 LYS H H 1 9.54 0.03 . 1 . . . . 106 LYS H . 7115 1 798 . 1 1 106 106 LYS C C 13 177.0 0.30 . 1 . . . . 106 LYS C . 7115 1 799 . 1 1 106 106 LYS CA C 13 56.5 0.30 . 1 . . . . 106 LYS CA . 7115 1 800 . 1 1 106 106 LYS N N 15 116.0 0.30 . 1 . . . . 106 LYS N . 7115 1 801 . 1 1 107 107 ASN H H 1 8.13 0.03 . 1 . . . . 107 ASN H . 7115 1 802 . 1 1 107 107 ASN HB2 H 1 2.46 0.03 . 1 . . . . 107 ASN HB2 . 7115 1 803 . 1 1 107 107 ASN HB3 H 1 2.81 0.03 . 1 . . . . 107 ASN HB3 . 7115 1 804 . 1 1 107 107 ASN C C 13 177.8 0.30 . 1 . . . . 107 ASN C . 7115 1 805 . 1 1 107 107 ASN CA C 13 53.4 0.30 . 1 . . . . 107 ASN CA . 7115 1 806 . 1 1 107 107 ASN N N 15 115.2 0.30 . 1 . . . . 107 ASN N . 7115 1 807 . 1 1 108 108 LYS H H 1 8.04 0.03 . 1 . . . . 108 LYS H . 7115 1 808 . 1 1 108 108 LYS HA H 1 4.15 0.03 . 1 . . . . 108 LYS HA . 7115 1 809 . 1 1 108 108 LYS HB2 H 1 1.69 0.03 . 1 . . . . 108 LYS HB2 . 7115 1 810 . 1 1 108 108 LYS HB3 H 1 1.79 0.03 . 1 . . . . 108 LYS HB3 . 7115 1 811 . 1 1 108 108 LYS C C 13 179.0 0.30 . 1 . . . . 108 LYS C . 7115 1 812 . 1 1 108 108 LYS CA C 13 60.5 0.30 . 1 . . . . 108 LYS CA . 7115 1 813 . 1 1 108 108 LYS N N 15 123.3 0.30 . 1 . . . . 108 LYS N . 7115 1 814 . 1 1 109 109 ARG H H 1 9.21 0.03 . 1 . . . . 109 ARG H . 7115 1 815 . 1 1 109 109 ARG HA H 1 4.41 0.03 . 1 . . . . 109 ARG HA . 7115 1 816 . 1 1 109 109 ARG HB2 H 1 1.48 0.03 . 1 . . . . 109 ARG HB2 . 7115 1 817 . 1 1 109 109 ARG HB3 H 1 1.39 0.03 . 1 . . . . 109 ARG HB3 . 7115 1 818 . 1 1 109 109 ARG C C 13 176.7 0.30 . 1 . . . . 109 ARG C . 7115 1 819 . 1 1 109 109 ARG CA C 13 55.6 0.30 . 1 . . . . 109 ARG CA . 7115 1 820 . 1 1 109 109 ARG N N 15 122.3 0.30 . 1 . . . . 109 ARG N . 7115 1 821 . 1 1 110 110 GLY H H 1 8.47 0.03 . 1 . . . . 110 GLY H . 7115 1 822 . 1 1 110 110 GLY HA2 H 1 4.17 0.03 . 2 . . . . 110 GLY HA2 . 7115 1 823 . 1 1 110 110 GLY C C 13 173.6 0.30 . 1 . . . . 110 GLY C . 7115 1 824 . 1 1 110 110 GLY CA C 13 44.1 0.30 . 1 . . . . 110 GLY CA . 7115 1 825 . 1 1 110 110 GLY N N 15 110.8 0.30 . 1 . . . . 110 GLY N . 7115 1 826 . 1 1 111 111 GLY H H 1 7.41 0.03 . 1 . . . . 111 GLY H . 7115 1 827 . 1 1 111 111 GLY HA2 H 1 3.77 0.03 . 1 . . . . 111 GLY HA2 . 7115 1 828 . 1 1 111 111 GLY HA3 H 1 4.11 0.03 . 1 . . . . 111 GLY HA3 . 7115 1 829 . 1 1 111 111 GLY C C 13 177.1 0.30 . 1 . . . . 111 GLY C . 7115 1 830 . 1 1 111 111 GLY CA C 13 44.7 0.30 . 1 . . . . 111 GLY CA . 7115 1 831 . 1 1 111 111 GLY N N 15 112.9 0.30 . 1 . . . . 111 GLY N . 7115 1 832 . 1 1 112 112 ARG H H 1 7.23 0.03 . 1 . . . . 112 ARG H . 7115 1 833 . 1 1 112 112 ARG C C 13 174.1 0.30 . 1 . . . . 112 ARG C . 7115 1 834 . 1 1 112 112 ARG CA C 13 51.9 0.30 . 1 . . . . 112 ARG CA . 7115 1 835 . 1 1 112 112 ARG N N 15 114.5 0.30 . 1 . . . . 112 ARG N . 7115 1 836 . 1 1 113 113 TRP H H 1 8.78 0.03 . 1 . . . . 113 TRP H . 7115 1 837 . 1 1 113 113 TRP HB2 H 1 3.09 0.03 . 1 . . . . 113 TRP HB2 . 7115 1 838 . 1 1 113 113 TRP HB3 H 1 2.90 0.03 . 1 . . . . 113 TRP HB3 . 7115 1 839 . 1 1 113 113 TRP HE1 H 1 9.51 0.03 . 1 . . . . 113 TRP HE1 . 7115 1 840 . 1 1 113 113 TRP HE3 H 1 7.25 0.03 . 1 . . . . 113 TRP HE3 . 7115 1 841 . 1 1 113 113 TRP HZ3 H 1 6.57 0.03 . 1 . . . . 113 TRP HZ3 . 7115 1 842 . 1 1 113 113 TRP C C 13 175.2 0.30 . 1 . . . . 113 TRP C . 7115 1 843 . 1 1 113 113 TRP CA C 13 56.3 0.30 . 1 . . . . 113 TRP CA . 7115 1 844 . 1 1 113 113 TRP N N 15 124.0 0.30 . 1 . . . . 113 TRP N . 7115 1 845 . 1 1 113 113 TRP NE1 N 15 128.2 0.30 . 1 . . . . 113 TRP NE1 . 7115 1 846 . 1 1 114 114 LEU H H 1 8.62 0.03 . 1 . . . . 114 LEU H . 7115 1 847 . 1 1 114 114 LEU HG H 1 1.24 0.03 . 1 . . . . 114 LEU HG . 7115 1 848 . 1 1 114 114 LEU HD21 H 1 0.69 0.03 . 2 . . . . 114 LEU HD2 . 7115 1 849 . 1 1 114 114 LEU HD22 H 1 0.69 0.03 . 2 . . . . 114 LEU HD2 . 7115 1 850 . 1 1 114 114 LEU HD23 H 1 0.69 0.03 . 2 . . . . 114 LEU HD2 . 7115 1 851 . 1 1 114 114 LEU C C 13 174.7 0.30 . 1 . . . . 114 LEU C . 7115 1 852 . 1 1 114 114 LEU CA C 13 54.2 0.30 . 1 . . . . 114 LEU CA . 7115 1 853 . 1 1 114 114 LEU CD2 C 13 24.5 0.30 . 1 . . . . 114 LEU CD2 . 7115 1 854 . 1 1 114 114 LEU N N 15 124.9 0.30 . 1 . . . . 114 LEU N . 7115 1 855 . 1 1 115 115 ILE H H 1 9.71 0.03 . 1 . . . . 115 ILE H . 7115 1 856 . 1 1 115 115 ILE HB H 1 1.82 0.03 . 1 . . . . 115 ILE HB . 7115 1 857 . 1 1 115 115 ILE HG12 H 1 1.27 0.03 . 1 . . . . 115 ILE HG12 . 7115 1 858 . 1 1 115 115 ILE HG13 H 1 1.02 0.03 . 1 . . . . 115 ILE HG13 . 7115 1 859 . 1 1 115 115 ILE HG21 H 1 0.63 0.03 . 1 . . . . 115 ILE HG2 . 7115 1 860 . 1 1 115 115 ILE HG22 H 1 0.63 0.03 . 1 . . . . 115 ILE HG2 . 7115 1 861 . 1 1 115 115 ILE HG23 H 1 0.63 0.03 . 1 . . . . 115 ILE HG2 . 7115 1 862 . 1 1 115 115 ILE HD11 H 1 0.37 0.03 . 1 . . . . 115 ILE HD1 . 7115 1 863 . 1 1 115 115 ILE HD12 H 1 0.37 0.03 . 1 . . . . 115 ILE HD1 . 7115 1 864 . 1 1 115 115 ILE HD13 H 1 0.37 0.03 . 1 . . . . 115 ILE HD1 . 7115 1 865 . 1 1 115 115 ILE C C 13 174.8 0.30 . 1 . . . . 115 ILE C . 7115 1 866 . 1 1 115 115 ILE CA C 13 59.2 0.30 . 1 . . . . 115 ILE CA . 7115 1 867 . 1 1 115 115 ILE CB C 13 39.3 0.30 . 1 . . . . 115 ILE CB . 7115 1 868 . 1 1 115 115 ILE CG1 C 13 27.1 0.30 . 1 . . . . 115 ILE CG1 . 7115 1 869 . 1 1 115 115 ILE CG2 C 13 16.6 0.30 . 1 . . . . 115 ILE CG2 . 7115 1 870 . 1 1 115 115 ILE CD1 C 13 12.8 0.30 . 1 . . . . 115 ILE CD1 . 7115 1 871 . 1 1 115 115 ILE N N 15 127.5 0.30 . 1 . . . . 115 ILE N . 7115 1 872 . 1 1 116 116 THR H H 1 8.20 0.03 . 1 . . . . 116 THR H . 7115 1 873 . 1 1 116 116 THR HA H 1 4.46 0.03 . 1 . . . . 116 THR HA . 7115 1 874 . 1 1 116 116 THR HB H 1 4.00 0.03 . 1 . . . . 116 THR HB . 7115 1 875 . 1 1 116 116 THR HG21 H 1 0.97 0.03 . 1 . . . . 116 THR HG2 . 7115 1 876 . 1 1 116 116 THR HG22 H 1 0.97 0.03 . 1 . . . . 116 THR HG2 . 7115 1 877 . 1 1 116 116 THR HG23 H 1 0.97 0.03 . 1 . . . . 116 THR HG2 . 7115 1 878 . 1 1 116 116 THR C C 13 174.2 0.30 . 1 . . . . 116 THR C . 7115 1 879 . 1 1 116 116 THR CA C 13 60.4 0.30 . 1 . . . . 116 THR CA . 7115 1 880 . 1 1 116 116 THR CB C 13 69.7 0.30 . 1 . . . . 116 THR CB . 7115 1 881 . 1 1 116 116 THR CG2 C 13 20.9 0.30 . 1 . . . . 116 THR CG2 . 7115 1 882 . 1 1 116 116 THR N N 15 119.4 0.30 . 1 . . . . 116 THR N . 7115 1 883 . 1 1 117 117 LEU H H 1 8.70 0.03 . 1 . . . . 117 LEU H . 7115 1 884 . 1 1 117 117 LEU HB2 H 1 1.55 0.03 . 1 . . . . 117 LEU HB2 . 7115 1 885 . 1 1 117 117 LEU HB3 H 1 1.39 0.03 . 1 . . . . 117 LEU HB3 . 7115 1 886 . 1 1 117 117 LEU HG H 1 1.48 0.03 . 1 . . . . 117 LEU HG . 7115 1 887 . 1 1 117 117 LEU HD11 H 1 0.96 0.03 . 2 . . . . 117 LEU HD1 . 7115 1 888 . 1 1 117 117 LEU HD12 H 1 0.96 0.03 . 2 . . . . 117 LEU HD1 . 7115 1 889 . 1 1 117 117 LEU HD13 H 1 0.96 0.03 . 2 . . . . 117 LEU HD1 . 7115 1 890 . 1 1 117 117 LEU HD21 H 1 0.65 0.03 . 2 . . . . 117 LEU HD2 . 7115 1 891 . 1 1 117 117 LEU HD22 H 1 0.65 0.03 . 2 . . . . 117 LEU HD2 . 7115 1 892 . 1 1 117 117 LEU HD23 H 1 0.65 0.03 . 2 . . . . 117 LEU HD2 . 7115 1 893 . 1 1 117 117 LEU C C 13 176.5 0.30 . 1 . . . . 117 LEU C . 7115 1 894 . 1 1 117 117 LEU CA C 13 53.8 0.30 . 1 . . . . 117 LEU CA . 7115 1 895 . 1 1 117 117 LEU N N 15 126.9 0.30 . 1 . . . . 117 LEU N . 7115 1 896 . 1 1 118 118 ASN H H 1 8.66 0.03 . 1 . . . . 118 ASN H . 7115 1 897 . 1 1 118 118 ASN HB2 H 1 2.93 0.03 . 1 . . . . 118 ASN HB2 . 7115 1 898 . 1 1 118 118 ASN HB3 H 1 2.69 0.03 . 1 . . . . 118 ASN HB3 . 7115 1 899 . 1 1 118 118 ASN HD21 H 1 6.82 0.03 . 1 . . . . 118 ASN HD21 . 7115 1 900 . 1 1 118 118 ASN HD22 H 1 7.48 0.03 . 1 . . . . 118 ASN HD22 . 7115 1 901 . 1 1 118 118 ASN C C 13 178.1 0.30 . 1 . . . . 118 ASN C . 7115 1 902 . 1 1 118 118 ASN CA C 13 51.8 0.30 . 1 . . . . 118 ASN CA . 7115 1 903 . 1 1 118 118 ASN CB C 13 39.1 0.30 . 1 . . . . 118 ASN CB . 7115 1 904 . 1 1 118 118 ASN N N 15 120.0 0.30 . 1 . . . . 118 ASN N . 7115 1 905 . 1 1 118 118 ASN ND2 N 15 113.5 0.30 . 1 . . . . 118 ASN ND2 . 7115 1 906 . 1 1 119 119 LYS H H 1 8.78 0.03 . 1 . . . . 119 LYS H . 7115 1 907 . 1 1 119 119 LYS HB2 H 1 1.61 0.03 . 1 . . . . 119 LYS HB2 . 7115 1 908 . 1 1 119 119 LYS HB3 H 1 1.96 0.03 . 1 . . . . 119 LYS HB3 . 7115 1 909 . 1 1 119 119 LYS HG2 H 1 1.23 0.03 . 2 . . . . 119 LYS HG2 . 7115 1 910 . 1 1 119 119 LYS C C 13 179.1 0.30 . 