data_18320 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18320 _Entry.Title ; Solution Structures of RadA intein from Pyrococcus horikoshii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-09 _Entry.Accession_date 2012-03-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Jesper Oeemig . S. . 18320 2 Dongwen Zhou . . . 18320 3 Tommi Kajander . . . 18320 4 Alexander Wlodawer . . . 18320 5 Hideo Iwai . . . 18320 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18320 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID intein . 18320 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18320 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 708 18320 '15N chemical shifts' 162 18320 '1H chemical shifts' 1204 18320 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 . . 2013-02-11 2012-03-09 update BMRB 'update entry citation' 18320 1 . . 2012-05-15 2012-03-09 original author 'original release' 18320 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LQM 'BMRB Entry Tracking System' 18320 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18320 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22560994 _Citation.Full_citation . _Citation.Title 'NMR and crystal structures of the Pyrococcus horikoshii RadA intein guide a strategy for engineering a highly efficient and promiscuous intein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 421 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 85 _Citation.Page_last 99 _Citation.Year 2012 _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 Jesper Oeemig . S. . 18320 1 2 Dongwen Zhou . . . 18320 1 3 Tommi Kajander . . . 18320 1 4 Alexander Wlodawer . . . 18320 1 5 Hideo Iwai . . . 18320 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18320 _Assembly.ID 1 _Assembly.Name 'PhoRadA intein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PhoRadA intein' 1 $PhoRadA_intein A . yes native no no . . . 18320 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PhoRadA_intein _Entity.Sf_category entity _Entity.Sf_framecode PhoRadA_intein _Entity.Entry_ID 18320 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PhoRadA_intein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AFARDTEVYYENDTVPHMES IEEMYSKYASMNGELPFDNG YAVPLDNVFVYTLDIASGEI KKTRASYIYREKVEKLIEIK LSSGYSLKVTPSHPVLLFRD GLQWVPAAEVKPGDVVVGVR EEVLRRRIISKGELEFHEVS SVRIIDYNNWVYDLVIPETH NFIAPNGLVLHNAQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 1-172 PhoRadA intein. Residue 173-174 is C-extein sequence' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 174 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Intein domain' _Entity.Mutation 'C1A, T173A' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19918.725 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LQM . "Solution Structures Of Rada Intein From Pyrococcus Horikoshii" . . . . . 100.00 174 100.00 100.00 2.97e-122 . . . . 18320 1 2 no PDB 4E2T . "Crystal Structures Of Rada Intein From Pyrococcus Horikoshii" . . . . . 100.00 174 100.00 100.00 2.97e-122 . . . . 18320 1 3 no DBJ BAA29335 . "529aa long hypothetical DNA repair protein [Pyrococcus horikoshii OT3]" . . . . . 100.00 529 98.85 98.85 1.55e-118 . . . . 18320 1 4 no REF WP_048053072 . "Pho RadA intein [Pyrococcus horikoshii]" . . . . . 100.00 526 98.85 98.85 1.42e-118 . . . . 18320 1 5 no SP O58001 . "RecName: Full=DNA repair and recombination protein RadA; Contains: RecName: Full=Pho RadA intein" . . . . . 100.00 529 98.85 98.85 1.55e-118 . . . . 18320 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 ALA . 18320 1 2 2 PHE . 18320 1 3 3 ALA . 18320 1 4 4 ARG . 18320 1 5 5 ASP . 18320 1 6 6 THR . 18320 1 7 7 GLU . 18320 1 8 8 VAL . 18320 1 9 9 TYR . 18320 1 10 10 TYR . 18320 1 11 11 GLU . 18320 1 12 12 ASN . 18320 1 13 13 ASP . 18320 1 14 14 THR . 18320 1 15 15 VAL . 18320 1 16 16 PRO . 18320 1 17 17 HIS . 18320 1 18 18 MET . 18320 1 19 19 GLU . 18320 1 20 20 SER . 18320 1 21 21 ILE . 18320 1 22 22 GLU . 18320 1 23 23 GLU . 18320 1 24 24 MET . 18320 1 25 25 TYR . 18320 1 26 26 SER . 18320 1 27 27 LYS . 18320 1 28 28 TYR . 18320 1 29 29 ALA . 18320 1 30 30 SER . 18320 1 31 31 MET . 18320 1 32 32 ASN . 18320 1 33 33 GLY . 18320 1 34 34 GLU . 18320 1 35 35 LEU . 18320 1 36 36 PRO . 18320 1 37 37 PHE . 18320 1 38 38 ASP . 18320 1 39 39 ASN . 18320 1 40 40 GLY . 18320 1 41 41 TYR . 18320 1 42 42 ALA . 18320 1 43 43 VAL . 18320 1 44 44 PRO . 18320 1 45 45 LEU . 18320 1 46 46 ASP . 18320 1 47 47 ASN . 18320 1 48 48 VAL . 18320 1 49 49 PHE . 18320 1 50 50 VAL . 18320 1 51 51 TYR . 18320 1 52 52 THR . 18320 1 53 53 LEU . 18320 1 54 54 ASP . 18320 1 55 55 ILE . 18320 1 56 56 ALA . 18320 1 57 57 SER . 18320 1 58 58 GLY . 18320 1 59 59 GLU . 18320 1 60 60 ILE . 18320 1 61 61 LYS . 18320 1 62 62 LYS . 18320 1 63 63 THR . 18320 1 64 64 ARG . 18320 1 65 65 ALA . 18320 1 66 66 SER . 18320 1 67 67 TYR . 18320 1 68 68 ILE . 18320 1 69 69 TYR . 18320 1 70 70 ARG . 18320 1 71 71 GLU . 18320 1 72 72 LYS . 18320 1 73 73 VAL . 18320 1 74 74 GLU . 18320 1 75 75 LYS . 18320 1 76 76 LEU . 18320 1 77 77 ILE . 18320 1 78 78 GLU . 18320 1 79 79 ILE . 18320 1 80 80 LYS . 18320 1 81 81 LEU . 18320 1 82 82 SER . 18320 1 83 83 SER . 18320 1 84 84 GLY . 18320 1 85 85 TYR . 18320 1 86 86 SER . 18320 1 87 87 LEU . 18320 1 88 88 LYS . 18320 1 89 89 VAL . 18320 1 90 90 THR . 18320 1 91 91 PRO . 18320 1 92 92 SER . 18320 1 93 93 HIS . 18320 1 94 94 PRO . 18320 1 95 95 VAL . 18320 1 96 96 LEU . 18320 1 97 97 LEU . 18320 1 98 98 PHE . 18320 1 99 99 ARG . 18320 1 100 100 ASP . 18320 1 101 101 GLY . 18320 1 102 102 LEU . 18320 1 103 103 GLN . 18320 1 104 104 TRP . 18320 1 105 105 VAL . 18320 1 106 106 PRO . 18320 1 107 107 ALA . 18320 1 108 108 ALA . 18320 1 109 109 GLU . 18320 1 110 110 VAL . 18320 1 111 111 LYS . 18320 1 112 112 PRO . 18320 1 113 113 GLY . 18320 1 114 114 ASP . 18320 1 115 115 VAL . 18320 1 116 116 VAL . 18320 1 117 117 VAL . 18320 1 118 118 GLY . 18320 1 119 119 VAL . 18320 1 120 120 ARG . 18320 1 121 121 GLU . 18320 1 122 122 GLU . 18320 1 123 123 VAL . 18320 1 124 124 LEU . 18320 1 125 125 ARG . 18320 1 126 126 ARG . 18320 1 127 127 ARG . 18320 1 128 128 ILE . 18320 1 129 129 ILE . 18320 1 130 130 SER . 18320 1 131 131 LYS . 18320 1 132 132 GLY . 18320 1 133 133 GLU . 18320 1 134 134 LEU . 18320 1 135 135 GLU . 18320 1 136 136 PHE . 18320 1 137 137 HIS . 18320 1 138 138 GLU . 18320 1 139 139 VAL . 18320 1 140 140 SER . 18320 1 141 141 SER . 18320 1 142 142 VAL . 18320 1 143 143 ARG . 18320 1 144 144 ILE . 18320 1 145 145 ILE . 18320 1 146 146 ASP . 18320 1 147 147 TYR . 18320 1 148 148 ASN . 18320 1 149 149 ASN . 18320 1 150 150 TRP . 18320 1 151 151 VAL . 18320 1 152 152 TYR . 18320 1 153 153 ASP . 18320 1 154 154 LEU . 18320 1 155 155 VAL . 18320 1 156 156 ILE . 18320 1 157 157 PRO . 18320 1 158 158 GLU . 18320 1 159 159 THR . 18320 1 160 160 HIS . 18320 1 161 161 ASN . 18320 1 162 162 PHE . 18320 1 163 163 ILE . 18320 1 164 164 ALA . 18320 1 165 165 PRO . 18320 1 166 166 ASN . 18320 1 167 167 GLY . 18320 1 168 168 LEU . 18320 1 169 169 VAL . 18320 1 170 170 LEU . 18320 1 171 171 HIS . 18320 1 172 172 ASN . 18320 1 173 173 ALA . 18320 1 174 174 GLN . 18320 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 18320 1 . PHE 2 2 18320 1 . ALA 3 3 18320 1 . ARG 4 4 18320 1 . ASP 5 5 18320 1 . THR 6 6 18320 1 . GLU 7 7 18320 1 . VAL 8 8 18320 1 . TYR 9 9 18320 1 . TYR 10 10 18320 1 . GLU 11 11 18320 1 . ASN 12 12 18320 1 . ASP 13 13 18320 1 . THR 14 14 18320 1 . VAL 15 15 18320 1 . PRO 16 16 18320 1 . HIS 17 17 18320 1 . MET 18 18 18320 1 . GLU 19 19 18320 1 . SER 20 20 18320 1 . ILE 21 21 18320 1 . GLU 22 22 18320 1 . GLU 23 23 18320 1 . MET 24 24 18320 1 . TYR 25 25 18320 1 . SER 26 26 18320 1 . LYS 27 27 18320 1 . TYR 28 28 18320 1 . ALA 29 29 18320 1 . SER 30 30 18320 1 . MET 31 31 18320 1 . ASN 32 32 18320 1 . GLY 33 33 18320 1 . GLU 34 34 18320 1 . LEU 35 35 18320 1 . PRO 36 36 18320 1 . PHE 37 37 18320 1 . ASP 38 38 18320 1 . ASN 39 39 18320 1 . GLY 40 40 18320 1 . TYR 41 41 18320 1 . ALA 42 42 18320 1 . VAL 43 43 18320 1 . PRO 44 44 18320 1 . LEU 45 45 18320 1 . ASP 46 46 18320 1 . ASN 47 47 18320 1 . VAL 48 48 18320 1 . PHE 49 49 18320 1 . VAL 50 50 18320 1 . TYR 51 51 18320 1 . THR 52 52 18320 1 . LEU 53 53 18320 1 . ASP 54 54 18320 1 . ILE 55 55 18320 1 . ALA 56 56 18320 1 . SER 57 57 18320 1 . GLY 58 58 18320 1 . GLU 59 59 18320 1 . ILE 60 60 18320 1 . LYS 61 61 18320 1 . LYS 62 62 18320 1 . THR 63 63 18320 1 . ARG 64 64 18320 1 . ALA 65 65 18320 1 . SER 66 66 18320 1 . TYR 67 67 18320 1 . ILE 68 68 18320 1 . TYR 69 69 18320 1 . ARG 70 70 18320 1 . GLU 71 71 18320 1 . LYS 72 72 18320 1 . VAL 73 73 18320 1 . GLU 74 74 18320 1 . LYS 75 75 18320 1 . LEU 76 76 18320 1 . ILE 77 77 18320 1 . GLU 78 78 18320 1 . ILE 79 79 18320 1 . LYS 80 80 18320 1 . LEU 81 81 18320 1 . SER 82 82 18320 1 . SER 83 83 18320 1 . GLY 84 84 18320 1 . TYR 85 85 18320 1 . SER 86 86 18320 1 . LEU 87 87 18320 1 . LYS 88 88 18320 1 . VAL 89 89 18320 1 . THR 90 90 18320 1 . PRO 91 91 18320 1 . SER 92 92 18320 1 . HIS 93 93 18320 1 . PRO 94 94 18320 1 . VAL 95 95 18320 1 . LEU 96 96 18320 1 . LEU 97 97 18320 1 . PHE 98 98 18320 1 . ARG 99 99 18320 1 . ASP 100 100 18320 1 . GLY 101 101 18320 1 . LEU 102 102 18320 1 . GLN 103 103 18320 1 . TRP 104 104 18320 1 . VAL 105 105 18320 1 . PRO 106 106 18320 1 . ALA 107 107 18320 1 . ALA 108 108 18320 1 . GLU 109 109 18320 1 . VAL 110 110 18320 1 . LYS 111 111 18320 1 . PRO 112 112 18320 1 . GLY 113 113 18320 1 . ASP 114 114 18320 1 . VAL 115 115 18320 1 . VAL 116 116 18320 1 . VAL 117 117 18320 1 . GLY 118 118 18320 1 . VAL 119 119 18320 1 . ARG 120 120 18320 1 . GLU 121 121 18320 1 . GLU 122 122 18320 1 . VAL 123 123 18320 1 . LEU 124 124 18320 1 . ARG 125 125 18320 1 . ARG 126 126 18320 1 . ARG 127 127 18320 1 . ILE 128 128 18320 1 . ILE 129 129 18320 1 . SER 130 130 18320 1 . LYS 131 131 18320 1 . GLY 132 132 18320 1 . GLU 133 133 18320 1 . LEU 134 134 18320 1 . GLU 135 135 18320 1 . PHE 136 136 18320 1 . HIS 137 137 18320 1 . GLU 138 138 18320 1 . VAL 139 139 18320 1 . SER 140 140 18320 1 . SER 141 141 18320 1 . VAL 142 142 18320 1 . ARG 143 143 18320 1 . ILE 144 144 18320 1 . ILE 145 145 18320 1 . ASP 146 146 18320 1 . TYR 147 147 18320 1 . ASN 148 148 18320 1 . ASN 149 149 18320 1 . TRP 150 150 18320 1 . VAL 151 151 18320 1 . TYR 152 152 18320 1 . ASP 153 153 18320 1 . LEU 154 154 18320 1 . VAL 155 155 18320 1 . ILE 156 156 18320 1 . PRO 157 157 18320 1 . GLU 158 158 18320 1 . THR 159 159 18320 1 . HIS 160 160 18320 1 . ASN 161 161 18320 1 . PHE 162 162 18320 1 . ILE 163 163 18320 1 . ALA 164 164 18320 1 . PRO 165 165 18320 1 . ASN 166 166 18320 1 . GLY 167 167 18320 1 . LEU 168 168 18320 1 . VAL 169 169 18320 1 . LEU 170 170 18320 1 . HIS 171 171 18320 1 . ASN 172 172 18320 1 . ALA 173 173 18320 1 . GLN 174 174 18320 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 18320 _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 $PhoRadA_intein . 70601 organism . 'Pyrococcus horikoshii OT3' euryarchaeotes . . Archaea . Pyrococcus 'Pyrococcus horikoshii' . . . . . . . . . . . . . . . . 'DNA repair and recombination protein RadA' . . . . 18320 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 18320 _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 $PhoRadA_intein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli ER2566 . . . . . . . . . . . . . . . pKRRSF15 . . . . . . 18320 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18320 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PhoRadA intein' '[U-99% 13C; U-99% 15N]' . . 1 $PhoRadA_intein . . 0.4 . . mM . . . . 18320 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18320 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18320 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18320 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18320 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . pH 18320 1 pressure 1 . atm 18320 1 temperature 303 . K 18320 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18320 _Software.ID 1 _Software.Name AMBER _Software.Version 11 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 18320 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18320 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18320 _Software.ID 2 _Software.Name VNMRJ _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18320 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18320 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18320 _Software.ID 3 _Software.Name NMRPipe _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18320 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18320 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18320 _Software.ID 4 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18320 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18320 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18320 _Software.ID 5 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18320 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18320 5 stop_ save_ save_CING _Software.Sf_category software _Software.Sf_framecode CING _Software.Entry_ID 18320 _Software.ID 6 _Software.Name CING _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Geerten W. Vuister' . . 18320 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure validation' 18320 6 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 18320 _Software.ID 7 _Software.Name CcpNMR _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18320 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18320 7 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18320 _Software.ID 8 _Software.Name TALOS _Software.Version TALOS+ _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18320 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18320 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18320 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18320 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18320 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 18320 1 2 spectrometer_2 Varian INOVA . 600 . . . 18320 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18320 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18320 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18320 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18320 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18320 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18320 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18320 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18320 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18320 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18320 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18320 1 11 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18320 1 12 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18320 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18320 1 14 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18320 1 15 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18320 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18320 1 17 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18320 1 18 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18320 1 19 intraHNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18320 1 20 HBCBCGCDHD no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18320 1 21 HBCBCGCDCEHE no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18320 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 18320 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 internal direct 1 other . . . . . . . . 18320 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18320 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.04 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18320 1 9 '3D HNCACB' . . . 18320 1 17 '3D HCCH-COSY' . . . 18320 1 18 '3D HCCH-TOCSY' . . . 18320 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.373 0.002 . 1 . . . A 1 ALA HA . 18320 1 2 . 1 1 1 1 ALA HB1 H 1 1.405 0.002 . 1 . . . A 1 ALA HB1 . 18320 1 3 . 1 1 1 1 ALA HB2 H 1 1.405 0.002 . 1 . . . A 1 ALA HB2 . 18320 1 4 . 1 1 1 1 ALA HB3 H 1 1.405 0.002 . 1 . . . A 1 ALA HB3 . 18320 1 5 . 1 1 1 1 ALA C C 13 173.459 0.300 . 1 . . . A 1 ALA C . 18320 1 6 . 1 1 1 1 ALA CA C 13 52.029 0.300 . 1 . . . A 1 ALA CA . 18320 1 7 . 1 1 1 1 ALA CB C 13 20.981 0.300 . 1 . . . A 1 ALA CB . 18320 1 8 . 1 1 2 2 PHE H H 1 9.028 0.002 . 1 . . . A 2 PHE H . 18320 1 9 . 1 1 2 2 PHE HA H 1 5.594 0.002 . 1 . . . A 2 PHE HA . 18320 1 10 . 1 1 2 2 PHE HB2 H 1 3.489 0.002 . 2 . . . A 2 PHE HB2 . 18320 1 11 . 1 1 2 2 PHE HB3 H 1 2.933 0.002 . 2 . . . A 2 PHE HB3 . 18320 1 12 . 1 1 2 2 PHE HD1 H 1 7.436 0.002 . 3 . . . A 2 PHE HD1 . 18320 1 13 . 1 1 2 2 PHE HD2 H 1 7.436 0.002 . 3 . . . A 2 PHE HD2 . 18320 1 14 . 1 1 2 2 PHE HE1 H 1 7.246 0.002 . 3 . . . A 2 PHE HE1 . 18320 1 15 . 1 1 2 2 PHE HE2 H 1 7.246 0.002 . 3 . . . A 2 PHE HE2 . 18320 1 16 . 1 1 2 2 PHE C C 13 176.334 0.300 . 1 . . . A 2 PHE C . 18320 1 17 . 1 1 2 2 PHE CA C 13 54.534 0.300 . 1 . . . A 2 PHE CA . 18320 1 18 . 1 1 2 2 PHE CB C 13 42.569 0.300 . 1 . . . A 2 PHE CB . 18320 1 19 . 1 1 2 2 PHE CD2 C 13 133.313 0.300 . 3 . . . A 2 PHE CD2 . 18320 1 20 . 1 1 2 2 PHE CE2 C 13 132.339 0.300 . 3 . . . A 2 PHE CE2 . 18320 1 21 . 1 1 2 2 PHE N N 15 115.803 0.300 . 1 . . . A 2 PHE N . 18320 1 22 . 1 1 3 3 ALA H H 1 8.153 0.002 . 1 . . . A 3 ALA H . 18320 1 23 . 1 1 3 3 ALA HA H 1 4.203 0.002 . 1 . . . A 3 ALA HA . 18320 1 24 . 1 1 3 3 ALA HB1 H 1 1.520 0.002 . 1 . . . A 3 ALA HB1 . 18320 1 25 . 1 1 3 3 ALA HB2 H 1 1.520 0.002 . 1 . . . A 3 ALA HB2 . 18320 1 26 . 1 1 3 3 ALA HB3 H 1 1.520 0.002 . 1 . . . A 3 ALA HB3 . 18320 1 27 . 1 1 3 3 ALA C C 13 179.467 0.300 . 1 . . . A 3 ALA C . 18320 1 28 . 1 1 3 3 ALA CA C 13 53.158 0.300 . 1 . . . A 3 ALA CA . 18320 1 29 . 1 1 3 3 ALA CB C 13 21.790 0.300 . 1 . . . A 3 ALA CB . 18320 1 30 . 1 1 3 3 ALA N N 15 117.936 0.300 . 1 . . . A 3 ALA N . 18320 1 31 . 1 1 4 4 ARG H H 1 8.087 0.002 . 1 . . . A 4 ARG H . 18320 1 32 . 1 1 4 4 ARG HA H 1 4.126 0.002 . 1 . . . A 4 ARG HA . 18320 1 33 . 1 1 4 4 ARG HB2 H 1 2.200 0.002 . 2 . . . A 4 ARG HB2 . 18320 1 34 . 1 1 4 4 ARG HB3 H 1 2.096 0.002 . 2 . . . A 4 ARG HB3 . 18320 1 35 . 1 1 4 4 ARG HG2 H 1 1.560 0.002 . 2 . . . A 4 ARG HG2 . 18320 1 36 . 1 1 4 4 ARG HG3 H 1 2.040 0.002 . 2 . . . A 4 ARG HG3 . 18320 1 37 . 1 1 4 4 ARG HD2 H 1 3.310 0.002 . 2 . . . A 4 ARG HD2 . 18320 1 38 . 1 1 4 4 ARG HD3 H 1 3.229 0.002 . 2 . . . A 4 ARG HD3 . 18320 1 39 . 1 1 4 4 ARG C C 13 172.291 0.300 . 1 . . . A 4 ARG C . 18320 1 40 . 1 1 4 4 ARG CA C 13 58.125 0.300 . 1 . . . A 4 ARG CA . 18320 1 41 . 1 1 4 4 ARG CB C 13 31.551 0.300 . 1 . . . A 4 ARG CB . 18320 1 42 . 1 1 4 4 ARG CG C 13 26.066 0.300 . 1 . . . A 4 ARG CG . 18320 1 43 . 1 1 4 4 ARG CD C 13 43.625 0.300 . 1 . . . A 4 ARG CD . 18320 1 44 . 1 1 4 4 ARG N N 15 117.304 0.300 . 1 . . . A 4 ARG N . 18320 1 45 . 1 1 5 5 ASP H H 1 8.575 0.002 . 1 . . . A 5 ASP H . 18320 1 46 . 1 1 5 5 ASP HA H 1 4.624 0.002 . 1 . . . A 5 ASP HA . 18320 1 47 . 1 1 5 5 ASP HB2 H 1 2.978 0.002 . 2 . . . A 5 ASP HB2 . 18320 1 48 . 1 1 5 5 ASP HB3 H 1 2.544 0.002 . 2 . . . A 5 ASP HB3 . 18320 1 49 . 1 1 5 5 ASP C C 13 176.340 0.300 . 1 . . . A 5 ASP C . 18320 1 50 . 1 1 5 5 ASP CA C 13 52.670 0.300 . 1 . . . A 5 ASP CA . 18320 1 51 . 1 1 5 5 ASP CB C 13 39.353 0.300 . 1 . . . A 5 ASP CB . 18320 1 52 . 1 1 5 5 ASP N N 15 114.648 0.300 . 1 . . . A 5 ASP N . 18320 1 53 . 1 1 6 6 THR H H 1 7.839 0.002 . 1 . . . A 6 THR H . 18320 1 54 . 1 1 6 6 THR HA H 1 3.892 0.002 . 1 . . . A 6 THR HA . 18320 1 55 . 