1 . . . . 119 LYS C . 7115 1 911 . 1 1 119 119 LYS CA C 13 59.6 0.30 . 1 . . . . 119 LYS CA . 7115 1 912 . 1 1 119 119 LYS N N 15 123.3 0.30 . 1 . . . . 119 LYS N . 7115 1 913 . 1 1 120 120 GLN H H 1 8.54 0.03 . 1 . . . . 120 GLN H . 7115 1 914 . 1 1 120 120 GLN HB2 H 1 1.95 0.03 . 1 . . . . 120 GLN HB2 . 7115 1 915 . 1 1 120 120 GLN HB3 H 1 2.28 0.03 . 1 . . . . 120 GLN HB3 . 7115 1 916 . 1 1 120 120 GLN HG2 H 1 2.54 0.03 . 1 . . . . 120 GLN HG2 . 7115 1 917 . 1 1 120 120 GLN HG3 H 1 2.60 0.03 . 1 . . . . 120 GLN HG3 . 7115 1 918 . 1 1 120 120 GLN C C 13 177.7 0.30 . 1 . . . . 120 GLN C . 7115 1 919 . 1 1 120 120 GLN CA C 13 57.8 0.30 . 1 . . . . 120 GLN CA . 7115 1 920 . 1 1 120 120 GLN N N 15 119.3 0.30 . 1 . . . . 120 GLN N . 7115 1 921 . 1 1 121 121 GLN H H 1 7.89 0.03 . 1 . . . . 121 GLN H . 7115 1 922 . 1 1 121 121 GLN HB2 H 1 1.63 0.03 . 1 . . . . 121 GLN HB2 . 7115 1 923 . 1 1 121 121 GLN HB3 H 1 1.36 0.03 . 1 . . . . 121 GLN HB3 . 7115 1 924 . 1 1 121 121 GLN HG2 H 1 2.24 0.03 . 1 . . . . 121 GLN HG2 . 7115 1 925 . 1 1 121 121 GLN HG3 H 1 1.98 0.03 . 1 . . . . 121 GLN HG3 . 7115 1 926 . 1 1 121 121 GLN C C 13 177.1 0.30 . 1 . . . . 121 GLN C . 7115 1 927 . 1 1 121 121 GLN CA C 13 56.0 0.30 . 1 . . . . 121 GLN CA . 7115 1 928 . 1 1 121 121 GLN N N 15 117.8 0.30 . 1 . . . . 121 GLN N . 7115 1 929 . 1 1 122 122 ARG H H 1 7.61 0.03 . 1 . . . . 122 ARG H . 7115 1 930 . 1 1 122 122 ARG HB2 H 1 1.57 0.03 . 2 . . . . 122 ARG HB2 . 7115 1 931 . 1 1 122 122 ARG CA C 13 59.3 0.30 . 1 . . . . 122 ARG CA . 7115 1 932 . 1 1 122 122 ARG N N 15 123.4 0.30 . 1 . . . . 122 ARG N . 7115 1 933 . 1 1 123 123 ARG C C 13 176.9 0.30 . 1 . . . . 123 ARG C . 7115 1 934 . 1 1 123 123 ARG CA C 13 57.5 0.30 . 1 . . . . 123 ARG CA . 7115 1 935 . 1 1 124 124 SER H H 1 7.57 0.03 . 1 . . . . 124 SER H . 7115 1 936 . 1 1 124 124 SER HA H 1 4.28 0.03 . 1 . . . . 124 SER HA . 7115 1 937 . 1 1 124 124 SER HB2 H 1 3.62 0.03 . 1 . . . . 124 SER HB2 . 7115 1 938 . 1 1 124 124 SER HB3 H 1 3.58 0.03 . 1 . . . . 124 SER HB3 . 7115 1 939 . 1 1 124 124 SER C C 13 176.4 0.30 . 1 . . . . 124 SER C . 7115 1 940 . 1 1 124 124 SER CA C 13 59.1 0.30 . 1 . . . . 124 SER CA . 7115 1 941 . 1 1 124 124 SER N N 15 111.5 0.30 . 1 . . . . 124 SER N . 7115 1 942 . 1 1 125 125 ASP H H 1 8.03 0.03 . 1 . . . . 125 ASP H . 7115 1 943 . 1 1 125 125 ASP C C 13 175.6 0.30 . 1 . . . . 125 ASP C . 7115 1 944 . 1 1 125 125 ASP CA C 13 55.7 0.30 . 1 . . . . 125 ASP CA . 7115 1 945 . 1 1 125 125 ASP N N 15 121.4 0.30 . 1 . . . . 125 ASP N . 7115 1 946 . 1 1 126 126 LEU H H 1 7.36 0.03 . 1 . . . . 126 LEU H . 7115 1 947 . 1 1 126 126 LEU HB2 H 1 2.01 0.03 . 1 . . . . 126 LEU HB2 . 7115 1 948 . 1 1 126 126 LEU HB3 H 1 1.70 0.03 . 1 . . . . 126 LEU HB3 . 7115 1 949 . 1 1 126 126 LEU C C 13 177.2 0.30 . 1 . . . . 126 LEU C . 7115 1 950 . 1 1 126 126 LEU CA C 13 59.9 0.30 . 1 . . . . 126 LEU CA . 7115 1 951 . 1 1 126 126 LEU N N 15 120.3 0.30 . 1 . . . . 126 LEU N . 7115 1 952 . 1 1 127 127 ASP H H 1 8.01 0.03 . 1 . . . . 127 ASP H . 7115 1 953 . 1 1 127 127 ASP C C 13 179.5 0.30 . 1 . . . . 127 ASP C . 7115 1 954 . 1 1 127 127 ASP CA C 13 55.7 0.30 . 1 . . . . 127 ASP CA . 7115 1 955 . 1 1 127 127 ASP N N 15 121.2 0.30 . 1 . . . . 127 ASP N . 7115 1 956 . 1 1 128 128 ARG H H 1 8.11 0.03 . 1 . . . . 128 ARG H . 7115 1 957 . 1 1 128 128 ARG C C 13 179.2 0.30 . 1 . . . . 128 ARG C . 7115 1 958 . 1 1 128 128 ARG CA C 13 58.9 0.30 . 1 . . . . 128 ARG CA . 7115 1 959 . 1 1 128 128 ARG N N 15 121.5 0.30 . 1 . . . . 128 ARG N . 7115 1 960 . 1 1 129 129 PHE H H 1 8.66 0.03 . 1 . . . . 129 PHE H . 7115 1 961 . 1 1 129 129 PHE HB2 H 1 3.25 0.03 . 2 . . . . 129 PHE HB2 . 7115 1 962 . 1 1 129 129 PHE HD1 H 1 6.86 0.03 . 3 . . . . 129 PHE HD1 . 7115 1 963 . 1 1 129 129 PHE HE1 H 1 7.01 0.03 . 3 . . . . 129 PHE HE1 . 7115 1 964 . 1 1 129 129 PHE C C 13 180.3 0.30 . 1 . . . . 129 PHE C . 7115 1 965 . 1 1 129 129 PHE CA C 13 57.2 0.30 . 1 . . . . 129 PHE CA . 7115 1 966 . 1 1 129 129 PHE N N 15 119.5 0.30 . 1 . . . . 129 PHE N . 7115 1 967 . 1 1 130 130 TRP H H 1 9.34 0.03 . 1 . . . . 130 TRP H . 7115 1 968 . 1 1 130 130 TRP HB2 H 1 3.49 0.03 . 1 . . . . 130 TRP HB2 . 7115 1 969 . 1 1 130 130 TRP HB3 H 1 3.23 0.03 . 1 . . . . 130 TRP HB3 . 7115 1 970 . 1 1 130 130 TRP HE1 H 1 10.40 0.03 . 1 . . . . 130 TRP HE1 . 7115 1 971 . 1 1 130 130 TRP HH2 H 1 6.68 0.03 . 1 . . . . 130 TRP HH2 . 7115 1 972 . 1 1 130 130 TRP C C 13 176.8 0.30 . 1 . . . . 130 TRP C . 7115 1 973 . 1 1 130 130 TRP CA C 13 59.3 0.30 . 1 . . . . 130 TRP CA . 7115 1 974 . 1 1 130 130 TRP N N 15 126.4 0.30 . 1 . . . . 130 TRP N . 7115 1 975 . 1 1 130 130 TRP NE1 N 15 129.5 0.30 . 1 . . . . 130 TRP NE1 . 7115 1 976 . 1 1 131 131 LEU H H 1 8.57 0.03 . 1 . . . . 131 LEU H . 7115 1 977 . 1 1 131 131 LEU HB2 H 1 1.75 0.03 . 1 . . . . 131 LEU HB2 . 7115 1 978 . 1 1 131 131 LEU HB3 H 1 1.50 0.03 . 1 . . . . 131 LEU HB3 . 7115 1 979 . 1 1 131 131 LEU HG H 1 1.20 0.03 . 1 . . . . 131 LEU HG . 7115 1 980 . 1 1 131 131 LEU HD11 H 1 0.80 0.03 . 2 . . . . 131 LEU HD1 . 7115 1 981 . 1 1 131 131 LEU HD12 H 1 0.80 0.03 . 2 . . . . 131 LEU HD1 . 7115 1 982 . 1 1 131 131 LEU HD13 H 1 0.80 0.03 . 2 . . . . 131 LEU HD1 . 7115 1 983 . 1 1 131 131 LEU HD21 H 1 -0.03 0.03 . 2 . . . . 131 LEU HD2 . 7115 1 984 . 1 1 131 131 LEU HD22 H 1 -0.03 0.03 . 2 . . . . 131 LEU HD2 . 7115 1 985 . 1 1 131 131 LEU HD23 H 1 -0.03 0.03 . 2 . . . . 131 LEU HD2 . 7115 1 986 . 1 1 131 131 LEU C C 13 178.5 0.30 . 1 . . . . 131 LEU C . 7115 1 987 . 1 1 131 131 LEU CA C 13 58.1 0.30 . 1 . . . . 131 LEU CA . 7115 1 988 . 1 1 131 131 LEU CG C 13 26.5 0.30 . 1 . . . . 131 LEU CG . 7115 1 989 . 1 1 131 131 LEU CD1 C 13 24.6 0.30 . 1 . . . . 131 LEU CD1 . 7115 1 990 . 1 1 131 131 LEU CD2 C 13 20.3 0.30 . 1 . . . . 131 LEU CD2 . 7115 1 991 . 1 1 131 131 LEU N N 15 120.5 0.30 . 1 . . . . 131 LEU N . 7115 1 992 . 1 1 132 132 GLU H H 1 8.03 0.03 . 1 . . . . 132 GLU H . 7115 1 993 . 1 1 132 132 GLU HB2 H 1 1.89 0.03 . 1 . . . . 132 GLU HB2 . 7115 1 994 . 1 1 132 132 GLU HB3 H 1 1.95 0.03 . 1 . . . . 132 GLU HB3 . 7115 1 995 . 1 1 132 132 GLU C C 13 179.9 0.30 . 1 . . . . 132 GLU C . 7115 1 996 . 1 1 132 132 GLU CA C 13 58.5 0.30 . 1 . . . . 132 GLU CA . 7115 1 997 . 1 1 132 132 GLU N N 15 116.1 0.30 . 1 . . . . 132 GLU N . 7115 1 998 . 1 1 133 133 THR H H 1 7.82 0.03 . 1 . . . . 133 THR H . 7115 1 999 . 1 1 133 133 THR HA H 1 5.85 0.03 . 1 . . . . 133 THR HA . 7115 1 1000 . 1 1 133 133 THR C C 13 174.9 0.30 . 1 . . . . 133 THR C . 7115 1 1001 . 1 1 133 133 THR CA C 13 68.1 0.30 . 1 . . . . 133 THR CA . 7115 1 1002 . 1 1 133 133 THR N N 15 117.8 0.30 . 1 . . . . 133 THR N . 7115 1 1003 . 1 1 134 134 LEU H H 1 7.80 0.03 . 1 . . . . 134 LEU H . 7115 1 1004 . 1 1 134 134 LEU HG H 1 0.34 0.03 . 1 . . . . 134 LEU HG . 7115 1 1005 . 1 1 134 134 LEU HD11 H 1 0.19 0.03 . 2 . . . . 134 LEU HD1 . 7115 1 1006 . 1 1 134 134 LEU HD12 H 1 0.19 0.03 . 2 . . . . 134 LEU HD1 . 7115 1 1007 . 1 1 134 134 LEU HD13 H 1 0.19 0.03 . 2 . . . . 134 LEU HD1 . 7115 1 1008 . 1 1 134 134 LEU HD21 H 1 -0.22 0.03 . 2 . . . . 134 LEU HD2 . 7115 1 1009 . 1 1 134 134 LEU HD22 H 1 -0.22 0.03 . 2 . . . . 134 LEU HD2 . 7115 1 1010 . 1 1 134 134 LEU HD23 H 1 -0.22 0.03 . 2 . . . . 134 LEU HD2 . 7115 1 1011 . 1 1 134 134 LEU C C 13 175.1 0.30 . 1 . . . . 134 LEU C . 7115 1 1012 . 1 1 134 134 LEU CA C 13 57.6 0.30 . 1 . . . . 134 LEU CA . 7115 1 1013 . 1 1 134 134 LEU CG C 13 24.4 0.30 . 1 . . . . 134 LEU CG . 7115 1 1014 . 1 1 134 134 LEU CD1 C 13 24.1 0.30 . 1 . . . . 134 LEU CD1 . 7115 1 1015 . 1 1 134 134 LEU CD2 C 13 22.4 0.30 . 1 . . . . 134 LEU CD2 . 7115 1 1016 . 1 1 134 134 LEU N N 15 121.2 0.30 . 1 . . . . 134 LEU N . 7115 1 1017 . 1 1 135 135 LEU H H 1 7.98 0.03 . 1 . . . . 135 LEU H . 7115 1 1018 . 1 1 135 135 LEU HG H 1 0.58 0.03 . 1 . . . . 135 LEU HG . 7115 1 1019 . 1 1 135 135 LEU HD11 H 1 0.07 0.03 . 2 . . . . 135 LEU HD1 . 7115 1 1020 . 1 1 135 135 LEU HD12 H 1 0.07 0.03 . 2 . . . . 135 LEU HD1 . 7115 1 1021 . 1 1 135 135 LEU HD13 H 1 0.07 0.03 . 2 . . . . 135 LEU HD1 . 7115 1 1022 . 1 1 135 135 LEU C C 13 181.3 0.30 . 1 . . . . 135 LEU C . 7115 1 1023 . 1 1 135 135 LEU CA C 13 56.8 0.30 . 1 . . . . 