1 1 6 6 THR HB H 1 4.110 0.002 . 1 . . . A 6 THR HB . 18320 1 56 . 1 1 6 6 THR HG21 H 1 0.831 0.002 . 1 . . . A 6 THR HG21 . 18320 1 57 . 1 1 6 6 THR HG22 H 1 0.831 0.002 . 1 . . . A 6 THR HG22 . 18320 1 58 . 1 1 6 6 THR HG23 H 1 0.831 0.002 . 1 . . . A 6 THR HG23 . 18320 1 59 . 1 1 6 6 THR C C 13 173.480 0.300 . 1 . . . A 6 THR C . 18320 1 60 . 1 1 6 6 THR CA C 13 64.915 0.300 . 1 . . . A 6 THR CA . 18320 1 61 . 1 1 6 6 THR CB C 13 69.832 0.300 . 1 . . . A 6 THR CB . 18320 1 62 . 1 1 6 6 THR CG2 C 13 19.836 0.300 . 1 . . . A 6 THR CG2 . 18320 1 63 . 1 1 6 6 THR N N 15 119.375 0.300 . 1 . . . A 6 THR N . 18320 1 64 . 1 1 7 7 GLU H H 1 8.486 0.002 . 1 . . . A 7 GLU H . 18320 1 65 . 1 1 7 7 GLU HA H 1 4.365 0.002 . 1 . . . A 7 GLU HA . 18320 1 66 . 1 1 7 7 GLU HB2 H 1 1.883 0.002 . 2 . . . A 7 GLU HB2 . 18320 1 67 . 1 1 7 7 GLU HB3 H 1 1.883 0.002 . 2 . . . A 7 GLU HB3 . 18320 1 68 . 1 1 7 7 GLU HG2 H 1 2.267 0.002 . 2 . . . A 7 GLU HG2 . 18320 1 69 . 1 1 7 7 GLU HG3 H 1 1.993 0.002 . 2 . . . A 7 GLU HG3 . 18320 1 70 . 1 1 7 7 GLU C C 13 175.101 0.300 . 1 . . . A 7 GLU C . 18320 1 71 . 1 1 7 7 GLU CA C 13 56.940 0.300 . 1 . . . A 7 GLU CA . 18320 1 72 . 1 1 7 7 GLU CB C 13 30.968 0.300 . 1 . . . A 7 GLU CB . 18320 1 73 . 1 1 7 7 GLU CG C 13 37.135 0.300 . 1 . . . A 7 GLU CG . 18320 1 74 . 1 1 7 7 GLU N N 15 129.415 0.300 . 1 . . . A 7 GLU N . 18320 1 75 . 1 1 8 8 VAL H H 1 8.822 0.002 . 1 . . . A 8 VAL H . 18320 1 76 . 1 1 8 8 VAL HA H 1 4.591 0.002 . 1 . . . A 8 VAL HA . 18320 1 77 . 1 1 8 8 VAL HB H 1 1.969 0.002 . 1 . . . A 8 VAL HB . 18320 1 78 . 1 1 8 8 VAL HG11 H 1 0.881 0.002 . 2 . . . A 8 VAL HG11 . 18320 1 79 . 1 1 8 8 VAL HG12 H 1 0.881 0.002 . 2 . . . A 8 VAL HG12 . 18320 1 80 . 1 1 8 8 VAL HG13 H 1 0.881 0.002 . 2 . . . A 8 VAL HG13 . 18320 1 81 . 1 1 8 8 VAL HG21 H 1 0.833 0.002 . 2 . . . A 8 VAL HG21 . 18320 1 82 . 1 1 8 8 VAL HG22 H 1 0.833 0.002 . 2 . . . A 8 VAL HG22 . 18320 1 83 . 1 1 8 8 VAL HG23 H 1 0.833 0.002 . 2 . . . A 8 VAL HG23 . 18320 1 84 . 1 1 8 8 VAL C C 13 173.395 0.300 . 1 . . . A 8 VAL C . 18320 1 85 . 1 1 8 8 VAL CA C 13 60.165 0.300 . 1 . . . A 8 VAL CA . 18320 1 86 . 1 1 8 8 VAL CB C 13 35.368 0.300 . 1 . . . A 8 VAL CB . 18320 1 87 . 1 1 8 8 VAL CG1 C 13 19.286 0.300 . 2 . . . A 8 VAL CG1 . 18320 1 88 . 1 1 8 8 VAL CG2 C 13 22.257 0.300 . 2 . . . A 8 VAL CG2 . 18320 1 89 . 1 1 8 8 VAL N N 15 115.414 0.300 . 1 . . . A 8 VAL N . 18320 1 90 . 1 1 9 9 TYR H H 1 7.022 0.002 . 1 . . . A 9 TYR H . 18320 1 91 . 1 1 9 9 TYR HA H 1 5.606 0.002 . 1 . . . A 9 TYR HA . 18320 1 92 . 1 1 9 9 TYR HB2 H 1 2.586 0.002 . 2 . . . A 9 TYR HB2 . 18320 1 93 . 1 1 9 9 TYR HB3 H 1 3.246 0.002 . 2 . . . A 9 TYR HB3 . 18320 1 94 . 1 1 9 9 TYR HD1 H 1 7.185 0.002 . 3 . . . A 9 TYR HD1 . 18320 1 95 . 1 1 9 9 TYR HD2 H 1 7.185 0.002 . 3 . . . A 9 TYR HD2 . 18320 1 96 . 1 1 9 9 TYR C C 13 174.443 0.300 . 1 . . . A 9 TYR C . 18320 1 97 . 1 1 9 9 TYR CA C 13 56.104 0.300 . 1 . . . A 9 TYR CA . 18320 1 98 . 1 1 9 9 TYR CB C 13 41.601 0.300 . 1 . . . A 9 TYR CB . 18320 1 99 . 1 1 9 9 TYR N N 15 120.860 0.300 . 1 . . . A 9 TYR N . 18320 1 100 . 1 1 10 10 TYR H H 1 8.238 0.002 . 1 . . . A 10 TYR H . 18320 1 101 . 1 1 10 10 TYR HA H 1 5.107 0.002 . 1 . . . A 10 TYR HA . 18320 1 102 . 1 1 10 10 TYR HB2 H 1 2.837 0.002 . 2 . . . A 10 TYR HB2 . 18320 1 103 . 1 1 10 10 TYR HB3 H 1 2.620 0.002 . 2 . . . A 10 TYR HB3 . 18320 1 104 . 1 1 10 10 TYR HD1 H 1 6.648 0.002 . 3 . . . A 10 TYR HD1 . 18320 1 105 . 1 1 10 10 TYR HD2 H 1 6.648 0.002 . 3 . . . A 10 TYR HD2 . 18320 1 106 . 1 1 10 10 TYR HE1 H 1 6.449 0.002 . 3 . . . A 10 TYR HE1 . 18320 1 107 . 1 1 10 10 TYR HE2 H 1 6.449 0.002 . 3 . . . A 10 TYR HE2 . 18320 1 108 . 1 1 10 10 TYR C C 13 171.645 0.300 . 1 . . . A 10 TYR C . 18320 1 109 . 1 1 10 10 TYR CA C 13 55.883 0.300 . 1 . . . A 10 TYR CA . 18320 1 110 . 1 1 10 10 TYR CB C 13 39.757 0.300 . 1 . . . A 10 TYR CB . 18320 1 111 . 1 1 10 10 TYR CE2 C 13 117.653 0.300 . 3 . . . A 10 TYR CE2 . 18320 1 112 . 1 1 10 10 TYR N N 15 123.826 0.300 . 1 . . . A 10 TYR N . 18320 1 113 . 1 1 11 11 GLU H H 1 9.475 0.002 . 1 . . . A 11 GLU H . 18320 1 114 . 1 1 11 11 GLU HA H 1 5.202 0.002 . 1 . . . A 11 GLU HA . 18320 1 115 . 1 1 11 11 GLU HB2 H 1 1.805 0.002 . 2 . . . A 11 GLU HB2 . 18320 1 116 . 1 1 11 11 GLU HB3 H 1 1.638 0.002 . 2 . . . A 11 GLU HB3 . 18320 1 117 . 1 1 11 11 GLU HG2 H 1 2.092 0.002 . 2 . . . A 11 GLU HG2 . 18320 1 118 . 1 1 11 11 GLU HG3 H 1 1.871 0.002 . 2 . . . A 11 GLU HG3 . 18320 1 119 . 1 1 11 11 GLU C C 13 175.621 0.300 . 1 . . . A 11 GLU C . 18320 1 120 . 1 1 11 11 GLU CA C 13 53.583 0.300 . 1 . . . A 11 GLU CA . 18320 1 121 . 1 1 11 11 GLU CB C 13 33.741 0.300 . 1 . . . A 11 GLU CB . 18320 1 122 . 1 1 11 11 GLU CG C 13 35.772 0.300 . 1 . . . A 11 GLU CG . 18320 1 123 . 1 1 11 11 GLU N N 15 117.049 0.300 . 1 . . . A 11 GLU N . 18320 1 124 . 1 1 12 12 ASN H H 1 8.557 0.002 . 1 . . . A 12 ASN H . 18320 1 125 . 1 1 12 12 ASN HA H 1 5.083 0.002 . 1 . . . A 12 ASN HA . 18320 1 126 . 1 1 12 12 ASN HB2 H 1 3.199 0.002 . 2 . . . A 12 ASN HB2 . 18320 1 127 . 1 1 12 12 ASN HB3 H 1 2.689 0.002 . 2 . . . A 12 ASN HB3 . 18320 1 128 . 1 1 12 12 ASN HD21 H 1 7.574 0.002 . 2 . . . A 12 ASN HD21 . 18320 1 129 . 1 1 12 12 ASN HD22 H 1 6.790 0.002 . 2 . . . A 12 ASN HD22 . 18320 1 130 . 1 1 12 12 ASN C C 13 178.865 0.300 . 1 . . . A 12 ASN C . 18320 1 131 . 1 1 12 12 ASN CA C 13 54.681 0.300 . 1 . . . A 12 ASN CA . 18320 1 132 . 1 1 12 12 ASN CB C 13 42.562 0.300 . 1 . . . A 12 ASN CB . 18320 1 133 . 1 1 12 12 ASN N N 15 124.309 0.300 . 1 . . . A 12 ASN N . 18320 1 134 . 1 1 12 12 ASN ND2 N 15 111.017 0.300 . 1 . . . A 12 ASN ND2 . 18320 1 135 . 1 1 13 13 ASP H H 1 9.156 0.002 . 1 . . . A 13 ASP H . 18320 1 136 . 1 1 13 13 ASP HA H 1 4.196 0.002 . 1 . . . A 13 ASP HA . 18320 1 137 . 1 1 13 13 ASP HB2 H 1 2.563 0.002 . 2 . . . A 13 ASP HB2 . 18320 1 138 . 1 1 13 13 ASP HB3 H 1 2.742 0.002 . 2 . . . A 13 ASP HB3 . 18320 1 139 . 1 1 13 13 ASP CA C 13 53.719 0.300 . 1 . . . A 13 ASP CA . 18320 1 140 . 1 1 13 13 ASP CB C 13 40.520 0.300 . 1 . . . A 13 ASP CB . 18320 1 141 . 1 1 13 13 ASP N N 15 118.202 0.300 . 1 . . . A 13 ASP N . 18320 1 142 . 1 1 14 14 THR HA H 1 4.447 0.002 . 1 . . . A 14 THR HA . 18320 1 143 . 1 1 14 14 THR HB H 1 4.109 0.002 . 1 . . . A 14 THR HB . 18320 1 144 . 1 1 14 14 THR HG21 H 1 1.027 0.002 . 1 . . . A 14 THR HG21 . 18320 1 145 . 1 1 14 14 THR HG22 H 1 1.027 0.002 . 1 . . . A 14 THR HG22 . 18320 1 146 . 1 1 14 14 THR HG23 H 1 1.027 0.002 . 1 . . . A 14 THR HG23 . 18320 1 147 . 1 1 14 14 THR C C 13 173.920 0.300 . 1 . . . A 14 THR C . 18320 1 148 . 1 1 14 14 THR CA C 13 61.183 0.300 . 1 . . . A 14 THR CA . 18320 1 149 . 1 1 14 14 THR CB C 13 70.379 0.300 . 1 . . . A 14 THR CB . 18320 1 150 . 1 1 14 14 THR CG2 C 13 22.213 0.300 . 1 . . . A 14 THR CG2 . 18320 1 151 . 1 1 15 15 VAL H H 1 8.813 0.002 . 1 . . . A 15 VAL H . 18320 1 152 . 1 1 15 15 VAL HA H 1 4.418 0.002 . 1 . . . A 15 VAL HA . 18320 1 153 . 1 1 15 15 VAL HB H 1 2.065 0.002 . 1 . . . A 15 VAL HB . 18320 1 154 . 1 1 15 15 VAL HG11 H 1 0.829 0.002 . 2 . . . A 15 VAL HG11 . 18320 1 155 . 1 1 15 15 VAL HG12 H 1 0.829 0.002 . 2 . . . A 15 VAL HG12 . 18320 1 156 . 1 1 15 15 VAL HG13 H 1 0.829 0.002 . 2 . . . A 15 VAL HG13 . 18320 1 157 . 1 1 15 15 VAL HG21 H 1 0.688 0.002 . 2 . . . A 15 VAL HG21 . 18320 1 158 . 1 1 15 15 VAL HG22 H 1 0.688 0.002 . 2 . . . A 15 VAL HG22 . 18320 1 159 . 1 1 15 15 VAL HG23 H 1 0.688 0.002 . 2 . . . A 15 VAL HG23 . 18320 1 160 . 1 1 15 15 VAL C C 13 173.932 0.300 . 1 . . . A 15 VAL C . 18320 1 161 . 1 1 15 15 VAL CA C 13 59.552 0.300 . 1 . . . A 15 VAL CA . 18320 1 162 . 1 1 15 15 VAL CB C 13 33.700 0.300 . 1 . . . A 15 VAL CB . 18320 1 163 . 1 1 15 15 VAL CG1 C 13 20.819 0.300 . 2 . . . A 15 VAL CG1 . 18320 1 164 . 1 1 15 15 VAL CG2 C 13 20.983 0.300 . 2 . . . A 15 VAL CG2 . 18320 1 165 . 1 1 15 15 VAL N N 15 123.244 0.300 . 1 . . . A 15 VAL N . 18320 1 166 . 1 1 16 16 PRO HA H 1 4.415 0.002 . 1 . . . A 16 PRO HA . 18320 1 167 . 1 1 16 16 PRO HB2 H 1 2.275 0.002 . 2 . . . A 16 PRO HB2 . 18320 1 168 . 1 1 16 16 PRO HB3 H 1 1.644 0.002 . 2 . . . A 16 PRO HB3 . 18320 1 169 . 1 1 16 16 PRO HG2 H 1 1.926 0.002 . 2 . . . A 16 PRO HG2 . 18320 1 170 . 1 1 16 16 PRO HG3 H 1 1.846 0.002 . 2 . . . A 16 PRO HG3 . 18320 1 171 . 1 1 16 16 PRO HD2 H 1 3.704 0.002 . 2 . . . A 16 PRO HD2 . 18320 1 172 . 1 1 16 16 PRO HD3 H 1 3.552 0.002 . 2 . . . A 16 PRO HD3 . 18320 1 173 . 1 1 16 16 PRO C C 13 175.734 0.300 . 1 . . . A 16 PRO C . 18320 1 174 . 1 1 16 16 PRO CA C 13 62.178 0.300 . 1 . . . A 16 PRO CA . 18320 1 175 . 1 1 16 16 PRO CB C 13 33.102 0.300 . 1 . . . A 16 PRO CB . 18320 1 176 . 1 1 16 16 PRO CG C 13 27.062 0.300 . 1 . . . A 16 PRO CG . 18320 1 177 . 1 1 16 16 PRO CD C 13 51.003 0.300 . 1 . . . A 16 PRO CD . 18320 1 178 . 1 1 17 17 HIS H H 1 8.403 0.002 . 1 . . . A 17 HIS H . 18320 1 179 . 1 1 17 17 HIS HA H 1 4.254 0.002 . 1 . . . A 17 HIS HA . 18320 1 180 . 1 1 17 17 HIS HB2 H 1 2.139 0.002 . 2 . . . A 17 HIS HB2 . 18320 1 181 . 1 1 17 17 HIS HB3 H 1 1.152 0.002 . 2 . . . A 17 HIS HB3 . 18320 1 182 . 1 1 17 17 HIS HD2 H 1 6.693 0.002 . 1 . . . A 17 HIS HD2 . 18320 1 183 . 1 1 17 17 HIS C C 13 172.199 0.300 . 1 . . . A 17 HIS C . 18320 1 184 . 1 1 17 17 HIS CA C 13 54.860 0.300 . 1 . . . A 17 HIS CA . 18320 1 185 . 1 1 17 17 HIS CB C 13 31.029 0.300 . 1 . . . A 17 HIS CB . 18320 1 186 . 1 1 17 17 HIS CD2 C 13 117.629 0.300 . 1 . . . A 17 HIS CD2 . 18320 1 187 . 1 1 17 17 HIS N N 15 118.014 0.300 . 1 . . . A 17 HIS N . 18320 1 188 . 1 1 18 18 MET H H 1 8.018 0.002 . 1 . . . A 18 MET H . 18320 1 189 . 1 1 18 18 MET HA H 1 5.456 0.002 . 1 . . . A 18 MET HA . 18320 1 190 . 1 1 18 18 MET HB2 H 1 2.039 0.002 . 2 . . . A 18 MET HB2 . 18320 1 191 . 1 1 18 18 MET HB3 H 1 1.965 0.002 . 2 . . . A 18 MET HB3 . 18320 1 192 . 1 1 18 18 MET HG2 H 1 2.536 0.002 . 2 . . . A 18 MET HG2 . 18320 1 193 . 1 1 18 18 MET HG3 H 1 2.536 0.002 . 2 . . . A 18 MET HG3 . 18320 1 194 . 1 1 18 18 MET HE1 H 1 2.030 0.002 . 1 . . . A 18 MET HE1 . 18320 1 195 . 1 1 18 18 MET HE2 H 1 2.030 0.002 . 1 . . . A 18 MET HE2 . 18320 1 196 . 1 1 18 18 MET HE3 H 1 2.030 0.002 . 1 . . . A 18 MET HE3 . 18320 1 197 . 1 1 18 18 MET C C 13 174.777 0.300 . 1 . . . A 18 MET C . 18320 1 198 . 1 1 18 18 MET CA C 13 55.153 0.300 . 1 . . . A 18 MET CA . 18320 1 199 . 1 1 18 18 MET CB C 13 34.844 0.300 . 1 . . . A 18 MET CB . 18320 1 200 . 1 1 18 18 MET CG C 13 32.957 0.300 . 1 . . . A 18 MET CG . 18320 1 201 . 1 1 18 18 MET CE C 13 17.439 0.300 . 1 . . . A 18 MET CE . 18320 1 202 . 1 1 18 18 MET N N 15 120.500 0.300 . 1 . . . A 18 MET N . 18320 1 203 . 1 1 19 19 GLU H H 1 8.171 0.002 . 1 . . . A 19 GLU H . 18320 1 204 . 1 1 19 19 GLU HA H 1 4.818 0.002 . 1 . . . A 19 GLU HA . 18320 1 205 . 1 1 19 19 GLU HB2 H 1 2.393 0.002 . 2 . . . A 19 GLU HB2 . 18320 1 206 . 1 1 19 19 GLU HB3 H 1 1.945 0.002 . 2 . . . A 19 GLU HB3 . 18320 1 207 . 1 1 19 19 GLU HG2 H 1 2.297 0.002 . 2 . . . A 19 GLU HG2 . 18320 1 208 . 1 1 19 19 GLU HG3 H 1 1.993 0.002 . 2 . . . A 19 GLU HG3 . 18320 1 209 . 1 1 19 19 GLU C C 13 174.613 0.300 . 1 . . . A 19 GLU C . 18320 1 210 . 1 1 19 19 GLU CA C 13 54.070 0.300 . 1 . . . A 19 GLU CA . 18320 1 211 . 1 1 19 19 GLU CB C 13 31.905 0.300 . 1 . . . A 19 GLU CB . 18320 1 212 . 1 1 19 19 GLU CG C 13 33.787 0.300 . 1 . . . A 19 GLU CG . 18320 1 213 . 1 1 19 19 GLU N N 15 119.849 0.300 . 1 . . . A 19 GLU N . 18320 1 214 . 1 1 20 20 SER H H 1 8.758 0.002 . 1 . . . A 20 SER H . 18320 1 215 . 1 1 20 20 SER HA H 1 4.633 0.002 . 1 . . . A 20 SER HA . 18320 1 216 . 1 1 20 20 SER HB2 H 1 4.307 0.002 . 2 . . . A 20 SER HB2 . 18320 1 217 . 1 1 20 20 SER HB3 H 1 4.056 0.002 . 2 . . . A 20 SER HB3 . 18320 1 218 . 1 1 20 20 SER C C 13 176.247 0.300 . 1 . . . A 20 SER C . 18320 1 219 . 1 1 20 20 SER CA C 13 58.311 0.300 . 1 . . . A 20 SER CA . 18320 1 220 . 1 1 20 20 SER CB C 13 64.446 0.300 . 1 . . . A 20 SER CB . 18320 1 221 . 1 1 20 20 SER N N 15 115.550 0.300 . 1 . . . A 20 SER N . 18320 1 222 . 1 1 21 21 ILE H H 1 8.835 0.002 . 1 . . . A 21 ILE H . 18320 1 223 . 1 1 21 21 ILE HA H 1 4.077 0.002 . 1 . . . A 21 ILE HA . 18320 1 224 . 1 1 21 21 ILE HB H 1 1.785 0.002 . 1 . . . A 21 ILE HB . 18320 1 225 . 1 1 21 21 ILE HG12 H 1 1.365 0.002 . 2 . . . A 21 ILE HG12 . 18320 1 226 . 1 1 21 21 ILE HG13 H 1 1.165 0.002 . 2 . . . A 21 ILE HG13 . 18320 1 227 . 1 1 21 21 ILE HG21 H 1 0.803 0.002 . 1 . . . A 21 ILE HG21 . 18320 1 228 . 1 1 21 21 ILE HG22 H 1 0.803 0.002 . 1 . . . A 21 ILE HG22 . 18320 1 229 . 1 1 21 21 ILE HG23 H 1 0.803 0.002 . 1 . . . A 21 ILE HG23 . 18320 1 230 . 1 1 21 21 ILE HD11 H 1 1.008 0.002 . 1 . . . A 21 ILE HD11 . 18320 1 231 . 1 1 21 21 ILE HD12 H 1 1.008 0.002 . 1 . . . A 21 ILE HD12 . 18320 1 232 . 1 1 21 21 ILE HD13 H 1 1.008 0.002 . 1 . . . A 21 ILE HD13 . 18320 1 233 . 1 1 21 21 ILE C C 13 175.552 0.300 . 1 . . . A 21 ILE C . 18320 1 234 . 1 1 21 21 ILE CA C 13 60.815 0.300 . 1 . . . A 21 ILE CA . 18320 1 235 . 1 1 21 21 ILE CB C 13 38.198 0.300 . 1 . . . A 21 ILE CB . 18320 1 236 . 1 1 21 21 ILE CG1 C 13 28.218 0.300 . 1 . . . A 21 ILE CG1 . 18320 1 237 . 1 1 21 21 ILE CG2 C 13 19.252 0.300 . 1 . . . A 21 ILE CG2 . 18320 1 238 . 1 1 21 21 ILE CD1 C 13 15.932 0.300 . 1 . . . A 21 ILE CD1 . 18320 1 239 . 1 1 21 21 ILE N N 15 121.052 0.300 . 1 . . . A 21 ILE N . 18320 1 240 . 1 1 22 22 GLU H H 1 7.234 0.002 . 1 . . . A 22 GLU H . 18320 1 241 . 1 1 22 22 GLU HA H 1 3.592 0.002 . 1 . . . A 22 GLU HA . 18320 1 242 . 1 1 22 22 GLU HB2 H 1 1.972 0.002 . 2 . . . A 22 GLU HB2 . 18320 1 243 . 1 1 22 22 GLU HB3 H 1 1.735 0.002 . 2 . . . A 22 GLU HB3 . 18320 1 244 . 1 1 22 22 GLU HG2 H 1 2.181 0.002 . 2 . . . A 22 GLU HG2 . 18320 1 245 . 1 1 22 22 GLU HG3 H 1 2.124 0.002 . 2 . . . A 22 GLU HG3 . 18320 1 246 . 1 1 22 22 GLU C C 13 178.128 0.300 . 1 . . . A 22 GLU C . 18320 1 247 . 1 1 22 22 GLU CA C 13 59.058 0.300 . 1 . . . A 22 GLU CA . 18320 1 248 . 1 1 22 22 GLU CB C 13 29.760 0.300 . 1 . . . A 22 GLU CB . 18320 1 249 . 1 1 22 22 GLU CG C 13 35.353 0.300 . 1 . . . A 22 GLU CG . 18320 1 250 . 1 1 22 22 GLU N N 15 120.365 0.300 . 1 . . . A 22 GLU N . 18320 1 251 . 1 1 23 23 GLU H H 1 7.569 0.002 . 1 . . . A 23 GLU H . 18320 1 252 . 1 1 23 23 GLU HA H 1 3.969 0.002 . 1 . . . A 23 GLU HA . 18320 1 253 . 1 1 23 23 GLU HB2 H 1 2.182 0.002 . 2 . . . A 23 GLU HB2 . 18320 1 254 . 1 1 23 23 GLU HB3 H 1 1.955 0.002 . 2 . . . A 23 GLU HB3 . 18320 1 255 . 1 1 23 23 GLU HG2 H 1 2.195 0.002 . 2 . . . A 23 GLU HG2 . 18320 1 256 . 1 1 23 23 GLU HG3 H 1 2.195 0.002 . 2 . . . A 23 GLU HG3 . 18320 1 257 . 1 1 23 23 GLU C C 13 178.824 0.300 . 1 . . . A 23 GLU C . 18320 1 258 . 1 1 23 23 GLU CA C 13 59.207 0.300 . 1 . . . A 23 GLU CA . 18320 1 259 . 1 1 23 23 GLU CB C 13 29.233 0.300 . 1 . . . A 23 GLU CB . 18320 1 260 . 1 1 23 23 GLU CG C 13 36.998 0.300 . 1 . . . A 23 GLU CG . 18320 1 261 . 1 1 23 23 GLU N N 15 123.307 0.300 . 1 . . . A 23 GLU N . 18320 1 262 . 1 1 24 24 MET H H 1 8.068 0.002 . 1 . . . A 24 MET H . 18320 1 263 . 1 1 24 24 MET HA H 1 3.897 0.002 . 1 . . . A 24 MET HA . 18320 1 264 . 1 1 24 24 MET HB2 H 1 1.921 0.002 . 2 . . . A 24 MET HB2 . 18320 1 265 . 1 1 24 24 MET HB3 H 1 2.091 0.002 . 2 . . . A 24 MET HB3 . 18320 1 266 . 1 1 24 24 MET HG2 H 1 2.240 0.002 . 2 . . . A 24 MET HG2 . 18320 1 267 . 1 1 24 24 MET HG3 H 1 2.240 0.002 . 2 . . . A 24 MET HG3 . 18320 1 268 . 1 1 24 24 MET HE1 H 1 0.470 0.002 . 1 . . . A 24 MET HE1 . 18320 1 269 . 1 1 24 24 MET HE2 H 1 0.470 0.002 . 1 . . . A 24 MET HE2 . 18320 1 270 . 1 1 24 24 MET HE3 H 1 0.470 0.002 . 1 . . . A 24 MET HE3 . 18320 1 271 . 1 1 24 24 MET C C 13 177.832 0.300 . 1 . . . A 24 MET C . 18320 1 272 . 1 1 24 24 MET CA C 13 60.181 0.300 . 1 . . . A 24 MET CA . 18320 1 273 . 1 1 24 24 MET CB C 13 32.355 0.300 . 1 . . . A 24 MET CB . 18320 1 274 . 1 1 24 24 MET CG C 13 32.372 0.300 . 1 . . . A 24 MET CG . 18320 1 275 . 1 1 24 24 MET CE C 13 17.424 0.300 . 1 . . . A 24 MET CE . 18320 1 276 . 1 1 24 24 MET N N 15 122.370 0.300 . 1 . . . A 24 MET N . 18320 1 277 . 1 1 25 25 TYR H H 1 8.677 0.002 . 1 . . . A 25 TYR H . 18320 1 278 . 1 1 25 25 TYR HA H 1 3.698 0.002 . 1 . . . A 25 TYR HA . 18320 1 279 . 1 1 25 25 TYR HB2 H 1 3.179 0.002 . 2 . . . A 25 TYR HB2 . 18320 1 280 . 1 1 25 25 TYR HB3 H 1 2.787 0.002 . 2 . . . A 25 TYR HB3 . 18320 1 281 . 1 1 25 25 TYR HD1 H 1 6.845 0.002 . 3 . . . A 25 TYR HD1 . 18320 1 282 . 1 1 25 25 TYR HD2 H 1 6.845 0.002 . 3 . . . A 25 TYR HD2 . 18320 1 283 . 1 1 25 25 TYR HE1 H 1 6.692 0.002 . 3 . . . A 25 TYR HE1 . 18320 1 284 . 1 1 25 25 TYR HE2 H 1 6.692 0.002 . 3 . . . A 25 TYR HE2 . 18320 1 285 . 1 1 25 25 TYR C C 13 176.770 0.300 . 1 . . . A 25 TYR C . 18320 1 286 . 1 1 25 25 TYR CA C 13 62.577 0.300 . 1 . . . A 25 TYR CA . 18320 1 287 . 1 1 25 25 TYR CB C 13 39.512 0.300 . 1 . . . A 25 TYR CB . 18320 1 288 . 1 1 25 25 TYR CE1 C 13 118.043 0.300 . 3 . . . A 25 TYR CE1 . 18320 1 289 . 1 1 25 25 TYR N N 15 118.892 0.300 . 1 . . . A 25 TYR N . 18320 1 290 . 1 1 26 26 SER H H 1 8.145 0.002 . 1 . . . A 26 SER H . 18320 1 291 . 1 1 26 26 SER HA H 1 4.006 0.002 . 1 . . . A 26 SER HA . 18320 1 292 . 1 1 26 26 SER HB2 H 1 3.888 0.002 . 2 . . . A 26 SER HB2 . 18320 1 293 . 1 1 26 26 SER HB3 H 1 3.863 0.002 . 2 . . . A 26 SER HB3 . 18320 1 294 . 1 1 26 26 SER C C 13 177.237 0.300 . 1 . . . A 26 SER C . 18320 1 295 . 1 1 26 26 SER CA C 13 61.683 0.300 . 1 . . . A 26 SER CA . 18320 1 296 . 1 1 26 26 SER CB C 13 62.995 0.300 . 1 . . . A 26 SER CB . 18320 1 297 . 1 1 26 26 SER N N 15 112.843 0.300 . 1 . . . A 26 SER N . 18320 1 298 . 1 1 27 27 LYS H H 1 7.801 0.002 . 1 . . . A 27 LYS H . 18320 1 299 . 1 1 27 27 LYS HA H 1 3.806 0.002 . 1 . . . A 27 LYS HA . 18320 1 300 . 1 1 27 27 LYS HB2 H 1 1.702 0.002 . 2 . . . A 27 LYS HB2 . 18320 1 301 . 1 1 27 27 LYS HB3 H 1 1.555 0.002 . 2 . . . A 27 LYS HB3 . 18320 1 302 . 1 1 27 27 LYS HG2 H 1 0.580 0.002 . 2 . . . A 27 LYS HG2 . 18320 1 303 . 1 1 27 27 LYS HG3 H 1 1.162 0.002 . 2 . . . A 27 LYS HG3 . 18320 1 304 . 1 1 27 27 LYS HD2 H 1 1.474 0.002 . 2 . . . A 27 LYS HD2 . 18320 1 305 . 1 1 27 27 LYS HD3 H 1 1.344 0.002 . 2 . . . A 27 LYS HD3 . 18320 1 306 . 1 1 27 27 LYS HE2 H 1 2.559 0.002 . 2 . . . A 27 LYS HE2 . 18320 1 307 . 1 1 27 27 LYS HE3 H 1 2.559 0.002 . 2 . . . A 27 LYS HE3 . 18320 1 308 . 1 1 27 27 LYS C C 13 179.315 0.300 . 1 . . . A 27 LYS C . 18320 1 309 . 1 1 27 27 LYS CA C 13 59.341 0.300 . 1 . . . A 27 LYS CA . 18320 1 310 . 1 1 27 27 LYS CB C 13 32.216 0.300 . 1 . . . A 27 LYS CB . 18320 1 311 . 1 1 27 27 LYS CG C 13 24.377 0.300 . 1 . . . A 27 LYS CG . 18320 1 312 . 1 1 27 27 LYS CD C 13 29.458 0.300 . 1 . . . A 27 LYS CD . 18320 1 313 . 1 1 27 27 LYS CE C 13 41.883 0.300 . 1 . . . A 27 LYS CE . 18320 1 314 . 1 1 27 27 LYS N N 15 121.857 0.300 . 1 . . . A 27 LYS N . 18320 1 315 . 1 1 28 28 TYR H H 1 7.996 0.002 . 1 . . . A 28 TYR H . 18320 1 316 . 1 1 28 28 TYR HA H 1 3.974 0.002 . 1 . . . A 28 TYR HA . 18320 1 317 . 1 1 28 28 TYR HB2 H 1 2.659 0.002 . 2 . . . A 28 TYR HB2 . 18320 1 318 . 1 1 28 28 TYR HB3 H 1 2.313 0.002 . 2 . . . A 28 TYR HB3 . 18320 1 319 . 1 1 28 28 TYR HD1 H 1 7.077 0.002 . 3 . . . A 28 TYR HD1 . 18320 1 320 . 1 1 28 28 TYR HD2 H 1 7.077 0.002 . 3 . . . A 28 TYR HD2 . 18320 1 321 . 1 1 28 28 TYR HE1 H 1 6.896 0.002 . 3 . . . A 28 TYR HE1 . 18320 1 322 . 1 1 28 28 TYR HE2 H 1 6.896 0.002 . 3 . . . A 28 TYR HE2 . 18320 1 323 . 1 1 28 28 TYR C C 13 178.072 0.300 . 1 . . . A 28 TYR C . 18320 1 324 . 1 1 28 28 TYR CA C 13 63.495 0.300 . 1 . . . A 28 TYR CA . 18320 1 325 . 1 1 28 28 TYR CB C 13 37.825 0.300 . 1 . . . A 28 TYR CB . 18320 1 326 . 1 1 28 28 TYR CE1 C 13 118.838 0.300 . 3 . . . A 28 TYR CE1 . 18320 1 327 . 1 1 28 28 TYR N N 15 117.347 0.300 . 1 . . . A 28 TYR N . 18320 1 328 . 1 1 29 29 ALA H H 1 9.434 0.002 . 1 . . . A 29 ALA H . 18320 1 329 . 1 1 29 29 ALA HA H 1 3.791 0.002 . 1 . . . A 29 ALA HA . 18320 1 330 . 1 1 29 29 ALA HB1 H 1 0.992 0.002 . 1 . . . A 29 ALA HB1 . 18320 1 331 . 1 1 29 29 ALA HB2 H 1 0.992 0.002 . 1 . . . A 29 ALA HB2 . 18320 1 332 . 1 1 29 29 ALA HB3 H 1 0.992 0.002 . 1 . . . A 29 ALA HB3 . 18320 1 333 . 1 1 29 29 ALA C C 13 181.180 0.300 . 1 . . . A 29 ALA C . 18320 1 334 . 1 1 29 29 ALA CA C 13 55.167 0.300 . 1 . . . A 29 ALA CA . 18320 1 335 . 1 1 29 29 ALA CB C 13 17.622 0.300 . 1 . . . A 29 ALA CB . 18320 1 336 . 1 1 29 29 ALA N N 15 126.231 0.300 . 1 . . . A 29 ALA N . 18320 1 337 . 1 1 30 30 SER H H 1 7.204 0.002 . 1 . . . A 30 SER H . 18320 1 338 . 1 1 30 30 SER HA H 1 4.062 0.002 . 1 . . . A 30 SER HA . 18320 1 339 . 1 1 30 30 SER HB2 H 1 3.836 0.002 . 2 . . . A 30 SER HB2 . 18320 1 340 . 1 1 30 30 SER HB3 H 1 4.035 0.002 . 2 . . . A 30 SER HB3 . 18320 1 341 . 1 1 30 30 SER C C 13 174.893 0.300 . 1 . . . A 30 SER C . 18320 1 342 . 1 1 30 30 SER CA C 13 61.078 0.300 . 1 . . . A 30 SER CA . 18320 1 343 . 1 1 30 30 SER CB C 13 62.944 0.300 . 1 . . . A 30 SER CB . 18320 1 344 . 1 1 30 30 SER N N 15 111.894 0.300 . 1 . . . A 30 SER N . 18320 1 345 . 1 1 31 31 MET H H 1 6.932 0.002 . 1 . . . A 31 MET H . 18320 1 346 . 1 1 31 31 MET HA H 1 4.210 0.002 . 1 . . . A 31 MET HA . 18320 1 347 . 1 1 31 31 MET HB2 H 1 1.956 0.002 . 2 . . . A 31 MET HB2 . 18320 1 348 . 1 1 31 31 MET HB3 H 1 1.822 0.002 . 2 . . . A 31 MET HB3 . 18320 1 349 . 1 1 31 31 MET HG2 H 1 2.421 0.002 . 2 . . . A 31 MET HG2 . 18320 1 350 . 1 1 31 31 MET HG3 H 1 2.377 0.002 . 2 . . . A 31 MET HG3 . 18320 1 351 . 1 1 31 31 MET HE1 H 1 1.732 0.002 . 1 . . . A 31 MET HE1 . 18320 1 352 . 1 1 31 31 MET HE2 H 1 1.732 0.002 . 1 . . . A 31 MET HE2 . 18320 1 353 . 1 1 31 31 MET HE3 H 1 1.732 0.002 . 1 . . . A 31 MET HE3 . 18320 1 354 . 1 1 31 31 MET C C 13 176.955 0.300 . 1 . . . A 31 MET C . 18320 1 355 . 1 1 31 31 MET CA C 13 58.001 0.300 . 1 . . . A 31 MET CA . 18320 1 356 . 1 1 31 31 MET CB C 13 35.017 0.300 . 1 . . . A 31 MET CB . 18320 1 357 . 1 1 31 31 MET CG C 13 31.171 0.300 . 1 . . . A 31 MET CG . 18320 1 358 . 1 1 31 31 MET CE C 13 16.570 0.300 . 1 . . . A 31 MET CE . 18320 1 359 . 1 1 31 31 MET N N 15 118.043 0.300 . 1 . . . A 31 MET N . 18320 1 360 . 1 1 32 32 ASN H H 1 8.651 0.002 . 1 . . . A 32 ASN H . 18320 1 361 . 1 1 32 32 ASN HA H 1 4.787 0.002 . 1 . . . A 32 ASN HA . 18320 1 362 . 1 1 32 32 ASN HB2 H 1 2.769 0.002 . 2 . . . A 32 ASN HB2 . 18320 1 363 . 1 1 32 32 ASN HB3 H 1 2.845 0.002 . 2 . . . A 32 ASN HB3 . 18320 1 364 . 1 1 32 32 ASN HD21 H 1 7.594 0.002 . 2 . . . A 32 ASN HD21 . 18320 1 365 . 1 1 32 32 ASN HD22 H 1 6.954 0.002 . 2 . . . A 32 ASN HD22 . 18320 1 366 . 1 1 32 32 ASN C C 13 176.257 0.300 . 1 . . . A 32 ASN C . 18320 1 367 . 1 1 32 32 ASN CA C 13 53.266 0.300 . 1 . . . A 32 ASN CA . 18320 1 368 . 1 1 32 32 ASN CB C 13 39.912 0.300 . 1 . . . A 32 ASN CB . 18320 1 369 . 1 1 32 32 ASN N N 15 115.159 0.300 . 1 . . . A 32 ASN N . 18320 1 370 . 1 1 32 32 ASN ND2 N 15 108.953 0.300 . 1 . . . A 32 ASN ND2 . 18320 1 371 . 1 1 33 33 GLY H H 1 7.592 0.002 . 1 . . . A 33 GLY H . 18320 1 372 . 1 1 33 33 GLY HA2 H 1 4.200 0.002 . 2 . . . A 33 GLY HA2 . 18320 1 373 . 1 1 33 33 GLY HA3 H 1 3.735 0.002 . 2 . . . A 33 GLY HA3 . 18320 1 374 . 1 1 33 33 GLY C C 13 169.958 0.300 . 1 . . . A 33 GLY C . 18320 1 375 . 1 1 33 33 GLY CA C 13 44.388 0.300 . 1 . . . A 33 GLY CA . 18320 1 376 . 1 1 33 33 GLY N N 15 110.477 0.300 . 1 . . . A 33 GLY N . 18320 1 377 . 1 1 34 34 GLU H H 1 7.595 0.002 . 1 . . . A 34 GLU H . 18320 1 378 . 1 1 34 34 GLU HA H 1 5.028 0.002 . 1 . . . A 34 GLU HA . 18320 1 379 . 1 1 34 34 GLU HB2 H 1 1.709 0.002 . 2 . . . A 34 GLU HB2 . 18320 1 380 . 1 1 34 34 GLU HB3 H 1 1.709 0.002 . 2 . . . A 34 GLU HB3 . 18320 1 381 . 1 1 34 34 GLU HG2 H 1 1.980 0.002 . 2 . . . A 34 GLU HG2 . 18320 1 382 . 1 1 34 34 GLU HG3 H 1 1.980 0.002 . 2 . . . A 34 GLU HG3 . 18320 1 383 . 1 1 34 34 GLU C C 13 175.936 0.300 . 1 . . . A 34 GLU C . 18320 1 384 . 1 1 34 34 GLU CA C 13 54.112 0.300 . 1 . . . A 34 GLU CA . 18320 1 385 . 1 1 34 34 GLU CB C 13 34.125 0.300 . 1 . . . A 34 GLU CB . 18320 1 386 . 1 1 34 34 GLU CG C 13 36.377 0.300 . 1 . . . A 34 GLU CG . 18320 1 387 . 1 1 34 34 GLU N N 15 113.563 0.300 . 1 . . . A 34 GLU N . 18320 1 388 . 1 1 35 35 LEU H H 1 9.367 0.002 . 1 . . . A 35 LEU H . 18320 1 389 . 1 1 35 35 LEU HA H 1 5.102 0.002 . 1 . . . A 35 LEU HA . 18320 1 390 . 1 1 35 35 LEU HB2 H 1 1.583 0.002 . 2 . . . A 35 LEU HB2 . 18320 1 391 . 1 1 35 35 LEU HB3 H 1 1.647 0.002 . 2 . . . A 35 LEU HB3 . 18320 1 392 . 1 1 35 35 LEU HG H 1 1.675 0.002 . 1 . . . A 35 LEU HG . 18320 1 393 . 1 1 35 35 LEU HD11 H 1 0.851 0.002 . 2 . . . A 35 LEU HD11 . 18320 1 394 . 1 1 35 35 LEU HD12 H 1 0.851 0.002 . 2 . . . A 35 LEU HD12 . 18320 1 395 . 1 1 35 35 LEU HD13 H 1 0.851 0.002 . 2 . . . A 35 LEU HD13 . 18320 1 396 . 1 1 35 35 LEU HD21 H 1 0.902 0.002 . 2 . . . A 35 LEU HD21 . 18320 1 397 . 1 1 35 35 LEU HD22 H 1 0.902 0.002 . 2 . . . A 35 LEU HD22 . 18320 1 398 . 1 1 35 35 LEU HD23 H 1 0.902 0.002 . 2 . . . A 35 LEU HD23 . 18320 1 399 . 1 1 35 35 LEU C C 13 174.253 0.300 . 1 . . . A 35 LEU C . 18320 1 400 . 1 1 35 35 LEU CA C 13 52.102 0.300 . 1 . . . A 35 LEU CA . 18320 1 401 . 1 1 35 35 LEU CB C 13 43.977 0.300 . 1 . . . A 35 LEU CB . 18320 1 402 . 1 1 35 35 LEU CG C 13 26.745 0.300 . 1 . . . A 35 LEU CG . 18320 1 403 . 1 1 35 35 LEU CD1 C 13 25.481 0.300 . 2 . . . A 35 LEU CD1 . 18320 1 404 . 1 1 35 35 LEU CD2 C 13 24.209 0.300 . 2 . . . A 35 LEU CD2 . 18320 1 405 . 1 1 35 35 LEU N N 15 125.347 0.300 . 1 . . . A 35 LEU N . 18320 1 406 . 1 1 36 36 PRO HA H 1 4.371 0.002 . 1 . . . A 36 PRO HA . 18320 1 407 . 1 1 36 36 PRO HB2 H 1 2.105 0.002 . 2 . . . A 36 PRO HB2 . 18320 1 408 . 1 1 36 36 PRO HB3 H 1 1.821 0.002 . 2 . . . A 36 PRO HB3 . 18320 1 409 . 1 1 36 36 PRO HG2 H 1 2.021 0.002 . 2 . . . A 36 PRO HG2 . 18320 1 410 . 1 1 36 36 PRO HG3 H 1 2.177 0.002 . 2 . . . A 36 PRO HG3 . 18320 1 411 . 1 1 36 36 PRO HD2 H 1 3.965 0.002 . 2 . . . A 36 PRO HD2 . 18320 1 412 . 1 1 36 36 PRO HD3 H 1 3.705 0.002 . 2 . . . A 36 PRO HD3 . 18320 1 413 . 1 1 36 36 PRO C C 13 176.558 0.300 . 1 . . . A 36 PRO C . 18320 1 414 . 1 1 36 36 PRO CA C 13 63.039 0.300 . 1 . . . A 36 PRO CA . 18320 1 415 . 1 1 36 36 PRO CB C 13 31.452 0.300 . 1 . . . A 36 PRO CB . 18320 1 416 . 1 1 36 36 PRO CG C 13 27.890 0.300 . 1 . . . A 36 PRO CG . 18320 1 417 . 1 1 36 36 PRO CD C 13 50.466 0.300 . 1 . . . A 36 PRO CD . 18320 1 418 . 1 1 37 37 PHE H H 1 8.238 0.002 . 1 . . . A 37 PHE H . 18320 1 419 . 1 1 37 37 PHE HA H 1 4.288 0.002 . 1 . . . A 37 PHE HA . 18320 1 420 . 1 1 37 37 PHE HB2 H 1 2.742 0.002 . 2 . . . A 37 PHE HB2 . 18320 1 421 . 1 1 37 37 PHE HB3 H 1 2.704 0.002 . 2 . . . A 37 PHE HB3 . 18320 1 422 . 1 1 37 37 PHE HD1 H 1 7.001 0.002 . 3 . . . A 37 PHE HD1 . 18320 1 423 . 1 1 37 37 PHE HD2 H 1 7.001 0.002 . 3 . . . A 37 PHE HD2 . 18320 1 424 . 1 1 37 37 PHE C C 13 173.457 0.300 . 1 . . . A 37 PHE C . 18320 1 425 . 1 1 37 37 PHE CA C 13 57.970 0.300 . 1 . . . A 37 PHE CA . 18320 1 426 . 1 1 37 37 PHE CB C 13 43.043 0.300 . 1 . . . A 37 PHE CB . 18320 1 427 . 1 1 37 37 PHE N N 15 126.409 0.300 . 1 . . . A 37 PHE N . 18320 1 428 . 1 1 38 38 ASP H H 1 8.458 0.002 . 1 . . . A 38 ASP H . 18320 1 429 . 1 1 38 38 ASP HA H 1 3.798 0.002 . 1 . . . A 38 ASP HA . 18320 1 430 . 1 1 38 38 ASP HB2 H 1 2.229 0.002 . 2 . . . A 38 ASP HB2 . 18320 1 431 . 1 1 38 38 ASP HB3 H 1 2.668 0.002 . 2 . . . A 38 ASP HB3 . 18320 1 432 . 1 1 38 38 ASP C C 13 175.643 0.300 . 1 . . . A 38 ASP C . 18320 1 433 . 1 1 38 38 ASP CA C 13 56.400 0.300 . 1 . . . A 38 ASP CA . 18320 1 434 . 1 1 38 38 ASP CB C 13 39.306 0.300 . 1 . . . A 38 ASP CB . 18320 1 435 . 1 1 38 38 ASP N N 15 127.811 0.300 . 1 . . . A 38 ASP N . 18320 1 436 . 1 1 39 39 ASN H H 1 7.967 0.002 . 1 . . . A 39 ASN H . 18320 1 437 . 1 1 39 39 ASN HA H 1 4.937 0.002 . 1 . . . A 39 ASN HA . 18320 1 438 . 1 1 39 39 ASN HB2 H 1 2.938 0.002 . 2 . . . A 39 ASN HB2 . 18320 1 439 . 1 1 39 39 ASN HB3 H 1 2.545 0.002 . 2 . . . A 39 ASN HB3 . 18320 1 440 . 1 1 39 39 ASN HD21 H 1 7.623 0.002 . 2 . . . A 39 ASN HD21 . 18320 1 441 . 1 1 39 39 ASN HD22 H 1 6.728 0.002 . 2 . . . A 39 ASN HD22 . 18320 1 442 . 1 1 39 39 ASN C C 13 174.420 0.300 . 1 . . . A 39 ASN C . 18320 1 443 . 1 1 39 39 ASN CA C 13 53.242 0.300 . 1 . . . A 39 ASN CA . 18320 1 444 . 1 1 39 39 ASN CB C 13 39.184 0.300 . 1 . . . A 39 ASN CB . 18320 1 445 . 1 1 39 39 ASN CG C 13 177.875 0.300 . 1 . . . A 39 ASN CG . 18320 1 446 . 1 1 39 39 ASN N N 15 121.911 0.300 . 1 . . . A 39 ASN N . 18320 1 447 . 1 1 39 39 ASN ND2 N 15 114.186 0.300 . 1 . . . A 39 ASN ND2 . 18320 1 448 . 1 1 40 40 GLY H H 1 8.536 0.002 . 1 . . . A 40 GLY H . 18320 1 449 . 1 1 40 40 GLY HA2 H 1 4.335 0.002 . 2 . . . A 40 GLY HA2 . 18320 1 450 . 1 1 40 40 GLY HA3 H 1 4.140 0.002 . 2 . . . A 40 GLY HA3 . 18320 1 451 . 1 1 40 40 GLY C C 13 172.869 0.300 . 1 . . . A 40 GLY C . 18320 1 452 . 1 1 40 40 GLY CA C 13 45.774 0.300 . 1 . . . A 40 GLY CA . 18320 1 453 . 1 1 40 40 GLY N N 15 110.954 0.300 . 1 . . . A 40 GLY N . 18320 1 454 . 1 1 41 41 TYR H H 1 8.745 0.002 . 1 . . . A 41 TYR H . 18320 1 455 . 1 1 41 41 TYR HA H 1 5.242 0.002 . 1 . . . A 41 TYR HA . 18320 1 456 . 1 1 41 41 TYR HB2 H 1 2.789 0.002 . 2 . . . A 41 TYR HB2 . 18320 1 457 . 1 1 41 41 TYR HB3 H 1 2.398 0.002 . 2 . . . A 41 TYR HB3 . 18320 1 458 . 1 1 41 41 TYR HD1 H 1 6.686 0.002 . 3 . . . A 41 TYR HD1 . 18320 1 459 . 1 1 41 41 TYR HD2 H 1 6.686 0.002 . 3 . . . A 41 TYR HD2 . 18320 1 460 . 1 1 41 41 TYR HE1 H 1 6.616 0.002 . 3 . . . A 41 TYR HE1 . 18320 1 461 . 1 1 41 41 TYR HE2 H 1 6.616 0.002 . 3 . . . A 41 TYR HE2 . 18320 1 462 . 1 1 41 41 TYR C C 13 172.543 0.300 . 1 . . . A 41 TYR C . 18320 1 463 . 1 1 41 41 TYR CA C 13 57.343 0.300 . 1 . . . A 41 TYR CA . 18320 1 464 . 1 1 41 41 TYR CB C 13 44.523 0.300 . 1 . . . A 41 TYR CB . 18320 1 465 . 1 1 41 41 TYR CE1 C 13 117.877 0.300 . 3 . . . A 41 TYR CE1 . 18320 1 466 . 1 1 41 41 TYR N N 15 126.116 0.300 . 1 . . . A 41 TYR N . 18320 1 467 . 1 1 42 42 ALA H H 1 9.509 0.002 . 1 . . . A 42 ALA H . 18320 1 468 . 1 1 42 42 ALA HA H 1 5.957 0.002 . 1 . . . A 42 ALA HA . 18320 1 469 . 1 1 42 42 ALA HB1 H 1 0.933 0.002 . 1 . . . A 42 ALA HB1 . 18320 1 470 . 1 1 42 42 ALA HB2 H 1 0.933 0.002 . 1 . . . A 42 ALA HB2 . 18320 1 471 . 1 1 42 42 ALA HB3 H 1 0.933 0.002 . 1 . . . A 42 ALA HB3 . 18320 1 472 . 1 1 42 42 ALA C C 13 176.157 0.300 . 1 . . . A 42 ALA C . 18320 1 473 . 1 1 42 42 ALA CA C 13 50.071 0.300 . 1 . . . A 42 ALA CA . 18320 1 474 . 1 1 42 42 ALA CB C 13 24.628 0.300 . 1 . . . A 42 ALA CB . 18320 1 475 . 1 1 42 42 ALA N N 15 120.696 0.300 . 1 . . . A 42 ALA N . 18320 1 476 . 1 1 43 43 VAL H H 1 9.009 0.002 . 1 . . . A 43 VAL H . 18320 1 477 . 1 1 43 43 VAL HA H 1 4.808 0.002 . 1 . . . A 43 VAL HA . 18320 1 478 . 1 1 43 43 VAL HB H 1 1.456 0.002 . 1 . . . A 43 VAL HB . 18320 1 479 . 1 1 43 43 VAL HG11 H 1 0.644 0.002 . 2 . . . A 43 VAL HG11 . 18320 1 480 . 1 1 43 43 VAL HG12 H 1 0.644 0.002 . 2 . . . A 43 VAL HG12 . 18320 1 481 . 1 1 43 43 VAL HG13 H 1 0.644 0.002 . 2 . . . A 43 VAL HG13 . 18320 1 482 . 1 1 43 43 VAL HG21 H 1 0.328 0.002 . 2 . . . A 43 VAL HG21 . 18320 1 483 . 1 1 43 43 VAL HG22 H 1 0.328 0.002 . 2 . . . A 43 VAL HG22 . 18320 1 484 . 1 1 43 43 VAL HG23 H 1 0.328 0.002 . 2 . . . A 43 VAL HG23 . 18320 1 485 . 1 1 43 43 VAL C C 13 174.184 0.300 . 1 . . . A 43 VAL C . 18320 1 486 . 1 1 43 43 VAL CA C 13 57.765 0.300 . 1 . . . A 43 VAL CA . 18320 1 487 . 1 1 43 43 VAL CB C 13 35.832 0.300 . 1 . . . A 43 VAL CB . 18320 1 488 . 1 1 43 43 VAL CG1 C 13 20.308 0.300 . 2 . . . A 43 VAL CG1 . 18320 1 489 . 1 1 43 43 VAL CG2 C 13 20.873 0.300 . 2 . . . A 43 VAL CG2 . 18320 1 490 . 1 1 43 43 VAL N N 15 120.797 0.300 . 1 . . . A 43 VAL N . 18320 1 491 . 1 1 44 44 PRO HA H 1 4.293 0.002 . 1 . . . A 44 PRO HA . 18320 1 492 . 1 1 44 44 PRO HB2 H 1 2.038 0.002 . 2 . . . A 44 PRO HB2 . 18320 1 493 . 1 1 44 44 PRO HB3 H 1 1.778 0.002 . 2 . . . A 44 PRO HB3 . 18320 1 494 . 1 1 44 44 PRO HG2 H 1 1.927 0.002 . 2 . . . A 44 PRO HG2 . 18320 1 495 . 1 1 44 44 PRO HG3 H 1 1.856 0.002 . 2 . . . A 44 PRO HG3 . 18320 1 496 . 1 1 44 44 PRO HD2 H 1 3.705 0.002 . 2 . . . A 44 PRO HD2 . 18320 1 497 . 1 1 44 44 PRO HD3 H 1 3.705 0.002 . 2 . . . A 44 PRO HD3 . 18320 1 498 . 1 1 44 44 PRO C C 13 175.112 0.300 . 1 . . . A 44 PRO C . 18320 1 499 . 1 1 44 44 PRO CA C 13 62.372 0.300 . 1 . . . A 44 PRO CA . 18320 1 500 . 1 1 44 44 PRO CB C 13 32.388 0.300 . 1 . . . A 44 PRO CB . 18320 1 501 . 1 1 44 44 PRO CG C 13 27.005 0.300 . 1 . . . A 44 PRO CG . 18320 1 502 . 1 1 44 44 PRO CD C 13 50.911 0.300 . 1 . . . A 44 PRO CD . 18320 1 503 . 1 1 45 45 LEU H H 1 7.239 0.002 . 1 . . . A 45 LEU H . 18320 1 504 . 1 1 45 45 LEU HA H 1 4.105 0.002 . 1 . . . A 45 LEU HA . 18320 1 505 . 1 1 45 45 LEU HB2 H 1 1.252 0.002 . 2 . . . A 45 LEU HB2 . 18320 1 506 . 1 1 45 45 LEU HB3 H 1 0.500 0.002 . 2 . . . A 45 LEU HB3 . 18320 1 507 . 1 1 45 45 LEU HG H 1 1.169 0.002 . 1 . . . A 45 LEU HG . 18320 1 508 . 1 1 45 45 LEU HD11 H 1 -0.192 0.002 . 2 . . . A 45 LEU HD11 . 18320 1 509 . 1 1 45 45 LEU HD12 H 1 -0.192 0.002 . 2 . . . A 45 LEU HD12 . 18320 1 510 . 1 1 45 45 LEU HD13 H 1 -0.192 0.002 . 2 . . . A 45 LEU HD13 . 18320 1 511 . 1 1 45 45 LEU HD21 H 1 0.005 0.002 . 2 . . . A 45 LEU HD21 . 18320 1 512 . 1 1 45 45 LEU HD22 H 1 0.005 0.002 . 2 . . . A 45 LEU HD22 . 18320 1 513 . 1 1 45 45 LEU HD23 H 1 0.005 0.002 . 2 . . . A 45 LEU HD23 . 18320 1 514 . 1 1 45 45 LEU C C 13 175.115 0.300 . 1 . . . A 45 LEU C . 18320 1 515 . 1 1 45 45 LEU CA C 13 53.075 0.300 . 1 . . . A 45 LEU CA . 18320 1 516 . 1 1 45 45 LEU CB C 13 44.323 0.300 . 1 . . . A 45 LEU CB . 18320 1 517 . 1 1 45 45 LEU CG C 13 25.841 0.300 . 1 . . . A 45 LEU CG . 18320 1 518 . 1 1 45 45 LEU CD1 C 13 22.298 0.300 . 2 . . . A 45 LEU CD1 . 18320 1 519 . 1 1 45 45 LEU CD2 C 13 25.827 0.300 . 2 . . . A 45 LEU CD2 . 18320 1 520 . 1 1 45 45 LEU N N 15 117.422 0.300 . 1 . . . A 45 LEU N . 18320 1 521 . 1 1 46 46 ASP H H 1 7.998 0.002 . 1 . . . A 46 ASP H . 18320 1 522 . 1 1 46 46 ASP HA H 1 4.648 0.002 . 1 . . . A 46 ASP HA . 18320 1 523 . 1 1 46 46 ASP HB2 H 1 2.474 0.002 . 2 . . . A 46 ASP HB2 . 18320 1 524 . 1 1 46 46 ASP HB3 H 1 2.436 0.002 . 2 . . . A 46 ASP HB3 . 18320 1 525 . 1 1 46 46 ASP C C 13 175.048 0.300 . 1 . . . A 46 ASP C . 18320 1 526 . 1 1 46 46 ASP CA C 13 53.397 0.300 . 1 . . . A 46 ASP CA . 18320 1 527 . 1 1 46 46 ASP CB C 13 43.053 0.300 . 1 . . . A 46 ASP CB . 18320 1 528 . 1 1 46 46 ASP N N 15 120.030 0.300 . 1 . . . A 46 ASP N . 18320 1 529 . 1 1 47 47 ASN H H 1 8.182 0.002 . 1 . . . A 47 ASN H . 18320 1 530 . 1 1 47 47 ASN HA H 1 4.027 0.002 . 1 . . . A 47 ASN HA . 18320 1 531 . 1 1 47 47 ASN HB2 H 1 2.968 0.002 . 2 . . . A 47 ASN HB2 . 18320 1 532 . 1 1 47 47 ASN HB3 H 1 2.730 0.002 . 2 . . . A 47 ASN HB3 . 18320 1 533 . 1 1 47 47 ASN HD21 H 1 7.611 0.002 . 2 . . . A 47 ASN HD21 . 18320 1 534 . 1 1 47 47 ASN HD22 H 1 6.791 0.002 . 2 . . . A 47 ASN HD22 . 18320 1 535 . 1 1 47 47 ASN C C 13 172.880 0.300 . 1 . . . A 47 ASN C . 18320 1 536 . 1 1 47 47 ASN CA C 13 54.059 0.300 . 1 . . . A 47 ASN CA . 18320 1 537 . 1 1 47 47 ASN CB C 13 38.245 0.300 . 1 . . . A 47 ASN CB . 18320 1 538 . 1 1 47 47 ASN CG C 13 177.728 0.300 . 1 . . . A 47 ASN CG . 18320 1 539 . 1 1 47 47 ASN N N 15 120.126 0.300 . 1 . . . A 47 ASN N . 18320 1 540 . 1 1 47 47 ASN ND2 N 15 113.644 0.300 . 1 . . . A 47 ASN ND2 . 18320 1 541 . 1 1 48 48 VAL H H 1 7.875 0.002 . 1 . . . A 48 VAL H . 18320 1 542 . 1 1 48 48 VAL HA H 1 4.513 0.002 . 1 . . . A 48 VAL HA . 18320 1 543 . 1 1 48 48 VAL HB H 1 1.320 0.002 . 1 . . . A 48 VAL HB . 18320 1 544 . 1 1 48 48 VAL HG11 H 1 0.355 0.002 . 2 . . . A 48 VAL HG11 . 18320 1 545 . 1 1 48 48 VAL HG12 H 1 0.355 0.002 . 2 . . . A 48 VAL HG12 . 18320 1 546 . 1 1 48 48 VAL HG13 H 1 0.355 0.002 . 2 . . . A 48 VAL HG13 . 18320 1 547 . 1 1 48 48 VAL HG21 H 1 0.388 0.002 . 2 . . . A 48 VAL HG21 . 18320 1 548 . 1 1 48 48 VAL HG22 H 1 0.388 0.002 . 2 . . . A 48 VAL HG22 . 18320 1 549 . 1 1 48 48 VAL HG23 H 1 0.388 0.002 . 2 . . . A 48 VAL HG23 . 18320 1 550 . 1 1 48 48 VAL C C 13 174.644 0.300 . 1 . . . A 48 VAL C . 18320 1 551 . 1 1 48 48 VAL CA C 13 62.134 0.300 . 1 . . . A 48 VAL CA . 18320 1 552 . 1 1 48 48 VAL CB C 13 32.769 0.300 . 1 . . . A 48 VAL CB . 18320 1 553 . 1 1 48 48 VAL CG1 C 13 21.547 0.300 . 2 . . . A 48 VAL CG1 . 18320 1 554 . 1 1 48 48 VAL CG2 C 13 21.973 0.300 . 2 . . . A 48 VAL CG2 . 18320 1 555 . 1 1 48 48 VAL N N 15 118.757 0.300 . 1 . . . A 48 VAL N . 18320 1 556 . 1 1 49 49 PHE H H 1 9.091 0.002 . 1 . . . A 49 PHE H . 18320 1 557 . 1 1 49 49 PHE HA H 1 5.141 0.002 . 1 . . . A 49 PHE HA . 18320 1 558 . 1 1 49 49 PHE HB2 H 1 2.614 0.002 . 2 . . . A 49 PHE HB2 . 18320 1 559 . 1 1 49 49 PHE HB3 H 1 2.614 0.002 . 2 . . . A 49 PHE HB3 . 18320 1 560 . 1 1 49 49 PHE HD1 H 1 6.946 0.002 . 3 . . . A 49 PHE HD1 . 18320 1 561 . 1 1 49 49 PHE HD2 H 1 6.946 0.002 . 3 . . . A 49 PHE HD2 . 18320 1 562 . 1 1 49 49 PHE C C 13 174.588 0.300 . 1 . . . A 49 PHE C . 18320 1 563 . 1 1 49 49 PHE CA C 13 56.307 0.300 . 1 . . . A 49 PHE CA . 18320 1 564 . 1 1 49 49 PHE CB C 13 42.885 0.300 . 1 . . . A 49 PHE CB . 18320 1 565 . 1 1 49 49 PHE N N 15 125.701 0.300 . 1 . . . A 49 PHE N . 18320 1 566 . 1 1 50 50 VAL H H 1 8.945 0.002 . 1 . . . A 50 VAL H . 18320 1 567 . 1 1 50 50 VAL HA H 1 4.792 0.002 . 1 . . . A 50 VAL HA . 18320 1 568 . 1 1 50 50 VAL HB H 1 2.933 0.002 . 1 . . . A 50 VAL HB . 18320 1 569 . 1 1 50 50 VAL HG11 H 1 0.773 0.002 . 2 . . . A 50 VAL HG11 . 18320 1 570 . 1 1 50 50 VAL HG12 H 1 0.773 0.002 . 2 . . . A 50 VAL HG12 . 18320 1 571 . 1 1 50 50 VAL HG13 H 1 0.773 0.002 . 2 . . . A 50 VAL HG13 . 18320 1 572 . 1 1 50 50 VAL HG21 H 1 0.625 0.002 . 2 . . . A 50 VAL HG21 . 18320 1 573 . 1 1 50 50 VAL HG22 H 1 0.625 0.002 . 2 . . . A 50 VAL HG22 . 18320 1 574 . 1 1 50 50 VAL HG23 H 1 0.625 0.002 . 2 . . . A 50 VAL HG23 . 18320 1 575 . 1 1 50 50 VAL C C 13 175.105 0.300 . 1 . . . A 50 VAL C . 18320 1 576 . 1 1 50 50 VAL CA C 13 58.748 0.300 . 1 . . . A 50 VAL CA . 18320 1 577 . 1 1 50 50 VAL CB C 13 34.786 0.300 . 1 . . . A 50 VAL CB . 18320 1 578 . 1 1 50 50 VAL CG1 C 13 21.251 0.300 . 2 . . . A 50 VAL CG1 . 18320 1 579 . 1 1 50 50 VAL CG2 C 13 18.779 0.300 . 2 . . . A 50 VAL CG2 . 18320 1 580 . 1 1 50 50 VAL N N 15 111.497 0.300 . 1 . . . A 50 VAL N . 18320 1 581 . 1 1 51 51 TYR H H 1 9.307 0.002 . 1 . . . A 51 TYR H . 18320 1 582 . 1 1 51 51 TYR HA H 1 5.153 0.002 . 1 . . . A 51 TYR HA . 18320 1 583 . 1 1 51 51 TYR HB2 H 1 2.654 0.002 . 2 . . . A 51 TYR HB2 . 18320 1 584 . 1 1 51 51 TYR HB3 H 1 2.583 0.002 . 2 . . . A 51 TYR HB3 . 18320 1 585 . 1 1 51 51 TYR HD1 H 1 6.904 0.002 . 3 . . . A 51 TYR HD1 . 18320 1 586 . 1 1 51 51 TYR HD2 H 1 6.904 0.002 . 3 . . . A 51 TYR HD2 . 18320 1 587 . 1 1 51 51 TYR HE1 H 1 6.685 0.002 . 3 . . . A 51 TYR HE1 . 18320 1 588 . 1 1 51 51 TYR HE2 H 1 6.685 0.002 . 3 . . . A 51 TYR HE2 . 18320 1 589 . 1 1 51 51 TYR C C 13 174.963 0.300 . 1 . . . A 51 TYR C . 18320 1 590 . 1 1 51 51 TYR CA C 13 58.434 0.300 . 1 . . . A 51 TYR CA . 18320 1 591 . 1 1 51 51 TYR CB C 13 40.458 0.300 . 1 . . . A 51 TYR CB . 18320 1 592 . 1 1 51 51 TYR CE1 C 13 117.947 0.300 . 3 . . . A 51 TYR CE1 . 18320 1 593 . 1 1 51 51 TYR N N 15 118.900 0.300 . 1 . . . A 51 TYR N . 18320 1 594 . 1 1 52 52 THR H H 1 9.094 0.002 . 1 . . . A 52 THR H . 18320 1 595 . 1 1 52 52 THR HA H 1 4.646 0.002 . 1 . . . A 52 THR HA . 18320 1 596 . 