135 LEU CA . 7115 1 1024 . 1 1 135 135 LEU CG C 13 24.9 0.30 . 1 . . . . 135 LEU CG . 7115 1 1025 . 1 1 135 135 LEU CD1 C 13 20.7 0.30 . 1 . . . . 135 LEU CD1 . 7115 1 1026 . 1 1 135 135 LEU N N 15 117.0 0.30 . 1 . . . . 135 LEU N . 7115 1 1027 . 1 1 136 136 CYS H H 1 7.95 0.03 . 1 . . . . 136 CYS H . 7115 1 1028 . 1 1 136 136 CYS HA H 1 3.69 0.03 . 1 . . . . 136 CYS HA . 7115 1 1029 . 1 1 136 136 CYS HB2 H 1 2.98 0.03 . 1 . . . . 136 CYS HB2 . 7115 1 1030 . 1 1 136 136 CYS HB3 H 1 2.38 0.03 . 1 . . . . 136 CYS HB3 . 7115 1 1031 . 1 1 136 136 CYS C C 13 176.4 0.30 . 1 . . . . 136 CYS C . 7115 1 1032 . 1 1 136 136 CYS CA C 13 61.9 0.30 . 1 . . . . 136 CYS CA . 7115 1 1033 . 1 1 136 136 CYS N N 15 120.7 0.30 . 1 . . . . 136 CYS N . 7115 1 1034 . 1 1 137 137 LEU H H 1 7.09 0.03 . 1 . . . . 137 LEU H . 7115 1 1035 . 1 1 137 137 LEU HG H 1 1.43 0.03 . 1 . . . . 137 LEU HG . 7115 1 1036 . 1 1 137 137 LEU HD11 H 1 0.51 0.03 . 2 . . . . 137 LEU HD1 . 7115 1 1037 . 1 1 137 137 LEU HD12 H 1 0.51 0.03 . 2 . . . . 137 LEU HD1 . 7115 1 1038 . 1 1 137 137 LEU HD13 H 1 0.51 0.03 . 2 . . . . 137 LEU HD1 . 7115 1 1039 . 1 1 137 137 LEU HD21 H 1 0.41 0.03 . 2 . . . . 137 LEU HD2 . 7115 1 1040 . 1 1 137 137 LEU HD22 H 1 0.41 0.03 . 2 . . . . 137 LEU HD2 . 7115 1 1041 . 1 1 137 137 LEU HD23 H 1 0.41 0.03 . 2 . . . . 137 LEU HD2 . 7115 1 1042 . 1 1 137 137 LEU C C 13 179.2 0.30 . 1 . . . . 137 LEU C . 7115 1 1043 . 1 1 137 137 LEU CA C 13 57.9 0.30 . 1 . . . . 137 LEU CA . 7115 1 1044 . 1 1 137 137 LEU CG C 13 29.5 0.30 . 1 . . . . 137 LEU CG . 7115 1 1045 . 1 1 137 137 LEU CD1 C 13 23.3 0.30 . 1 . . . . 137 LEU CD1 . 7115 1 1046 . 1 1 137 137 LEU CD2 C 13 25.3 0.30 . 1 . . . . 137 LEU CD2 . 7115 1 1047 . 1 1 137 137 LEU N N 15 121.3 0.30 . 1 . . . . 137 LEU N . 7115 1 1048 . 1 1 138 138 ILE H H 1 7.64 0.03 . 1 . . . . 138 ILE H . 7115 1 1049 . 1 1 138 138 ILE HG12 H 1 1.49 0.03 . 1 . . . . 138 ILE HG12 . 7115 1 1050 . 1 1 138 138 ILE HG13 H 1 1.45 0.03 . 1 . . . . 138 ILE HG13 . 7115 1 1051 . 1 1 138 138 ILE HG21 H 1 0.47 0.03 . 1 . . . . 138 ILE HG2 . 7115 1 1052 . 1 1 138 138 ILE HG22 H 1 0.47 0.03 . 1 . . . . 138 ILE HG2 . 7115 1 1053 . 1 1 138 138 ILE HG23 H 1 0.47 0.03 . 1 . . . . 138 ILE HG2 . 7115 1 1054 . 1 1 138 138 ILE HD11 H 1 -0.58 0.03 . 1 . . . . 138 ILE HD1 . 7115 1 1055 . 1 1 138 138 ILE HD12 H 1 -0.58 0.03 . 1 . . . . 138 ILE HD1 . 7115 1 1056 . 1 1 138 138 ILE HD13 H 1 -0.58 0.03 . 1 . . . . 138 ILE HD1 . 7115 1 1057 . 1 1 138 138 ILE C C 13 178.3 0.30 . 1 . . . . 138 ILE C . 7115 1 1058 . 1 1 138 138 ILE CA C 13 63.4 0.30 . 1 . . . . 138 ILE CA . 7115 1 1059 . 1 1 138 138 ILE CD1 C 13 14.6 0.30 . 1 . . . . 138 ILE CD1 . 7115 1 1060 . 1 1 138 138 ILE N N 15 111.5 0.30 . 1 . . . . 138 ILE N . 7115 1 1061 . 1 1 139 139 GLY H H 1 7.35 0.03 . 1 . . . . 139 GLY H . 7115 1 1062 . 1 1 139 139 GLY HA2 H 1 3.87 0.03 . 1 . . . . 139 GLY HA2 . 7115 1 1063 . 1 1 139 139 GLY HA3 H 1 3.25 0.03 . 1 . . . . 139 GLY HA3 . 7115 1 1064 . 1 1 139 139 GLY C C 13 172.4 0.30 . 1 . . . . 139 GLY C . 7115 1 1065 . 1 1 139 139 GLY CA C 13 43.8 0.30 . 1 . . . . 139 GLY CA . 7115 1 1066 . 1 1 139 139 GLY N N 15 108.4 0.30 . 1 . . . . 139 GLY N . 7115 1 1067 . 1 1 140 140 GLU H H 1 7.74 0.03 . 1 . . . . 140 GLU H . 7115 1 1068 . 1 1 140 140 GLU HB2 H 1 2.13 0.03 . 1 . . . . 140 GLU HB2 . 7115 1 1069 . 1 1 140 140 GLU HB3 H 1 2.00 0.03 . 1 . . . . 140 GLU HB3 . 7115 1 1070 . 1 1 140 140 GLU HG2 H 1 2.55 0.03 . 2 . . . . 140 GLU HG2 . 7115 1 1071 . 1 1 140 140 GLU C C 13 178.0 0.30 . 1 . . . . 140 GLU C . 7115 1 1072 . 1 1 140 140 GLU CA C 13 55.7 0.30 . 1 . . . . 140 GLU CA . 7115 1 1073 . 1 1 140 140 GLU N N 15 117.6 0.30 . 1 . . . . 140 GLU N . 7115 1 1074 . 1 1 141 141 SER H H 1 7.31 0.03 . 1 . . . . 141 SER H . 7115 1 1075 . 1 1 141 141 SER HB2 H 1 3.26 0.03 . 1 . . . . 141 SER HB2 . 7115 1 1076 . 1 1 141 141 SER HB3 H 1 3.30 0.03 . 1 . . . . 141 SER HB3 . 7115 1 1077 . 1 1 141 141 SER C C 13 173.4 0.30 . 1 . . . . 141 SER C . 7115 1 1078 . 1 1 141 141 SER CA C 13 60.1 0.30 . 1 . . . . 141 SER CA . 7115 1 1079 . 1 1 141 141 SER N N 15 112.7 0.30 . 1 . . . . 141 SER N . 7115 1 1080 . 1 1 142 142 PHE H H 1 7.80 0.03 . 1 . . . . 142 PHE H . 7115 1 1081 . 1 1 142 142 PHE HB2 H 1 3.10 0.03 . 2 . . . . 142 PHE HB2 . 7115 1 1082 . 1 1 142 142 PHE HD1 H 1 6.89 0.03 . 3 . . . . 142 PHE HD1 . 7115 1 1083 . 1 1 142 142 PHE HE1 H 1 7.04 0.03 . 3 . . . . 142 PHE HE1 . 7115 1 1084 . 1 1 142 142 PHE C C 13 174.5 0.30 . 1 . . . . 142 PHE C . 7115 1 1085 . 1 1 142 142 PHE CA C 13 55.8 0.30 . 1 . . . . 142 PHE CA . 7115 1 1086 . 1 1 142 142 PHE N N 15 118.1 0.30 . 1 . . . . 142 PHE N . 7115 1 1087 . 1 1 143 143 ASP H H 1 8.00 0.03 . 1 . . . . 143 ASP H . 7115 1 1088 . 1 1 143 143 ASP HB2 H 1 2.56 0.03 . 1 . . . . 143 ASP HB2 . 7115 1 1089 . 1 1 143 143 ASP HB3 H 1 2.73 0.03 . 1 . . . . 143 ASP HB3 . 7115 1 1090 . 1 1 143 143 ASP C C 13 177.8 0.30 . 1 . . . . 143 ASP C . 7115 1 1091 . 1 1 143 143 ASP CA C 13 55.8 0.30 . 1 . . . . 143 ASP CA . 7115 1 1092 . 1 1 143 143 ASP N N 15 117.8 0.30 . 1 . . . . 143 ASP N . 7115 1 1093 . 1 1 144 144 ASP H H 1 8.59 0.03 . 1 . . . . 144 ASP H . 7115 1 1094 . 1 1 144 144 ASP HB2 H 1 2.58 0.03 . 1 . . . . 144 ASP HB2 . 7115 1 1095 . 1 1 144 144 ASP HB3 H 1 2.74 0.03 . 1 . . . . 144 ASP HB3 . 7115 1 1096 . 1 1 144 144 ASP C C 13 176.5 0.30 . 1 . . . . 144 ASP C . 7115 1 1097 . 1 1 144 144 ASP CA C 13 55.9 0.30 . 1 . . . . 144 ASP CA . 7115 1 1098 . 1 1 144 144 ASP N N 15 124.0 0.30 . 1 . . . . 144 ASP N . 7115 1 1099 . 1 1 145 145 TYR H H 1 7.69 0.03 . 1 . . . . 145 TYR H . 7115 1 1100 . 1 1 145 145 TYR HD1 H 1 6.85 0.03 . 3 . . . . 145 TYR HD1 . 7115 1 1101 . 1 1 145 145 TYR HE1 H 1 6.70 0.03 . 3 . . . . 145 TYR HE1 . 7115 1 1102 . 1 1 145 145 TYR C C 13 176.5 0.30 . 1 . . . . 145 TYR C . 7115 1 1103 . 1 1 145 145 TYR CA C 13 57.0 0.30 . 1 . . . . 145 TYR CA . 7115 1 1104 . 1 1 145 145 TYR N N 15 117.5 0.30 . 1 . . . . 145 TYR N . 7115 1 1105 . 1 1 146 146 SER H H 1 7.52 0.03 . 1 . . . . 146 SER H . 7115 1 1106 . 1 1 146 146 SER HB2 H 1 4.14 0.03 . 1 . . . . 146 SER HB2 . 7115 1 1107 . 1 1 146 146 SER HB3 H 1 3.90 0.03 . 1 . . . . 146 SER HB3 . 7115 1 1108 . 1 1 146 146 SER CA C 13 63.0 0.30 . 1 . . . . 146 SER CA . 7115 1 1109 . 1 1 146 146 SER N N 15 117.7 0.30 . 1 . . . . 146 SER N . 7115 1 1110 . 1 1 147 147 ASP H H 1 8.52 0.03 . 1 . . . . 147 ASP H . 7115 1 1111 . 1 1 147 147 ASP HB2 H 1 2.60 0.03 . 1 . . . . 147 ASP HB2 . 7115 1 1112 . 1 1 147 147 ASP HB3 H 1 2.52 0.03 . 1 . . . . 147 ASP HB3 . 7115 1 1113 . 1 1 147 147 ASP C C 13 176.6 0.30 . 1 . . . . 147 ASP C . 7115 1 1114 . 1 1 147 147 ASP CA C 13 56.4 0.30 . 1 . . . . 147 ASP CA . 7115 1 1115 . 1 1 147 147 ASP CB C 13 39.9 0.30 . 1 . . . . 147 ASP CB . 7115 1 1116 . 1 1 147 147 ASP N N 15 121.6 0.30 . 1 . . . . 147 ASP N . 7115 1 1117 . 1 1 148 148 ASP H H 1 7.68 0.03 . 1 . . . . 148 ASP H . 7115 1 1118 . 1 1 148 148 ASP HB2 H 1 2.79 0.03 . 2 . . . . 148 ASP HB2 . 7115 1 1119 . 1 1 148 148 ASP C C 13 176.8 0.30 . 1 . . . . 148 ASP C . 7115 1 1120 . 1 1 148 148 ASP CA C 13 55.2 0.30 . 1 . . . . 148 ASP CA . 7115 1 1121 . 1 1 148 148 ASP N N 15 119.7 0.30 . 1 . . . . 148 ASP N . 7115 1 1122 . 1 1 149 149 VAL H H 1 7.51 0.03 . 1 . . . . 149 VAL H . 7115 1 1123 . 1 1 149 149 VAL HB H 1 2.22 0.03 . 1 . . . . 149 VAL HB . 7115 1 1124 . 1 1 149 149 VAL HG11 H 1 0.84 0.03 . 2 . . . . 149 VAL HG1 . 7115 1 1125 . 1 1 149 149 VAL HG12 H 1 0.84 0.03 . 2 . . . . 149 VAL HG1 . 7115 1 1126 . 1 1 149 149 VAL HG13 H 1 0.84 0.03 . 2 . . . . 149 VAL HG1 . 7115 1 1127 . 1 1 149 149 VAL HG21 H 1 0.75 0.03 . 2 . . . . 149 VAL HG2 . 7115 1 1128 . 1 1 149 149 VAL HG22 H 1 0.75 0.03 . 2 . . . . 149 VAL HG2 . 7115 1 1129 . 1 1 149 149 VAL HG23 H 1 0.75 0.03 . 2 . . . . 149 VAL HG2 . 7115 1 1130 . 1 1 149 149 VAL C C 13 175.9 0.30 . 1 . . . . 149 VAL C . 7115 1 1131 . 1 1 149 149 VAL CA C 13 64.1 0.30 . 1 . . . . 149 VAL CA . 7115 1 1132 . 1 1 149 149 VAL CB C 13 31.9 0.30 . 1 . . . . 149 VAL CB . 7115 1 1133 . 1 1 149 149 VAL CG1 C 13 21.4 0.30 . 1 . . . . 149 VAL CG1 . 7115 1 1134 . 1 1 149 149 VAL CG2 C 13 22.7 0.30 . 1 . . . . 149 VAL CG2 . 7115 1 1135 . 1 1 149 149 VAL N N 15 120.5 0.30 . 1 . . . . 149 VAL N . 7115 1 1136 . 1 1 150 150 CYS H H 1 9.15 0.03 . 1 . . . . 150 CYS H . 7115 1 1137 . 1 1 150 150 CYS HB2 H 1 3.14 0.03 . 1 . . . . 150 CYS HB2 . 7115 1 1138 . 1 1 150 150 CYS HB3 H 1 2.82 0.03 . 1 . . . . 150 CYS HB3 . 7115 1 1139 . 1 1 150 150 CYS C C 13 172.9 0.30 . 1 . . . . 150 CYS C . 7115 1 1140 . 1 1 150 150 CYS CA C 13 58.5 0.30 . 1 . . . . 150 CYS CA . 7115 1 1141 . 1 1 150 150 CYS N N 15 124.8 0.30 . 1 . . . . 150 CYS N . 7115 1 1142 . 1 1 151 151 GLY H H 1 7.25 0.03 . 1 . . . . 151 GLY H . 7115 1 1143 . 1 1 151 151 GLY HA2 H 1 4.25 0.03 . 2 . . . . 151 GLY HA2 . 7115 1 1144 . 1 1 151 151 GLY C C 13 169.6 0.30 . 1 . . . . 151 GLY C . 7115 1 1145 . 1 1 151 151 GLY CA C 13 46.2 0.30 . 1 . . . . 151 GLY CA . 7115 1 1146 . 1 1 151 151 GLY N N 15 104.0 0.30 . 1 . . . . 151 GLY N . 7115 1 1147 . 1 1 152 152 ALA H H 1 8.55 0.03 . 1 . . . . 152 ALA H . 7115 1 1148 . 1 1 152 152 ALA HA H 1 5.28 0.03 . 1 . . . . 152 ALA HA . 7115 1 1149 . 1 1 152 152 ALA HB1 H 1 1.22 0.03 . 1 . . . . 152 ALA HB . 7115 1 1150 . 1 1 152 152 ALA HB2 H 1 1.22 0.03 . 1 . . . . 152 ALA HB . 7115 1 1151 . 1 1 152 152 ALA HB3 H 1 1.22 0.03 . 1 . . . . 152 ALA HB . 7115 1 1152 . 1 1 152 152 ALA C C 13 175.5 0.30 . 1 . . . . 152 ALA C . 7115 1 1153 . 1 1 152 152 ALA CA C 13 50.5 0.30 . 1 . . . . 152 ALA CA . 7115 1 1154 . 1 1 152 152 ALA N N 15 121.8 0.30 . 1 . . . . 152 ALA N . 7115 1 1155 . 1 1 153 153 VAL H H 1 8.73 0.03 . 1 . . . . 153 VAL H . 7115 1 1156 . 1 1 153 153 VAL HB H 1 1.80 0.03 . 1 . . . . 153 VAL HB . 7115 1 1157 . 1 1 153 153 VAL HG11 H 1 0.59 0.03 . 2 . . . . 153 VAL HG1 . 7115 1 1158 . 1 1 153 153 VAL HG12 H 1 0.59 0.03 . 2 . . . . 153 VAL HG1 . 7115 1 1159 . 1 1 153 153 VAL HG13 H 1 0.59 0.03 . 2 . . . . 153 VAL HG1 . 7115 1 1160 . 1 1 153 153 VAL HG21 H 1 0.25 0.03 . 2 . . . . 153 VAL HG2 . 7115 1 1161 . 1 1 153 153 VAL HG22 H 1 0.25 0.03 . 2 . . . . 153 VAL HG2 . 7115 1 1162 . 1 1 153 153 VAL HG23 H 1 0.25 0.03 . 2 . . . . 153 VAL HG2 . 7115 1 1163 . 1 1 153 153 VAL C C 13 175.4 0.30 . 1 . . . . 153 VAL C . 7115 1 1164 . 1 1 153 153 VAL CA C 13 60.9 0.30 . 1 . . . . 153 VAL CA . 7115 1 1165 . 1 1 153 153 VAL CB C 13 37.1 0.30 . 1 . . . . 153 VAL CB . 7115 1 1166 . 1 1 153 153 VAL CG1 C 13 20.4 0.30 . 1 . . . . 153 VAL CG1 . 7115 1 1167 . 1 1 153 153 VAL CG2 C 13 20.1 0.30 . 1 . . . . 153 VAL CG2 . 7115 1 1168 . 1 1 153 153 VAL N N 15 119.8 0.30 . 1 . . . . 153 VAL N . 7115 1 1169 . 1 1 154 154 VAL H H 1 8.91 0.03 . 1 . . . . 154 VAL H . 7115 1 1170 . 1 1 154 154 VAL HB H 1 1.01 0.03 . 1 . . . . 154 VAL HB . 7115 1 1171 . 1 1 154 154 VAL HG11 H 1 0.44 0.03 . 2 . . . . 154 VAL HG1 . 7115 1 1172 . 1 1 154 154 VAL HG12 H 1 0.44 0.03 . 2 . . . . 154 VAL HG1 . 7115 1 1173 . 1 1 154 154 VAL HG13 H 1 0.44 0.03 . 2 . . . . 154 VAL HG1 . 7115 1 1174 . 1 1 154 154 VAL HG21 H 1 -0.26 0.03 . 2 . . . . 154 VAL HG2 . 7115 1 1175 . 1 1 154 154 VAL HG22 H 1 -0.26 0.03 . 2 . . . . 154 VAL HG2 . 7115 1 1176 . 1 1 154 154 VAL HG23 H 1 -0.26 0.03 . 2 . . . . 154 VAL HG2 . 7115 1 1177 . 1 1 154 154 VAL C C 13 172.5 0.30 . 1 . . . . 154 VAL C . 7115 1 1178 . 1 1 154 154 VAL CA C 13 57.2 0.30 . 1 . . . . 154 VAL CA . 7115 1 1179 . 1 1 154 154 VAL CB C 13 33.5 0.30 . 1 . . . . 154 VAL CB . 7115 1 1180 . 1 1 154 154 VAL CG1 C 13 20.9 0.30 . 1 . . . . 154 VAL CG1 . 7115 1 1181 . 1 1 154 154 VAL CG2 C 13 18.6 0.30 . 1 . . . . 154 VAL CG2 . 7115 1 1182 . 1 1 154 154 VAL N N 15 128.8 0.30 . 1 . . . . 154 VAL N . 7115 1 1183 . 1 1 155 155 ASN H H 1 9.22 0.03 . 1 . . . . 155 ASN H . 7115 1 1184 . 1 1 155 155 ASN HB2 H 1 2.61 0.03 . 1 . . . . 155 ASN HB2 . 7115 1 1185 . 1 1 155 155 ASN HB3 H 1 2.40 0.03 . 1 . . . . 155 ASN HB3 . 7115 1 1186 . 1 1 155 155 ASN HD21 H 1 7.75 0.03 . 1 . . . . 155 ASN HD21 . 7115 1 1187 . 1 1 155 155 ASN HD22 H 1 6.48 0.03 . 1 . . . . 155 ASN HD22 . 7115 1 1188 . 1 1 155 155 ASN C C 13 173.7 0.30 . 1 . . . . 155 ASN C . 7115 1 1189 . 1 1 155 155 ASN CA C 13 51.5 0.30 . 1 . . . . 155 ASN CA . 7115 1 1190 . 1 1 155 155 ASN N N 15 123.4 0.30 . 1 . . . . 155 ASN N . 7115 1 1191 . 1 1 155 155 ASN ND2 N 15 113.9 0.30 . 1 . . . . 155 ASN ND2 . 7115 1 1192 . 1 1 156 156 VAL H H 1 8.13 0.03 . 1 . . . . 156 VAL H . 7115 1 1193 . 1 1 156 156 VAL HB H 1 1.79 0.03 . 1 . . . . 156 VAL HB . 7115 1 1194 . 1 1 156 156 VAL HG11 H 1 0.63 0.03 . 2 . . . . 156 VAL HG1 . 7115 1 1195 . 1 1 156 156 VAL HG12 H 1 0.63 0.03 . 2 . . . . 156 VAL HG1 . 7115 1 1196 . 1 1 156 156 VAL HG13 H 1 0.63 0.03 . 2 . . . . 156 VAL HG1 . 7115 1 1197 . 1 1 156 156 VAL HG21 H 1 0.47 0.03 . 2 . . . . 156 VAL HG2 . 7115 1 1198 . 1 1 156 156 VAL HG22 H 1 0.47 0.03 . 2 . . . . 156 VAL HG2 . 7115 1 1199 . 1 1 156 156 VAL HG23 H 1 0.47 0.03 . 2 . . . . 156 VAL HG2 . 7115 1 1200 . 1 1 156 156 VAL C C 13 178.5 0.30 . 1 . . . . 156 VAL C . 7115 1 1201 . 1 1 156 156 VAL CA C 13 61.6 0.30 . 1 . . . . 156 VAL CA . 7115 1 1202 . 1 1 156 156 VAL CB C 13 30.8 0.30 . 1 . . . . 156 VAL CB . 7115 1 1203 . 1 1 156 156 VAL CG1 C 13 21.0 0.30 . 1 . . . . 156 VAL CG1 . 7115 1 1204 . 1 1 156 156 VAL CG2 C 13 19.3 0.30 . 1 . . . . 156 VAL CG2 . 7115 1 1205 . 1 1 156 156 VAL N N 15 125.8 0.30 . 1 . . . . 156 VAL N . 7115 1 1206 . 1 1 157 157 ARG H H 1 9.17 0.03 . 1 . . . . 157 ARG H . 7115 1 1207 . 1 1 157 157 ARG HB2 H 1 1.79 0.03 . 1 . . . . 157 ARG HB2 . 7115 1 1208 . 1 1 157 157 ARG HB3 H 1 2.10 0.03 . 1 . . . . 157 ARG HB3 . 7115 1 1209 . 1 1 157 157 ARG C C 13 175.8 0.30 . 1 . . . . 157 ARG C . 7115 1 1210 . 1 1 157 157 ARG CA C 13 52.6 0.30 . 1 . . . . 157 ARG CA . 7115 1 1211 . 1 1 157 157 ARG N N 15 131.6 0.30 . 1 . . . . 157 ARG N . 7115 1 1212 . 1 1 158 158 ALA H H 1 8.75 0.03 . 1 . . . . 158 ALA H . 7115 1 1213 . 1 1 158 158 ALA HA H 1 3.93 0.03 . 1 . . . . 158 ALA HA . 7115 1 1214 . 1 1 158 158 ALA HB1 H 1 1.24 0.03 . 1 . . . . 158 ALA HB . 7115 1 1215 . 1 1 158 158 ALA HB2 H 1 1.24 0.03 . 1 . . . . 158 ALA HB . 7115 1 1216 . 1 1 158 158 ALA HB3 H 1 1.24 0.03 . 1 . . . . 158 ALA HB . 7115 1 1217 . 1 1 158 158 ALA C C 13 179.5 0.30 . 1 . . . . 158 ALA C . 7115 1 1218 . 1 1 158 158 ALA CA C 13 54.3 0.30 . 1 . . . . 158 ALA CA . 7115 1 1219 . 1 1 158 158 ALA CB C 13 18.1 0.30 . 1 . . . . 158 ALA CB . 7115 1 1220 . 1 1 158 158 ALA N N 15 125.4 0.30 . 1 . . . . 158 ALA N . 7115 1 1221 . 1 1 159 159 LYS H H 1 7.91 0.03 . 1 . . . . 159 LYS H . 7115 1 1222 . 1 1 159 159 LYS C C 13 176.1 0.30 . 1 . . . . 159 LYS C . 7115 1 1223 . 1 1 159 159 LYS CA C 13 56.1 0.30 . 1 . . . . 159 LYS CA . 7115 1 1224 . 1 1 159 159 LYS N N 15 113.4 0.30 . 1 . . . . 159 LYS N . 7115 1 1225 . 1 1 160 160 GLY H H 1 6.97 0.03 . 1 . . . . 160 GLY H . 7115 1 1226 . 1 1 160 160 GLY HA2 H 1 4.16 0.03 . 1 . . . . 160 GLY HA2 . 7115 1 1227 . 1 1 160 160 GLY HA3 H 1 3.32 0.03 . 1 . . . . 160 GLY HA3 . 7115 1 1228 . 1 1 160 160 GLY C C 13 171.9 0.30 . 1 . . . . 160 GLY C . 7115 1 1229 . 1 1 160 160 GLY CA C 13 44.8 0.30 . 1 . . . . 160 GLY CA . 7115 1 1230 . 1 1 160 160 GLY N N 15 109.9 0.30 . 1 . . . . 160 GLY N . 7115 1 1231 . 1 1 161 161 ASP H H 1 7.99 0.03 . 1 . . . . 161 ASP H . 7115 1 1232 . 1 1 161 161 ASP HB2 H 1 2.19 0.03 . 2 . . . . 161 ASP HB2 . 7115 1 1233 . 1 1 161 161 ASP C C 13 175.0 0.30 . 1 . . . . 161 ASP C . 7115 1 1234 . 1 1 161 161 ASP CA C 13 54.1 0.30 . 1 . . . . 161 ASP CA . 7115 1 1235 . 1 1 161 161 ASP N N 15 124.6 0.30 . 1 . . . . 161 ASP N . 7115 1 1236 . 1 1 162 162 LYS H H 1 8.52 0.03 . 1 . . . . 162 LYS H . 7115 1 1237 . 1 1 162 162 LYS HG2 H 1 1.30 0.03 . 2 . . . . 162 LYS HG2 . 7115 1 1238 . 1 1 162 162 LYS C C 13 175.2 0.30 . 1 . . . . 162 LYS C . 7115 1 1239 . 1 1 162 162 LYS CA C 13 54.7 0.30 . 1 . . . . 162 LYS CA . 7115 1 1240 . 1 1 162 162 LYS N N 15 119.2 0.30 . 1 . . . . 162 LYS N . 7115 1 1241 . 1 1 163 163 ILE H H 1 8.76 0.03 . 1 . . . . 163 ILE H . 7115 1 1242 . 1 1 163 163 ILE HG21 H 1 1.20 0.03 . 1 . . . . 163 ILE HG2 . 7115 1 1243 . 1 1 163 163 ILE HG22 H 1 1.20 0.03 . 1 . . . . 163 ILE HG2 . 7115 1 1244 . 1 1 163 163 ILE HG23 H 1 1.20 0.03 . 1 . . . . 163 ILE HG2 . 7115 1 1245 . 1 1 163 163 ILE HD11 H 1 1.00 0.03 . 1 . . . . 163 ILE HD1 . 7115 1 1246 . 1 1 163 163 ILE HD12 H 1 1.00 0.03 . 1 . . . . 163 ILE HD1 . 7115 1 1247 . 