1 1 52 52 THR HB H 1 3.807 0.002 . 1 . . . A 52 THR HB . 18320 1 597 . 1 1 52 52 THR HG21 H 1 0.911 0.002 . 1 . . . A 52 THR HG21 . 18320 1 598 . 1 1 52 52 THR HG22 H 1 0.911 0.002 . 1 . . . A 52 THR HG22 . 18320 1 599 . 1 1 52 52 THR HG23 H 1 0.911 0.002 . 1 . . . A 52 THR HG23 . 18320 1 600 . 1 1 52 52 THR C C 13 170.084 0.300 . 1 . . . A 52 THR C . 18320 1 601 . 1 1 52 52 THR CA C 13 59.514 0.300 . 1 . . . A 52 THR CA . 18320 1 602 . 1 1 52 52 THR CB C 13 70.842 0.300 . 1 . . . A 52 THR CB . 18320 1 603 . 1 1 52 52 THR CG2 C 13 19.297 0.300 . 1 . . . A 52 THR CG2 . 18320 1 604 . 1 1 52 52 THR N N 15 115.444 0.300 . 1 . . . A 52 THR N . 18320 1 605 . 1 1 53 53 LEU H H 1 8.769 0.002 . 1 . . . A 53 LEU H . 18320 1 606 . 1 1 53 53 LEU HA H 1 4.849 0.002 . 1 . . . A 53 LEU HA . 18320 1 607 . 1 1 53 53 LEU HB2 H 1 0.906 0.002 . 2 . . . A 53 LEU HB2 . 18320 1 608 . 1 1 53 53 LEU HB3 H 1 1.745 0.002 . 2 . . . A 53 LEU HB3 . 18320 1 609 . 1 1 53 53 LEU HG H 1 1.012 0.002 . 1 . . . A 53 LEU HG . 18320 1 610 . 1 1 53 53 LEU HD11 H 1 0.499 0.002 . 2 . . . A 53 LEU HD11 . 18320 1 611 . 1 1 53 53 LEU HD12 H 1 0.499 0.002 . 2 . . . A 53 LEU HD12 . 18320 1 612 . 1 1 53 53 LEU HD13 H 1 0.499 0.002 . 2 . . . A 53 LEU HD13 . 18320 1 613 . 1 1 53 53 LEU HD21 H 1 0.519 0.002 . 2 . . . A 53 LEU HD21 . 18320 1 614 . 1 1 53 53 LEU HD22 H 1 0.519 0.002 . 2 . . . A 53 LEU HD22 . 18320 1 615 . 1 1 53 53 LEU HD23 H 1 0.519 0.002 . 2 . . . A 53 LEU HD23 . 18320 1 616 . 1 1 53 53 LEU C C 13 175.438 0.300 . 1 . . . A 53 LEU C . 18320 1 617 . 1 1 53 53 LEU CA C 13 53.344 0.300 . 1 . . . A 53 LEU CA . 18320 1 618 . 1 1 53 53 LEU CB C 13 45.361 0.300 . 1 . . . A 53 LEU CB . 18320 1 619 . 1 1 53 53 LEU CG C 13 27.328 0.300 . 1 . . . A 53 LEU CG . 18320 1 620 . 1 1 53 53 LEU CD1 C 13 22.948 0.300 . 2 . . . A 53 LEU CD1 . 18320 1 621 . 1 1 53 53 LEU CD2 C 13 26.804 0.300 . 2 . . . A 53 LEU CD2 . 18320 1 622 . 1 1 53 53 LEU N N 15 128.005 0.300 . 1 . . . A 53 LEU N . 18320 1 623 . 1 1 54 54 ASP H H 1 8.862 0.002 . 1 . . . A 54 ASP H . 18320 1 624 . 1 1 54 54 ASP HA H 1 4.803 0.002 . 1 . . . A 54 ASP HA . 18320 1 625 . 1 1 54 54 ASP HB2 H 1 3.176 0.002 . 2 . . . A 54 ASP HB2 . 18320 1 626 . 1 1 54 54 ASP HB3 H 1 2.223 0.002 . 2 . . . A 54 ASP HB3 . 18320 1 627 . 1 1 54 54 ASP C C 13 176.380 0.300 . 1 . . . A 54 ASP C . 18320 1 628 . 1 1 54 54 ASP CA C 13 52.635 0.300 . 1 . . . A 54 ASP CA . 18320 1 629 . 1 1 54 54 ASP CB C 13 41.425 0.300 . 1 . . . A 54 ASP CB . 18320 1 630 . 1 1 54 54 ASP N N 15 127.245 0.300 . 1 . . . A 54 ASP N . 18320 1 631 . 1 1 55 55 ILE H H 1 8.411 0.002 . 1 . . . A 55 ILE H . 18320 1 632 . 1 1 55 55 ILE HA H 1 3.550 0.002 . 1 . . . A 55 ILE HA . 18320 1 633 . 1 1 55 55 ILE HB H 1 1.899 0.002 . 1 . . . A 55 ILE HB . 18320 1 634 . 1 1 55 55 ILE HG12 H 1 1.510 0.002 . 2 . . . A 55 ILE HG12 . 18320 1 635 . 1 1 55 55 ILE HG13 H 1 1.292 0.002 . 2 . . . A 55 ILE HG13 . 18320 1 636 . 1 1 55 55 ILE HG21 H 1 0.855 0.002 . 1 . . . A 55 ILE HG21 . 18320 1 637 . 1 1 55 55 ILE HG22 H 1 0.855 0.002 . 1 . . . A 55 ILE HG22 . 18320 1 638 . 1 1 55 55 ILE HG23 H 1 0.855 0.002 . 1 . . . A 55 ILE HG23 . 18320 1 639 . 1 1 55 55 ILE HD11 H 1 0.767 0.002 . 1 . . . A 55 ILE HD11 . 18320 1 640 . 1 1 55 55 ILE HD12 H 1 0.767 0.002 . 1 . . . A 55 ILE HD12 . 18320 1 641 . 1 1 55 55 ILE HD13 H 1 0.767 0.002 . 1 . . . A 55 ILE HD13 . 18320 1 642 . 1 1 55 55 ILE C C 13 176.745 0.300 . 1 . . . A 55 ILE C . 18320 1 643 . 1 1 55 55 ILE CA C 13 64.418 0.300 . 1 . . . A 55 ILE CA . 18320 1 644 . 1 1 55 55 ILE CB C 13 37.910 0.300 . 1 . . . A 55 ILE CB . 18320 1 645 . 1 1 55 55 ILE CG1 C 13 27.710 0.300 . 1 . . . A 55 ILE CG1 . 18320 1 646 . 1 1 55 55 ILE CG2 C 13 17.672 0.300 . 1 . . . A 55 ILE CG2 . 18320 1 647 . 1 1 55 55 ILE CD1 C 13 13.546 0.300 . 1 . . . A 55 ILE CD1 . 18320 1 648 . 1 1 55 55 ILE N N 15 123.723 0.300 . 1 . . . A 55 ILE N . 18320 1 649 . 1 1 56 56 ALA H H 1 8.176 0.002 . 1 . . . A 56 ALA H . 18320 1 650 . 1 1 56 56 ALA HA H 1 4.197 0.002 . 1 . . . A 56 ALA HA . 18320 1 651 . 1 1 56 56 ALA HB1 H 1 1.459 0.002 . 1 . . . A 56 ALA HB1 . 18320 1 652 . 1 1 56 56 ALA HB2 H 1 1.459 0.002 . 1 . . . A 56 ALA HB2 . 18320 1 653 . 1 1 56 56 ALA HB3 H 1 1.459 0.002 . 1 . . . A 56 ALA HB3 . 18320 1 654 . 1 1 56 56 ALA C C 13 178.897 0.300 . 1 . . . A 56 ALA C . 18320 1 655 . 1 1 56 56 ALA CA C 13 54.531 0.300 . 1 . . . A 56 ALA CA . 18320 1 656 . 1 1 56 56 ALA CB C 13 18.680 0.300 . 1 . . . A 56 ALA CB . 18320 1 657 . 1 1 56 56 ALA N N 15 122.180 0.300 . 1 . . . A 56 ALA N . 18320 1 658 . 1 1 57 57 SER H H 1 7.524 0.002 . 1 . . . A 57 SER H . 18320 1 659 . 1 1 57 57 SER HA H 1 4.494 0.002 . 1 . . . A 57 SER HA . 18320 1 660 . 1 1 57 57 SER HB2 H 1 3.907 0.002 . 2 . . . A 57 SER HB2 . 18320 1 661 . 1 1 57 57 SER HB3 H 1 3.698 0.002 . 2 . . . A 57 SER HB3 . 18320 1 662 . 1 1 57 57 SER C C 13 176.008 0.300 . 1 . . . A 57 SER C . 18320 1 663 . 1 1 57 57 SER CA C 13 58.195 0.300 . 1 . . . A 57 SER CA . 18320 1 664 . 1 1 57 57 SER CB C 13 65.489 0.300 . 1 . . . A 57 SER CB . 18320 1 665 . 1 1 57 57 SER N N 15 109.857 0.300 . 1 . . . A 57 SER N . 18320 1 666 . 1 1 58 58 GLY H H 1 8.529 0.002 . 1 . . . A 58 GLY H . 18320 1 667 . 1 1 58 58 GLY HA2 H 1 4.123 0.002 . 2 . . . A 58 GLY HA2 . 18320 1 668 . 1 1 58 58 GLY HA3 H 1 3.457 0.002 . 2 . . . A 58 GLY HA3 . 18320 1 669 . 1 1 58 58 GLY C C 13 173.226 0.300 . 1 . . . A 58 GLY C . 18320 1 670 . 1 1 58 58 GLY CA C 13 45.959 0.300 . 1 . . . A 58 GLY CA . 18320 1 671 . 1 1 58 58 GLY N N 15 113.073 0.300 . 1 . . . A 58 GLY N . 18320 1 672 . 1 1 59 59 GLU H H 1 7.716 0.002 . 1 . . . A 59 GLU H . 18320 1 673 . 1 1 59 59 GLU HA H 1 4.358 0.002 . 1 . . . A 59 GLU HA . 18320 1 674 . 1 1 59 59 GLU HB2 H 1 1.845 0.002 . 2 . . . A 59 GLU HB2 . 18320 1 675 . 1 1 59 59 GLU HB3 H 1 1.761 0.002 . 2 . . . A 59 GLU HB3 . 18320 1 676 . 1 1 59 59 GLU HG2 H 1 1.991 0.002 . 2 . . . A 59 GLU HG2 . 18320 1 677 . 1 1 59 59 GLU HG3 H 1 2.141 0.002 . 2 . . . A 59 GLU HG3 . 18320 1 678 . 1 1 59 59 GLU C C 13 175.149 0.300 . 1 . . . A 59 GLU C . 18320 1 679 . 1 1 59 59 GLU CA C 13 56.564 0.300 . 1 . . . A 59 GLU CA . 18320 1 680 . 1 1 59 59 GLU CB C 13 32.141 0.300 . 1 . . . A 59 GLU CB . 18320 1 681 . 1 1 59 59 GLU CG C 13 36.943 0.300 . 1 . . . A 59 GLU CG . 18320 1 682 . 1 1 59 59 GLU N N 15 119.049 0.300 . 1 . . . A 59 GLU N . 18320 1 683 . 1 1 60 60 ILE H H 1 8.270 0.002 . 1 . . . A 60 ILE H . 18320 1 684 . 1 1 60 60 ILE HA H 1 5.020 0.002 . 1 . . . A 60 ILE HA . 18320 1 685 . 1 1 60 60 ILE HB H 1 1.622 0.002 . 1 . . . A 60 ILE HB . 18320 1 686 . 1 1 60 60 ILE HG12 H 1 1.454 0.002 . 2 . . . A 60 ILE HG12 . 18320 1 687 . 1 1 60 60 ILE HG13 H 1 0.862 0.002 . 2 . . . A 60 ILE HG13 . 18320 1 688 . 1 1 60 60 ILE HG21 H 1 0.756 0.002 . 1 . . . A 60 ILE HG21 . 18320 1 689 . 1 1 60 60 ILE HG22 H 1 0.756 0.002 . 1 . . . A 60 ILE HG22 . 18320 1 690 . 1 1 60 60 ILE HG23 H 1 0.756 0.002 . 1 . . . A 60 ILE HG23 . 18320 1 691 . 1 1 60 60 ILE HD11 H 1 0.641 0.002 . 1 . . . A 60 ILE HD11 . 18320 1 692 . 1 1 60 60 ILE HD12 H 1 0.641 0.002 . 1 . . . A 60 ILE HD12 . 18320 1 693 . 1 1 60 60 ILE HD13 H 1 0.641 0.002 . 1 . . . A 60 ILE HD13 . 18320 1 694 . 1 1 60 60 ILE C C 13 175.430 0.300 . 1 . . . A 60 ILE C . 18320 1 695 . 1 1 60 60 ILE CA C 13 59.819 0.300 . 1 . . . A 60 ILE CA . 18320 1 696 . 1 1 60 60 ILE CB C 13 38.821 0.300 . 1 . . . A 60 ILE CB . 18320 1 697 . 1 1 60 60 ILE CG1 C 13 28.064 0.300 . 1 . . . A 60 ILE CG1 . 18320 1 698 . 1 1 60 60 ILE CG2 C 13 17.938 0.300 . 1 . . . A 60 ILE CG2 . 18320 1 699 . 1 1 60 60 ILE CD1 C 13 14.291 0.300 . 1 . . . A 60 ILE CD1 . 18320 1 700 . 1 1 60 60 ILE N N 15 123.022 0.300 . 1 . . . A 60 ILE N . 18320 1 701 . 1 1 61 61 LYS H H 1 8.608 0.002 . 1 . . . A 61 LYS H . 18320 1 702 . 1 1 61 61 LYS HA H 1 4.784 0.002 . 1 . . . A 61 LYS HA . 18320 1 703 . 1 1 61 61 LYS HB2 H 1 1.773 0.002 . 2 . . . A 61 LYS HB2 . 18320 1 704 . 1 1 61 61 LYS HB3 H 1 1.611 0.002 . 2 . . . A 61 LYS HB3 . 18320 1 705 . 1 1 61 61 LYS HG2 H 1 1.230 0.002 . 2 . . . A 61 LYS HG2 . 18320 1 706 . 1 1 61 61 LYS HG3 H 1 1.014 0.002 . 2 . . . A 61 LYS HG3 . 18320 1 707 . 1 1 61 61 LYS HD2 H 1 1.535 0.002 . 2 . . . A 61 LYS HD2 . 18320 1 708 . 1 1 61 61 LYS HD3 H 1 1.535 0.002 . 2 . . . A 61 LYS HD3 . 18320 1 709 . 1 1 61 61 LYS HE2 H 1 2.763 0.002 . 2 . . . A 61 LYS HE2 . 18320 1 710 . 1 1 61 61 LYS HE3 H 1 2.763 0.002 . 2 . . . A 61 LYS HE3 . 18320 1 711 . 1 1 61 61 LYS C C 13 173.959 0.300 . 1 . . . A 61 LYS C . 18320 1 712 . 1 1 61 61 LYS CA C 13 54.059 0.300 . 1 . . . A 61 LYS CA . 18320 1 713 . 1 1 61 61 LYS CB C 13 35.950 0.300 . 1 . . . A 61 LYS CB . 18320 1 714 . 1 1 61 61 LYS CG C 13 24.045 0.300 . 1 . . . A 61 LYS CG . 18320 1 715 . 1 1 61 61 LYS CD C 13 29.476 0.300 . 1 . . . A 61 LYS CD . 18320 1 716 . 1 1 61 61 LYS CE C 13 42.067 0.300 . 1 . . . A 61 LYS CE . 18320 1 717 . 1 1 61 61 LYS N N 15 123.337 0.300 . 1 . . . A 61 LYS N . 18320 1 718 . 1 1 62 62 LYS H H 1 8.377 0.002 . 1 . . . A 62 LYS H . 18320 1 719 . 1 1 62 62 LYS HA H 1 5.009 0.002 . 1 . . . A 62 LYS HA . 18320 1 720 . 1 1 62 62 LYS HB2 H 1 1.415 0.002 . 2 . . . A 62 LYS HB2 . 18320 1 721 . 1 1 62 62 LYS HB3 H 1 1.347 0.002 . 2 . . . A 62 LYS HB3 . 18320 1 722 . 1 1 62 62 LYS HG2 H 1 0.799 0.002 . 2 . . . A 62 LYS HG2 . 18320 1 723 . 1 1 62 62 LYS HG3 H 1 0.721 0.002 . 2 . . . A 62 LYS HG3 . 18320 1 724 . 1 1 62 62 LYS HD2 H 1 1.153 0.002 . 2 . . . A 62 LYS HD2 . 18320 1 725 . 1 1 62 62 LYS HD3 H 1 1.153 0.002 . 2 . . . A 62 LYS HD3 . 18320 1 726 . 1 1 62 62 LYS HE2 H 1 2.326 0.002 . 2 . . . A 62 LYS HE2 . 18320 1 727 . 1 1 62 62 LYS HE3 H 1 2.396 0.002 . 2 . . . A 62 LYS HE3 . 18320 1 728 . 1 1 62 62 LYS C C 13 176.663 0.300 . 1 . . . A 62 LYS C . 18320 1 729 . 1 1 62 62 LYS CA C 13 55.296 0.300 . 1 . . . A 62 LYS CA . 18320 1 730 . 1 1 62 62 LYS CB C 13 34.274 0.300 . 1 . . . A 62 LYS CB . 18320 1 731 . 1 1 62 62 LYS CG C 13 25.414 0.300 . 1 . . . A 62 LYS CG . 18320 1 732 . 1 1 62 62 LYS CD C 13 29.241 0.300 . 1 . . . A 62 LYS CD . 18320 1 733 . 1 1 62 62 LYS CE C 13 41.320 0.300 . 1 . . . A 62 LYS CE . 18320 1 734 . 1 1 62 62 LYS N N 15 120.975 0.300 . 1 . . . A 62 LYS N . 18320 1 735 . 1 1 63 63 THR H H 1 9.161 0.002 . 1 . . . A 63 THR H . 18320 1 736 . 1 1 63 63 THR HA H 1 4.789 0.002 . 1 . . . A 63 THR HA . 18320 1 737 . 1 1 63 63 THR HB H 1 3.722 0.002 . 1 . . . A 63 THR HB . 18320 1 738 . 1 1 63 63 THR HG21 H 1 0.927 0.002 . 1 . . . A 63 THR HG21 . 18320 1 739 . 1 1 63 63 THR HG22 H 1 0.927 0.002 . 1 . . . A 63 THR HG22 . 18320 1 740 . 1 1 63 63 THR HG23 H 1 0.927 0.002 . 1 . . . A 63 THR HG23 . 18320 1 741 . 1 1 63 63 THR C C 13 171.618 0.300 . 1 . . . A 63 THR C . 18320 1 742 . 1 1 63 63 THR CA C 13 60.560 0.300 . 1 . . . A 63 THR CA . 18320 1 743 . 1 1 63 63 THR CB C 13 70.354 0.300 . 1 . . . A 63 THR CB . 18320 1 744 . 1 1 63 63 THR CG2 C 13 20.448 0.300 . 1 . . . A 63 THR CG2 . 18320 1 745 . 1 1 63 63 THR N N 15 119.210 0.300 . 1 . . . A 63 THR N . 18320 1 746 . 1 1 64 64 ARG H H 1 7.681 0.002 . 1 . . . A 64 ARG H . 18320 1 747 . 1 1 64 64 ARG HA H 1 4.334 0.002 . 1 . . . A 64 ARG HA . 18320 1 748 . 1 1 64 64 ARG HB2 H 1 1.442 0.002 . 2 . . . A 64 ARG HB2 . 18320 1 749 . 1 1 64 64 ARG HB3 H 1 1.442 0.002 . 2 . . . A 64 ARG HB3 . 18320 1 750 . 1 1 64 64 ARG HG2 H 1 0.923 0.002 . 2 . . . A 64 ARG HG2 . 18320 1 751 . 1 1 64 64 ARG HG3 H 1 1.224 0.002 . 2 . . . A 64 ARG HG3 . 18320 1 752 . 1 1 64 64 ARG HD2 H 1 2.904 0.002 . 2 . . . A 64 ARG HD2 . 18320 1 753 . 1 1 64 64 ARG HD3 H 1 2.946 0.002 . 2 . . . A 64 ARG HD3 . 18320 1 754 . 1 1 64 64 ARG C C 13 176.315 0.300 . 1 . . . A 64 ARG C . 18320 1 755 . 1 1 64 64 ARG CA C 13 56.264 0.300 . 1 . . . A 64 ARG CA . 18320 1 756 . 1 1 64 64 ARG CB C 13 31.797 0.300 . 1 . . . A 64 ARG CB . 18320 1 757 . 1 1 64 64 ARG CG C 13 28.067 0.300 . 1 . . . A 64 ARG CG . 18320 1 758 . 1 1 64 64 ARG CD C 13 43.135 0.300 . 1 . . . A 64 ARG CD . 18320 1 759 . 1 1 64 64 ARG N N 15 123.382 0.300 . 1 . . . A 64 ARG N . 18320 1 760 . 1 1 65 65 ALA H H 1 7.712 0.002 . 1 . . . A 65 ALA H . 18320 1 761 . 1 1 65 65 ALA HA H 1 4.729 0.002 . 1 . . . A 65 ALA HA . 18320 1 762 . 1 1 65 65 ALA HB1 H 1 0.687 0.002 . 1 . . . A 65 ALA HB1 . 18320 1 763 . 1 1 65 65 ALA HB2 H 1 0.687 0.002 . 1 . . . A 65 ALA HB2 . 18320 1 764 . 1 1 65 65 ALA HB3 H 1 0.687 0.002 . 1 . . . A 65 ALA HB3 . 18320 1 765 . 1 1 65 65 ALA C C 13 176.171 0.300 . 1 . . . A 65 ALA C . 18320 1 766 . 1 1 65 65 ALA CA C 13 50.258 0.300 . 1 . . . A 65 ALA CA . 18320 1 767 . 1 1 65 65 ALA CB C 13 20.725 0.300 . 1 . . . A 65 ALA CB . 18320 1 768 . 1 1 65 65 ALA N N 15 123.625 0.300 . 1 . . . A 65 ALA N . 18320 1 769 . 1 1 66 66 SER H H 1 8.722 0.002 . 1 . . . A 66 SER H . 18320 1 770 . 1 1 66 66 SER HA H 1 4.431 0.002 . 1 . . . A 66 SER HA . 18320 1 771 . 1 1 66 66 SER HB2 H 1 3.512 0.002 . 2 . . . A 66 SER HB2 . 18320 1 772 . 1 1 66 66 SER HB3 H 1 3.611 0.002 . 2 . . . A 66 SER HB3 . 18320 1 773 . 1 1 66 66 SER C C 13 174.716 0.300 . 1 . . . A 66 SER C . 18320 1 774 . 1 1 66 66 SER CA C 13 59.415 0.300 . 1 . . . A 66 SER CA . 18320 1 775 . 1 1 66 66 SER CB C 13 64.509 0.300 . 1 . . . A 66 SER CB . 18320 1 776 . 1 1 66 66 SER N N 15 114.972 0.300 . 1 . . . A 66 SER N . 18320 1 777 . 1 1 67 67 TYR H H 1 6.904 0.002 . 1 . . . A 67 TYR H . 18320 1 778 . 1 1 67 67 TYR HA H 1 5.009 0.002 . 1 . . . A 67 TYR HA . 18320 1 779 . 1 1 67 67 TYR HB2 H 1 2.454 0.002 . 2 . . . A 67 TYR HB2 . 18320 1 780 . 1 1 67 67 TYR HB3 H 1 2.954 0.002 . 2 . . . A 67 TYR HB3 . 18320 1 781 . 1 1 67 67 TYR HD1 H 1 6.737 0.002 . 3 . . . A 67 TYR HD1 . 18320 1 782 . 1 1 67 67 TYR HD2 H 1 6.737 0.002 . 3 . . . A 67 TYR HD2 . 18320 1 783 . 1 1 67 67 TYR HE1 H 1 6.516 0.002 . 3 . . . A 67 TYR HE1 . 18320 1 784 . 1 1 67 67 TYR HE2 H 1 6.516 0.002 . 3 . . . A 67 TYR HE2 . 18320 1 785 . 1 1 67 67 TYR C C 13 172.925 0.300 . 1 . . . A 67 TYR C . 18320 1 786 . 1 1 67 67 TYR CA C 13 56.689 0.300 . 1 . . . A 67 TYR CA . 18320 1 787 . 1 1 67 67 TYR CB C 13 41.056 0.300 . 1 . . . A 67 TYR CB . 18320 1 788 . 1 1 67 67 TYR CD2 C 13 133.230 0.300 . 3 . . . A 67 TYR CD2 . 18320 1 789 . 1 1 67 67 TYR CE2 C 13 117.756 0.300 . 3 . . . A 67 TYR CE2 . 18320 1 790 . 1 1 67 67 TYR N N 15 114.592 0.300 . 1 . . . A 67 TYR N . 18320 1 791 . 1 1 68 68 ILE H H 1 8.740 0.002 . 1 . . . A 68 ILE H . 18320 1 792 . 1 1 68 68 ILE HA H 1 5.028 0.002 . 1 . . . A 68 ILE HA . 18320 1 793 . 1 1 68 68 ILE HB H 1 1.726 0.002 . 1 . . . A 68 ILE HB . 18320 1 794 . 1 1 68 68 ILE HG12 H 1 0.897 0.002 . 2 . . . A 68 ILE HG12 . 18320 1 795 . 1 1 68 68 ILE HG13 H 1 1.612 0.002 . 2 . . . A 68 ILE HG13 . 18320 1 796 . 1 1 68 68 ILE HG21 H 1 1.283 0.002 . 1 . . . A 68 ILE HG21 . 18320 1 797 . 1 1 68 68 ILE HG22 H 1 1.283 0.002 . 1 . . . A 68 ILE HG22 . 18320 1 798 . 1 1 68 68 ILE HG23 H 1 1.283 0.002 . 1 . . . A 68 ILE HG23 . 18320 1 799 . 1 1 68 68 ILE HD11 H 1 0.732 0.002 . 1 . . . A 68 ILE HD11 . 18320 1 800 . 1 1 68 68 ILE HD12 H 1 0.732 0.002 . 1 . . . A 68 ILE HD12 . 18320 1 801 . 1 1 68 68 ILE HD13 H 1 0.732 0.002 . 1 . . . A 68 ILE HD13 . 18320 1 802 . 1 1 68 68 ILE C C 13 173.774 0.300 . 1 . . . A 68 ILE C . 18320 1 803 . 1 1 68 68 ILE CA C 13 59.757 0.300 . 1 . . . A 68 ILE CA . 18320 1 804 . 1 1 68 68 ILE CB C 13 40.456 0.300 . 1 . . . A 68 ILE CB . 18320 1 805 . 1 1 68 68 ILE CG1 C 13 27.800 0.300 . 1 . . . A 68 ILE CG1 . 18320 1 806 . 1 1 68 68 ILE CG2 C 13 20.391 0.300 . 1 . . . A 68 ILE CG2 . 18320 1 807 . 1 1 68 68 ILE CD1 C 13 14.271 0.300 . 1 . . . A 68 ILE CD1 . 18320 1 808 . 1 1 68 68 ILE N N 15 118.500 0.300 . 1 . . . A 68 ILE N . 18320 1 809 . 1 1 69 69 TYR H H 1 9.214 0.002 . 1 . . . A 69 TYR H . 18320 1 810 . 1 1 69 69 TYR HA H 1 5.947 0.002 . 1 . . . A 69 TYR HA . 18320 1 811 . 1 1 69 69 TYR HB2 H 1 2.956 0.002 . 2 . . . A 69 TYR HB2 . 18320 1 812 . 1 1 69 69 TYR HB3 H 1 2.583 0.002 . 2 . . . A 69 TYR HB3 . 18320 1 813 . 1 1 69 69 TYR HD1 H 1 7.051 0.002 . 3 . . . A 69 TYR HD1 . 18320 1 814 . 1 1 69 69 TYR HD2 H 1 7.051 0.002 . 3 . . . A 69 TYR HD2 . 18320 1 815 . 1 1 69 69 TYR HE1 H 1 6.854 0.002 . 3 . . . A 69 TYR HE1 . 18320 1 816 . 1 1 69 69 TYR HE2 H 1 6.854 0.002 . 3 . . . A 69 TYR HE2 . 18320 1 817 . 1 1 69 69 TYR C C 13 173.785 0.300 . 1 . . . A 69 TYR C . 18320 1 818 . 1 1 69 69 TYR CA C 13 55.555 0.300 . 1 . . . A 69 TYR CA . 18320 1 819 . 1 1 69 69 TYR CB C 13 43.769 0.300 . 1 . . . A 69 TYR CB . 18320 1 820 . 1 1 69 69 TYR CE2 C 13 118.833 0.300 . 3 . . . A 69 TYR CE2 . 18320 1 821 . 1 1 69 69 TYR N N 15 128.743 0.300 . 1 . . . A 69 TYR N . 18320 1 822 . 1 1 70 70 ARG H H 1 8.670 0.002 . 1 . . . A 70 ARG H . 18320 1 823 . 1 1 70 70 ARG HA H 1 5.215 0.002 . 1 . . . A 70 ARG HA . 18320 1 824 . 1 1 70 70 ARG HB2 H 1 0.623 0.002 . 2 . . . A 70 ARG HB2 . 18320 1 825 . 1 1 70 70 ARG HB3 H 1 0.609 0.002 . 2 . . . A 70 ARG HB3 . 18320 1 826 . 1 1 70 70 ARG HG2 H 1 0.555 0.002 . 2 . . . A 70 ARG HG2 . 18320 1 827 . 1 1 70 70 ARG HG3 H 1 1.030 0.002 . 2 . . . A 70 ARG HG3 . 18320 1 828 . 1 1 70 70 ARG C C 13 172.672 0.300 . 1 . . . A 70 ARG C . 18320 1 829 . 1 1 70 70 ARG CA C 13 53.893 0.300 . 1 . . . A 70 ARG CA . 18320 1 830 . 1 1 70 70 ARG CB C 13 34.568 0.300 . 1 . . . A 70 ARG CB . 18320 1 831 . 1 1 70 70 ARG CD C 13 43.875 0.300 . 1 . . . A 70 ARG CD . 18320 1 832 . 1 1 70 70 ARG N N 15 122.730 0.300 . 1 . . . A 70 ARG N . 18320 1 833 . 1 1 71 71 GLU H H 1 8.130 0.002 . 1 . . . A 71 GLU H . 18320 1 834 . 1 1 71 71 GLU HA H 1 4.787 0.002 . 1 . . . A 71 GLU HA . 18320 1 835 . 1 1 71 71 GLU HB2 H 1 1.798 0.002 . 2 . . . A 71 GLU HB2 . 18320 1 836 . 1 1 71 71 GLU HB3 H 1 1.942 0.002 . 2 . . . A 71 GLU HB3 . 18320 1 837 . 1 1 71 71 GLU HG2 H 1 1.998 0.002 . 2 . . . A 71 GLU HG2 . 18320 1 838 . 1 1 71 71 GLU HG3 H 1 1.998 0.002 . 2 . . . A 71 GLU HG3 . 18320 1 839 . 1 1 71 71 GLU C C 13 173.914 0.300 . 1 . . . A 71 GLU C . 18320 1 840 . 1 1 71 71 GLU CA C 13 54.946 0.300 . 1 . . . A 71 GLU CA . 18320 1 841 . 1 1 71 71 GLU CB C 13 33.208 0.300 . 1 . . . A 71 GLU CB . 18320 1 842 . 1 1 71 71 GLU CG C 13 35.226 0.300 . 1 . . . A 71 GLU CG . 18320 1 843 . 1 1 71 71 GLU N N 15 115.712 0.300 . 1 . . . A 71 GLU N . 18320 1 844 . 1 1 72 72 LYS H H 1 8.631 0.002 . 1 . . . A 72 LYS H . 18320 1 845 . 1 1 72 72 LYS HA H 1 4.271 0.002 . 1 . . . A 72 LYS HA . 18320 1 846 . 1 1 72 72 LYS HB2 H 1 1.148 0.002 . 2 . . . A 72 LYS HB2 . 18320 1 847 . 1 1 72 72 LYS HB3 H 1 0.790 0.002 . 2 . . . A 72 LYS HB3 . 18320 1 848 . 1 1 72 72 LYS HG2 H 1 0.119 0.002 . 2 . . . A 72 LYS HG2 . 18320 1 849 . 1 1 72 72 LYS HG3 H 1 0.119 0.002 . 2 . . . A 72 LYS HG3 . 18320 1 850 . 1 1 72 72 LYS HD2 H 1 0.686 0.002 . 2 . . . A 72 LYS HD2 . 18320 1 851 . 1 1 72 72 LYS HD3 H 1 0.751 0.002 . 2 . . . A 72 LYS HD3 . 18320 1 852 . 1 1 72 72 LYS HE2 H 1 1.811 0.002 . 2 . . . A 72 LYS HE2 . 18320 1 853 . 1 1 72 72 LYS HE3 H 1 1.914 0.002 . 2 . . . A 72 LYS HE3 . 18320 1 854 . 1 1 72 72 LYS C C 13 176.524 0.300 . 1 . . . A 72 LYS C . 18320 1 855 . 1 1 72 72 LYS CA C 13 56.247 0.300 . 1 . . . A 72 LYS CA . 18320 1 856 . 1 1 72 72 LYS CB C 13 32.695 0.300 . 1 . . . A 72 LYS CB . 18320 1 857 . 1 1 72 72 LYS CG C 13 24.345 0.300 . 1 . . . A 72 LYS CG . 18320 1 858 . 1 1 72 72 LYS CD C 13 28.482 0.300 . 1 . . . A 72 LYS CD . 18320 1 859 . 1 1 72 72 LYS CE C 13 41.009 0.300 . 1 . . . A 72 LYS CE . 18320 1 860 . 1 1 72 72 LYS N N 15 125.480 0.300 . 1 . . . A 72 LYS N . 18320 1 861 . 1 1 73 73 VAL H H 1 8.097 0.002 . 1 . . . A 73 VAL H . 18320 1 862 . 1 1 73 73 VAL HA H 1 4.605 0.002 . 1 . . . A 73 VAL HA . 18320 1 863 . 1 1 73 73 VAL HB H 1 2.122 0.002 . 1 . . . A 73 VAL HB . 18320 1 864 . 1 1 73 73 VAL HG11 H 1 0.892 0.002 . 2 . . . A 73 VAL HG11 . 18320 1 865 . 1 1 73 73 VAL HG12 H 1 0.892 0.002 . 2 . . . A 73 VAL HG12 . 18320 1 866 . 1 1 73 73 VAL HG13 H 1 0.892 0.002 . 2 . . . A 73 VAL HG13 . 18320 1 867 . 1 1 73 73 VAL HG21 H 1 0.875 0.002 . 2 . . . A 73 VAL HG21 . 18320 1 868 . 1 1 73 73 VAL HG22 H 1 0.875 0.002 . 2 . . . A 73 VAL HG22 . 18320 1 869 . 1 1 73 73 VAL HG23 H 1 0.875 0.002 . 2 . . . A 73 VAL HG23 . 18320 1 870 . 1 1 73 73 VAL C C 13 174.990 0.300 . 1 . . . A 73 VAL C . 18320 1 871 . 1 1 73 73 VAL CA C 13 59.921 0.300 . 1 . . . A 73 VAL CA . 18320 1 872 . 1 1 73 73 VAL CB C 13 36.292 0.300 . 1 . . . A 73 VAL CB . 18320 1 873 . 1 1 73 73 VAL CG1 C 13 22.283 0.300 . 2 . . . A 73 VAL CG1 . 18320 1 874 . 1 1 73 73 VAL CG2 C 13 21.362 0.300 . 2 . . . A 73 VAL CG2 . 18320 1 875 . 1 1 73 73 VAL N N 15 118.481 0.300 . 1 . . . A 73 VAL N . 18320 1 876 . 1 1 74 74 GLU H H 1 8.321 0.002 . 1 . . . A 74 GLU H . 18320 1 877 . 1 1 74 74 GLU HA H 1 4.208 0.002 . 1 . . . A 74 GLU HA . 18320 1 878 . 1 1 74 74 GLU HB2 H 1 2.092 0.002 . 2 . . . A 74 GLU HB2 . 18320 1 879 . 1 1 74 74 GLU HB3 H 1 2.016 0.002 . 2 . . . A 74 GLU HB3 . 18320 1 880 . 1 1 74 74 GLU HG2 H 1 2.387 0.002 . 2 . . . A 74 GLU HG2 . 18320 1 881 . 1 1 74 74 GLU HG3 H 1 2.156 0.002 . 2 . . . A 74 GLU HG3 . 18320 1 882 . 1 1 74 74 GLU C C 13 177.494 0.300 . 1 . . . A 74 GLU C . 18320 1 883 . 1 1 74 74 GLU CA C 13 59.862 0.300 . 1 . . . A 74 GLU CA . 18320 1 884 . 1 1 74 74 GLU CB C 13 31.060 0.300 . 1 . . . A 74 GLU CB . 18320 1 885 . 1 1 74 74 GLU CG C 13 36.547 0.300 . 1 . . . A 74 GLU CG . 18320 1 886 . 1 1 74 74 GLU N N 15 120.820 0.300 . 1 . . . A 74 GLU N . 18320 1 887 . 1 1 75 75 LYS H H 1 7.897 0.002 . 1 . . . A 75 LYS H . 18320 1 888 . 1 1 75 75 LYS HA H 1 5.233 0.002 . 1 . . . A 75 LYS HA . 18320 1 889 . 1 1 75 75 LYS HB2 H 1 1.667 0.002 . 2 . . . A 75 LYS HB2 . 18320 1 890 . 1 1 75 75 LYS HB3 H 1 1.667 0.002 . 2 . . . A 75 LYS HB3 . 18320 1 891 . 1 1 75 75 LYS HG2 H 1 1.369 0.002 . 2 . . . A 75 LYS HG2 . 18320 1 892 . 1 1 75 75 LYS HG3 H 1 1.314 0.002 . 2 . . . A 75 LYS HG3 . 18320 1 893 . 1 1 75 75 LYS HD2 H 1 1.605 0.002 . 2 . . . A 75 LYS HD2 . 18320 1 894 . 1 1 75 75 LYS HD3 H 1 1.605 0.002 . 2 . . . A 75 LYS HD3 . 18320 1 895 . 1 1 75 75 LYS HE2 H 1 2.859 0.002 . 2 . . . A 75 LYS HE2 . 18320 1 896 . 1 1 75 75 LYS HE3 H 1 2.859 0.002 . 2 . . . A 75 LYS HE3 . 18320 1 897 . 1 1 75 75 LYS C C 13 175.100 0.300 . 1 . . . A 75 LYS C . 18320 1 898 . 1 1 75 75 LYS CA C 13 55.133 0.300 . 1 . . . A 75 LYS CA . 18320 1 899 . 1 1 75 75 LYS CB C 13 36.248 0.300 . 1 . . . A 75 LYS CB . 18320 1 900 . 1 1 75 75 LYS CG C 13 25.429 0.300 . 1 . . . A 75 LYS CG . 18320 1 901 . 1 1 75 75 LYS CD C 13 29.119 0.300 . 1 . . . A 75 LYS CD . 18320 1 902 . 1 1 75 75 LYS CE C 13 42.226 0.300 . 1 . . . A 75 LYS CE . 18320 1 903 . 1 1 75 75 LYS N N 15 117.911 0.300 . 1 . . . A 75 LYS N . 18320 1 904 . 1 1 76 76 LEU H H 1 8.211 0.002 . 1 . . . A 76 LEU H . 18320 1 905 . 1 1 76 76 LEU HA H 1 4.502 0.002 . 1 . . . A 76 LEU HA . 18320 1 906 . 1 1 76 76 LEU HB2 H 1 1.165 0.002 . 2 . . . A 76 LEU HB2 . 18320 1 907 . 1 1 76 76 LEU HB3 H 1 1.003 0.002 . 2 . . . A 76 LEU HB3 . 18320 1 908 . 1 1 76 76 LEU HG H 1 0.814 0.002 . 1 . . . A 76 LEU HG . 18320 1 909 . 1 1 76 76 LEU HD11 H 1 -0.328 0.002 . 2 . . . A 76 LEU HD11 . 18320 1 910 . 1 1 76 76 LEU HD12 H 1 -0.328 0.002 . 2 . . . A 76 LEU HD12 . 18320 1 911 . 1 1 76 76 LEU HD13 H 1 -0.328 0.002 . 2 . . . A 76 LEU HD13 . 18320 1 912 . 1 1 76 76 LEU HD21 H 1 0.277 0.002 . 2 . . . A 76 LEU HD21 . 18320 1 913 . 1 1 76 76 LEU HD22 H 1 0.277 0.002 . 2 . . . A 76 LEU HD22 . 18320 1 914 . 1 1 76 76 LEU HD23 H 1 0.277 0.002 . 2 . . . A 76 LEU HD23 . 18320 1 915 . 1 1 76 76 LEU C C 13 174.565 0.300 . 1 . . . A 76 LEU C . 18320 1 916 . 1 1 76 76 LEU CA C 13 52.510 0.300 . 1 . . . A 76 LEU CA . 18320 1 917 . 1 1 76 76 LEU CB C 13 45.587 0.300 . 1 . . . A 76 LEU CB . 18320 1 918 . 1 1 76 76 LEU CG C 13 26.416 0.300 . 1 . . . A 76 LEU CG . 18320 1 919 . 1 1 76 76 LEU CD1 C 13 25.671 0.300 . 2 . . . A 76 LEU CD1 . 18320 1 920 . 1 1 76 76 LEU CD2 C 13 23.548 0.300 . 2 . . . A 76 LEU CD2 . 18320 1 921 . 1 1 76 76 LEU N N 15 116.247 0.300 . 1 . . . A 76 LEU N . 18320 1 922 . 1 1 77 77 ILE H H 1 9.119 0.002 . 1 . . . A 77 ILE H . 18320 1 923 . 1 1 77 77 ILE HA H 1 4.515 0.002 . 1 . . . A 77 ILE HA . 18320 1 924 . 1 1 77 77 ILE HB H 1 1.701 0.002 . 1 . . . A 77 ILE HB . 18320 1 925 . 1 1 77 77 ILE HG12 H 1 1.153 0.002 . 2 . . . A 77 ILE HG12 . 18320 1 926 . 1 1 77 77 ILE HG13 H 1 1.153 0.002 . 2 . . . A 77 ILE HG13 . 18320 1 927 . 1 1 77 77 ILE HG21 H 1 0.653 0.002 . 1 . . . A 77 ILE HG21 . 18320 1 928 . 1 1 77 77 ILE HG22 H 1 0.653 0.002 . 1 . . . A 77 ILE HG22 . 18320 1 929 . 1 1 77 77 ILE HG23 H 1 0.653 0.002 . 1 . . . A 77 ILE HG23 . 18320 1 930 . 1 1 77 77 ILE HD11 H 1 0.693 0.002 . 1 . . . A 77 ILE HD11 . 18320 1 931 . 1 1 77 77 ILE HD12 H 1 0.693 0.002 . 1 . . . A 77 ILE HD12 . 18320 1 932 . 1 1 77 77 ILE HD13 H 1 0.693 0.002 . 1 . . . A 77 ILE HD13 . 18320 1 933 . 1 1 77 77 ILE C C 13 174.611 0.300 . 1 . . . A 77 ILE C . 18320 1 934 . 1 1 77 77 ILE CA C 13 59.306 0.300 . 1 . . . A 77 ILE CA . 18320 1 935 . 1 1 77 77 ILE CB C 13 37.990 0.300 . 1 . . . A 77 ILE CB . 18320 1 936 . 1 1 77 77 ILE CG1 C 13 27.995 0.300 . 1 . . . A 77 ILE CG1 . 18320 1 937 . 1 1 77 77 ILE CG2 C 13 17.477 0.300 . 1 . . . A 77 ILE CG2 . 18320 1 938 . 1 1 77 77 ILE CD1 C 13 11.302 0.300 . 1 . . . A 77 ILE CD1 . 18320 1 939 . 1 1 77 77 ILE N N 15 119.377 0.300 . 1 . . . A 77 ILE N . 18320 1 940 . 1 1 78 78 GLU H H 1 9.290 0.002 . 1 . . . A 78 GLU H . 18320 1 941 . 1 1 78 78 GLU HA H 1 4.984 0.002 . 1 . . . A 78 GLU HA . 18320 1 942 . 1 1 78 78 GLU HB2 H 1 2.068 0.002 . 2 . . . A 78 GLU HB2 . 18320 1 943 . 1 1 78 78 GLU HB3 H 1 1.557 0.002 . 2 . . . A 78 GLU HB3 . 18320 1 944 . 1 1 78 78 GLU HG2 H 1 1.823 0.002 . 2 . . . A 78 GLU HG2 . 18320 1 945 . 1 1 78 78 GLU HG3 H 1 1.732 0.002 . 2 . . . A 78 GLU HG3 . 18320 1 946 . 1 1 78 78 GLU C C 13 175.253 0.300 . 1 . . . A 78 GLU C . 18320 1 947 . 1 1 78 78 GLU CA C 13 54.562 0.300 . 1 . . . A 78 GLU CA . 18320 1 948 . 1 1 78 78 GLU CB C 13 32.412 0.300 . 1 . . . A 78 GLU CB . 18320 1 949 . 1 1 78 78 GLU CG C 13 37.111 0.300 . 1 . . . A 78 GLU CG . 18320 1 950 . 1 1 78 78 GLU N N 15 126.373 0.300 . 1 . . . A 78 GLU N . 18320 1 951 . 1 1 79 79 ILE H H 1 9.425 0.002 . 1 . . . A 79 ILE H . 18320 1 952 . 1 1 79 79 ILE HA H 1 4.494 0.002 . 1 . . . A 79 ILE HA . 18320 1 953 . 1 1 79 79 ILE HB H 1 1.908 0.002 . 1 . . . A 79 ILE HB . 18320 1 954 . 1 1 79 79 ILE HG12 H 1 1.671 0.002 . 2 . . . A 79 ILE HG12 . 18320 1 955 . 1 1 79 79 ILE HG13 H 1 1.671 0.002 . 2 . . . A 79 ILE HG13 . 18320 1 956 . 1 1 79 79 ILE HG21 H 1 0.812 0.002 . 1 . . . A 79 ILE HG21 . 18320 1 957 . 1 1 79 79 ILE HG22 H 1 0.812 0.002 . 1 . . . A 79 ILE HG22 . 18320 1 958 . 1 1 79 79 ILE HG23 H 1 0.812 0.002 . 1 . . . A 79 ILE HG23 . 18320 1 959 . 1 1 79 79 ILE HD11 H 1 0.860 0.002 . 1 . . . A 79 ILE HD11 . 18320 1 960 . 1 1 79 79 ILE HD12 H 1 0.860 0.002 . 1 . . . A 79 ILE HD12 . 18320 1 961 . 1 1 79 79 ILE HD13 H 1 0.860 0.002 . 1 . . . A 79 ILE HD13 . 18320 1 962 . 1 1 79 79 ILE C C 13 174.702 0.300 . 1 . . . A 79 ILE C . 18320 1 963 . 1 1 79 79 ILE CA C 13 60.736 0.300 . 1 . . . A 79 ILE CA . 18320 1 964 . 1 1 79 79 ILE CB C 13 39.745 0.300 . 1 . . . A 79 ILE CB . 18320 1 965 . 1 1 79 79 ILE CG1 C 13 28.120 0.300 . 1 . . . A 79 ILE CG1 . 18320 1 966 . 1 1 79 79 ILE CG2 C 13 18.790 0.300 . 1 . . . A 79 ILE CG2 . 18320 1 967 . 1 1 79 79 ILE CD1 C 13 14.442 0.300 . 1 . . . A 79 ILE CD1 . 18320 1 968 . 1 1 79 79 ILE N N 15 131.308 0.300 . 1 . . . A 79 ILE N . 18320 1 969 . 1 1 80 80 LYS H H 1 8.694 0.002 . 1 . . . A 80 LYS H . 18320 1 970 . 1 1 80 80 LYS HA H 1 4.706 0.002 . 1 . . . A 80 LYS HA . 18320 1 971 . 1 1 80 80 LYS HB2 H 1 1.845 0.002 . 2 . . . A 80 LYS HB2 . 18320 1 972 . 1 1 80 80 LYS HB3 H 1 1.606 0.002 . 2 . . . A 80 LYS HB3 . 18320 1 973 . 1 1 80 80 LYS HG2 H 1 1.299 0.002 . 2 . . . A 80 LYS HG2 . 18320 1 974 . 1 1 80 80 LYS HG3 H 1 1.242 0.002 . 2 . . . A 80 LYS HG3 . 18320 1 975 . 1 1 80 80 LYS HD2 H 1 1.450 0.002 . 2 . . . A 80 LYS HD2 . 18320 1 976 . 1 1 80 80 LYS HD3 H 1 1.513 0.002 . 2 . . . A 80 LYS HD3 . 18320 1 977 . 1 1 80 80 LYS HE2 H 1 2.806 0.002 . 2 . . . A 80 LYS HE2 . 18320 1 978 . 1 1 80 80 LYS HE3 H 1 2.806 0.002 . 2 . . . A 80 LYS HE3 . 18320 1 979 . 1 1 80 80 LYS C C 13 175.915 0.300 . 1 . . . A 80 LYS C . 18320 1 980 . 1 1 80 80 LYS CA C 13 55.745 0.300 . 1 . . . A 80 LYS CA . 18320 1 981 . 1 1 80 80 LYS CB C 13 33.514 0.300 . 1 . . . A 80 LYS CB . 18320 1 982 . 1 1 80 80 LYS CG C 13 25.102 0.300 . 1 . . . A 80 LYS CG . 18320 1 983 . 1 1 80 80 LYS CD C 13 28.895 0.300 . 1 . . . A 80 LYS CD . 18320 1 984 . 1 1 80 80 LYS CE C 13 41.954 0.300 . 1 . . . A 80 LYS CE . 18320 1 985 . 1 1 80 80 LYS N N 15 127.244 0.300 . 1 . . . A 80 LYS N . 18320 1 986 . 1 1 81 81 LEU H H 1 8.525 0.002 . 1 . . . A 81 LEU H . 18320 1 987 . 1 1 81 81 LEU HA H 1 5.339 0.002 . 1 . . . A 81 LEU HA . 18320 1 988 . 1 1 81 81 LEU HB2 H 1 2.018 0.002 . 2 . . . A 81 LEU HB2 . 18320 1 989 . 1 1 81 81 LEU HB3 H 1 1.625 0.002 . 2 . . . A 81 LEU HB3 . 18320 1 990 . 1 1 81 81 LEU HG H 1 1.688 0.002 . 1 . . . A 81 LEU HG . 18320 1 991 . 1 1 81 81 LEU HD11 H 1 0.609 0.002 . 2 . . . A 81 LEU HD11 . 18320 1 992 . 1 1 81 81 LEU HD12 H 1 0.609 0.002 . 2 . . . A 81 LEU HD12 . 18320 1 993 . 1 1 81 81 LEU HD13 H 1 0.609 0.002 . 2 . . . A 81 LEU HD13 . 18320 1 994 . 1 1 81 81 LEU HD21 H 1 0.698 0.002 . 2 . . . A 81 LEU HD21 . 18320 1 995 . 1 1 81 81 LEU HD22 H 1 0.698 0.002 . 2 . . . A 81 LEU HD22 . 18320 1 996 . 1 1 81 81 LEU HD23 H 1 0.698 0.002 . 2 . . . A 81 LEU HD23 . 18320 1 997 . 1 1 81 81 LEU C C 13 180.194 0.300 . 1 . . . A 81 LEU C . 18320 1 998 . 1 1 81 81 LEU CA C 13 53.341 0.300 . 1 . . . A 81 LEU CA . 18320 1 999 . 1 1 81 81 LEU CB C 13 43.783 0.300 . 1 . . . A 81 LEU CB . 18320 1 1000 . 1 1 81 81 LEU CG C 13 27.163 0.300 . 1 . . . A 81 LEU CG . 18320 1 1001 . 1 1 81 81 LEU CD1 C 13 25.457 0.300 . 2 . . . A 81 LEU CD1 . 18320 1 1002 . 1 1 81 81 LEU CD2 C 13 23.948 0.300 . 2 . . . A 81 LEU CD2 . 18320 1 1003 . 1 1 81 81 LEU N N 15 122.828 0.300 . 1 . . . A 81 LEU N . 18320 1 1004 . 1 1 82 82 SER H H 1 9.685 0.002 . 1 . . . A 82 SER H . 18320 1 1005 . 1 1 82 82 SER HA H 1 4.136 0.002 . 1 . . . A 82 SER HA . 18320 1 1006 . 1 1 82 82 SER HB2 H 1 4.052 0.002 . 2 . . . A 82 SER HB2 . 18320 1 1007 . 1 1 82 82 SER HB3 H 1 3.947 0.002 . 2 . . . A 82 SER HB3 . 18320 1 1008 . 1 1 82 82 SER C C 13 174.725 0.300 . 1 . . . A 82 SER C . 18320 1 1009 . 1 1 82 82 SER CA C 13 61.236 0.300 . 1 . . . A 82 SER CA . 18320 1 1010 . 1 1 82 82 SER CB C 13 62.671 0.300 . 1 . . . A 82 SER CB . 18320 1 1011 . 1 1 82 82 SER N N 15 120.136 0.300 . 1 . . . A 82 SER N . 18320 1 1012 . 1 1 83 83 SER H H 1 7.569 0.002 . 1 . . . A 83 SER H . 18320 1 1013 . 1 1 83 83 SER HA H 1 4.285 0.002 . 1 . . . A 83 SER HA . 18320 1 1014 . 1 1 83 83 SER HB2 H 1 4.026 0.002 . 2 . . . A 83 SER HB2 . 18320 1 1015 . 1 1 83 83 SER HB3 H 1 3.926 0.002 . 2 . . . A 83 SER HB3 . 18320 1 1016 . 1 1 83 83 SER C C 13 175.532 0.300 . 1 . . . A 83 SER C . 18320 1 1017 . 1 1 83 83 SER CA C 13 57.503 0.300 . 1 . . . A 83 SER CA . 18320 1 1018 . 1 1 83 83 SER CB C 13 63.300 0.300 . 1 . . . A 83 SER CB . 18320 1 1019 . 1 1 83 83 SER N N 15 113.367 0.300 . 1 . . . A 83 SER N . 18320 1 1020 . 1 1 84 84 GLY H H 1 8.071 0.002 . 1 . . . A 84 GLY H . 18320 1 1021 . 1 1 84 84 GLY HA2 H 1 4.312 0.002 . 2 . . . A 84 GLY HA2 . 18320 1 1022 . 1 1 84 84 GLY HA3 H 1 3.550 0.002 . 2 . . . A 84 GLY HA3 . 18320 1 1023 . 1 1 84 84 GLY C C 13 173.852 0.300 . 1 . . . A 84 GLY C . 18320 1 1024 . 1 1 84 84 GLY CA C 13 44.914 0.300 . 1 . . . A 84 GLY CA . 18320 1 1025 . 1 1 84 84 GLY N N 15 109.143 0.300 . 1 . . . A 84 GLY N . 18320 1 1026 . 1 1 85 85 TYR H H 1 6.740 0.002 . 1 . . . A 85 TYR H . 18320 1 1027 . 1 1 85 85 TYR HA H 1 4.666 0.002 . 1 . . . A 85 TYR HA . 18320 1 1028 . 1 1 85 85 TYR HB2 H 1 2.946 0.002 . 2 . . . A 85 TYR HB2 . 18320 1 1029 . 1 1 85 85 TYR HB3 H 1 2.546 0.002 . 2 . . . A 85 TYR HB3 . 18320 1 1030 . 1 1 85 85 TYR HD1 H 1 7.081 0.002 . 3 . . . A 85 TYR HD1 . 18320 1 1031 . 1 1 85 85 TYR HD2 H 1 7.081 0.002 . 3 . . . A 85 TYR HD2 . 18320 1 1032 . 1 1 85 85 TYR HE1 H 1 6.746 0.002 . 3 . . . A 85 TYR HE1 . 18320 1 1033 . 1 1 85 85 TYR HE2 H 1 6.746 0.002 . 3 . . . A 85 TYR HE2 . 18320 1 1034 . 1 1 85 85 TYR C C 13 173.825 0.300 . 1 . . . A 85 TYR C . 18320 1 1035 . 1 1 85 85 TYR CA C 13 57.055 0.300 . 1 . . . A 85 TYR CA . 18320 1 1036 . 1 1 85 85 TYR CB C 13 39.769 0.300 . 1 . . . A 85 TYR CB . 18320 1 1037 . 1 1 85 85 TYR CE1 C 13 118.176 0.300 . 3 . . . A 85 TYR CE1 . 18320 1 1038 . 1 1 85 85 TYR N N 15 119.419 0.300 . 1 . . . A 85 TYR N . 18320 1 1039 . 1 1 86 86 SER H H 1 8.166 0.002 . 1 . . . A 86 SER H . 18320 1 1040 . 1 1 86 86 SER HA H 1 5.298 0.002 . 1 . . . A 86 SER HA . 18320 1 1041 . 1 1 86 86 SER HB2 H 1 3.572 0.002 . 2 . . . A 86 SER HB2 . 18320 1 1042 . 1 1 86 86 SER HB3 H 1 3.583 0.002 . 2 . . . A 86 SER HB3 . 18320 1 1043 . 1 1 86 86 SER C C 13 172.621 0.300 . 1 . . . A 86 SER C . 18320 1 1044 . 1 1 86 86 SER CA C 13 56.852 0.300 . 1 . . . A 86 SER CA . 18320 1 1045 . 1 1 86 86 SER CB C 13 65.893 0.300 . 1 . . . A 86 SER CB . 18320 1 1046 . 1 1 86 86 SER N N 15 115.074 0.300 . 1 . . . A 86 SER N . 18320 1 1047 . 1 1 87 87 LEU H H 1 8.874 0.002 . 1 . . . A 87 LEU H . 18320 1 1048 . 1 1 87 87 LEU HA H 1 4.546 0.002 . 1 . . . A 87 LEU HA . 18320 1 1049 . 1 1 87 87 LEU HB2 H 1 1.596 0.002 . 2 . . . A 87 LEU HB2 . 18320 1 1050 . 1 1 87 87 LEU HB3 H 1 1.484 0.002 . 2 . . . A 87 LEU HB3 . 18320 1 1051 . 1 1 87 87 LEU HG H 1 1.535 0.002 . 1 . . . A 87 LEU HG . 18320 1 1052 . 1 1 87 87 LEU HD11 H 1 0.884 0.002 . 2 . . . A 87 LEU HD11 . 18320 1 1053 . 1 1 87 87 LEU HD12 H 1 0.884 0.002 . 2 . . . A 87 LEU HD12 . 18320 1 1054 . 1 1 87 87 LEU HD13 H 1 0.884 0.002 . 2 . . . A 87 LEU HD13 . 18320 1 1055 . 1 1 87 87 LEU HD21 H 1 0.872 0.002 . 2 . . . A 87 LEU HD21 . 18320 1 1056 . 1 1 87 87 LEU HD22 H 1 0.872 0.002 . 2 . . . A 87 LEU HD22 . 18320 1 1057 . 1 1 87 87 LEU HD23 H 1 0.872 0.002 . 2 . . . A 87 LEU HD23 . 18320 1 1058 . 1 1 87 87 LEU C C 13 172.624 0.300 . 1 . . . A 87 LEU C . 18320 1 1059 . 1 1 87 87 LEU CA C 13 54.054 0.300 . 1 . . . A 87 LEU CA . 18320 1 1060 . 1 1 87 87 LEU CB C 13 45.297 0.300 . 1 . . . A 87 LEU CB . 18320 1 1061 . 1 1 87 87 LEU CG C 13 27.287 0.300 . 1 . . . A 87 LEU CG . 18320 1 1062 . 1 1 87 87 LEU CD1 C 13 25.249 0.300 . 2 . . . A 87 LEU CD1 . 18320 1 1063 . 1 1 87 87 LEU CD2 C 13 24.014 0.300 . 2 . . . A 87 LEU CD2 . 18320 1 1064 . 1 1 87 87 LEU N N 15 124.037 0.300 . 1 . . . A 87 LEU N . 18320 1 1065 . 1 1 88 88 LYS H H 1 8.681 0.002 . 1 . . . A 88 LYS H . 18320 1 1066 . 1 1 88 88 LYS HA H 1 5.377 0.002 . 1 . . . A 88 LYS HA . 18320 1 1067 . 1 1 88 88 LYS HB2 H 1 1.780 0.002 . 2 . . . A 88 LYS HB2 . 18320 1 1068 . 1 1 88 88 LYS HB3 H 1 1.137 0.002 . 2 . . . A 88 LYS HB3 . 18320 1 1069 . 1 1 88 88 LYS HG2 H 1 1.300 0.002 . 2 . . . A 88 LYS HG2 . 18320 1 1070 . 1 1 88 88 LYS HG3 H 1 1.078 0.002 . 2 . . . A 88 LYS HG3 . 18320 1 1071 . 1 1 88 88 LYS HD2 H 1 1.636 0.002 . 2 . . . A 88 LYS HD2 . 18320 1 1072 . 1 1 88 88 LYS HD3 H 1 1.532 0.002 . 2 . . . A 88 LYS HD3 . 18320 1 1073 . 1 1 88 88 LYS HE2 H 1 2.871 0.002 . 2 . . . A 88 LYS HE2 . 18320 1 1074 . 1 1 88 88 LYS HE3 H 1 2.806 0.002 . 2 . . . A 88 LYS HE3 . 18320 1 1075 . 1 1 88 88 LYS C C 13 175.184 0.300 . 1 . . . A 88 LYS C . 18320 1 1076 . 1 1 88 88 LYS CA C 13 55.626 0.300 . 1 . . . A 88 LYS CA . 18320 1 1077 . 1 1 88 88 LYS CB C 13 33.740 0.300 . 1 . . . A 88 LYS CB . 18320 1 1078 . 1 1 88 88 LYS CG C 13 25.126 0.300 . 1 . . . A 88 LYS CG . 18320 1 1079 . 1 1 88 88 LYS CD C 13 29.394 0.300 . 1 . . . A 88 LYS CD . 18320 1 1080 . 1 1 88 88 LYS CE C 13 41.380 0.300 . 1 . . . A 88 LYS CE . 18320 1 1081 . 1 1 88 88 LYS N N 15 126.211 0.300 . 1 . . . A 88 LYS N . 18320 1 1082 . 1 1 89 89 VAL H H 1 8.614 0.002 . 1 . . . A 89 VAL H . 18320 1 1083 . 1 1 89 89 VAL HA H 1 5.316 0.002 . 1 . . . A 89 VAL HA . 18320 1 1084 . 1 1 89 89 VAL HB H 1 2.108 0.002 . 1 . . . A 89 VAL HB . 18320 1 1085 . 1 1 89 89 VAL HG11 H 1 0.486 0.002 . 2 . . . A 89 VAL HG11 . 18320 1 1086 . 1 1 89 89 VAL HG12 H 1 0.486 0.002 . 2 . . . A 89 VAL HG12 . 18320 1 1087 . 1 1 89 89 VAL HG13 H 1 0.486 0.002 . 2 . . . A 89 VAL HG13 . 18320 1 1088 . 1 1 89 89 VAL HG21 H 1 0.663 0.002 . 2 . . . A 89 VAL HG21 . 18320 1 1089 . 1 1 89 89 VAL HG22 H 1 0.663 0.002 . 2 . . . A 89 VAL HG22 . 18320 1 1090 . 1 1 89 89 VAL HG23 H 1 0.663 0.002 . 2 . . . A 89 VAL HG23 . 18320 1 1091 . 1 1 89 89 VAL C C 13 174.931 0.300 . 1 . . . A 89 VAL C . 18320 1 1092 . 1 1 89 89 VAL CA C 13 57.727 0.300 . 1 . . . A 89 VAL CA . 18320 1 1093 . 1 1 89 89 VAL CB C 13 37.167 0.300 . 1 . . . A 89 VAL CB . 18320 1 1094 . 1 1 89 89 VAL CG1 C 13 22.419 0.300 . 2 . . . A 89 VAL CG1 . 18320 1 1095 . 1 1 89 89 VAL CG2 C 13 18.476 0.300 . 2 . . . A 89 VAL CG2 . 18320 1 1096 . 1 1 89 89 VAL N N 15 113.995 0.300 . 1 . . . A 89 VAL N . 18320 1 1097 . 1 1 90 90 THR H H 1 8.329 0.002 . 1 . . . A 90 THR H . 18320 1 1098 . 1 1 90 90 THR HA H 1 4.356 0.002 . 1 . . . A 90 THR HA . 18320 1 1099 . 1 1 90 90 THR HB H 1 4.783 0.002 . 1 . . . A 90 THR HB . 18320 1 1100 . 1 1 90 90 THR HG21 H 1 1.341 0.002 . 1 . . . A 90 THR HG21 . 18320 1 1101 . 1 1 90 90 THR HG22 H 1 1.341 0.002 . 1 . . . A 90 THR HG22 . 18320 1 1102 . 1 1 90 90 THR HG23 H 1 1.341 0.002 . 1 . . . A 90 THR HG23 . 18320 1 1103 . 1 1 90 90 THR C C 13 173.950 0.300 . 1 . . . A 90 THR C . 18320 1 1104 . 1 1 90 90 THR CA C 13 60.794 0.300 . 1 . . . A 90 THR CA . 18320 1 1105 . 1 1 90 90 THR CB C 13 67.685 0.300 . 1 . . . A 90 THR CB . 18320 1 1106 . 1 1 90 90 THR CG2 C 13 25.532 0.300 . 1 . . . A 90 THR CG2 . 18320 1 1107 . 1 1 90 90 THR N N 15 110.896 0.300 . 1 . . . A 90 THR N . 18320 1 1108 . 1 1 91 91 PRO HA H 1 4.148 0.002 . 1 . . . A 91 PRO HA . 18320 1 1109 . 1 1 91 91 PRO HB2 H 1 2.306 0.002 . 2 . . . A 91 PRO HB2 . 18320 1 1110 . 1 1 91 91 PRO HB3 H 1 2.000 0.002 . 2 . . . A 91 PRO HB3 . 18320 1 1111 . 1 1 91 91 PRO HG2 H 1 2.196 0.002 . 2 . . . A 91 PRO HG2 . 18320 1 1112 . 1 1 91 91 PRO HG3 H 1 1.789 0.002 . 2 . . . A 91 PRO HG3 . 18320 1 1113 . 1 1 91 91 PRO HD2 H 1 3.698 0.002 . 2 . . . A 91 PRO HD2 . 18320 1 1114 . 1 1 91 91 PRO HD3 H 1 3.851 0.002 . 2 . . . A 91 PRO HD3 . 18320 1 1115 . 1 1 91 91 PRO C C 13 176.265 0.300 . 1 . . . A 91 PRO C . 18320 1 1116 . 1 1 91 91 PRO CA C 13 66.409 0.300 . 1 . . . A 91 PRO CA . 18320 1 1117 . 1 1 91 91 PRO CB C 13 32.068 0.300 . 1 . . . A 91 PRO CB . 18320 1 1118 . 1 1 91 91 PRO CG C 13 27.857 0.300 . 1 . . . A 91 PRO CG . 18320 1 1119 . 1 1 91 91 PRO CD C 13 50.480 0.300 . 1 . . . A 91 PRO CD . 18320 1 1120 . 1 1 92 92 SER H H 1 7.636 0.002 . 1 . . . A 92 SER H . 18320 1 1121 . 1 1 92 92 SER HA H 1 4.469 0.002 . 1 . . . A 92 SER HA . 18320 1 1122 . 1 1 92 92 SER HB2 H 1 4.012 0.002 . 2 . . . A 92 SER HB2 . 18320 1 1123 . 1 1 92 92 SER HB3 H 1 3.785 0.002 . 2 . . . A 92 SER HB3 . 18320 1 1124 . 1 1 92 92 SER C C 13 173.883 0.300 . 1 . . . A 92 SER C . 18320 1 1125 . 1 1 92 92 SER CA C 13 57.301 0.300 . 1 . . . A 92 SER CA . 18320 1 1126 . 1 1 92 92 SER CB C 13 63.470 0.300 . 1 . . . A 92 SER CB . 18320 1 1127 . 1 1 92 92 SER N N 15 106.310 0.300 . 1 . . . A 92 SER N . 18320 1 1128 . 1 1 93 93 HIS H H 1 8.035 0.002 . 1 . . . A 93 HIS H . 18320 1 1129 . 1 1 93 93 HIS HA H 1 4.383 0.002 . 1 . . . A 93 HIS HA . 18320 1 1130 . 1 1 93 93 HIS HB2 H 1 3.287 0.002 . 2 . . . A 93 HIS HB2 . 18320 1 1131 . 1 1 93 93 HIS HB3 H 1 3.287 0.002 . 2 . . . A 93 HIS HB3 . 