1 1 163 163 ILE HD13 H 1 1.00 0.03 . 1 . . . . 163 ILE HD1 . 7115 1 1248 . 1 1 163 163 ILE C C 13 173.5 0.30 . 1 . . . . 163 ILE C . 7115 1 1249 . 1 1 163 163 ILE CA C 13 60.2 0.30 . 1 . . . . 163 ILE CA . 7115 1 1250 . 1 1 163 163 ILE CG2 C 13 18.5 0.30 . 1 . . . . 163 ILE CG2 . 7115 1 1251 . 1 1 163 163 ILE N N 15 121.0 0.30 . 1 . . . . 163 ILE N . 7115 1 1252 . 1 1 164 164 ALA H H 1 9.03 0.03 . 1 . . . . 164 ALA H . 7115 1 1253 . 1 1 164 164 ALA HA H 1 6.16 0.03 . 1 . . . . 164 ALA HA . 7115 1 1254 . 1 1 164 164 ALA HB1 H 1 1.46 0.03 . 1 . . . . 164 ALA HB . 7115 1 1255 . 1 1 164 164 ALA HB2 H 1 1.46 0.03 . 1 . . . . 164 ALA HB . 7115 1 1256 . 1 1 164 164 ALA HB3 H 1 1.46 0.03 . 1 . . . . 164 ALA HB . 7115 1 1257 . 1 1 164 164 ALA C C 13 178.2 0.30 . 1 . . . . 164 ALA C . 7115 1 1258 . 1 1 164 164 ALA CA C 13 50.2 0.30 . 1 . . . . 164 ALA CA . 7115 1 1259 . 1 1 164 164 ALA N N 15 126.1 0.30 . 1 . . . . 164 ALA N . 7115 1 1260 . 1 1 165 165 ILE H H 1 8.21 0.03 . 1 . . . . 165 ILE H . 7115 1 1261 . 1 1 165 165 ILE HG12 H 1 1.28 0.03 . 1 . . . . 165 ILE HG12 . 7115 1 1262 . 1 1 165 165 ILE HG13 H 1 1.07 0.03 . 1 . . . . 165 ILE HG13 . 7115 1 1263 . 1 1 165 165 ILE HG21 H 1 0.57 0.03 . 1 . . . . 165 ILE HG2 . 7115 1 1264 . 1 1 165 165 ILE HG22 H 1 0.57 0.03 . 1 . . . . 165 ILE HG2 . 7115 1 1265 . 1 1 165 165 ILE HG23 H 1 0.57 0.03 . 1 . . . . 165 ILE HG2 . 7115 1 1266 . 1 1 165 165 ILE C C 13 175.4 0.30 . 1 . . . . 165 ILE C . 7115 1 1267 . 1 1 165 165 ILE CA C 13 60.7 0.30 . 1 . . . . 165 ILE CA . 7115 1 1268 . 1 1 165 165 ILE CG2 C 13 16.4 0.30 . 1 . . . . 165 ILE CG2 . 7115 1 1269 . 1 1 165 165 ILE N N 15 117.4 0.30 . 1 . . . . 165 ILE N . 7115 1 1270 . 1 1 166 166 TRP H H 1 9.66 0.03 . 1 . . . . 166 TRP H . 7115 1 1271 . 1 1 166 166 TRP HB2 H 1 2.81 0.03 . 1 . . . . 166 TRP HB2 . 7115 1 1272 . 1 1 166 166 TRP HB3 H 1 2.74 0.03 . 1 . . . . 166 TRP HB3 . 7115 1 1273 . 1 1 166 166 TRP HD1 H 1 6.77 0.03 . 1 . . . . 166 TRP HD1 . 7115 1 1274 . 1 1 166 166 TRP HE1 H 1 10.56 0.03 . 1 . . . . 166 TRP HE1 . 7115 1 1275 . 1 1 166 166 TRP HZ2 H 1 6.94 0.03 . 1 . . . . 166 TRP HZ2 . 7115 1 1276 . 1 1 166 166 TRP C C 13 176.6 0.30 . 1 . . . . 166 TRP C . 7115 1 1277 . 1 1 166 166 TRP CA C 13 56.2 0.30 . 1 . . . . 166 TRP CA . 7115 1 1278 . 1 1 166 166 TRP N N 15 131.2 0.30 . 1 . . . . 166 TRP N . 7115 1 1279 . 1 1 166 166 TRP NE1 N 15 129.0 0.30 . 1 . . . . 166 TRP NE1 . 7115 1 1280 . 1 1 167 167 THR H H 1 9.55 0.03 . 1 . . . . 167 THR H . 7115 1 1281 . 1 1 167 167 THR HA H 1 5.82 0.03 . 1 . . . . 167 THR HA . 7115 1 1282 . 1 1 167 167 THR HG21 H 1 1.03 0.03 . 1 . . . . 167 THR HG2 . 7115 1 1283 . 1 1 167 167 THR HG22 H 1 1.03 0.03 . 1 . . . . 167 THR HG2 . 7115 1 1284 . 1 1 167 167 THR HG23 H 1 1.03 0.03 . 1 . . . . 167 THR HG2 . 7115 1 1285 . 1 1 167 167 THR C C 13 177.5 0.30 . 1 . . . . 167 THR C . 7115 1 1286 . 1 1 167 167 THR CA C 13 60.2 0.30 . 1 . . . . 167 THR CA . 7115 1 1287 . 1 1 167 167 THR CG2 C 13 20.7 0.30 . 1 . . . . 167 THR CG2 . 7115 1 1288 . 1 1 167 167 THR N N 15 115.2 0.30 . 1 . . . . 167 THR N . 7115 1 1289 . 1 1 168 168 THR H H 1 8.70 0.03 . 1 . . . . 168 THR H . 7115 1 1290 . 1 1 168 168 THR HG21 H 1 1.13 0.03 . 1 . . . . 168 THR HG2 . 7115 1 1291 . 1 1 168 168 THR HG22 H 1 1.13 0.03 . 1 . . . . 168 THR HG2 . 7115 1 1292 . 1 1 168 168 THR HG23 H 1 1.13 0.03 . 1 . . . . 168 THR HG2 . 7115 1 1293 . 1 1 168 168 THR C C 13 172.6 0.30 . 1 . . . . 168 THR C . 7115 1 1294 . 1 1 168 168 THR CA C 13 63.2 0.30 . 1 . . . . 168 THR CA . 7115 1 1295 . 1 1 168 168 THR CG2 C 13 19.6 0.30 . 1 . . . . 168 THR CG2 . 7115 1 1296 . 1 1 168 168 THR N N 15 117.2 0.30 . 1 . . . . 168 THR N . 7115 1 1297 . 1 1 169 169 GLU H H 1 8.27 0.03 . 1 . . . . 169 GLU H . 7115 1 1298 . 1 1 169 169 GLU HB2 H 1 1.80 0.03 . 1 . . . . 169 GLU HB2 . 7115 1 1299 . 1 1 169 169 GLU HB3 H 1 1.68 0.03 . 1 . . . . 169 GLU HB3 . 7115 1 1300 . 1 1 169 169 GLU C C 13 177.1 0.30 . 1 . . . . 169 GLU C . 7115 1 1301 . 1 1 169 169 GLU CA C 13 54.2 0.30 . 1 . . . . 169 GLU CA . 7115 1 1302 . 1 1 169 169 GLU N N 15 120.6 0.30 . 1 . . . . 169 GLU N . 7115 1 1303 . 1 1 170 170 CYS H H 1 9.34 0.03 . 1 . . . . 170 CYS H . 7115 1 1304 . 1 1 170 170 CYS HA H 1 4.22 0.03 . 1 . . . . 170 CYS HA . 7115 1 1305 . 1 1 170 170 CYS HB2 H 1 2.72 0.03 . 1 . . . . 170 CYS HB2 . 7115 1 1306 . 1 1 170 170 CYS HB3 H 1 2.53 0.03 . 1 . . . . 170 CYS HB3 . 7115 1 1307 . 1 1 170 170 CYS C C 13 174.6 0.30 . 1 . . . . 170 CYS C . 7115 1 1308 . 1 1 170 170 CYS CA C 13 59.9 0.30 . 1 . . . . 170 CYS CA . 7115 1 1309 . 1 1 170 170 CYS N N 15 129.4 0.30 . 1 . . . . 170 CYS N . 7115 1 1310 . 1 1 171 171 GLU H H 1 8.99 0.03 . 1 . . . . 171 GLU H . 7115 1 1311 . 1 1 171 171 GLU HA H 1 4.25 0.03 . 1 . . . . 171 GLU HA . 7115 1 1312 . 1 1 171 171 GLU HB2 H 1 1.66 0.03 . 1 . . . . 171 GLU HB2 . 7115 1 1313 . 1 1 171 171 GLU HB3 H 1 1.80 0.03 . 1 . . . . 171 GLU HB3 . 7115 1 1314 . 1 1 171 171 GLU HG2 H 1 2.25 0.03 . 1 . . . . 171 GLU HG2 . 7115 1 1315 . 1 1 171 171 GLU HG3 H 1 2.11 0.03 . 1 . . . . 171 GLU HG3 . 7115 1 1316 . 1 1 171 171 GLU C C 13 177.2 0.30 . 1 . . . . 171 GLU C . 7115 1 1317 . 1 1 171 171 GLU CA C 13 55.8 0.30 . 1 . . . . 171 GLU CA . 7115 1 1318 . 1 1 171 171 GLU CG C 13 36.2 0.30 . 1 . . . . 171 GLU CG . 7115 1 1319 . 1 1 171 171 GLU N N 15 116.4 0.30 . 1 . . . . 171 GLU N . 7115 1 1320 . 1 1 172 172 ASN H H 1 7.03 0.03 . 1 . . . . 172 ASN H . 7115 1 1321 . 1 1 172 172 ASN HA H 1 4.78 0.03 . 1 . . . . 172 ASN HA . 7115 1 1322 . 1 1 172 172 ASN HB2 H 1 3.01 0.03 . 1 . . . . 172 ASN HB2 . 7115 1 1323 . 1 1 172 172 ASN HB3 H 1 2.55 0.03 . 1 . . . . 172 ASN HB3 . 7115 1 1324 . 1 1 172 172 ASN HD21 H 1 6.75 0.03 . 1 . . . . 172 ASN HD21 . 7115 1 1325 . 1 1 172 172 ASN HD22 H 1 8.73 0.03 . 1 . . . . 172 ASN HD22 . 7115 1 1326 . 1 1 172 172 ASN C C 13 174.1 0.30 . 1 . . . . 172 ASN C . 7115 1 1327 . 1 1 172 172 ASN CA C 13 50.7 0.30 . 1 . . . . 172 ASN CA . 7115 1 1328 . 1 1 172 172 ASN N N 15 120.4 0.30 . 1 . . . . 172 ASN N . 7115 1 1329 . 1 1 172 172 ASN ND2 N 15 115.2 0.30 . 1 . . . . 172 ASN ND2 . 7115 1 1330 . 1 1 173 173 ARG H H 1 7.66 0.03 . 1 . . . . 173 ARG H . 7115 1 1331 . 1 1 173 173 ARG HB3 H 1 1.60 0.03 . 2 . . . . 173 ARG HB3 . 7115 1 1332 . 1 1 173 173 ARG HG3 H 1 1.24 0.03 . 2 . . . . 173 ARG HG3 . 7115 1 1333 . 1 1 173 173 ARG C C 13 178.2 0.30 . 1 . . . . 173 ARG C . 7115 1 1334 . 1 1 173 173 ARG CA C 13 59.5 0.30 . 1 . . . . 173 ARG CA . 7115 1 1335 . 1 1 173 173 ARG N N 15 123.4 0.30 . 1 . . . . 173 ARG N . 7115 1 1336 . 1 1 174 174 GLU H H 1 8.72 0.03 . 1 . . . . 174 GLU H . 7115 1 1337 . 1 1 174 174 GLU C C 13 177.9 0.30 . 1 . . . . 174 GLU C . 7115 1 1338 . 1 1 174 174 GLU CA C 13 59.8 0.30 . 1 . . . . 174 GLU CA . 7115 1 1339 . 1 1 174 174 GLU N N 15 121.0 0.30 . 1 . . . . 174 GLU N . 7115 1 1340 . 1 1 175 175 ALA H H 1 7.11 0.03 . 1 . . . . 175 ALA H . 7115 1 1341 . 1 1 175 175 ALA HB1 H 1 1.03 0.03 . 1 . . . . 175 ALA HB . 7115 1 1342 . 1 1 175 175 ALA HB2 H 1 1.03 0.03 . 1 . . . . 175 ALA HB . 7115 1 1343 . 1 1 175 175 ALA HB3 H 1 1.03 0.03 . 1 . . . . 175 ALA HB . 7115 1 1344 . 1 1 175 175 ALA C C 13 178.9 0.30 . 1 . . . . 175 ALA C . 7115 1 1345 . 1 1 175 175 ALA CA C 13 53.7 0.30 . 1 . . . . 175 ALA CA . 7115 1 1346 . 1 1 175 175 ALA CB C 13 19.6 0.30 . 1 . . . . 175 ALA CB . 7115 1 1347 . 1 1 175 175 ALA N N 15 121.8 0.30 . 1 . . . . 175 ALA N . 7115 1 1348 . 1 1 176 176 VAL H H 1 8.06 0.03 . 1 . . . . 176 VAL H . 7115 1 1349 . 1 1 176 176 VAL HB H 1 0.93 0.03 . 1 . . . . 176 VAL HB . 7115 1 1350 . 1 1 176 176 VAL HG11 H 1 -0.62 0.03 . 2 . . . . 176 VAL HG1 . 7115 1 1351 . 1 1 176 176 VAL HG12 H 1 -0.62 0.03 . 2 . . . . 176 VAL HG1 . 7115 1 1352 . 1 1 176 176 VAL HG13 H 1 -0.62 0.03 . 2 . . . . 176 VAL HG1 . 7115 1 1353 . 1 1 176 176 VAL HG21 H 1 0.28 0.03 . 2 . . . . 176 VAL HG2 . 7115 1 1354 . 1 1 176 176 VAL HG22 H 1 0.28 0.03 . 2 . . . . 176 VAL HG2 . 7115 1 1355 . 1 1 176 176 VAL HG23 H 1 0.28 0.03 . 2 . . . . 176 VAL HG2 . 7115 1 1356 . 1 1 176 176 VAL C C 13 180.1 0.30 . 1 . . . . 176 VAL C . 7115 1 1357 . 1 1 176 176 VAL CA C 13 67.2 0.30 . 1 . . . . 176 VAL CA . 7115 1 1358 . 1 1 176 176 VAL CB C 13 31.4 0.30 . 1 . . . . 176 VAL CB . 7115 1 1359 . 1 1 176 176 VAL CG1 C 13 20.2 0.30 . 1 . . . . 176 VAL CG1 . 7115 1 1360 . 1 1 176 176 VAL CG2 C 13 23.2 0.30 . 1 . . . . 176 VAL CG2 . 7115 1 1361 . 1 1 176 176 VAL N N 15 116.1 0.30 . 1 . . . . 176 VAL N . 7115 1 1362 . 1 1 177 177 THR H H 1 7.83 0.03 . 1 . . . . 177 THR H . 7115 1 1363 . 1 1 177 177 THR HA H 1 3.90 0.03 . 1 . . . . 177 THR HA . 7115 1 1364 . 1 1 177 177 THR HB H 1 3.69 0.03 . 1 . . . . 177 THR HB . 7115 1 1365 . 1 1 177 177 THR HG21 H 1 0.82 0.03 . 1 . . . . 177 THR HG2 . 7115 1 1366 . 1 1 177 177 THR HG22 H 1 0.82 0.03 . 1 . . . . 177 THR HG2 . 7115 1 1367 . 1 1 177 177 THR HG23 H 1 0.82 0.03 . 1 . . . . 177 THR HG2 . 7115 1 1368 . 1 1 177 177 THR C C 13 175.7 0.30 . 1 . . . . 177 THR C . 7115 1 1369 . 1 1 177 177 THR CA C 13 66.0 0.30 . 1 . . . . 177 THR CA . 7115 1 1370 . 1 1 177 177 THR N N 15 112.4 0.30 . 1 . . . . 177 THR N . 7115 1 1371 . 1 1 178 178 HIS H H 1 7.40 0.03 . 1 . . . . 178 HIS H . 7115 1 1372 . 1 1 178 178 HIS HB3 H 1 2.71 0.03 . 2 . . . . 178 HIS HB3 . 7115 1 1373 . 1 1 178 178 HIS C C 13 176.6 0.30 . 1 . . . . 178 HIS C . 7115 1 1374 . 1 1 178 178 HIS CA C 13 60.4 0.30 . 1 . . . . 178 HIS CA . 7115 1 1375 . 1 1 178 178 HIS N N 15 123.6 0.30 . 1 . . . . 178 HIS N . 7115 1 1376 . 1 1 179 179 ILE H H 1 8.07 0.03 . 1 . . . . 179 ILE H . 7115 1 1377 . 1 1 179 179 ILE HG12 H 1 1.40 0.03 . 1 . . . . 179 ILE HG12 . 7115 1 1378 . 1 1 179 179 ILE HG13 H 1 1.36 0.03 . 1 . . . . 179 ILE HG13 . 7115 1 1379 . 1 1 179 179 ILE HG21 H 1 0.45 0.03 . 1 . . . . 179 ILE HG2 . 7115 1 1380 . 1 1 179 179 ILE HG22 H 1 0.45 0.03 . 1 . . . . 179 ILE HG2 . 7115 1 1381 . 1 1 179 179 ILE HG23 H 1 0.45 0.03 . 1 . . . . 179 ILE HG2 . 7115 1 1382 . 1 1 179 179 ILE HD11 H 1 -0.19 0.03 . 1 . . . . 179 ILE HD1 . 7115 1 1383 . 1 1 179 179 ILE HD12 H 1 -0.19 0.03 . 1 . . . . 179 ILE HD1 . 7115 1 1384 . 1 1 179 179 ILE HD13 H 1 -0.19 0.03 . 1 . . . . 179 ILE HD1 . 7115 1 1385 . 1 1 179 179 ILE C C 13 176.7 0.30 . 1 . . . . 179 ILE C . 7115 1 1386 . 1 1 179 179 ILE CA C 13 64.2 0.30 . 1 . . . . 179 ILE CA . 7115 1 1387 . 1 1 179 179 ILE CG2 C 13 13.5 0.30 . 1 . . . . 179 ILE CG2 . 7115 1 1388 . 1 1 179 179 ILE CD1 C 13 14.9 0.30 . 1 . . . . 179 ILE CD1 . 7115 1 1389 . 1 1 179 179 ILE N N 15 116.8 0.30 . 1 . . . . 179 ILE N . 7115 1 1390 . 1 1 180 180 GLY H H 1 7.50 0.03 . 1 . . . . 180 GLY H . 7115 1 1391 . 1 1 180 180 GLY C C 13 174.0 0.30 . 1 . . . . 180 GLY C . 7115 1 1392 . 1 1 180 180 GLY CA C 13 45.8 0.30 . 1 . . . . 180 GLY CA . 7115 1 1393 . 1 1 180 180 GLY N N 15 104.6 0.30 . 1 . . . . 180 GLY N . 7115 1 1394 . 1 1 181 181 ARG H H 1 7.59 0.03 . 1 . . . . 181 ARG H . 7115 1 1395 . 1 1 181 181 ARG HB3 H 1 1.50 0.03 . 2 . . . . 181 ARG HB3 . 7115 1 1396 . 1 1 181 181 ARG C C 13 179.4 0.30 . 1 . . . . 181 ARG C . 7115 1 1397 . 1 1 181 181 ARG CA C 13 59.5 0.30 . 1 . . . . 181 ARG CA . 7115 1 1398 . 1 1 181 181 ARG N N 15 120.8 0.30 . 1 . . . . 181 ARG N . 7115 1 1399 . 1 1 182 182 VAL H H 1 7.99 0.03 . 1 . . . . 182 VAL H . 7115 1 1400 . 1 1 182 182 VAL HB H 1 1.82 0.03 . 1 . . . . 182 VAL HB . 7115 1 1401 . 1 1 182 182 VAL HG11 H 1 0.50 0.03 . 2 . . . . 182 VAL HG1 . 7115 1 1402 . 1 1 182 182 VAL HG12 H 1 0.50 0.03 . 2 . . . . 182 VAL HG1 . 7115 1 1403 . 1 1 182 182 VAL HG13 H 1 0.50 0.03 . 2 . . . . 182 VAL HG1 . 7115 1 1404 . 1 1 182 182 VAL C C 13 177.9 0.30 . 1 . . . . 182 VAL C . 7115 1 1405 . 1 1 182 182 VAL CA C 13 65.6 0.30 . 1 . . . . 182 VAL CA . 7115 1 1406 . 1 1 182 182 VAL CG1 C 13 22.0 0.30 . 1 . . . . 182 VAL CG1 . 7115 1 1407 . 1 1 182 182 VAL N N 15 120.4 0.30 . 1 . . . . 182 VAL N . 7115 1 1408 . 1 1 183 183 TYR H H 1 8.39 0.03 . 1 . . . . 183 TYR H . 7115 1 1409 . 1 1 183 183 TYR HD1 H 1 6.88 0.03 . 3 . . . . 183 TYR HD1 . 7115 1 1410 . 1 1 183 183 TYR HE1 H 1 6.55 0.03 . 3 . . . . 183 TYR HE1 . 7115 1 1411 . 1 1 183 183 TYR C C 13 176.6 0.30 . 1 . . . . 183 TYR C . 7115 1 1412 . 1 1 183 183 TYR CA C 13 58.5 0.30 . 1 . . . . 183 TYR CA . 7115 1 1413 . 1 1 183 183 TYR N N 15 121.1 0.30 . 1 . . . . 183 TYR N . 7115 1 1414 . 1 1 184 184 LYS H H 1 7.88 0.03 . 1 . . . . 184 LYS H . 7115 1 1415 . 1 1 184 184 LYS C C 13 178.9 0.30 . 1 . . . . 184 LYS C . 7115 1 1416 . 1 1 184 184 LYS CA C 13 59.8 0.30 . 1 . . . . 184 LYS CA . 7115 1 1417 . 1 1 184 184 LYS N N 15 116.9 0.30 . 1 . . . . 184 LYS N . 7115 1 1418 . 1 1 185 185 GLU H H 1 7.38 0.03 . 1 . . . . 185 GLU H . 7115 1 1419 . 1 1 185 185 GLU HA H 1 3.76 0.03 . 1 . . . . 185 GLU HA . 7115 1 1420 . 1 1 185 185 GLU HB2 H 1 1.87 0.03 . 2 . . . . 185 GLU HB2 . 7115 1 1421 . 1 1 185 185 GLU C C 13 180.3 0.30 . 1 . . . . 185 GLU C . 7115 1 1422 . 1 1 185 185 GLU CA C 13 58.6 0.30 . 1 . . . . 185 GLU CA . 7115 1 1423 . 1 1 185 185 GLU CB C 13 29.0 0.30 . 1 . . . . 185 GLU CB . 7115 1 1424 . 1 1 185 185 GLU N N 15 117.9 0.30 . 1 . . . . 185 GLU N . 7115 1 1425 . 1 1 186 186 ARG H H 1 8.50 0.03 . 1 . . . . 186 ARG H . 7115 1 1426 . 1 1 186 186 ARG HA H 1 4.18 0.03 . 1 . . . . 186 ARG HA . 7115 1 1427 . 1 1 186 186 ARG HB2 H 1 1.42 0.03 . 1 . . . . 186 ARG HB2 . 7115 1 1428 . 1 1 186 186 ARG HB3 H 1 1.67 0.03 . 1 . . . . 186 ARG HB3 . 7115 1 1429 . 1 1 186 186 ARG C C 13 178.9 0.30 . 1 . . . . 186 ARG C . 7115 1 1430 . 1 1 186 186 ARG CA C 13 57.3 0.30 . 1 . . . . 186 ARG CA . 7115 1 1431 . 1 1 186 186 ARG N N 15 121.7 0.30 . 1 . . . . 186 ARG N . 7115 1 1432 . 1 1 187 187 LEU H H 1 7.62 0.03 . 1 . . . . 187 LEU H . 7115 1 1433 . 1 1 187 187 LEU HB3 H 1 0.97 0.03 . 2 . . . . 187 LEU HB3 . 7115 1 1434 . 1 1 187 187 LEU HG H 1 0.98 0.03 . 1 . . . . 187 LEU HG . 7115 1 1435 . 1 1 187 187 LEU HD11 H 1 0.15 0.03 . 2 . . . . 187 LEU HD1 . 7115 1 1436 . 1 1 187 187 LEU HD12 H 1 0.15 0.03 . 2 . . . . 187 LEU HD1 . 7115 1 1437 . 1 1 187 187 LEU HD13 H 1 0.15 0.03 . 2 . . . . 187 LEU HD1 . 7115 1 1438 . 1 1 187 187 LEU HD21 H 1 -0.23 0.03 . 2 . . . . 187 LEU HD2 . 7115 1 1439 . 1 1 187 187 LEU HD22 H 1 -0.23 0.03 . 2 . . . . 187 LEU HD2 . 7115 1 1440 . 1 1 187 187 LEU HD23 H 1 -0.23 0.03 . 2 . . . . 187 LEU HD2 . 7115 1 1441 . 1 1 187 187 LEU C C 13 175.8 0.30 . 1 . . . . 187 LEU C . 7115 1 1442 . 1 1 187 187 LEU CA C 13 55.7 0.30 . 1 . . . . 187 LEU CA . 7115 1 1443 . 1 1 187 187 LEU CG C 13 26.6 0.30 . 1 . . . . 187 LEU CG . 7115 1 1444 . 1 1 187 187 LEU CD1 C 13 21.3 0.30 . 1 . . . . 187 LEU CD1 . 7115 1 1445 . 1 1 187 187 LEU CD2 C 13 23.7 0.30 . 1 . . . . 187 LEU CD2 . 7115 1 1446 . 1 1 187 187 LEU N N 15 117.0 0.30 . 1 . . . . 187 LEU N . 7115 1 1447 . 1 1 188 188 GLY H H 1 7.44 0.03 . 1 . . . . 188 GLY H . 7115 1 1448 . 1 1 188 188 GLY HA2 H 1 3.79 0.03 . 1 . . . . 188 GLY HA2 . 7115 1 1449 . 1 1 188 188 GLY HA3 H 1 3.69 0.03 . 1 . . . . 188 GLY HA3 . 7115 1 1450 . 1 1 188 188 GLY C C 13 175.3 0.30 . 1 . . . . 188 GLY C . 7115 1 1451 . 1 1 188 188 GLY CA C 13 45.1 0.30 . 1 . . . . 188 GLY CA . 7115 1 1452 . 1 1 188 188 GLY N N 15 107.1 0.30 . 1 . . . . 188 GLY N . 7115 1 1453 . 1 1 189 189 LEU H H 1 6.84 0.03 . 1 . . . . 189 LEU H . 7115 1 1454 . 1 1 189 189 LEU HB2 H 1 1.21 0.03 . 2 . . . . 189 LEU HB2 . 7115 1 1455 . 1 1 189 189 LEU HG H 1 0.98 0.03 . 1 . . . . 189 LEU HG . 7115 1 1456 . 1 1 189 189 LEU HD11 H 1 0.65 0.03 . 2 . . . . 189 LEU HD1 . 7115 1 1457 . 1 1 189 189 LEU HD12 H 1 0.65 0.03 . 2 . . . . 189 LEU HD1 . 7115 1 1458 . 1 1 189 189 LEU HD13 H 1 0.65 0.03 . 2 . . . . 189 LEU HD1 . 7115 1 1459 . 1 1 189 189 LEU HD21 H 1 0.39 0.03 . 2 . . . . 189 LEU HD2 . 7115 1 1460 . 1 1 189 189 LEU HD22 H 1 0.39 0.03 . 2 . . . . 189 LEU HD2 . 7115 1 1461 . 1 1 189 189 LEU HD23 H 1 0.39 0.03 . 2 . . . . 189 LEU HD2 . 7115 1 1462 . 1 1 189 189 LEU CA C 13 52.6 0.30 . 1 . . . . 189 LEU CA . 7115 1 1463 . 1 1 189 189 LEU CD2 C 13 25.1 0.30 . 1 . . . . 189 LEU CD2 . 7115 1 1464 . 1 1 189 189 LEU N N 15 119.0 0.30 . 1 . . . . 189 LEU N . 7115 1 1465 . 1 1 191 191 PRO HB2 H 1 1.85 0.03 . 1 . . . . 191 PRO HB2 . 7115 1 1466 . 1 1 191 191 PRO HB3 H 1 2.14 0.03 . 1 . . . . 191 PRO HB3 . 7115 1 1467 . 1 1 191 191 PRO HG2 H 1 1.71 0.03 . 1 . . . . 191 PRO HG2 . 7115 1 1468 . 1 1 191 191 PRO HD3 H 1 3.32 0.03 . 1 . . . . 191 PRO HD3 . 7115 1 1469 . 1 1 191 191 PRO HD2 H 1 3.26 0.03 . 2 . . . . 191 PRO HD2 . 7115 1 1470 . 1 1 191 191 PRO C C 13 178.2 0.30 . 