18320 1 1132 . 1 1 93 93 HIS HD2 H 1 6.864 0.002 . 1 . . . A 93 HIS HD2 . 18320 1 1133 . 1 1 93 93 HIS C C 13 173.836 0.300 . 1 . . . A 93 HIS C . 18320 1 1134 . 1 1 93 93 HIS CA C 13 55.722 0.300 . 1 . . . A 93 HIS CA . 18320 1 1135 . 1 1 93 93 HIS CB C 13 33.069 0.300 . 1 . . . A 93 HIS CB . 18320 1 1136 . 1 1 93 93 HIS N N 15 127.779 0.300 . 1 . . . A 93 HIS N . 18320 1 1137 . 1 1 94 94 PRO HA H 1 4.266 0.002 . 1 . . . A 94 PRO HA . 18320 1 1138 . 1 1 94 94 PRO HB2 H 1 1.798 0.002 . 2 . . . A 94 PRO HB2 . 18320 1 1139 . 1 1 94 94 PRO HB3 H 1 1.150 0.002 . 2 . . . A 94 PRO HB3 . 18320 1 1140 . 1 1 94 94 PRO HG2 H 1 1.252 0.002 . 2 . . . A 94 PRO HG2 . 18320 1 1141 . 1 1 94 94 PRO HG3 H 1 0.661 0.002 . 2 . . . A 94 PRO HG3 . 18320 1 1142 . 1 1 94 94 PRO HD2 H 1 3.851 0.002 . 2 . . . A 94 PRO HD2 . 18320 1 1143 . 1 1 94 94 PRO HD3 H 1 2.200 0.002 . 2 . . . A 94 PRO HD3 . 18320 1 1144 . 1 1 94 94 PRO C C 13 175.370 0.300 . 1 . . . A 94 PRO C . 18320 1 1145 . 1 1 94 94 PRO CA C 13 62.587 0.300 . 1 . . . A 94 PRO CA . 18320 1 1146 . 1 1 94 94 PRO CB C 13 32.600 0.300 . 1 . . . A 94 PRO CB . 18320 1 1147 . 1 1 94 94 PRO CG C 13 27.598 0.300 . 1 . . . A 94 PRO CG . 18320 1 1148 . 1 1 94 94 PRO CD C 13 50.862 0.300 . 1 . . . A 94 PRO CD . 18320 1 1149 . 1 1 95 95 VAL H H 1 9.618 0.002 . 1 . . . A 95 VAL H . 18320 1 1150 . 1 1 95 95 VAL HA H 1 4.364 0.002 . 1 . . . A 95 VAL HA . 18320 1 1151 . 1 1 95 95 VAL HB H 1 2.018 0.002 . 1 . . . A 95 VAL HB . 18320 1 1152 . 1 1 95 95 VAL HG11 H 1 0.936 0.002 . 2 . . . A 95 VAL HG11 . 18320 1 1153 . 1 1 95 95 VAL HG12 H 1 0.936 0.002 . 2 . . . A 95 VAL HG12 . 18320 1 1154 . 1 1 95 95 VAL HG13 H 1 0.936 0.002 . 2 . . . A 95 VAL HG13 . 18320 1 1155 . 1 1 95 95 VAL HG21 H 1 1.077 0.002 . 2 . . . A 95 VAL HG21 . 18320 1 1156 . 1 1 95 95 VAL HG22 H 1 1.077 0.002 . 2 . . . A 95 VAL HG22 . 18320 1 1157 . 1 1 95 95 VAL HG23 H 1 1.077 0.002 . 2 . . . A 95 VAL HG23 . 18320 1 1158 . 1 1 95 95 VAL C C 13 174.196 0.300 . 1 . . . A 95 VAL C . 18320 1 1159 . 1 1 95 95 VAL CA C 13 61.493 0.300 . 1 . . . A 95 VAL CA . 18320 1 1160 . 1 1 95 95 VAL CB C 13 34.238 0.300 . 1 . . . A 95 VAL CB . 18320 1 1161 . 1 1 95 95 VAL CG1 C 13 22.654 0.300 . 2 . . . A 95 VAL CG1 . 18320 1 1162 . 1 1 95 95 VAL CG2 C 13 21.980 0.300 . 2 . . . A 95 VAL CG2 . 18320 1 1163 . 1 1 95 95 VAL N N 15 127.151 0.300 . 1 . . . A 95 VAL N . 18320 1 1164 . 1 1 96 96 LEU H H 1 8.563 0.002 . 1 . . . A 96 LEU H . 18320 1 1165 . 1 1 96 96 LEU HA H 1 3.929 0.002 . 1 . . . A 96 LEU HA . 18320 1 1166 . 1 1 96 96 LEU HB2 H 1 1.878 0.002 . 2 . . . A 96 LEU HB2 . 18320 1 1167 . 1 1 96 96 LEU HB3 H 1 0.243 0.002 . 2 . . . A 96 LEU HB3 . 18320 1 1168 . 1 1 96 96 LEU HG H 1 0.810 0.002 . 1 . . . A 96 LEU HG . 18320 1 1169 . 1 1 96 96 LEU HD11 H 1 0.334 0.002 . 2 . . . A 96 LEU HD11 . 18320 1 1170 . 1 1 96 96 LEU HD12 H 1 0.334 0.002 . 2 . . . A 96 LEU HD12 . 18320 1 1171 . 1 1 96 96 LEU HD13 H 1 0.334 0.002 . 2 . . . A 96 LEU HD13 . 18320 1 1172 . 1 1 96 96 LEU HD21 H 1 -0.564 0.002 . 2 . . . A 96 LEU HD21 . 18320 1 1173 . 1 1 96 96 LEU HD22 H 1 -0.564 0.002 . 2 . . . A 96 LEU HD22 . 18320 1 1174 . 1 1 96 96 LEU HD23 H 1 -0.564 0.002 . 2 . . . A 96 LEU HD23 . 18320 1 1175 . 1 1 96 96 LEU C C 13 174.013 0.300 . 1 . . . A 96 LEU C . 18320 1 1176 . 1 1 96 96 LEU CA C 13 54.977 0.300 . 1 . . . A 96 LEU CA . 18320 1 1177 . 1 1 96 96 LEU CB C 13 40.168 0.300 . 1 . . . A 96 LEU CB . 18320 1 1178 . 1 1 96 96 LEU CG C 13 26.200 0.300 . 1 . . . A 96 LEU CG . 18320 1 1179 . 1 1 96 96 LEU CD1 C 13 25.551 0.300 . 2 . . . A 96 LEU CD1 . 18320 1 1180 . 1 1 96 96 LEU CD2 C 13 20.762 0.300 . 2 . . . A 96 LEU CD2 . 18320 1 1181 . 1 1 96 96 LEU N N 15 130.214 0.300 . 1 . . . A 96 LEU N . 18320 1 1182 . 1 1 97 97 LEU H H 1 8.817 0.002 . 1 . . . A 97 LEU H . 18320 1 1183 . 1 1 97 97 LEU HA H 1 5.549 0.002 . 1 . . . A 97 LEU HA . 18320 1 1184 . 1 1 97 97 LEU HB2 H 1 1.431 0.002 . 2 . . . A 97 LEU HB2 . 18320 1 1185 . 1 1 97 97 LEU HB3 H 1 1.529 0.002 . 2 . . . A 97 LEU HB3 . 18320 1 1186 . 1 1 97 97 LEU HG H 1 1.697 0.002 . 1 . . . A 97 LEU HG . 18320 1 1187 . 1 1 97 97 LEU HD11 H 1 0.725 0.002 . 2 . . . A 97 LEU HD11 . 18320 1 1188 . 1 1 97 97 LEU HD12 H 1 0.725 0.002 . 2 . . . A 97 LEU HD12 . 18320 1 1189 . 1 1 97 97 LEU HD13 H 1 0.725 0.002 . 2 . . . A 97 LEU HD13 . 18320 1 1190 . 1 1 97 97 LEU HD21 H 1 0.736 0.002 . 2 . . . A 97 LEU HD21 . 18320 1 1191 . 1 1 97 97 LEU HD22 H 1 0.736 0.002 . 2 . . . A 97 LEU HD22 . 18320 1 1192 . 1 1 97 97 LEU HD23 H 1 0.736 0.002 . 2 . . . A 97 LEU HD23 . 18320 1 1193 . 1 1 97 97 LEU C C 13 176.507 0.300 . 1 . . . A 97 LEU C . 18320 1 1194 . 1 1 97 97 LEU CA C 13 52.530 0.300 . 1 . . . A 97 LEU CA . 18320 1 1195 . 1 1 97 97 LEU CB C 13 45.894 0.300 . 1 . . . A 97 LEU CB . 18320 1 1196 . 1 1 97 97 LEU CG C 13 27.206 0.300 . 1 . . . A 97 LEU CG . 18320 1 1197 . 1 1 97 97 LEU CD1 C 13 25.129 0.300 . 2 . . . A 97 LEU CD1 . 18320 1 1198 . 1 1 97 97 LEU CD2 C 13 26.547 0.300 . 2 . . . A 97 LEU CD2 . 18320 1 1199 . 1 1 97 97 LEU N N 15 128.193 0.300 . 1 . . . A 97 LEU N . 18320 1 1200 . 1 1 98 98 PHE H H 1 8.029 0.002 . 1 . . . A 98 PHE H . 18320 1 1201 . 1 1 98 98 PHE HA H 1 4.825 0.002 . 1 . . . A 98 PHE HA . 18320 1 1202 . 1 1 98 98 PHE HB2 H 1 2.857 0.002 . 2 . . . A 98 PHE HB2 . 18320 1 1203 . 1 1 98 98 PHE HB3 H 1 2.302 0.002 . 2 . . . A 98 PHE HB3 . 18320 1 1204 . 1 1 98 98 PHE HD1 H 1 7.021 0.002 . 3 . . . A 98 PHE HD1 . 18320 1 1205 . 1 1 98 98 PHE HD2 H 1 7.021 0.002 . 3 . . . A 98 PHE HD2 . 18320 1 1206 . 1 1 98 98 PHE C C 13 175.879 0.300 . 1 . . . A 98 PHE C . 18320 1 1207 . 1 1 98 98 PHE CA C 13 56.573 0.300 . 1 . . . A 98 PHE CA . 18320 1 1208 . 1 1 98 98 PHE CB C 13 39.816 0.300 . 1 . . . A 98 PHE CB . 18320 1 1209 . 1 1 98 98 PHE N N 15 118.850 0.300 . 1 . . . A 98 PHE N . 18320 1 1210 . 1 1 99 99 ARG H H 1 8.293 0.002 . 1 . . . A 99 ARG H . 18320 1 1211 . 1 1 99 99 ARG HA H 1 4.349 0.002 . 1 . . . A 99 ARG HA . 18320 1 1212 . 1 1 99 99 ARG HB2 H 1 1.615 0.002 . 2 . . . A 99 ARG HB2 . 18320 1 1213 . 1 1 99 99 ARG HB3 H 1 1.385 0.002 . 2 . . . A 99 ARG HB3 . 18320 1 1214 . 1 1 99 99 ARG HG2 H 1 1.489 0.002 . 2 . . . A 99 ARG HG2 . 18320 1 1215 . 1 1 99 99 ARG HG3 H 1 1.420 0.002 . 2 . . . A 99 ARG HG3 . 18320 1 1216 . 1 1 99 99 ARG HD2 H 1 3.043 0.002 . 2 . . . A 99 ARG HD2 . 18320 1 1217 . 1 1 99 99 ARG HD3 H 1 2.851 0.002 . 2 . . . A 99 ARG HD3 . 18320 1 1218 . 1 1 99 99 ARG HE H 1 7.423 0.002 . 1 . . . A 99 ARG HE . 18320 1 1219 . 1 1 99 99 ARG C C 13 173.886 0.300 . 1 . . . A 99 ARG C . 18320 1 1220 . 1 1 99 99 ARG CA C 13 55.670 0.300 . 1 . . . A 99 ARG CA . 18320 1 1221 . 1 1 99 99 ARG CB C 13 31.427 0.300 . 1 . . . A 99 ARG CB . 18320 1 1222 . 1 1 99 99 ARG CG C 13 26.771 0.300 . 1 . . . A 99 ARG CG . 18320 1 1223 . 1 1 99 99 ARG CD C 13 44.651 0.300 . 1 . . . A 99 ARG CD . 18320 1 1224 . 1 1 99 99 ARG N N 15 131.780 0.300 . 1 . . . A 99 ARG N . 18320 1 1225 . 1 1 99 99 ARG NE N 15 84.377 0.300 . 1 . . . A 99 ARG NE . 18320 1 1226 . 1 1 100 100 ASP H H 1 8.079 0.002 . 1 . . . A 100 ASP H . 18320 1 1227 . 1 1 100 100 ASP HA H 1 4.140 0.002 . 1 . . . A 100 ASP HA . 18320 1 1228 . 1 1 100 100 ASP HB2 H 1 2.663 0.002 . 2 . . . A 100 ASP HB2 . 18320 1 1229 . 1 1 100 100 ASP HB3 H 1 2.366 0.002 . 2 . . . A 100 ASP HB3 . 18320 1 1230 . 1 1 100 100 ASP C C 13 174.790 0.300 . 1 . . . A 100 ASP C . 18320 1 1231 . 1 1 100 100 ASP CA C 13 54.491 0.300 . 1 . . . A 100 ASP CA . 18320 1 1232 . 1 1 100 100 ASP CB C 13 39.085 0.300 . 1 . . . A 100 ASP CB . 18320 1 1233 . 1 1 100 100 ASP N N 15 122.005 0.300 . 1 . . . A 100 ASP N . 18320 1 1234 . 1 1 101 101 GLY H H 1 5.574 0.002 . 1 . . . A 101 GLY H . 18320 1 1235 . 1 1 101 101 GLY HA2 H 1 3.999 0.002 . 2 . . . A 101 GLY HA2 . 18320 1 1236 . 1 1 101 101 GLY HA3 H 1 3.186 0.002 . 2 . . . A 101 GLY HA3 . 18320 1 1237 . 1 1 101 101 GLY C C 13 172.482 0.300 . 1 . . . A 101 GLY C . 18320 1 1238 . 1 1 101 101 GLY CA C 13 43.322 0.300 . 1 . . . A 101 GLY CA . 18320 1 1239 . 1 1 101 101 GLY N N 15 104.639 0.300 . 1 . . . A 101 GLY N . 18320 1 1240 . 1 1 102 102 LEU H H 1 8.180 0.002 . 1 . . . A 102 LEU H . 18320 1 1241 . 1 1 102 102 LEU HA H 1 4.612 0.002 . 1 . . . A 102 LEU HA . 18320 1 1242 . 1 1 102 102 LEU HB2 H 1 1.615 0.002 . 2 . . . A 102 LEU HB2 . 18320 1 1243 . 1 1 102 102 LEU HB3 H 1 1.000 0.002 . 2 . . . A 102 LEU HB3 . 18320 1 1244 . 1 1 102 102 LEU HG H 1 1.705 0.002 . 1 . . . A 102 LEU HG . 18320 1 1245 . 1 1 102 102 LEU HD11 H 1 0.868 0.002 . 2 . . . A 102 LEU HD11 . 18320 1 1246 . 1 1 102 102 LEU HD12 H 1 0.868 0.002 . 2 . . . A 102 LEU HD12 . 18320 1 1247 . 1 1 102 102 LEU HD13 H 1 0.868 0.002 . 2 . . . A 102 LEU HD13 . 18320 1 1248 . 1 1 102 102 LEU HD21 H 1 0.821 0.002 . 2 . . . A 102 LEU HD21 . 18320 1 1249 . 1 1 102 102 LEU HD22 H 1 0.821 0.002 . 2 . . . A 102 LEU HD22 . 18320 1 1250 . 1 1 102 102 LEU HD23 H 1 0.821 0.002 . 2 . . . A 102 LEU HD23 . 18320 1 1251 . 1 1 102 102 LEU C C 13 177.127 0.300 . 1 . . . A 102 LEU C . 18320 1 1252 . 1 1 102 102 LEU CA C 13 55.166 0.300 . 1 . . . A 102 LEU CA . 18320 1 1253 . 1 1 102 102 LEU CB C 13 41.706 0.300 . 1 . . . A 102 LEU CB . 18320 1 1254 . 1 1 102 102 LEU CG C 13 27.480 0.300 . 1 . . . A 102 LEU CG . 18320 1 1255 . 1 1 102 102 LEU CD1 C 13 25.245 0.300 . 2 . . . A 102 LEU CD1 . 18320 1 1256 . 1 1 102 102 LEU CD2 C 13 24.968 0.300 . 2 . . . A 102 LEU CD2 . 18320 1 1257 . 1 1 102 102 LEU N N 15 120.747 0.300 . 1 . . . A 102 LEU N . 18320 1 1258 . 1 1 103 103 GLN H H 1 8.769 0.002 . 1 . . . A 103 GLN H . 18320 1 1259 . 1 1 103 103 GLN HA H 1 4.365 0.002 . 1 . . . A 103 GLN HA . 18320 1 1260 . 1 1 103 103 GLN HB2 H 1 1.806 0.002 . 2 . . . A 103 GLN HB2 . 18320 1 1261 . 1 1 103 103 GLN HB3 H 1 1.512 0.002 . 2 . . . A 103 GLN HB3 . 18320 1 1262 . 1 1 103 103 GLN HG2 H 1 2.058 0.002 . 2 . . . A 103 GLN HG2 . 18320 1 1263 . 1 1 103 103 GLN HG3 H 1 2.058 0.002 . 2 . . . A 103 GLN HG3 . 18320 1 1264 . 1 1 103 103 GLN HE21 H 1 7.107 0.002 . 2 . . . A 103 GLN HE21 . 18320 1 1265 . 1 1 103 103 GLN HE22 H 1 6.638 0.002 . 2 . . . A 103 GLN HE22 . 18320 1 1266 . 1 1 103 103 GLN C C 13 173.389 0.300 . 1 . . . A 103 GLN C . 18320 1 1267 . 1 1 103 103 GLN CA C 13 54.601 0.300 . 1 . . . A 103 GLN CA . 18320 1 1268 . 1 1 103 103 GLN CB C 13 33.163 0.300 . 1 . . . A 103 GLN CB . 18320 1 1269 . 1 1 103 103 GLN CG C 13 33.337 0.300 . 1 . . . A 103 GLN CG . 18320 1 1270 . 1 1 103 103 GLN CD C 13 180.096 0.300 . 1 . . . A 103 GLN CD . 18320 1 1271 . 1 1 103 103 GLN N N 15 122.509 0.300 . 1 . . . A 103 GLN N . 18320 1 1272 . 1 1 103 103 GLN NE2 N 15 110.994 0.300 . 1 . . . A 103 GLN NE2 . 18320 1 1273 . 1 1 104 104 TRP H H 1 8.424 0.002 . 1 . . . A 104 TRP H . 18320 1 1274 . 1 1 104 104 TRP HA H 1 5.022 0.002 . 1 . . . A 104 TRP HA . 18320 1 1275 . 1 1 104 104 TRP HB2 H 1 2.965 0.002 . 2 . . . A 104 TRP HB2 . 18320 1 1276 . 1 1 104 104 TRP HB3 H 1 2.768 0.002 . 2 . . . A 104 TRP HB3 . 18320 1 1277 . 1 1 104 104 TRP HD1 H 1 7.281 0.002 . 1 . . . A 104 TRP HD1 . 18320 1 1278 . 1 1 104 104 TRP HE1 H 1 9.955 0.002 . 1 . . . A 104 TRP HE1 . 18320 1 1279 . 1 1 104 104 TRP HE3 H 1 6.986 0.002 . 1 . . . A 104 TRP HE3 . 18320 1 1280 . 1 1 104 104 TRP HZ2 H 1 7.356 0.002 . 1 . . . A 104 TRP HZ2 . 18320 1 1281 . 1 1 104 104 TRP HZ3 H 1 7.094 0.002 . 1 . . . A 104 TRP HZ3 . 18320 1 1282 . 1 1 104 104 TRP C C 13 176.621 0.300 . 1 . . . A 104 TRP C . 18320 1 1283 . 1 1 104 104 TRP CA C 13 55.603 0.300 . 1 . . . A 104 TRP CA . 18320 1 1284 . 1 1 104 104 TRP CB C 13 29.791 0.300 . 1 . . . A 104 TRP CB . 18320 1 1285 . 1 1 104 104 TRP N N 15 123.852 0.300 . 1 . . . A 104 TRP N . 18320 1 1286 . 1 1 104 104 TRP NE1 N 15 128.573 0.300 . 1 . . . A 104 TRP NE1 . 18320 1 1287 . 1 1 105 105 VAL H H 1 9.514 0.002 . 1 . . . A 105 VAL H . 18320 1 1288 . 1 1 105 105 VAL HA H 1 4.619 0.002 . 1 . . . A 105 VAL HA . 18320 1 1289 . 1 1 105 105 VAL HB H 1 1.778 0.002 . 1 . . . A 105 VAL HB . 18320 1 1290 . 1 1 105 105 VAL HG11 H 1 0.897 0.002 . 2 . . . A 105 VAL HG11 . 18320 1 1291 . 1 1 105 105 VAL HG12 H 1 0.897 0.002 . 2 . . . A 105 VAL HG12 . 18320 1 1292 . 1 1 105 105 VAL HG13 H 1 0.897 0.002 . 2 . . . A 105 VAL HG13 . 18320 1 1293 . 1 1 105 105 VAL HG21 H 1 0.756 0.002 . 2 . . . A 105 VAL HG21 . 18320 1 1294 . 1 1 105 105 VAL HG22 H 1 0.756 0.002 . 2 . . . A 105 VAL HG22 . 18320 1 1295 . 1 1 105 105 VAL HG23 H 1 0.756 0.002 . 2 . . . A 105 VAL HG23 . 18320 1 1296 . 1 1 105 105 VAL C C 13 173.117 0.300 . 1 . . . A 105 VAL C . 18320 1 1297 . 1 1 105 105 VAL CA C 13 59.144 0.300 . 1 . . . A 105 VAL CA . 18320 1 1298 . 1 1 105 105 VAL CB C 13 36.577 0.300 . 1 . . . A 105 VAL CB . 18320 1 1299 . 1 1 105 105 VAL CG1 C 13 20.236 0.300 . 2 . . . A 105 VAL CG1 . 18320 1 1300 . 1 1 105 105 VAL CG2 C 13 20.368 0.300 . 2 . . . A 105 VAL CG2 . 18320 1 1301 . 1 1 105 105 VAL N N 15 128.055 0.300 . 1 . . . A 105 VAL N . 18320 1 1302 . 1 1 106 106 PRO HA H 1 4.073 0.002 . 1 . . . A 106 PRO HA . 18320 1 1303 . 1 1 106 106 PRO HB2 H 1 2.166 0.002 . 2 . . . A 106 PRO HB2 . 18320 1 1304 . 1 1 106 106 PRO HB3 H 1 1.797 0.002 . 2 . . . A 106 PRO HB3 . 18320 1 1305 . 1 1 106 106 PRO HG2 H 1 1.982 0.002 . 2 . . . A 106 PRO HG2 . 18320 1 1306 . 1 1 106 106 PRO HG3 H 1 1.982 0.002 . 2 . . . A 106 PRO HG3 . 18320 1 1307 . 1 1 106 106 PRO HD2 H 1 3.715 0.002 . 2 . . . A 106 PRO HD2 . 18320 1 1308 . 1 1 106 106 PRO HD3 H 1 3.546 0.002 . 2 . . . A 106 PRO HD3 . 18320 1 1309 . 1 1 106 106 PRO C C 13 177.975 0.300 . 1 . . . A 106 PRO C . 18320 1 1310 . 1 1 106 106 PRO CA C 13 63.186 0.300 . 1 . . . A 106 PRO CA . 18320 1 1311 . 1 1 106 106 PRO CB C 13 32.288 0.300 . 1 . . . A 106 PRO CB . 18320 1 1312 . 1 1 106 106 PRO CG C 13 28.023 0.300 . 1 . . . A 106 PRO CG . 18320 1 1313 . 1 1 106 106 PRO CD C 13 50.994 0.300 . 1 . . . A 106 PRO CD . 18320 1 1314 . 1 1 107 107 ALA H H 1 8.580 0.002 . 1 . . . A 107 ALA H . 18320 1 1315 . 1 1 107 107 ALA HA H 1 3.912 0.002 . 1 . . . A 107 ALA HA . 18320 1 1316 . 1 1 107 107 ALA HB1 H 1 1.483 0.002 . 1 . . . A 107 ALA HB1 . 18320 1 1317 . 1 1 107 107 ALA HB2 H 1 1.483 0.002 . 1 . . . A 107 ALA HB2 . 18320 1 1318 . 1 1 107 107 ALA HB3 H 1 1.483 0.002 . 1 . . . A 107 ALA HB3 . 18320 1 1319 . 1 1 107 107 ALA C C 13 178.663 0.300 . 1 . . . A 107 ALA C . 18320 1 1320 . 1 1 107 107 ALA CA C 13 55.744 0.300 . 1 . . . A 107 ALA CA . 18320 1 1321 . 1 1 107 107 ALA CB C 13 19.902 0.300 . 1 . . . A 107 ALA CB . 18320 1 1322 . 1 1 107 107 ALA N N 15 126.217 0.300 . 1 . . . A 107 ALA N . 18320 1 1323 . 1 1 108 108 ALA H H 1 8.445 0.002 . 1 . . . A 108 ALA H . 18320 1 1324 . 1 1 108 108 ALA HA H 1 3.943 0.002 . 1 . . . A 108 ALA HA . 18320 1 1325 . 1 1 108 108 ALA HB1 H 1 1.355 0.002 . 1 . . . A 108 ALA HB1 . 18320 1 1326 . 1 1 108 108 ALA HB2 H 1 1.355 0.002 . 1 . . . A 108 ALA HB2 . 18320 1 1327 . 1 1 108 108 ALA HB3 H 1 1.355 0.002 . 1 . . . A 108 ALA HB3 . 18320 1 1328 . 1 1 108 108 ALA C C 13 178.282 0.300 . 1 . . . A 108 ALA C . 18320 1 1329 . 1 1 108 108 ALA CA C 13 54.047 0.300 . 1 . . . A 108 ALA CA . 18320 1 1330 . 1 1 108 108 ALA CB C 13 19.190 0.300 . 1 . . . A 108 ALA CB . 18320 1 1331 . 1 1 108 108 ALA N N 15 114.533 0.300 . 1 . . . A 108 ALA N . 18320 1 1332 . 1 1 109 109 GLU H H 1 8.442 0.002 . 1 . . . A 109 GLU H . 18320 1 1333 . 1 1 109 109 GLU HA H 1 4.238 0.002 . 1 . . . A 109 GLU HA . 18320 1 1334 . 1 1 109 109 GLU HB2 H 1 2.218 0.002 . 2 . . . A 109 GLU HB2 . 18320 1 1335 . 1 1 109 109 GLU HB3 H 1 1.827 0.002 . 2 . . . A 109 GLU HB3 . 18320 1 1336 . 1 1 109 109 GLU HG2 H 1 2.103 0.002 . 2 . . . A 109 GLU HG2 . 18320 1 1337 . 1 1 109 109 GLU HG3 H 1 2.103 0.002 . 2 . . . A 109 GLU HG3 . 18320 1 1338 . 1 1 109 109 GLU C C 13 176.332 0.300 . 1 . . . A 109 GLU C . 18320 1 1339 . 1 1 109 109 GLU CA C 13 55.541 0.300 . 1 . . . A 109 GLU CA . 18320 1 1340 . 1 1 109 109 GLU CB C 13 30.400 0.300 . 1 . . . A 109 GLU CB . 18320 1 1341 . 1 1 109 109 GLU CG C 13 36.628 0.300 . 1 . . . A 109 GLU CG . 18320 1 1342 . 1 1 109 109 GLU N N 15 115.391 0.300 . 1 . . . A 109 GLU N . 18320 1 1343 . 1 1 110 110 VAL H H 1 7.415 0.002 . 1 . . . A 110 VAL H . 18320 1 1344 . 1 1 110 110 VAL HA H 1 3.702 0.002 . 1 . . . A 110 VAL HA . 18320 1 1345 . 1 1 110 110 VAL HB H 1 2.120 0.002 . 1 . . . A 110 VAL HB . 18320 1 1346 . 1 1 110 110 VAL HG11 H 1 0.940 0.002 . 2 . . . A 110 VAL HG11 . 18320 1 1347 . 1 1 110 110 VAL HG12 H 1 0.940 0.002 . 2 . . . A 110 VAL HG12 . 18320 1 1348 . 1 1 110 110 VAL HG13 H 1 0.940 0.002 . 2 . . . A 110 VAL HG13 . 18320 1 1349 . 1 1 110 110 VAL HG21 H 1 0.954 0.002 . 2 . . . A 110 VAL HG21 . 18320 1 1350 . 1 1 110 110 VAL HG22 H 1 0.954 0.002 . 2 . . . A 110 VAL HG22 . 18320 1 1351 . 1 1 110 110 VAL HG23 H 1 0.954 0.002 . 2 . . . A 110 VAL HG23 . 18320 1 1352 . 1 1 110 110 VAL C C 13 174.370 0.300 . 1 . . . A 110 VAL C . 18320 1 1353 . 1 1 110 110 VAL CA C 13 63.731 0.300 . 1 . . . A 110 VAL CA . 18320 1 1354 . 1 1 110 110 VAL CB C 13 31.337 0.300 . 1 . . . A 110 VAL CB . 18320 1 1355 . 1 1 110 110 VAL CG1 C 13 23.090 0.300 . 2 . . . A 110 VAL CG1 . 18320 1 1356 . 1 1 110 110 VAL CG2 C 13 23.936 0.300 . 2 . . . A 110 VAL CG2 . 18320 1 1357 . 1 1 110 110 VAL N N 15 123.841 0.300 . 1 . . . A 110 VAL N . 18320 1 1358 . 1 1 111 111 LYS H H 1 9.357 0.002 . 1 . . . A 111 LYS H . 18320 1 1359 . 1 1 111 111 LYS HA H 1 4.859 0.002 . 1 . . . A 111 LYS HA . 18320 1 1360 . 1 1 111 111 LYS HB2 H 1 1.618 0.002 . 2 . . . A 111 LYS HB2 . 18320 1 1361 . 1 1 111 111 LYS HB3 H 1 1.544 0.002 . 2 . . . A 111 LYS HB3 . 18320 1 1362 . 1 1 111 111 LYS HG2 H 1 1.310 0.002 . 2 . . . A 111 LYS HG2 . 18320 1 1363 . 1 1 111 111 LYS HG3 H 1 1.339 0.002 . 2 . . . A 111 LYS HG3 . 18320 1 1364 . 1 1 111 111 LYS HD2 H 1 1.609 0.002 . 2 . . . A 111 LYS HD2 . 18320 1 1365 . 1 1 111 111 LYS HD3 H 1 1.609 0.002 . 2 . . . A 111 LYS HD3 . 18320 1 1366 . 1 1 111 111 LYS HE2 H 1 2.928 0.002 . 2 . . . A 111 LYS HE2 . 18320 1 1367 . 1 1 111 111 LYS HE3 H 1 2.928 0.002 . 2 . . . A 111 LYS HE3 . 18320 1 1368 . 1 1 111 111 LYS C C 13 173.545 0.300 . 1 . . . A 111 LYS C . 18320 1 1369 . 1 1 111 111 LYS CA C 13 52.966 0.300 . 1 . . . A 111 LYS CA . 18320 1 1370 . 1 1 111 111 LYS CB C 13 33.950 0.300 . 1 . . . A 111 LYS CB . 18320 1 1371 . 1 1 111 111 LYS CG C 13 23.883 0.300 . 1 . . . A 111 LYS CG . 18320 1 1372 . 1 1 111 111 LYS CD C 13 29.106 0.300 . 1 . . . A 111 LYS CD . 18320 1 1373 . 1 1 111 111 LYS CE C 13 42.205 0.300 . 1 . . . A 111 LYS CE . 18320 1 1374 . 1 1 111 111 LYS N N 15 127.429 0.300 . 1 . . . A 111 LYS N . 18320 1 1375 . 1 1 112 112 PRO HA H 1 3.947 0.002 . 1 . . . A 112 PRO HA . 18320 1 1376 . 1 1 112 112 PRO HB2 H 1 2.087 0.002 . 2 . . . A 112 PRO HB2 . 18320 1 1377 . 1 1 112 112 PRO HB3 H 1 1.833 0.002 . 2 . . . A 112 PRO HB3 . 18320 1 1378 . 1 1 112 112 PRO HG2 H 1 2.250 0.002 . 2 . . . A 112 PRO HG2 . 18320 1 1379 . 1 1 112 112 PRO HG3 H 1 1.656 0.002 . 2 . . . A 112 PRO HG3 . 18320 1 1380 . 1 1 112 112 PRO HD2 H 1 3.627 0.002 . 2 . . . A 112 PRO HD2 . 18320 1 1381 . 1 1 112 112 PRO HD3 H 1 3.553 0.002 . 2 . . . A 112 PRO HD3 . 18320 1 1382 . 1 1 112 112 PRO C C 13 177.352 0.300 . 1 . . . A 112 PRO C . 18320 1 1383 . 1 1 112 112 PRO CA C 13 63.794 0.300 . 1 . . . A 112 PRO CA . 18320 1 1384 . 1 1 112 112 PRO CB C 13 30.987 0.300 . 1 . . . A 112 PRO CB . 18320 1 1385 . 1 1 112 112 PRO CG C 13 29.203 0.300 . 1 . . . A 112 PRO CG . 18320 1 1386 . 1 1 112 112 PRO CD C 13 50.631 0.300 . 1 . . . A 112 PRO CD . 18320 1 1387 . 1 1 113 113 GLY H H 1 8.959 0.002 . 1 . . . A 113 GLY H . 18320 1 1388 . 1 1 113 113 GLY HA2 H 1 4.433 0.002 . 2 . . . A 113 GLY HA2 . 18320 1 1389 . 1 1 113 113 GLY HA3 H 1 3.620 0.002 . 2 . . . A 113 GLY HA3 . 18320 1 1390 . 1 1 113 113 GLY C C 13 175.631 0.300 . 1 . . . A 113 GLY C . 18320 1 1391 . 1 1 113 113 GLY CA C 13 45.040 0.300 . 1 . . . A 113 GLY CA . 18320 1 1392 . 1 1 113 113 GLY N N 15 114.201 0.300 . 1 . . . A 113 GLY N . 18320 1 1393 . 1 1 114 114 ASP H H 1 7.969 0.002 . 1 . . . A 114 ASP H . 18320 1 1394 . 1 1 114 114 ASP HA H 1 4.793 0.002 . 1 . . . A 114 ASP HA . 18320 1 1395 . 1 1 114 114 ASP HB2 H 1 3.034 0.002 . 2 . . . A 114 ASP HB2 . 18320 1 1396 . 1 1 114 114 ASP HB3 H 1 2.519 0.002 . 2 . . . A 114 ASP HB3 . 18320 1 1397 . 1 1 114 114 ASP C C 13 174.294 0.300 . 1 . . . A 114 ASP C . 18320 1 1398 . 1 1 114 114 ASP CA C 13 55.690 0.300 . 1 . . . A 114 ASP CA . 18320 1 1399 . 1 1 114 114 ASP CB C 13 42.859 0.300 . 1 . . . A 114 ASP CB . 18320 1 1400 . 1 1 114 114 ASP N N 15 120.196 0.300 . 1 . . . A 114 ASP N . 18320 1 1401 . 1 1 115 115 VAL H H 1 9.226 0.002 . 1 . . . A 115 VAL H . 18320 1 1402 . 1 1 115 115 VAL HA H 1 4.633 0.002 . 1 . . . A 115 VAL HA . 18320 1 1403 . 1 1 115 115 VAL HB H 1 2.030 0.002 . 1 . . . A 115 VAL HB . 18320 1 1404 . 1 1 115 115 VAL HG11 H 1 0.790 0.002 . 2 . . . A 115 VAL HG11 . 18320 1 1405 . 1 1 115 115 VAL HG12 H 1 0.790 0.002 . 2 . . . A 115 VAL HG12 . 18320 1 1406 . 1 1 115 115 VAL HG13 H 1 0.790 0.002 . 2 . . . A 115 VAL HG13 . 18320 1 1407 . 1 1 115 115 VAL HG21 H 1 0.939 0.002 . 2 . . . A 115 VAL HG21 . 18320 1 1408 . 1 1 115 115 VAL HG22 H 1 0.939 0.002 . 2 . . . A 115 VAL HG22 . 18320 1 1409 . 1 1 115 115 VAL HG23 H 1 0.939 0.002 . 2 . . . A 115 VAL HG23 . 18320 1 1410 . 1 1 115 115 VAL C C 13 174.847 0.300 . 1 . . . A 115 VAL C . 18320 1 1411 . 1 1 115 115 VAL CA C 13 61.329 0.300 . 1 . . . A 115 VAL CA . 18320 1 1412 . 1 1 115 115 VAL CB C 13 34.050 0.300 . 1 . . . A 115 VAL CB . 18320 1 1413 . 1 1 115 115 VAL CG1 C 13 22.714 0.300 . 2 . . . A 115 VAL CG1 . 18320 1 1414 . 1 1 115 115 VAL CG2 C 13 20.962 0.300 . 2 . . . A 115 VAL CG2 . 18320 1 1415 . 1 1 115 115 VAL N N 15 118.255 0.300 . 1 . . . A 115 VAL N . 18320 1 1416 . 1 1 116 116 VAL H H 1 8.953 0.002 . 1 . . . A 116 VAL H . 18320 1 1417 . 1 1 116 116 VAL HA H 1 4.610 0.002 . 1 . . . A 116 VAL HA . 18320 1 1418 . 1 1 116 116 VAL HB H 1 1.934 0.002 . 1 . . . A 116 VAL HB . 18320 1 1419 . 1 1 116 116 VAL HG11 H 1 0.872 0.002 . 2 . . . A 116 VAL HG11 . 18320 1 1420 . 1 1 116 116 VAL HG12 H 1 0.872 0.002 . 2 . . . A 116 VAL HG12 . 18320 1 1421 . 1 1 116 116 VAL HG13 H 1 0.872 0.002 . 2 . . . A 116 VAL HG13 . 18320 1 1422 . 1 1 116 116 VAL HG21 H 1 0.738 0.002 . 2 . . . A 116 VAL HG21 . 18320 1 1423 . 1 1 116 116 VAL HG22 H 1 0.738 0.002 . 2 . . . A 116 VAL HG22 . 18320 1 1424 . 1 1 116 116 VAL HG23 H 1 0.738 0.002 . 2 . . . A 116 VAL HG23 . 18320 1 1425 . 1 1 116 116 VAL C C 13 175.688 0.300 . 1 . . . A 116 VAL C . 18320 1 1426 . 1 1 116 116 VAL CA C 13 60.962 0.300 . 1 . . . A 116 VAL CA . 18320 1 1427 . 1 1 116 116 VAL CB C 13 33.333 0.300 . 1 . . . A 116 VAL CB . 18320 1 1428 . 1 1 116 116 VAL CG1 C 13 21.756 0.300 . 2 . . . A 116 VAL CG1 . 18320 1 1429 . 1 1 116 116 VAL CG2 C 13 23.004 0.300 . 2 . . . A 116 VAL CG2 . 18320 1 1430 . 1 1 116 116 VAL N N 15 126.711 0.300 . 1 . . . A 116 VAL N . 18320 1 1431 . 1 1 117 117 VAL H H 1 8.095 0.002 . 1 . . . A 117 VAL H . 18320 1 1432 . 1 1 117 117 VAL HA H 1 4.421 0.002 . 1 . . . A 117 VAL HA . 18320 1 1433 . 1 1 117 117 VAL HB H 1 1.474 0.002 . 1 . . . A 117 VAL HB . 18320 1 1434 . 1 1 117 117 VAL HG11 H 1 0.700 0.002 . 2 . . . A 117 VAL HG11 . 18320 1 1435 . 1 1 117 117 VAL HG12 H 1 0.700 0.002 . 2 . . . A 117 VAL HG12 . 18320 1 1436 . 1 1 117 117 VAL HG13 H 1 0.700 0.002 . 2 . . . A 117 VAL HG13 . 18320 1 1437 . 1 1 117 117 VAL HG21 H 1 0.803 0.002 . 2 . . . A 117 VAL HG21 . 18320 1 1438 . 1 1 117 117 VAL HG22 H 1 0.803 0.002 . 2 . . . A 117 VAL HG22 . 18320 1 1439 . 1 1 117 117 VAL HG23 H 1 0.803 0.002 . 2 . . . A 117 VAL HG23 . 18320 1 1440 . 1 1 117 117 VAL C C 13 175.254 0.300 . 1 . . . A 117 VAL C . 18320 1 1441 . 1 1 117 117 VAL CA C 13 62.522 0.300 . 1 . . . A 117 VAL CA . 18320 1 1442 . 1 1 117 117 VAL CB C 13 32.997 0.300 . 1 . . . A 117 VAL CB . 18320 1 1443 . 1 1 117 117 VAL CG1 C 13 22.780 0.300 . 2 . . . A 117 VAL CG1 . 18320 1 1444 . 1 1 117 117 VAL CG2 C 13 22.732 0.300 . 2 . . . A 117 VAL CG2 . 18320 1 1445 . 1 1 117 117 VAL N N 15 127.277 0.300 . 1 . . . A 117 VAL N . 18320 1 1446 . 1 1 118 118 GLY H H 1 8.672 0.002 . 1 . . . A 118 GLY H . 18320 1 1447 . 1 1 118 118 GLY HA2 H 1 4.683 0.002 . 2 . . . A 118 GLY HA2 . 18320 1 1448 . 1 1 118 118 GLY HA3 H 1 3.697 0.002 . 2 . . . A 118 GLY HA3 . 18320 1 1449 . 1 1 118 118 GLY C C 13 172.131 0.300 . 1 . . . A 118 GLY C . 18320 1 1450 . 1 1 118 118 GLY CA C 13 43.859 0.300 . 1 . . . A 118 GLY CA . 18320 1 1451 . 1 1 118 118 GLY N N 15 114.178 0.300 . 1 . . . A 118 GLY N . 18320 1 1452 . 1 1 119 119 VAL H H 1 8.878 0.002 . 1 . . . A 119 VAL H . 18320 1 1453 . 1 1 119 119 VAL HA H 1 4.710 0.002 . 1 . . . A 119 VAL HA . 18320 1 1454 . 1 1 119 119 VAL HB H 1 1.956 0.002 . 1 . . . A 119 VAL HB . 18320 1 1455 . 1 1 119 119 VAL HG11 H 1 0.680 0.002 . 2 . . . A 119 VAL HG11 . 18320 1 1456 . 1 1 119 119 VAL HG12 H 1 0.680 0.002 . 2 . . . A 119 VAL HG12 . 18320 1 1457 . 1 1 119 119 VAL HG13 H 1 0.680 0.002 . 2 . . . A 119 VAL HG13 . 18320 1 1458 . 1 1 119 119 VAL HG21 H 1 0.657 0.002 . 2 . . . A 119 VAL HG21 . 18320 1 1459 . 1 1 119 119 VAL HG22 H 1 0.657 0.002 . 2 . . . A 119 VAL HG22 . 18320 1 1460 . 1 1 119 119 VAL HG23 H 1 0.657 0.002 . 2 . . . A 119 VAL HG23 . 18320 1 1461 . 1 1 119 119 VAL C C 13 176.094 0.300 . 1 . . . A 119 VAL C . 18320 1 1462 . 1 1 119 119 VAL CA C 13 59.556 0.300 . 1 . . . A 119 VAL CA . 18320 1 1463 . 1 1 119 119 VAL CB C 13 33.825 0.300 . 1 . . . A 119 VAL CB . 18320 1 1464 . 1 1 119 119 VAL CG1 C 13 21.541 0.300 . 2 . . . A 119 VAL CG1 . 18320 1 1465 . 1 1 119 119 VAL CG2 C 13 20.353 0.300 . 2 . . . A 119 VAL CG2 . 18320 1 1466 . 1 1 119 119 VAL N N 15 115.050 0.300 . 1 . . . A 119 VAL N . 18320 1 1467 . 1 1 120 120 ARG H H 1 8.074 0.002 . 1 . . . A 120 ARG H . 18320 1 1468 . 1 1 120 120 ARG HA H 1 4.083 0.002 . 1 . . . A 120 ARG HA . 18320 1 1469 . 1 1 120 120 ARG HB2 H 1 1.520 0.002 . 2 . . . A 120 ARG HB2 . 18320 1 1470 . 1 1 120 120 ARG HB3 H 1 1.838 0.002 . 2 . . . A 120 ARG HB3 . 18320 1 1471 . 1 1 120 120 ARG HG2 H 1 1.476 0.002 . 2 . . . A 120 ARG HG2 . 18320 1 1472 . 1 1 120 120 ARG HG3 H 1 1.476 0.002 . 2 . . . A 120 ARG HG3 . 18320 1 1473 . 1 1 120 120 ARG HD2 H 1 3.053 0.002 . 2 . . . A 120 ARG HD2 . 18320 1 1474 . 1 1 120 120 ARG HD3 H 1 3.053 0.002 . 2 . . . A 120 ARG HD3 . 18320 1 1475 . 1 1 120 120 ARG CA C 13 57.109 0.300 . 1 . . . A 120 ARG CA . 18320 1 1476 . 1 1 120 120 ARG CB C 13 30.333 0.300 . 1 . . . A 120 ARG CB . 18320 1 1477 . 1 1 120 120 ARG CG C 13 27.731 0.300 . 1 . . . A 120 ARG CG . 18320 1 1478 . 1 1 120 120 ARG CD C 13 43.322 0.300 . 1 . . . A 120 ARG CD . 18320 1 1479 . 1 1 120 120 ARG N N 15 122.088 0.300 . 1 . . . A 120 ARG N . 18320 1 1480 . 1 1 122 122 GLU HA H 1 3.847 0.002 . 1 . . . A 122 GLU HA . 18320 1 1481 . 1 1 122 122 GLU HB2 H 1 1.884 0.002 . 2 . . . A 122 GLU HB2 . 18320 1 1482 . 1 1 122 122 GLU HB3 H 1 1.821 0.002 . 2 . . . A 122 GLU HB3 . 18320 1 1483 . 1 1 122 122 GLU HG2 H 1 2.080 0.002 . 2 . . . A 122 GLU HG2 . 18320 1 1484 . 1 1 122 122 GLU HG3 H 1 2.080 0.002 . 2 . . . A 122 GLU HG3 . 18320 1 1485 . 1 1 122 122 GLU C C 13 177.588 0.300 . 1 . . . A 122 GLU C . 18320 1 1486 . 1 1 122 122 GLU CA C 13 58.484 0.300 . 1 . . . A 122 GLU CA . 18320 1 1487 . 1 1 122 122 GLU CB C 13 29.328 0.300 . 1 . . . A 122 GLU CB . 18320 1 1488 . 1 1 122 122 GLU CG C 13 35.757 0.300 . 1 . . . A 122 GLU CG . 18320 1 1489 . 1 1 123 123 VAL H H 1 7.478 0.002 . 1 . . . A 123 VAL H . 18320 1 1490 . 1 1 123 123 VAL HA H 1 3.552 0.002 . 1 . . . A 123 VAL HA . 18320 1 1491 . 1 1 123 123 VAL HB H 1 2.012 0.002 . 1 . . . A 123 VAL HB . 18320 1 1492 . 1 1 123 123 VAL HG11 H 1 0.865 0.002 . 2 . . . A 123 VAL HG11 . 18320 1 1493 . 1 1 123 123 VAL HG12 H 1 0.865 0.002 . 2 . . . A 123 VAL HG12 . 18320 1 1494 . 1 1 123 123 VAL HG13 H 1 0.865 0.002 . 2 . . . A 123 VAL HG13 . 18320 1 1495 . 1 1 123 123 VAL HG21 H 1 0.726 0.002 . 2 . . . A 123 VAL HG21 . 18320 1 1496 . 1 1 123 123 VAL HG22 H 1 0.726 0.002 . 2 . . . A 123 VAL HG22 . 18320 1 1497 . 1 1 123 123 VAL HG23 H 1 0.726 0.002 . 2 . . . A 123 VAL HG23 . 18320 1 1498 . 1 1 123 123 VAL C C 13 176.621 0.300 . 1 . . . A 123 VAL C . 18320 1 1499 . 1 1 123 123 VAL CA C 13 64.512 0.300 . 1 . . . A 123 VAL CA . 18320 1 1500 . 1 1 123 123 VAL CB C 13 31.373 0.300 . 1 . . . A 123 VAL CB . 18320 1 1501 . 1 1 123 123 VAL CG1 C 13 17.886 0.300 . 2 . . . A 123 VAL CG1 . 18320 1 1502 . 1 1 123 123 VAL CG2 C 13 21.207 0.300 . 2 . . . A 123 VAL CG2 . 18320 1 1503 . 1 1 123 123 VAL N N 15 117.684 0.300 . 1 . . . A 123 VAL N . 18320 1 1504 . 1 1 124 124 LEU HA H 1 3.541 0.002 . 1 . . . A 124 LEU HA . 18320 1 1505 . 1 1 124 124 LEU HB2 H 1 0.948 0.002 . 2 . . . A 124 LEU HB2 . 18320 1 1506 . 1 1 124 124 LEU HB3 H 1 1.275 0.002 . 2 . . . A 124 LEU HB3 . 18320 1 1507 . 1 1 124 124 LEU HG H 1 1.095 0.002 . 1 . . . A 124 LEU HG . 18320 1 1508 . 1 1 124 124 LEU HD11 H 1 0.330 0.002 . 2 . . . A 124 LEU HD11 . 18320 1 1509 . 1 1 124 124 LEU HD12 H 1 0.330 0.002 . 2 . . . A 124 LEU HD12 . 18320 1 1510 . 1 1 124 124 LEU HD13 H 1 0.330 0.002 . 2 . . . A 124 LEU HD13 . 18320 1 1511 . 1 1 124 124 LEU HD21 H 1 0.207 0.002 . 2 . . . A 124 LEU HD21 . 18320 1 1512 . 1 1 124 124 LEU HD22 H 1 0.207 0.002 . 2 . . . A 124 LEU HD22 . 18320 1 1513 . 1 1 124 124 LEU HD23 H 1 0.207 0.002 . 2 . . . A 124 LEU HD23 . 18320 1 1514 . 1 1 124 124 LEU CA C 13 56.172 0.300 . 1 . . . A 124 LEU CA . 18320 1 1515 . 1 1 124 124 LEU CB C 13 41.018 0.300 . 1 . . . A 124 LEU CB . 18320 1 1516 . 1 1 124 124 LEU CG C 13 27.163 0.300 . 1 . . . A 124 LEU CG . 18320 1 1517 . 1 1 124 124 LEU CD1 C 13 24.428 0.300 . 2 . . . A 124 LEU CD1 . 18320 1 1518 . 1 1 124 124 LEU CD2 C 13 23.107 0.300 . 2 . . . A 124 LEU CD2 . 18320 1 1519 . 1 1 125 125 ARG H H 1 7.309 0.002 . 1 . . . A 125 ARG H . 18320 1 1520 . 1 1 125 125 ARG HA H 1 4.079 0.002 . 1 . . . A 125 ARG HA . 18320 1 1521 . 1 1 125 125 ARG HB2 H 1 1.621 0.002 . 2 . . . A 125 ARG HB2 . 18320 1 1522 . 1 1 125 125 ARG HB3 H 1 1.621 0.002 . 2 . . . A 125 ARG HB3 . 18320 1 1523 . 1 1 125 125 ARG HG2 H 1 1.469 0.002 . 2 . . . A 125 ARG HG2 . 18320 1 1524 . 1 1 125 125 ARG HG3 H 1 1.469 0.002 . 2 . . . A 125 ARG HG3 . 18320 1 1525 . 1 1 125 125 ARG HD2 H 1 3.028 0.002 . 2 . . . A 125 ARG HD2 . 18320 1 1526 . 1 1 125 125 ARG HD3 H 1 3.028 0.002 . 2 . . . A 125 ARG HD3 . 18320 1 1527 . 1 1 125 125 ARG CA C 13 56.395 0.300 . 1 . . . A 125 ARG CA . 18320 1 1528 . 1 1 125 125 ARG CB C 13 30.616 0.300 . 1 . . . A 125 ARG CB . 18320 1 1529 . 1 1 125 125 ARG CG C 13 27.271 0.300 . 1 . . . A 125 ARG CG . 18320 1 1530 . 1 1 125 125 ARG CD C 13 43.321 0.300 . 1 . . . A 125 ARG CD . 18320 1 1531 . 1 1 125 125 ARG N N 15 115.731 0.300 . 1 . . . A 125 ARG N . 18320 1 1532 . 1 1 128 128 ILE HA H 1 4.259 0.002 . 1 . . . A 128 ILE HA . 18320 1 1533 . 1 1 128 128 ILE HB H 1 1.689 0.002 . 1 . . . A 128 ILE HB . 18320 1 1534 . 1 1 128 128 ILE HG12 H 1 1.305 0.002 . 2 . . . A 128 ILE HG12 . 18320 1 1535 . 1 1 128 128 ILE HG13 H 1 0.963 0.002 . 2 . . . A 128 ILE HG13 . 18320 1 1536 . 1 1 128 128 ILE HG21 H 1 0.764 0.002 . 1 . . . A 128 ILE HG21 . 18320 1 1537 . 1 1 128 128 ILE HG22 H 1 0.764 0.002 . 1 . . . A 128 ILE HG22 . 18320 1 1538 . 1 1 128 128 ILE HG23 H 1 0.764 0.002 . 1 . . . A 128 ILE HG23 . 18320 1 1539 . 1 1 128 128 ILE HD11 H 1 0.717 0.002 . 1 . . . A 128 ILE HD11 . 18320 1 1540 . 1 1 128 128 ILE HD12 H 1 0.717 0.002 . 1 . . . A 128 ILE HD12 . 18320 1 1541 . 1 1 128 128 ILE HD13 H 1 0.717 0.002 . 1 . . . A 128 ILE HD13 . 18320 1 1542 . 1 1 128 128 ILE C C 13 175.364 0.300 . 1 . . . A 128 ILE C . 18320 1 1543 . 1 1 128 128 ILE CA C 13 60.258 0.300 . 1 . . . A 128 ILE CA . 18320 1 1544 . 1 1 128 128 ILE CB C 13 39.468 0.300 . 1 . . . A 128 ILE CB . 18320 1 1545 . 1 1 128 128 ILE CG1 C 13 26.960 0.300 . 1 . . . A 128 ILE CG1 . 18320 1 1546 . 1 1 128 128 ILE CG2 C 13 17.449 0.300 . 1 . . . A 128 ILE CG2 . 18320 1 1547 . 1 1 128 128 ILE CD1 C 13 12.790 0.300 . 1 . . . A 128 ILE CD1 . 18320 1 1548 . 1 1 129 129 ILE H H 1 8.144 0.002 . 1 . . . A 129 ILE H . 18320 1 1549 . 1 1 129 129 ILE HA H 1 4.134 0.002 . 1 . . . A 129 ILE HA . 18320 1 1550 . 1 1 129 129 ILE HB H 1 1.733 0.002 . 1 . . . A 129 ILE HB . 18320 1 1551 . 1 1 129 129 ILE HG12 H 1 1.359 0.002 . 2 . . . A 129 ILE HG12 . 18320 1 1552 . 1 1 129 129 ILE HG13 H 1 1.048 0.002 . 2 . . . A 129 ILE HG13 . 18320 1 1553 . 1 1 129 129 ILE HG21 H 1 0.717 0.002 . 1 . . . A 129 ILE HG21 . 18320 1 1554 . 1 1 129 129 ILE HG22 H 1 0.717 0.002 . 1 . . . A 129 ILE HG22 . 18320 1 1555 . 1 1 129 129 ILE HG23 H 1 0.717 0.002 . 1 . . . A 129 ILE HG23 . 18320 1 1556 . 1 1 129 129 ILE HD11 H 1 0.657 0.002 . 1 . . . A 129 ILE HD11 . 18320 1 1557 . 1 1 129 129 ILE HD12 H 1 0.657 0.002 . 1 . . . A 129 ILE HD12 . 18320 1 1558 . 1 1 129 129 ILE HD13 H 1 0.657 0.002 . 1 . . . A 129 ILE HD13 . 18320 1 1559 . 1 1 129 129 ILE C C 13 175.405 0.300 . 1 . . . A 129 ILE C . 18320 1 1560 . 1 1 129 129 ILE CA C 13 61.037 0.300 . 1 . . . A 129 ILE CA . 18320 1 1561 . 1 1 129 129 ILE CB C 13 38.665 0.300 . 1 . . . A 129 ILE CB . 18320 1 1562 . 1 1 129 129 ILE CG1 C 13 27.207 0.300 . 1 . . . A 129 ILE CG1 . 18320 1 1563 . 1 1 129 129 ILE CG2 C 13 17.736 0.300 . 1 . . . A 129 ILE CG2 . 18320 1 1564 . 1 1 129 129 ILE CD1 C 13 13.271 0.300 . 1 . . . A 129 ILE CD1 . 18320 1 1565 . 1 1 129 129 ILE N N 15 124.348 0.300 . 1 . . . A 129 ILE N . 18320 1 1566 . 1 1 130 130 SER H H 1 8.042 0.002 . 1 . . . A 130 SER H . 18320 1 1567 . 1 1 130 130 SER HA H 1 4.556 0.002 . 1 . . . A 130 SER HA . 18320 1 1568 . 1 1 130 130 SER HB2 H 1 3.792 0.002 . 2 . . . A 130 SER HB2 . 18320 1 1569 . 1 1 130 130 SER HB3 H 1 3.693 0.002 . 2 . . . A 130 SER HB3 . 18320 1 1570 . 1 1 130 130 SER C C 13 173.783 0.300 . 1 . . . A 130 SER C . 18320 1 1571 . 1 1 130 130 SER CA C 13 57.557 0.300 . 1 . . . A 130 SER CA . 18320 1 1572 . 1 1 130 130 SER CB C 13 64.702 0.300 . 1 . . . A 130 SER CB . 18320 1 1573 . 1 1 130 130 SER N N 15 119.415 0.300 . 1 . . . A 130 SER N . 18320 1 1574 . 1 1 131 131 LYS H H 1 8.188 0.002 . 1 . . . A 131 LYS H . 18320 1 1575 . 1 1 131 131 LYS HA H 1 4.251 0.002 . 1 . . . A 131 LYS HA . 18320 1 1576 . 1 1 131 131 LYS HB2 H 1 1.729 0.002 . 2 . . . A 131 LYS HB2 . 18320 1 1577 . 1 1 131 131 LYS HB3 H 1 1.729 0.002 . 2 . . . A 131 LYS HB3 . 18320 1 1578 . 1 1 131 131 LYS HG2 H 1 1.355 0.002 . 2 . . . A 131 LYS HG2 . 18320 1 1579 . 1 1 131 131 LYS HG3 H 1 1.313 0.002 . 2 . . . A 131 LYS HG3 . 18320 1 1580 . 1 1 131 131 LYS HD2 H 1 1.726 0.002 . 2 . . . A 131 LYS HD2 . 18320 1 1581 . 1 1 131 131 LYS HD3 H 1 1.610 0.002 . 2 . . . A 131 LYS HD3 . 18320 1 1582 . 1 1 131 131 LYS HE2 H 1 2.925 0.002 . 2 . . . A 131 LYS HE2 . 18320 1 1583 . 1 1 131 131 LYS HE3 H 1 2.925 0.002 . 2 . . . A 131 LYS HE3 . 18320 1 1584 . 1 1 131 131 LYS CA C 13 57.112 0.300 . 1 . . . A 131 LYS CA . 18320 1 1585 . 1 1 131 131 LYS CB C 13 33.030 0.300 . 1 . . . A 131 LYS CB . 18320 1 1586 . 1 1 131 131 LYS CG C 13 24.828 0.300 . 1 . . . A 131 LYS CG . 18320 1 1587 . 1 1 131 131 LYS CD C 13 29.116 0.300 . 1 . . . A 131 LYS CD . 18320 1 1588 . 1 1 131 131 LYS CE C 13 42.255 0.300 . 1 . . . A 131 LYS CE . 18320 1 1589 . 1 1 131 131 LYS N N 15 122.113 0.300 . 1 . . . A 131 LYS N . 18320 1 1590 . 1 1 132 132 GLY H H 1 8.434 0.002 . 1 . . . A 132 GLY H . 18320 1 1591 . 1 1 132 132 GLY HA2 H 1 3.899 0.002 . 2 . . . A 132 GLY HA2 . 18320 1 1592 . 1 1 132 132 GLY HA3 H 1 3.449 0.002 . 2 . . . A 132 GLY HA3 . 18320 1 1593 . 1 1 132 132 GLY C C 13 173.028 0.300 . 1 . . . A 132 GLY C . 18320 1 1594 . 1 1 132 132 GLY CA C 13 45.721 0.300 . 1 . . . A 132 GLY CA . 18320 1 1595 . 1 1 132 132 GLY N N 15 110.137 0.300 . 1 . . . A 132 GLY N . 18320 1 1596 . 1 1 133 133 GLU H H 1 7.586 0.002 . 1 . . . A 133 GLU H . 18320 1 1597 . 1 1 133 133 GLU HA H 1 4.260 0.002 . 1 . . . A 133 GLU HA . 18320 1 1598 . 1 1 133 133 GLU HB2 H 1 1.905 0.002 . 2 . . . A 133 GLU HB2 . 18320 1 1599 . 1 1 133 133 GLU HB3 H 1 1.736 0.002 . 2 . . . A 133 GLU HB3 . 18320 1 1600 . 1 1 133 133 GLU HG2 H 1 2.102 0.002 . 2 . . . A 133 GLU HG2 . 18320 1 1601 . 1 1 133 133 GLU HG3 H 1 2.102 0.002 . 2 . . . A 133 GLU HG3 . 18320 1 1602 . 1 1 133 133 GLU C C 13 175.341 0.300 . 1 . . . A 133 GLU C . 18320 1 1603 . 1 1 133 133 GLU CA C 13 55.948 0.300 . 1 . . . A 133 GLU CA . 18320 1 1604 . 1 1 133 133 GLU CB C 13 30.426 0.300 . 1 . . . A 133 GLU CB . 18320 1 1605 . 1 1 133 133 GLU CG C 13 36.395 0.300 . 1 . . . A 133 GLU CG . 18320 1 1606 . 1 1 133 133 GLU N N 15 121.480 0.300 . 1 . . . A 133 GLU N . 18320 1 1607 . 1 1 134 134 LEU HA H 1 4.506 0.002 . 1 . . . A 134 LEU HA . 18320 1 1608 . 1 1 134 134 LEU HB2 H 1 0.859 0.002 . 2 . . . A 134 LEU HB2 . 18320 1 1609 . 1 1 134 134 LEU HB3 H 1 1.366 0.002 . 2 . . . A 134 LEU HB3 . 18320 1 1610 . 1 1 134 134 LEU HG H 1 1.582 0.002 . 1 . . . A 134 LEU HG . 18320 1 1611 . 1 1 134 134 LEU HD11 H 1 0.814 0.002 . 2 . . . A 134 LEU HD11 . 18320 1 1612 . 1 1 134 134 LEU HD12 H 1 0.814 0.002 . 2 . . . A 134 LEU HD12 . 18320 1 1613 . 1 1 134 134 LEU HD13 H 1 0.814 0.002 . 2 . . . A 134 LEU HD13 . 18320 1 1614 . 1 1 134 134 LEU HD21 H 1 0.513 0.002 . 2 . . . A 134 LEU HD21 . 18320 1 1615 . 1 1 134 134 LEU HD22 H 1 0.513 0.002 . 2 . . . A 134 LEU HD22 . 18320 1 1616 . 1 1 134 134 LEU HD23 H 1 0.513 0.002 . 2 . . . A 134 LEU HD23 . 18320 1 1617 . 1 1 134 134 LEU C C 13 175.688 0.300 . 1 . . . A 134 LEU C . 18320 1 1618 . 1 1 134 134 LEU CA C 13 54.483 0.300 . 1 . . . A 134 LEU CA . 18320 1 1619 . 1 1 134 134 LEU CB C 13 42.588 0.300 . 1 . . . A 134 LEU CB . 18320 1 1620 . 1 1 134 134 LEU CG C 13 26.816 0.300 . 1 . . . A 134 LEU CG . 18320 1 1621 . 1 1 134 134 LEU CD1 C 13 25.657 0.300 . 2 . . . A 134 LEU CD1 . 18320 1 1622 . 1 1 134 134 LEU CD2 C 13 21.401 0.300 . 2 . . . A 134 LEU CD2 . 18320 1 1623 . 1 1 135 135 GLU H H 1 8.459 0.002 . 1 . . . A 135 GLU H . 18320 1 1624 . 1 1 135 135 GLU HA H 1 4.086 0.002 . 1 . . . A 135 GLU HA . 18320 1 1625 . 1 1 135 135 GLU HB2 H 1 1.279 0.002 . 2 . . . A 135 GLU HB2 . 18320 1 1626 . 1 1 135 135 GLU HB3 H 1 1.279 0.002 . 2 . . . A 135 GLU HB3 . 18320 1 1627 . 1 1 135 135 GLU HG2 H 1 1.691 0.002 . 2 . . . A 135 GLU HG2 . 18320 1 1628 . 1 1 135 135 GLU HG3 H 1 1.614 0.002 . 2 . . . A 135 GLU HG3 . 18320 1 1629 . 1 1 135 135 GLU C C 13 173.258 0.300 . 1 . . . A 135 GLU C . 18320 1 1630 . 1 1 135 135 GLU CA C 13 54.246 0.300 . 1 . . . A 135 GLU CA . 18320 1 1631 . 1 1 135 135 GLU CB C 13 33.148 0.300 . 1 . . . A 135 GLU CB . 18320 1 1632 . 1 1 135 135 GLU CG C 13 35.515 0.300 . 1 . . . A 135 GLU CG . 18320 1 1633 . 1 1 135 135 GLU N N 15 122.400 0.300 . 1 . . . A 135 GLU N . 18320 1 1634 . 1 1 136 136 PHE H H 1 8.176 0.002 . 1 . . . A 136 PHE H . 18320 1 1635 . 1 1 136 136 PHE HA H 1 4.888 0.002 . 1 . . . A 136 PHE HA . 18320 1 1636 . 1 1 136 136 PHE HB2 H 1 2.799 0.002 . 2 . . . A 136 PHE HB2 . 18320 1 1637 . 1 1 136 136 PHE HB3 H 1 2.712 0.002 . 2 . . . A 136 PHE HB3 . 18320 1 1638 . 1 1 136 136 PHE HD1 H 1 6.967 0.002 . 3 . . . A 136 PHE HD1 . 18320 1 1639 . 1 1 136 136 PHE HD2 H 1 6.967 0.002 . 3 . . . A 136 PHE HD2 . 18320 1 1640 . 1 1 136 136 PHE HE1 H 1 6.794 0.002 . 3 . . . A 136 PHE HE1 . 18320 1 1641 . 1 1 136 136 PHE HE2 H 1 6.794 0.002 . 3 . . . A 136 PHE HE2 . 18320 1 1642 . 1 1 136 136 PHE C C 13 175.369 0.300 . 1 . . . A 136 PHE C . 18320 1 1643 . 1 1 136 136 PHE CA C 13 55.810 0.300 . 1 . . . A 136 PHE CA . 18320 1 1644 . 