1 . . . . 191 PRO C . 7115 1 1471 . 1 1 191 191 PRO CA C 13 64.7 0.30 . 1 . . . . 191 PRO CA . 7115 1 1472 . 1 1 191 191 PRO CB C 13 35.9 0.30 . 1 . . . . 191 PRO CB . 7115 1 1473 . 1 1 191 191 PRO CG C 13 24.3 0.30 . 1 . . . . 191 PRO CG . 7115 1 1474 . 1 1 191 191 PRO CD C 13 49.5 0.30 . 1 . . . . 191 PRO CD . 7115 1 1475 . 1 1 192 192 LYS H H 1 7.66 0.03 . 1 . . . . 192 LYS H . 7115 1 1476 . 1 1 192 192 LYS HA H 1 3.91 0.03 . 1 . . . . 192 LYS HA . 7115 1 1477 . 1 1 192 192 LYS HB2 H 1 1.81 0.03 . 1 . . . . 192 LYS HB2 . 7115 1 1478 . 1 1 192 192 LYS HB3 H 1 1.65 0.03 . 1 . . . . 192 LYS HB3 . 7115 1 1479 . 1 1 192 192 LYS HG2 H 1 1.13 0.03 . 2 . . . . 192 LYS HG2 . 7115 1 1480 . 1 1 192 192 LYS C C 13 176.8 0.30 . 1 . . . . 192 LYS C . 7115 1 1481 . 1 1 192 192 LYS CA C 13 56.7 0.30 . 1 . . . . 192 LYS CA . 7115 1 1482 . 1 1 192 192 LYS N N 15 112.4 0.30 . 1 . . . . 192 LYS N . 7115 1 1483 . 1 1 193 193 ILE H H 1 7.47 0.03 . 1 . . . . 193 ILE H . 7115 1 1484 . 1 1 193 193 ILE HA H 1 4.00 0.03 . 1 . . . . 193 ILE HA . 7115 1 1485 . 1 1 193 193 ILE HB H 1 1.79 0.03 . 1 . . . . 193 ILE HB . 7115 1 1486 . 1 1 193 193 ILE HG12 H 1 1.11 0.03 . 1 . . . . 193 ILE HG12 . 7115 1 1487 . 1 1 193 193 ILE HG13 H 1 1.27 0.03 . 1 . . . . 193 ILE HG13 . 7115 1 1488 . 1 1 193 193 ILE HG21 H 1 0.67 0.03 . 1 . . . . 193 ILE HG2 . 7115 1 1489 . 1 1 193 193 ILE HG22 H 1 0.67 0.03 . 1 . . . . 193 ILE HG2 . 7115 1 1490 . 1 1 193 193 ILE HG23 H 1 0.67 0.03 . 1 . . . . 193 ILE HG2 . 7115 1 1491 . 1 1 193 193 ILE HD11 H 1 0.65 0.03 . 1 . . . . 193 ILE HD1 . 7115 1 1492 . 1 1 193 193 ILE HD12 H 1 0.65 0.03 . 1 . . . . 193 ILE HD1 . 7115 1 1493 . 1 1 193 193 ILE HD13 H 1 0.65 0.03 . 1 . . . . 193 ILE HD1 . 7115 1 1494 . 1 1 193 193 ILE C C 13 174.5 0.30 . 1 . . . . 193 ILE C . 7115 1 1495 . 1 1 193 193 ILE CA C 13 59.5 0.30 . 1 . . . . 193 ILE CA . 7115 1 1496 . 1 1 193 193 ILE CB C 13 36.1 0.30 . 1 . . . . 193 ILE CB . 7115 1 1497 . 1 1 193 193 ILE CG1 C 13 26.6 0.30 . 1 . . . . 193 ILE CG1 . 7115 1 1498 . 1 1 193 193 ILE CG2 C 13 16.9 0.30 . 1 . . . . 193 ILE CG2 . 7115 1 1499 . 1 1 193 193 ILE CD1 C 13 10.8 0.30 . 1 . . . . 193 ILE CD1 . 7115 1 1500 . 1 1 193 193 ILE N N 15 122.5 0.30 . 1 . . . . 193 ILE N . 7115 1 1501 . 1 1 194 194 VAL H H 1 7.94 0.03 . 1 . . . . 194 VAL H . 7115 1 1502 . 1 1 194 194 VAL HA H 1 4.31 0.03 . 1 . . . . 194 VAL HA . 7115 1 1503 . 1 1 194 194 VAL HB H 1 1.77 0.03 . 1 . . . . 194 VAL HB . 7115 1 1504 . 1 1 194 194 VAL HG11 H 1 0.68 0.03 . 2 . . . . 194 VAL HG1 . 7115 1 1505 . 1 1 194 194 VAL HG12 H 1 0.68 0.03 . 2 . . . . 194 VAL HG1 . 7115 1 1506 . 1 1 194 194 VAL HG13 H 1 0.68 0.03 . 2 . . . . 194 VAL HG1 . 7115 1 1507 . 1 1 194 194 VAL HG21 H 1 0.67 0.03 . 2 . . . . 194 VAL HG2 . 7115 1 1508 . 1 1 194 194 VAL HG22 H 1 0.67 0.03 . 2 . . . . 194 VAL HG2 . 7115 1 1509 . 1 1 194 194 VAL HG23 H 1 0.67 0.03 . 2 . . . . 194 VAL HG2 . 7115 1 1510 . 1 1 194 194 VAL C C 13 176.9 0.30 . 1 . . . . 194 VAL C . 7115 1 1511 . 1 1 194 194 VAL CA C 13 60.7 0.30 . 1 . . . . 194 VAL CA . 7115 1 1512 . 1 1 194 194 VAL N N 15 126.5 0.30 . 1 . . . . 194 VAL N . 7115 1 1513 . 1 1 195 195 ILE H H 1 8.84 0.03 . 1 . . . . 195 ILE H . 7115 1 1514 . 1 1 195 195 ILE HB H 1 1.86 0.03 . 1 . . . . 195 ILE HB . 7115 1 1515 . 1 1 195 195 ILE HG12 H 1 0.69 0.03 . 1 . . . . 195 ILE HG12 . 7115 1 1516 . 1 1 195 195 ILE HG13 H 1 1.40 0.03 . 1 . . . . 195 ILE HG13 . 7115 1 1517 . 1 1 195 195 ILE HG21 H 1 0.70 0.03 . 1 . . . . 195 ILE HG2 . 7115 1 1518 . 1 1 195 195 ILE HG22 H 1 0.70 0.03 . 1 . . . . 195 ILE HG2 . 7115 1 1519 . 1 1 195 195 ILE HG23 H 1 0.70 0.03 . 1 . . . . 195 ILE HG2 . 7115 1 1520 . 1 1 195 195 ILE HD11 H 1 0.28 0.03 . 1 . . . . 195 ILE HD1 . 7115 1 1521 . 1 1 195 195 ILE HD12 H 1 0.28 0.03 . 1 . . . . 195 ILE HD1 . 7115 1 1522 . 1 1 195 195 ILE HD13 H 1 0.28 0.03 . 1 . . . . 195 ILE HD1 . 7115 1 1523 . 1 1 195 195 ILE C C 13 174.6 0.30 . 1 . . . . 195 ILE C . 7115 1 1524 . 1 1 195 195 ILE CA C 13 59.6 0.30 . 1 . . . . 195 ILE CA . 7115 1 1525 . 1 1 195 195 ILE CG1 C 13 26.1 0.30 . 1 . . . . 195 ILE CG1 . 7115 1 1526 . 1 1 195 195 ILE CG2 C 13 17.8 0.30 . 1 . . . . 195 ILE CG2 . 7115 1 1527 . 1 1 195 195 ILE CD1 C 13 12.7 0.30 . 1 . . . . 195 ILE CD1 . 7115 1 1528 . 1 1 195 195 ILE N N 15 123.4 0.30 . 1 . . . . 195 ILE N . 7115 1 1529 . 1 1 196 196 GLY H H 1 8.16 0.03 . 1 . . . . 196 GLY H . 7115 1 1530 . 1 1 196 196 GLY HA2 H 1 5.12 0.03 . 1 . . . . 196 GLY HA2 . 7115 1 1531 . 1 1 196 196 GLY HA3 H 1 3.43 0.03 . 1 . . . . 196 GLY HA3 . 7115 1 1532 . 1 1 196 196 GLY C C 13 171.2 0.30 . 1 . . . . 196 GLY C . 7115 1 1533 . 1 1 196 196 GLY CA C 13 43.6 0.30 . 1 . . . . 196 GLY CA . 7115 1 1534 . 1 1 196 196 GLY N N 15 108.9 0.30 . 1 . . . . 196 GLY N . 7115 1 1535 . 1 1 197 197 TYR H H 1 8.04 0.03 . 1 . . . . 197 TYR H . 7115 1 1536 . 1 1 197 197 TYR HA H 1 4.88 0.03 . 1 . . . . 197 TYR HA . 7115 1 1537 . 1 1 197 197 TYR HD1 H 1 6.67 0.03 . 3 . . . . 197 TYR HD1 . 7115 1 1538 . 1 1 197 197 TYR HE1 H 1 6.83 0.03 . 3 . . . . 197 TYR HE1 . 7115 1 1539 . 1 1 197 197 TYR C C 13 175.3 0.30 . 1 . . . . 197 TYR C . 7115 1 1540 . 1 1 197 197 TYR CA C 13 54.6 0.30 . 1 . . . . 197 TYR CA . 7115 1 1541 . 1 1 197 197 TYR N N 15 124.1 0.30 . 1 . . . . 197 TYR N . 7115 1 1542 . 1 1 198 198 GLN H H 1 7.52 0.03 . 1 . . . . 198 GLN H . 7115 1 1543 . 1 1 198 198 GLN HB2 H 1 2.00 0.03 . 2 . . . . 198 GLN HB2 . 7115 1 1544 . 1 1 198 198 GLN HG2 H 1 2.48 0.03 . 2 . . . . 198 GLN HG2 . 7115 1 1545 . 1 1 198 198 GLN C C 13 175.5 0.30 . 1 . . . . 198 GLN C . 7115 1 1546 . 1 1 198 198 GLN CA C 13 52.7 0.30 . 1 . . . . 198 GLN CA . 7115 1 1547 . 1 1 198 198 GLN N N 15 125.3 0.30 . 1 . . . . 198 GLN N . 7115 1 1548 . 1 1 199 199 SER H H 1 9.02 0.03 . 1 . . . . 199 SER H . 7115 1 1549 . 1 1 199 199 SER HA H 1 3.84 0.03 . 1 . . . . 199 SER HA . 7115 1 1550 . 1 1 199 199 SER HB2 H 1 3.50 0.03 . 1 . . . . 199 SER HB2 . 7115 1 1551 . 1 1 199 199 SER HB3 H 1 3.48 0.03 . 1 . . . . 199 SER HB3 . 7115 1 1552 . 1 1 199 199 SER C C 13 175.7 0.30 . 1 . . . . 199 SER C . 7115 1 1553 . 1 1 199 199 SER CA C 13 56.6 0.30 . 1 . . . . 199 SER CA . 7115 1 1554 . 1 1 199 199 SER CB C 13 61.2 0.30 . 1 . . . . 199 SER CB . 7115 1 1555 . 1 1 199 199 SER N N 15 120.4 0.30 . 1 . . . . 199 SER N . 7115 1 1556 . 1 1 200 200 HIS H H 1 8.11 0.03 . 1 . . . . 200 HIS H . 7115 1 1557 . 1 1 200 200 HIS C C 13 178.0 0.30 . 1 . . . . 200 HIS C . 7115 1 1558 . 1 1 200 200 HIS CA C 13 57.3 0.30 . 1 . . . . 200 HIS CA . 7115 1 1559 . 1 1 200 200 HIS N N 15 126.6 0.30 . 1 . . . . 200 HIS N . 7115 1 1560 . 1 1 201 201 ALA H H 1 8.06 0.03 . 1 . . . . 201 ALA H . 7115 1 1561 . 1 1 201 201 ALA HA H 1 3.21 0.03 . 1 . . . . 201 ALA HA . 7115 1 1562 . 1 1 201 201 ALA HB1 H 1 1.08 0.03 . 1 . . . . 201 ALA HB . 7115 1 1563 . 1 1 201 201 ALA HB2 H 1 1.08 0.03 . 1 . . . . 201 ALA HB . 7115 1 1564 . 1 1 201 201 ALA HB3 H 1 1.08 0.03 . 1 . . . . 201 ALA HB . 7115 1 1565 . 1 1 201 201 ALA C C 13 179.6 0.30 . 1 . . . . 201 ALA C . 7115 1 1566 . 1 1 201 201 ALA CA C 13 53.9 0.30 . 1 . . . . 201 ALA CA . 7115 1 1567 . 1 1 201 201 ALA CB C 13 17.5 0.30 . 1 . . . . 201 ALA CB . 7115 1 1568 . 1 1 201 201 ALA N N 15 121.7 0.30 . 1 . . . . 201 ALA N . 7115 1 1569 . 1 1 202 202 ASP H H 1 7.20 0.03 . 1 . . . . 202 ASP H . 7115 1 1570 . 1 1 202 202 ASP HB2 H 1 2.50 0.03 . 1 . . . . 202 ASP HB2 . 7115 1 1571 . 1 1 202 202 ASP HB3 H 1 2.36 0.03 . 1 . . . . 202 ASP HB3 . 7115 1 1572 . 1 1 202 202 ASP C C 13 177.9 0.30 . 1 . . . . 202 ASP C . 7115 1 1573 . 1 1 202 202 ASP CA C 13 55.7 0.30 . 1 . . . . 202 ASP CA . 7115 1 1574 . 1 1 202 202 ASP N N 15 118.1 0.30 . 1 . . . . 202 ASP N . 7115 1 1575 . 1 1 203 203 THR H H 1 7.36 0.03 . 1 . . . . 203 THR H . 7115 1 1576 . 1 1 203 203 THR HB H 1 3.76 0.03 . 1 . . . . 203 THR HB . 7115 1 1577 . 1 1 203 203 THR HG21 H 1 0.78 0.03 . 1 . . . . 203 THR HG2 . 7115 1 1578 . 1 1 203 203 THR HG22 H 1 0.78 0.03 . 1 . . . . 203 THR HG2 . 7115 1 1579 . 1 1 203 203 THR HG23 H 1 0.78 0.03 . 1 . . . . 203 THR HG2 . 7115 1 1580 . 1 1 203 203 THR C C 13 175.6 0.30 . 1 . . . . 203 THR C . 7115 1 1581 . 1 1 203 203 THR CA C 13 63.6 0.30 . 1 . . . . 203 THR CA . 7115 1 1582 . 1 1 203 203 THR CB C 13 68.3 0.30 . 1 . . . . 203 THR CB . 7115 1 1583 . 1 1 203 203 THR CG2 C 13 21.3 0.30 . 1 . . . . 203 THR CG2 . 7115 1 1584 . 1 1 203 203 THR N N 15 114.5 0.30 . 1 . . . . 203 THR N . 7115 1 1585 . 1 1 204 204 ALA H H 1 7.33 0.03 . 1 . . . . 204 ALA H . 7115 1 1586 . 1 1 204 204 ALA HA H 1 3.74 0.03 . 1 . . . . 204 ALA HA . 7115 1 1587 . 1 1 204 204 ALA HB1 H 1 0.70 0.03 . 1 . . . . 204 ALA HB . 7115 1 1588 . 1 1 204 204 ALA HB2 H 1 0.70 0.03 . 1 . . . . 204 ALA HB . 7115 1 1589 . 1 1 204 204 ALA HB3 H 1 0.70 0.03 . 1 . . . . 204 ALA HB . 7115 1 1590 . 1 1 204 204 ALA C C 13 178.4 0.30 . 1 . . . . 204 ALA C . 7115 1 1591 . 1 1 204 204 ALA CA C 13 53.0 0.30 . 1 . . . . 204 ALA CA . 7115 1 1592 . 1 1 204 204 ALA CB C 13 18.4 0.30 . 1 . . . . 204 ALA CB . 7115 1 1593 . 1 1 204 204 ALA N N 15 123.5 0.30 . 1 . . . . 204 ALA N . 7115 1 1594 . 1 1 205 205 THR H H 1 7.31 0.03 . 1 . . . . 205 THR H . 7115 1 1595 . 1 1 205 205 THR HA H 1 4.06 0.03 . 1 . . . . 205 THR HA . 7115 1 1596 . 1 1 205 205 THR HB H 1 3.76 0.03 . 1 . . . . 205 THR HB . 7115 1 1597 . 1 1 205 205 THR HG21 H 1 0.96 0.03 . 1 . . . . 205 THR HG2 . 7115 1 1598 . 1 1 205 205 THR HG22 H 1 0.96 0.03 . 1 . . . . 205 THR HG2 . 7115 1 1599 . 1 1 205 205 THR HG23 H 1 0.96 0.03 . 1 . . . . 205 THR HG2 . 7115 1 1600 . 1 1 205 205 THR C C 13 174.5 0.30 . 1 . . . . 205 THR C . 7115 1 1601 . 1 1 205 205 THR CA C 13 61.5 0.30 . 1 . . . . 205 THR CA . 7115 1 1602 . 1 1 205 205 THR N N 15 110.4 0.30 . 1 . . . . 205 THR N . 7115 1 1603 . 1 1 206 206 LYS H H 1 7.80 0.03 . 1 . . . . 206 LYS H . 7115 1 1604 . 1 1 206 206 LYS HB3 H 1 1.56 0.03 . 2 . . . . 206 LYS HB3 . 7115 1 1605 . 1 1 206 206 LYS HG2 H 1 1.14 0.03 . 2 . . . . 206 LYS HG2 . 7115 1 1606 . 1 1 206 206 LYS CA C 13 56.0 0.30 . 1 . . . . 206 LYS CA . 7115 1 1607 . 1 1 206 206 LYS N N 15 123.1 0.30 . 1 . . . . 206 LYS N . 7115 1 1608 . 1 1 207 207 SER C C 13 175.3 0.30 . 1 . . . . 207 SER C . 7115 1 1609 . 1 1 208 208 GLY H H 1 8.27 0.03 . 1 . . . . 208 GLY H . 7115 1 1610 . 1 1 208 208 GLY N N 15 111.8 0.30 . 1 . . . . 208 GLY N . 7115 1 1611 . 1 1 209 209 SER C C 13 174.7 0.30 . 1 . . . . 209 SER C . 7115 1 1612 . 1 1 209 209 SER CA C 13 58.0 0.30 . 1 . . . . 209 SER CA . 7115 1 1613 . 1 1 210 210 THR H H 1 7.95 0.03 . 1 . . . . 210 THR H . 7115 1 1614 . 1 1 210 210 THR C C 13 174.3 0.30 . 1 . . . . 210 THR C . 7115 1 1615 . 1 1 210 210 THR CA C 13 61.3 0.30 . 1 . . . . 210 THR CA . 7115 1 1616 . 1 1 210 210 THR N N 15 115.8 0.30 . 1 . . . . 210 THR N . 7115 1 1617 . 1 1 211 211 THR H H 1 7.95 0.03 . 1 . . . . 211 THR H . 7115 1 1618 . 1 1 211 211 THR HA H 1 3.89 0.03 . 1 . . . . 211 THR HA . 7115 1 1619 . 1 1 211 211 THR HB H 1 3.71 0.03 . 1 . . . . 211 THR HB . 7115 1 1620 . 1 1 211 211 THR HG21 H 1 0.87 0.03 . 1 . . . . 211 THR HG2 . 7115 1 1621 . 1 1 211 211 THR HG22 H 1 0.87 0.03 . 1 . . . . 211 THR HG2 . 7115 1 1622 . 1 1 211 211 THR HG23 H 1 0.87 0.03 . 1 . . . . 211 THR HG2 . 7115 1 1623 . 1 1 211 211 THR C C 13 173.8 0.30 . 1 . . . . 211 THR C . 7115 1 1624 . 1 1 211 211 THR CA C 13 61.8 0.30 . 1 . . . . 211 THR CA . 7115 1 1625 . 1 1 211 211 THR CB C 13 69.0 0.30 . 1 . . . . 211 THR CB . 7115 1 1626 . 1 1 211 211 THR CG2 C 13 21.4 0.30 . 1 . . . . 211 THR CG2 . 7115 1 1627 . 1 1 211 211 THR N N 15 119.3 0.30 . 1 . . . . 211 THR N . 7115 1 1628 . 1 1 212 212 LYS H H 1 8.16 0.03 . 1 . . . . 212 LYS H . 7115 1 1629 . 1 1 212 212 LYS HA H 1 3.96 0.03 . 1 . . . . 212 LYS HA . 7115 1 1630 . 1 1 212 212 LYS HB2 H 1 1.43 0.03 . 1 . . . . 212 LYS HB2 . 7115 1 1631 . 1 1 212 212 LYS HB3 H 1 1.39 0.03 . 1 . . . . 212 LYS HB3 . 7115 1 1632 . 1 1 212 212 LYS HG2 H 1 1.06 0.03 . 1 . . . . 212 LYS HG2 . 7115 1 1633 . 1 1 212 212 LYS HG3 H 1 1.04 0.03 . 1 . . . . 212 LYS HG3 . 7115 1 1634 . 1 1 212 212 LYS HD2 H 1 1.33 0.03 . 2 . . . . 212 LYS HD2 . 7115 1 1635 . 1 1 212 212 LYS HE2 H 1 2.63 0.03 . 1 . . . . 212 LYS HE2 . 7115 1 1636 . 1 1 212 212 LYS HE3 H 1 2.68 0.03 . 1 . . . . 212 LYS HE3 . 7115 1 1637 . 1 1 212 212 LYS C C 13 175.8 0.30 . 1 . . . . 212 LYS C . 7115 1 1638 . 1 1 212 212 LYS CA C 13 55.4 0.30 . 1 . . . . 212 LYS CA . 7115 1 1639 . 1 1 212 212 LYS CB C 13 32.6 0.30 . 1 . . . . 212 LYS CB . 7115 1 1640 . 1 1 212 212 LYS CG C 13 26.0 0.30 . 1 . . . . 212 LYS CG . 7115 1 1641 . 1 1 212 212 LYS CD C 13 28.7 0.30 . 1 . . . . 212 LYS CD . 7115 1 1642 . 1 1 212 212 LYS CE C 13 41.52 0.30 . 1 . . . . 212 LYS CE . 7115 1 1643 . 1 1 212 212 LYS N N 15 125.7 0.30 . 1 . . . . 212 LYS N . 7115 1 1644 . 1 1 213 213 ASN H H 1 8.31 0.03 . 1 . . . . 213 ASN H . 7115 1 1645 . 1 1 213 213 ASN HB2 H 1 2.55 0.03 . 1 . . . . 213 ASN HB2 . 7115 1 1646 . 1 1 213 213 ASN HB3 H 1 2.39 0.03 . 1 . . . . 213 ASN HB3 . 7115 1 1647 . 1 1 213 213 ASN HD21 H 1 7.44 0.03 . 1 . . . . 213 ASN HD21 . 7115 1 1648 . 1 1 213 213 ASN HD22 H 1 6.79 0.03 . 1 . . . . 213 ASN HD22 . 7115 1 1649 . 1 1 213 213 ASN C C 13 175.8 0.30 . 1 . . . . 213 ASN C . 7115 1 1650 . 1 1 213 213 ASN CA C 13 52.5 0.30 . 1 . . . . 213 ASN CA . 7115 1 1651 . 1 1 213 213 ASN N N 15 120.7 0.30 . 1 . . . . 213 ASN N . 7115 1 1652 . 1 1 213 213 ASN ND2 N 15 114.1 0.30 . 1 . . . . 213 ASN ND2 . 7115 1 1653 . 1 1 214 214 ARG H H 1 8.80 0.03 . 1 . . . . 214 ARG H . 7115 1 1654 . 1 1 214 214 ARG C C 13 175.6 0.30 . 1 . . . . 214 ARG C . 7115 1 1655 . 1 1 214 214 ARG CA C 13 56.5 0.30 . 1 . . . . 214 ARG CA . 7115 1 1656 . 1 1 214 214 ARG N N 15 124.0 0.30 . 1 . . . . 214 ARG N . 7115 1 1657 . 1 1 215 215 PHE H H 1 7.18 0.03 . 1 . . . . 215 PHE H . 7115 1 1658 . 1 1 215 215 PHE HB2 H 1 3.15 0.03 . 1 . . . . 215 PHE HB2 . 7115 1 1659 . 1 1 215 215 PHE HB3 H 1 2.16 0.03 . 1 . . . . 215 PHE HB3 . 7115 1 1660 . 1 1 215 215 PHE HD1 H 1 6.62 0.03 . 3 . . . . 215 PHE HD1 . 7115 1 1661 . 1 1 215 215 PHE HE1 H 1 6.78 0.03 . 3 . . . . 215 PHE HE1 . 7115 1 1662 . 1 1 215 215 PHE C C 13 173.8 0.30 . 1 . . . . 215 PHE C . 7115 1 1663 . 1 1 215 215 PHE CA C 13 55.0 0.30 . 1 . . . . 215 PHE CA . 7115 1 1664 . 1 1 215 215 PHE N N 15 113.0 0.30 . 1 . . . . 215 PHE N . 7115 1 1665 . 1 1 216 216 VAL H H 1 8.33 0.03 . 1 . . . . 216 VAL H . 7115 1 1666 . 1 1 216 216 VAL HA H 1 5.47 0.03 . 1 . . . . 216 VAL HA . 7115 1 1667 . 1 1 216 216 VAL HB H 1 1.98 0.03 . 1 . . . . 216 VAL HB . 7115 1 1668 . 1 1 216 216 VAL HG11 H 1 0.77 0.03 . 2 . . . . 216 VAL HG1 . 7115 1 1669 . 1 1 216 216 VAL HG12 H 1 0.77 0.03 . 2 . . . . 216 VAL HG1 . 7115 1 1670 . 1 1 216 216 VAL HG13 H 1 0.77 0.03 . 2 . . . . 216 VAL HG1 . 7115 1 1671 . 1 1 216 216 VAL HG21 H 1 0.68 0.03 . 2 . . . . 216 VAL HG2 . 7115 1 1672 . 1 1 216 216 VAL HG22 H 1 0.68 0.03 . 2 . . . . 216 VAL HG2 . 7115 1 1673 . 1 1 216 216 VAL HG23 H 1 0.68 0.03 . 2 . . . . 216 VAL HG2 . 7115 1 1674 . 1 1 216 216 VAL C C 13 175.4 0.30 . 1 . . . . 216 VAL C . 7115 1 1675 . 1 1 216 216 VAL CA C 13 60.0 0.30 . 1 . . . . 216 VAL CA . 7115 1 1676 . 1 1 216 216 VAL CB C 13 35.7 0.30 . 1 . . . . 216 VAL CB . 7115 1 1677 . 1 1 216 216 VAL CG1 C 13 21.8 0.30 . 1 . . . . 216 VAL CG1 . 7115 1 1678 . 1 1 216 216 VAL CG2 C 13 18.5 0.30 . 1 . . . . 216 VAL CG2 . 7115 1 1679 . 1 1 216 216 VAL N N 15 116.4 0.30 . 1 . . . . 216 VAL N . 7115 1 1680 . 1 1 217 217 VAL H H 1 8.43 0.03 . 1 . . . . 217 VAL H . 7115 1 1681 . 1 1 217 217 VAL HA H 1 3.98 0.03 . 1 . . . . 217 VAL HA . 7115 1 1682 . 1 1 217 217 VAL HB H 1 1.78 0.03 . 1 . . . . 217 VAL HB . 7115 1 1683 . 1 1 217 217 VAL HG11 H 1 0.67 0.03 . 2 . . . . 217 VAL HG1 . 7115 1 1684 . 1 1 217 217 VAL HG12 H 1 0.67 0.03 . 2 . . . . 217 VAL HG1 . 7115 1 1685 . 1 1 217 217 VAL HG13 H 1 0.67 0.03 . 2 . . . . 217 VAL HG1 . 7115 1 1686 . 1 1 217 217 VAL HG21 H 1 0.24 0.03 . 2 . . . . 217 VAL HG2 . 7115 1 1687 . 1 1 217 217 VAL HG22 H 1 0.24 0.03 . 2 . . . . 217 VAL HG2 . 7115 1 1688 . 1 1 217 217 VAL HG23 H 1 0.24 0.03 . 2 . . . . 217 VAL HG2 . 7115 1 1689 . 1 1 217 217 VAL CA C 13 62.8 0.30 . 1 . . . . 217 VAL CA . 7115 1 1690 . 1 1 217 217 VAL CB C 13 34.3 0.30 . 1 . . . . 217 VAL CB . 7115 1 1691 . 1 1 217 217 VAL CG1 C 13 20.8 0.30 . 1 . . . . 217 VAL CG1 . 7115 1 1692 . 1 1 217 217 VAL CG2 C 13 19.5 0.30 . 1 . . . . 217 VAL CG2 . 7115 1 1693 . 1 1 217 217 VAL N N 15 124.9 0.30 . 1 . . . . 217 VAL N . 7115 1 stop_ save_