1 1 136 136 PHE CB C 13 39.621 0.300 . 1 . . . A 136 PHE CB . 18320 1 1645 . 1 1 136 136 PHE CE1 C 13 132.356 0.300 . 3 . . . A 136 PHE CE1 . 18320 1 1646 . 1 1 136 136 PHE N N 15 123.681 0.300 . 1 . . . A 136 PHE N . 18320 1 1647 . 1 1 137 137 HIS H H 1 9.385 0.002 . 1 . . . A 137 HIS H . 18320 1 1648 . 1 1 137 137 HIS HA H 1 4.656 0.002 . 1 . . . A 137 HIS HA . 18320 1 1649 . 1 1 137 137 HIS HB2 H 1 3.052 0.002 . 2 . . . A 137 HIS HB2 . 18320 1 1650 . 1 1 137 137 HIS HB3 H 1 2.825 0.002 . 2 . . . A 137 HIS HB3 . 18320 1 1651 . 1 1 137 137 HIS HD2 H 1 6.714 0.002 . 1 . . . A 137 HIS HD2 . 18320 1 1652 . 1 1 137 137 HIS C C 13 174.401 0.300 . 1 . . . A 137 HIS C . 18320 1 1653 . 1 1 137 137 HIS CA C 13 54.621 0.300 . 1 . . . A 137 HIS CA . 18320 1 1654 . 1 1 137 137 HIS CB C 13 34.658 0.300 . 1 . . . A 137 HIS CB . 18320 1 1655 . 1 1 137 137 HIS N N 15 124.198 0.300 . 1 . . . A 137 HIS N . 18320 1 1656 . 1 1 138 138 GLU H H 1 8.687 0.002 . 1 . . . A 138 GLU H . 18320 1 1657 . 1 1 138 138 GLU HA H 1 4.596 0.002 . 1 . . . A 138 GLU HA . 18320 1 1658 . 1 1 138 138 GLU HB2 H 1 1.956 0.002 . 2 . . . A 138 GLU HB2 . 18320 1 1659 . 1 1 138 138 GLU HB3 H 1 1.956 0.002 . 2 . . . A 138 GLU HB3 . 18320 1 1660 . 1 1 138 138 GLU HG2 H 1 2.081 0.002 . 2 . . . A 138 GLU HG2 . 18320 1 1661 . 1 1 138 138 GLU HG3 H 1 2.110 0.002 . 2 . . . A 138 GLU HG3 . 18320 1 1662 . 1 1 138 138 GLU C C 13 176.395 0.300 . 1 . . . A 138 GLU C . 18320 1 1663 . 1 1 138 138 GLU CA C 13 56.986 0.300 . 1 . . . A 138 GLU CA . 18320 1 1664 . 1 1 138 138 GLU CB C 13 31.092 0.300 . 1 . . . A 138 GLU CB . 18320 1 1665 . 1 1 138 138 GLU CG C 13 36.966 0.300 . 1 . . . A 138 GLU CG . 18320 1 1666 . 1 1 138 138 GLU N N 15 125.695 0.300 . 1 . . . A 138 GLU N . 18320 1 1667 . 1 1 139 139 VAL H H 1 9.167 0.002 . 1 . . . A 139 VAL H . 18320 1 1668 . 1 1 139 139 VAL HA H 1 4.041 0.002 . 1 . . . A 139 VAL HA . 18320 1 1669 . 1 1 139 139 VAL HB H 1 2.142 0.002 . 1 . . . A 139 VAL HB . 18320 1 1670 . 1 1 139 139 VAL HG11 H 1 0.632 0.002 . 2 . . . A 139 VAL HG11 . 18320 1 1671 . 1 1 139 139 VAL HG12 H 1 0.632 0.002 . 2 . . . A 139 VAL HG12 . 18320 1 1672 . 1 1 139 139 VAL HG13 H 1 0.632 0.002 . 2 . . . A 139 VAL HG13 . 18320 1 1673 . 1 1 139 139 VAL HG21 H 1 0.694 0.002 . 2 . . . A 139 VAL HG21 . 18320 1 1674 . 1 1 139 139 VAL HG22 H 1 0.694 0.002 . 2 . . . A 139 VAL HG22 . 18320 1 1675 . 1 1 139 139 VAL HG23 H 1 0.694 0.002 . 2 . . . A 139 VAL HG23 . 18320 1 1676 . 1 1 139 139 VAL C C 13 176.776 0.300 . 1 . . . A 139 VAL C . 18320 1 1677 . 1 1 139 139 VAL CA C 13 63.541 0.300 . 1 . . . A 139 VAL CA . 18320 1 1678 . 1 1 139 139 VAL CB C 13 31.861 0.300 . 1 . . . A 139 VAL CB . 18320 1 1679 . 1 1 139 139 VAL CG1 C 13 22.839 0.300 . 2 . . . A 139 VAL CG1 . 18320 1 1680 . 1 1 139 139 VAL CG2 C 13 22.261 0.300 . 2 . . . A 139 VAL CG2 . 18320 1 1681 . 1 1 139 139 VAL N N 15 125.638 0.300 . 1 . . . A 139 VAL N . 18320 1 1682 . 1 1 140 140 SER H H 1 9.574 0.002 . 1 . . . A 140 SER H . 18320 1 1683 . 1 1 140 140 SER HA H 1 4.505 0.002 . 1 . . . A 140 SER HA . 18320 1 1684 . 1 1 140 140 SER HB2 H 1 3.587 0.002 . 2 . . . A 140 SER HB2 . 18320 1 1685 . 1 1 140 140 SER HB3 H 1 3.649 0.002 . 2 . . . A 140 SER HB3 . 18320 1 1686 . 1 1 140 140 SER C C 13 174.469 0.300 . 1 . . . A 140 SER C . 18320 1 1687 . 1 1 140 140 SER CA C 13 59.725 0.300 . 1 . . . A 140 SER CA . 18320 1 1688 . 1 1 140 140 SER CB C 13 64.262 0.300 . 1 . . . A 140 SER CB . 18320 1 1689 . 1 1 140 140 SER N N 15 127.375 0.300 . 1 . . . A 140 SER N . 18320 1 1690 . 1 1 141 141 SER H H 1 7.633 0.002 . 1 . . . A 141 SER H . 18320 1 1691 . 1 1 141 141 SER HA H 1 4.499 0.002 . 1 . . . A 141 SER HA . 18320 1 1692 . 1 1 141 141 SER HB2 H 1 3.761 0.002 . 2 . . . A 141 SER HB2 . 18320 1 1693 . 1 1 141 141 SER HB3 H 1 3.698 0.002 . 2 . . . A 141 SER HB3 . 18320 1 1694 . 1 1 141 141 SER C C 13 171.496 0.300 . 1 . . . A 141 SER C . 18320 1 1695 . 1 1 141 141 SER CA C 13 58.020 0.300 . 1 . . . A 141 SER CA . 18320 1 1696 . 1 1 141 141 SER CB C 13 64.809 0.300 . 1 . . . A 141 SER CB . 18320 1 1697 . 1 1 141 141 SER N N 15 112.596 0.300 . 1 . . . A 141 SER N . 18320 1 1698 . 1 1 142 142 VAL H H 1 8.332 0.002 . 1 . . . A 142 VAL H . 18320 1 1699 . 1 1 142 142 VAL HA H 1 5.085 0.002 . 1 . . . A 142 VAL HA . 18320 1 1700 . 1 1 142 142 VAL HB H 1 1.829 0.002 . 1 . . . A 142 VAL HB . 18320 1 1701 . 1 1 142 142 VAL HG11 H 1 0.767 0.002 . 2 . . . A 142 VAL HG11 . 18320 1 1702 . 1 1 142 142 VAL HG12 H 1 0.767 0.002 . 2 . . . A 142 VAL HG12 . 18320 1 1703 . 1 1 142 142 VAL HG13 H 1 0.767 0.002 . 2 . . . A 142 VAL HG13 . 18320 1 1704 . 1 1 142 142 VAL HG21 H 1 0.710 0.002 . 2 . . . A 142 VAL HG21 . 18320 1 1705 . 1 1 142 142 VAL HG22 H 1 0.710 0.002 . 2 . . . A 142 VAL HG22 . 18320 1 1706 . 1 1 142 142 VAL HG23 H 1 0.710 0.002 . 2 . . . A 142 VAL HG23 . 18320 1 1707 . 1 1 142 142 VAL C C 13 174.988 0.300 . 1 . . . A 142 VAL C . 18320 1 1708 . 1 1 142 142 VAL CA C 13 61.126 0.300 . 1 . . . A 142 VAL CA . 18320 1 1709 . 1 1 142 142 VAL CB C 13 35.465 0.300 . 1 . . . A 142 VAL CB . 18320 1 1710 . 1 1 142 142 VAL CG1 C 13 21.696 0.300 . 2 . . . A 142 VAL CG1 . 18320 1 1711 . 1 1 142 142 VAL CG2 C 13 21.046 0.300 . 2 . . . A 142 VAL CG2 . 18320 1 1712 . 1 1 142 142 VAL N N 15 120.003 0.300 . 1 . . . A 142 VAL N . 18320 1 1713 . 1 1 143 143 ARG H H 1 8.437 0.002 . 1 . . . A 143 ARG H . 18320 1 1714 . 1 1 143 143 ARG HA H 1 4.728 0.002 . 1 . . . A 143 ARG HA . 18320 1 1715 . 1 1 143 143 ARG HB2 H 1 1.863 0.002 . 2 . . . A 143 ARG HB2 . 18320 1 1716 . 1 1 143 143 ARG HB3 H 1 1.716 0.002 . 2 . . . A 143 ARG HB3 . 18320 1 1717 . 1 1 143 143 ARG HG2 H 1 1.638 0.002 . 2 . . . A 143 ARG HG2 . 18320 1 1718 . 1 1 143 143 ARG HG3 H 1 1.421 0.002 . 2 . . . A 143 ARG HG3 . 18320 1 1719 . 1 1 143 143 ARG HD2 H 1 3.064 0.002 . 2 . . . A 143 ARG HD2 . 18320 1 1720 . 1 1 143 143 ARG HD3 H 1 3.064 0.002 . 2 . . . A 143 ARG HD3 . 18320 1 1721 . 1 1 143 143 ARG C C 13 173.524 0.300 . 1 . . . A 143 ARG C . 18320 1 1722 . 1 1 143 143 ARG CA C 13 54.768 0.300 . 1 . . . A 143 ARG CA . 18320 1 1723 . 1 1 143 143 ARG CB C 13 33.835 0.300 . 1 . . . A 143 ARG CB . 18320 1 1724 . 1 1 143 143 ARG CG C 13 26.539 0.300 . 1 . . . A 143 ARG CG . 18320 1 1725 . 1 1 143 143 ARG CD C 13 43.702 0.300 . 1 . . . A 143 ARG CD . 18320 1 1726 . 1 1 143 143 ARG N N 15 122.539 0.300 . 1 . . . A 143 ARG N . 18320 1 1727 . 1 1 144 144 ILE H H 1 8.398 0.002 . 1 . . . A 144 ILE H . 18320 1 1728 . 1 1 144 144 ILE HA H 1 4.741 0.002 . 1 . . . A 144 ILE HA . 18320 1 1729 . 1 1 144 144 ILE HB H 1 1.650 0.002 . 1 . . . A 144 ILE HB . 18320 1 1730 . 1 1 144 144 ILE HG12 H 1 1.516 0.002 . 2 . . . A 144 ILE HG12 . 18320 1 1731 . 1 1 144 144 ILE HG13 H 1 0.985 0.002 . 2 . . . A 144 ILE HG13 . 18320 1 1732 . 1 1 144 144 ILE HG21 H 1 0.792 0.002 . 1 . . . A 144 ILE HG21 . 18320 1 1733 . 1 1 144 144 ILE HG22 H 1 0.792 0.002 . 1 . . . A 144 ILE HG22 . 18320 1 1734 . 1 1 144 144 ILE HG23 H 1 0.792 0.002 . 1 . . . A 144 ILE HG23 . 18320 1 1735 . 1 1 144 144 ILE HD11 H 1 0.754 0.002 . 1 . . . A 144 ILE HD11 . 18320 1 1736 . 1 1 144 144 ILE HD12 H 1 0.754 0.002 . 1 . . . A 144 ILE HD12 . 18320 1 1737 . 1 1 144 144 ILE HD13 H 1 0.754 0.002 . 1 . . . A 144 ILE HD13 . 18320 1 1738 . 1 1 144 144 ILE C C 13 176.564 0.300 . 1 . . . A 144 ILE C . 18320 1 1739 . 1 1 144 144 ILE CA C 13 60.667 0.300 . 1 . . . A 144 ILE CA . 18320 1 1740 . 1 1 144 144 ILE CB C 13 38.329 0.300 . 1 . . . A 144 ILE CB . 18320 1 1741 . 1 1 144 144 ILE CG1 C 13 28.305 0.300 . 1 . . . A 144 ILE CG1 . 18320 1 1742 . 1 1 144 144 ILE CG2 C 13 17.853 0.300 . 1 . . . A 144 ILE CG2 . 18320 1 1743 . 1 1 144 144 ILE CD1 C 13 13.001 0.300 . 1 . . . A 144 ILE CD1 . 18320 1 1744 . 1 1 144 144 ILE N N 15 122.940 0.300 . 1 . . . A 144 ILE N . 18320 1 1745 . 1 1 145 145 ILE H H 1 9.176 0.002 . 1 . . . A 145 ILE H . 18320 1 1746 . 1 1 145 145 ILE HA H 1 4.671 0.002 . 1 . . . A 145 ILE HA . 18320 1 1747 . 1 1 145 145 ILE HB H 1 1.796 0.002 . 1 . . . A 145 ILE HB . 18320 1 1748 . 1 1 145 145 ILE HG12 H 1 1.283 0.002 . 2 . . . A 145 ILE HG12 . 18320 1 1749 . 1 1 145 145 ILE HG13 H 1 0.784 0.002 . 2 . . . A 145 ILE HG13 . 18320 1 1750 . 1 1 145 145 ILE HG21 H 1 0.765 0.002 . 1 . . . A 145 ILE HG21 . 18320 1 1751 . 1 1 145 145 ILE HG22 H 1 0.765 0.002 . 1 . . . A 145 ILE HG22 . 18320 1 1752 . 1 1 145 145 ILE HG23 H 1 0.765 0.002 . 1 . . . A 145 ILE HG23 . 18320 1 1753 . 1 1 145 145 ILE HD11 H 1 0.736 0.002 . 1 . . . A 145 ILE HD11 . 18320 1 1754 . 1 1 145 145 ILE HD12 H 1 0.736 0.002 . 1 . . . A 145 ILE HD12 . 18320 1 1755 . 1 1 145 145 ILE HD13 H 1 0.736 0.002 . 1 . . . A 145 ILE HD13 . 18320 1 1756 . 1 1 145 145 ILE C C 13 175.094 0.300 . 1 . . . A 145 ILE C . 18320 1 1757 . 1 1 145 145 ILE CA C 13 59.016 0.300 . 1 . . . A 145 ILE CA . 18320 1 1758 . 1 1 145 145 ILE CB C 13 41.387 0.300 . 1 . . . A 145 ILE CB . 18320 1 1759 . 1 1 145 145 ILE CG1 C 13 26.303 0.300 . 1 . . . A 145 ILE CG1 . 18320 1 1760 . 1 1 145 145 ILE CG2 C 13 18.096 0.300 . 1 . . . A 145 ILE CG2 . 18320 1 1761 . 1 1 145 145 ILE CD1 C 13 13.375 0.300 . 1 . . . A 145 ILE CD1 . 18320 1 1762 . 1 1 145 145 ILE N N 15 122.362 0.300 . 1 . . . A 145 ILE N . 18320 1 1763 . 1 1 146 146 ASP H H 1 8.390 0.002 . 1 . . . A 146 ASP H . 18320 1 1764 . 1 1 146 146 ASP HA H 1 4.560 0.002 . 1 . . . A 146 ASP HA . 18320 1 1765 . 1 1 146 146 ASP HB2 H 1 2.477 0.002 . 2 . . . A 146 ASP HB2 . 18320 1 1766 . 1 1 146 146 ASP HB3 H 1 2.477 0.002 . 2 . . . A 146 ASP HB3 . 18320 1 1767 . 1 1 146 146 ASP C C 13 175.190 0.300 . 1 . . . A 146 ASP C . 18320 1 1768 . 1 1 146 146 ASP CA C 13 55.437 0.300 . 1 . . . A 146 ASP CA . 18320 1 1769 . 1 1 146 146 ASP CB C 13 41.088 0.300 . 1 . . . A 146 ASP CB . 18320 1 1770 . 1 1 146 146 ASP N N 15 122.990 0.300 . 1 . . . A 146 ASP N . 18320 1 1771 . 1 1 147 147 TYR H H 1 8.396 0.002 . 1 . . . A 147 TYR H . 18320 1 1772 . 1 1 147 147 TYR HA H 1 4.520 0.002 . 1 . . . A 147 TYR HA . 18320 1 1773 . 1 1 147 147 TYR HB2 H 1 2.573 0.002 . 2 . . . A 147 TYR HB2 . 18320 1 1774 . 1 1 147 147 TYR HB3 H 1 2.450 0.002 . 2 . . . A 147 TYR HB3 . 18320 1 1775 . 1 1 147 147 TYR HD1 H 1 7.084 0.002 . 3 . . . A 147 TYR HD1 . 18320 1 1776 . 1 1 147 147 TYR HD2 H 1 7.084 0.002 . 3 . . . A 147 TYR HD2 . 18320 1 1777 . 1 1 147 147 TYR HE1 H 1 6.843 0.002 . 3 . . . A 147 TYR HE1 . 18320 1 1778 . 1 1 147 147 TYR HE2 H 1 6.843 0.002 . 3 . . . A 147 TYR HE2 . 18320 1 1779 . 1 1 147 147 TYR C C 13 174.060 0.300 . 1 . . . A 147 TYR C . 18320 1 1780 . 1 1 147 147 TYR CA C 13 59.911 0.300 . 1 . . . A 147 TYR CA . 18320 1 1781 . 1 1 147 147 TYR CB C 13 42.677 0.300 . 1 . . . A 147 TYR CB . 18320 1 1782 . 1 1 147 147 TYR CE2 C 13 118.120 0.300 . 3 . . . A 147 TYR CE2 . 18320 1 1783 . 1 1 147 147 TYR N N 15 125.108 0.300 . 1 . . . A 147 TYR N . 18320 1 1784 . 1 1 148 148 ASN H H 1 8.863 0.002 . 1 . . . A 148 ASN H . 18320 1 1785 . 1 1 148 148 ASN HA H 1 4.491 0.002 . 1 . . . A 148 ASN HA . 18320 1 1786 . 1 1 148 148 ASN HB2 H 1 2.578 0.002 . 2 . . . A 148 ASN HB2 . 18320 1 1787 . 1 1 148 148 ASN HB3 H 1 2.578 0.002 . 2 . . . A 148 ASN HB3 . 18320 1 1788 . 1 1 148 148 ASN HD21 H 1 7.477 0.002 . 2 . . . A 148 ASN HD21 . 18320 1 1789 . 1 1 148 148 ASN HD22 H 1 6.915 0.002 . 2 . . . A 148 ASN HD22 . 18320 1 1790 . 1 1 148 148 ASN C C 13 173.649 0.300 . 1 . . . A 148 ASN C . 18320 1 1791 . 1 1 148 148 ASN CA C 13 53.953 0.300 . 1 . . . A 148 ASN CA . 18320 1 1792 . 1 1 148 148 ASN CB C 13 37.436 0.300 . 1 . . . A 148 ASN CB . 18320 1 1793 . 1 1 148 148 ASN CG C 13 176.961 0.300 . 1 . . . A 148 ASN CG . 18320 1 1794 . 1 1 148 148 ASN N N 15 118.814 0.300 . 1 . . . A 148 ASN N . 18320 1 1795 . 1 1 148 148 ASN ND2 N 15 113.647 0.300 . 1 . . . A 148 ASN ND2 . 18320 1 1796 . 1 1 149 149 ASN H H 1 7.585 0.002 . 1 . . . A 149 ASN H . 18320 1 1797 . 1 1 149 149 ASN HA H 1 4.122 0.002 . 1 . . . A 149 ASN HA . 18320 1 1798 . 1 1 149 149 ASN HB2 H 1 1.713 0.002 . 2 . . . A 149 ASN HB2 . 18320 1 1799 . 1 1 149 149 ASN HB3 H 1 1.713 0.002 . 2 . . . A 149 ASN HB3 . 18320 1 1800 . 1 1 149 149 ASN HD21 H 1 7.449 0.002 . 2 . . . A 149 ASN HD21 . 18320 1 1801 . 1 1 149 149 ASN HD22 H 1 7.043 0.002 . 2 . . . A 149 ASN HD22 . 18320 1 1802 . 1 1 149 149 ASN C C 13 173.934 0.300 . 1 . . . A 149 ASN C . 18320 1 1803 . 1 1 149 149 ASN CA C 13 51.636 0.300 . 1 . . . A 149 ASN CA . 18320 1 1804 . 1 1 149 149 ASN CB C 13 40.339 0.300 . 1 . . . A 149 ASN CB . 18320 1 1805 . 1 1 149 149 ASN N N 15 116.893 0.300 . 1 . . . A 149 ASN N . 18320 1 1806 . 1 1 149 149 ASN ND2 N 15 113.049 0.300 . 1 . . . A 149 ASN ND2 . 18320 1 1807 . 1 1 150 150 TRP H H 1 9.263 0.002 . 1 . . . A 150 TRP H . 18320 1 1808 . 1 1 150 150 TRP HA H 1 4.678 0.002 . 1 . . . A 150 TRP HA . 18320 1 1809 . 1 1 150 150 TRP HB2 H 1 2.987 0.002 . 2 . . . A 150 TRP HB2 . 18320 1 1810 . 1 1 150 150 TRP HB3 H 1 2.418 0.002 . 2 . . . A 150 TRP HB3 . 18320 1 1811 . 1 1 150 150 TRP HD1 H 1 7.335 0.002 . 1 . . . A 150 TRP HD1 . 18320 1 1812 . 1 1 150 150 TRP HE1 H 1 10.024 0.002 . 1 . . . A 150 TRP HE1 . 18320 1 1813 . 1 1 150 150 TRP HE3 H 1 6.792 0.002 . 1 . . . A 150 TRP HE3 . 18320 1 1814 . 1 1 150 150 TRP HZ3 H 1 6.942 0.002 . 1 . . . A 150 TRP HZ3 . 18320 1 1815 . 1 1 150 150 TRP C C 13 177.334 0.300 . 1 . . . A 150 TRP C . 18320 1 1816 . 1 1 150 150 TRP CA C 13 57.233 0.300 . 1 . . . A 150 TRP CA . 18320 1 1817 . 1 1 150 150 TRP CB C 13 31.258 0.300 . 1 . . . A 150 TRP CB . 18320 1 1818 . 1 1 150 150 TRP N N 15 120.709 0.300 . 1 . . . A 150 TRP N . 18320 1 1819 . 1 1 150 150 TRP NE1 N 15 129.466 0.300 . 1 . . . A 150 TRP NE1 . 18320 1 1820 . 1 1 151 151 VAL H H 1 9.823 0.002 . 1 . . . A 151 VAL H . 18320 1 1821 . 1 1 151 151 VAL HA H 1 4.979 0.002 . 1 . . . A 151 VAL HA . 18320 1 1822 . 1 1 151 151 VAL HB H 1 1.907 0.002 . 1 . . . A 151 VAL HB . 18320 1 1823 . 1 1 151 151 VAL HG11 H 1 0.780 0.002 . 2 . . . A 151 VAL HG11 . 18320 1 1824 . 1 1 151 151 VAL HG12 H 1 0.780 0.002 . 2 . . . A 151 VAL HG12 . 18320 1 1825 . 1 1 151 151 VAL HG13 H 1 0.780 0.002 . 2 . . . A 151 VAL HG13 . 18320 1 1826 . 1 1 151 151 VAL HG21 H 1 0.758 0.002 . 2 . . . A 151 VAL HG21 . 18320 1 1827 . 1 1 151 151 VAL HG22 H 1 0.758 0.002 . 2 . . . A 151 VAL HG22 . 18320 1 1828 . 1 1 151 151 VAL HG23 H 1 0.758 0.002 . 2 . . . A 151 VAL HG23 . 18320 1 1829 . 1 1 151 151 VAL C C 13 174.470 0.300 . 1 . . . A 151 VAL C . 18320 1 1830 . 1 1 151 151 VAL CA C 13 59.841 0.300 . 1 . . . A 151 VAL CA . 18320 1 1831 . 1 1 151 151 VAL CB C 13 33.993 0.300 . 1 . . . A 151 VAL CB . 18320 1 1832 . 1 1 151 151 VAL CG1 C 13 25.037 0.300 . 2 . . . A 151 VAL CG1 . 18320 1 1833 . 1 1 151 151 VAL CG2 C 13 20.452 0.300 . 2 . . . A 151 VAL CG2 . 18320 1 1834 . 1 1 151 151 VAL N N 15 123.128 0.300 . 1 . . . A 151 VAL N . 18320 1 1835 . 1 1 152 152 TYR H H 1 8.845 0.002 . 1 . . . A 152 TYR H . 18320 1 1836 . 1 1 152 152 TYR HA H 1 5.641 0.002 . 1 . . . A 152 TYR HA . 18320 1 1837 . 1 1 152 152 TYR HB2 H 1 2.574 0.002 . 2 . . . A 152 TYR HB2 . 18320 1 1838 . 1 1 152 152 TYR HB3 H 1 2.357 0.002 . 2 . . . A 152 TYR HB3 . 18320 1 1839 . 1 1 152 152 TYR HD1 H 1 6.860 0.002 . 3 . . . A 152 TYR HD1 . 18320 1 1840 . 1 1 152 152 TYR HD2 H 1 6.860 0.002 . 3 . . . A 152 TYR HD2 . 18320 1 1841 . 1 1 152 152 TYR C C 13 175.174 0.300 . 1 . . . A 152 TYR C . 18320 1 1842 . 1 1 152 152 TYR CA C 13 56.937 0.300 . 1 . . . A 152 TYR CA . 18320 1 1843 . 1 1 152 152 TYR CB C 13 46.572 0.300 . 1 . . . A 152 TYR CB . 18320 1 1844 . 1 1 152 152 TYR N N 15 116.381 0.300 . 1 . . . A 152 TYR N . 18320 1 1845 . 1 1 153 153 ASP H H 1 9.159 0.002 . 1 . . . A 153 ASP H . 18320 1 1846 . 1 1 153 153 ASP HA H 1 4.942 0.002 . 1 . . . A 153 ASP HA . 18320 1 1847 . 1 1 153 153 ASP HB2 H 1 2.640 0.002 . 2 . . . A 153 ASP HB2 . 18320 1 1848 . 1 1 153 153 ASP HB3 H 1 2.414 0.002 . 2 . . . A 153 ASP HB3 . 18320 1 1849 . 1 1 153 153 ASP CA C 13 53.483 0.300 . 1 . . . A 153 ASP CA . 18320 1 1850 . 1 1 153 153 ASP CB C 13 45.493 0.300 . 1 . . . A 153 ASP CB . 18320 1 1851 . 1 1 153 153 ASP N N 15 115.132 0.300 . 1 . . . A 153 ASP N . 18320 1 1852 . 1 1 154 154 LEU H H 1 7.726 0.002 . 1 . . . A 154 LEU H . 18320 1 1853 . 1 1 154 154 LEU HA H 1 4.769 0.002 . 1 . . . A 154 LEU HA . 18320 1 1854 . 1 1 154 154 LEU HB2 H 1 0.978 0.002 . 2 . . . A 154 LEU HB2 . 18320 1 1855 . 1 1 154 154 LEU HB3 H 1 1.700 0.002 . 2 . . . A 154 LEU HB3 . 18320 1 1856 . 1 1 154 154 LEU HG H 1 1.032 0.002 . 1 . . . A 154 LEU HG . 18320 1 1857 . 1 1 154 154 LEU HD11 H 1 -0.008 0.002 . 2 . . . A 154 LEU HD11 . 18320 1 1858 . 1 1 154 154 LEU HD12 H 1 -0.008 0.002 . 2 . . . A 154 LEU HD12 . 18320 1 1859 . 1 1 154 154 LEU HD13 H 1 -0.008 0.002 . 2 . . . A 154 LEU HD13 . 18320 1 1860 . 1 1 154 154 LEU HD21 H 1 0.254 0.002 . 2 . . . A 154 LEU HD21 . 18320 1 1861 . 1 1 154 154 LEU HD22 H 1 0.254 0.002 . 2 . . . A 154 LEU HD22 . 18320 1 1862 . 1 1 154 154 LEU HD23 H 1 0.254 0.002 . 2 . . . A 154 LEU HD23 . 18320 1 1863 . 1 1 154 154 LEU C C 13 174.350 0.300 . 1 . . . A 154 LEU C . 18320 1 1864 . 1 1 154 154 LEU CA C 13 53.766 0.300 . 1 . . . A 154 LEU CA . 18320 1 1865 . 1 1 154 154 LEU CB C 13 44.007 0.300 . 1 . . . A 154 LEU CB . 18320 1 1866 . 1 1 154 154 LEU CG C 13 27.183 0.300 . 1 . . . A 154 LEU CG . 18320 1 1867 . 1 1 154 154 LEU CD1 C 13 24.712 0.300 . 2 . . . A 154 LEU CD1 . 18320 1 1868 . 1 1 154 154 LEU CD2 C 13 24.494 0.300 . 2 . . . A 154 LEU CD2 . 18320 1 1869 . 1 1 154 154 LEU N N 15 125.403 0.300 . 1 . . . A 154 LEU N . 18320 1 1870 . 1 1 155 155 VAL H H 1 7.987 0.002 . 1 . . . A 155 VAL H . 18320 1 1871 . 1 1 155 155 VAL HA H 1 3.325 0.002 . 1 . . . A 155 VAL HA . 18320 1 1872 . 1 1 155 155 VAL HB H 1 1.107 0.002 . 1 . . . A 155 VAL HB . 18320 1 1873 . 1 1 155 155 VAL HG11 H 1 0.571 0.002 . 2 . . . A 155 VAL HG11 . 18320 1 1874 . 1 1 155 155 VAL HG12 H 1 0.571 0.002 . 2 . . . A 155 VAL HG12 . 18320 1 1875 . 1 1 155 155 VAL HG13 H 1 0.571 0.002 . 2 . . . A 155 VAL HG13 . 18320 1 1876 . 1 1 155 155 VAL HG21 H 1 0.380 0.002 . 2 . . . A 155 VAL HG21 . 18320 1 1877 . 1 1 155 155 VAL HG22 H 1 0.380 0.002 . 2 . . . A 155 VAL HG22 . 18320 1 1878 . 1 1 155 155 VAL HG23 H 1 0.380 0.002 . 2 . . . A 155 VAL HG23 . 18320 1 1879 . 1 1 155 155 VAL C C 13 171.326 0.300 . 1 . . . A 155 VAL C . 18320 1 1880 . 1 1 155 155 VAL CA C 13 65.594 0.300 . 1 . . . A 155 VAL CA . 18320 1 1881 . 1 1 155 155 VAL CB C 13 31.323 0.300 . 1 . . . A 155 VAL CB . 18320 1 1882 . 1 1 155 155 VAL CG1 C 13 20.624 0.300 . 2 . . . A 155 VAL CG1 . 18320 1 1883 . 1 1 155 155 VAL CG2 C 13 21.395 0.300 . 2 . . . A 155 VAL CG2 . 18320 1 1884 . 1 1 155 155 VAL N N 15 123.814 0.300 . 1 . . . A 155 VAL N . 18320 1 1885 . 1 1 156 156 ILE H H 1 8.405 0.002 . 1 . . . A 156 ILE H . 18320 1 1886 . 1 1 156 156 ILE HA H 1 4.590 0.002 . 1 . . . A 156 ILE HA . 18320 1 1887 . 1 1 156 156 ILE HB H 1 1.858 0.002 . 1 . . . A 156 ILE HB . 18320 1 1888 . 1 1 156 156 ILE HG12 H 1 1.280 0.002 . 2 . . . A 156 ILE HG12 . 18320 1 1889 . 1 1 156 156 ILE HG13 H 1 1.684 0.002 . 2 . . . A 156 ILE HG13 . 18320 1 1890 . 1 1 156 156 ILE HG21 H 1 0.843 0.002 . 1 . . . A 156 ILE HG21 . 18320 1 1891 . 1 1 156 156 ILE HG22 H 1 0.843 0.002 . 1 . . . A 156 ILE HG22 . 18320 1 1892 . 1 1 156 156 ILE HG23 H 1 0.843 0.002 . 1 . . . A 156 ILE HG23 . 18320 1 1893 . 1 1 156 156 ILE HD11 H 1 0.494 0.002 . 1 . . . A 156 ILE HD11 . 18320 1 1894 . 1 1 156 156 ILE HD12 H 1 0.494 0.002 . 1 . . . A 156 ILE HD12 . 18320 1 1895 . 1 1 156 156 ILE HD13 H 1 0.494 0.002 . 1 . . . A 156 ILE HD13 . 18320 1 1896 . 1 1 156 156 ILE CA C 13 56.221 0.300 . 1 . . . A 156 ILE CA . 18320 1 1897 . 1 1 156 156 ILE CB C 13 37.152 0.300 . 1 . . . A 156 ILE CB . 18320 1 1898 . 1 1 156 156 ILE CG1 C 13 26.109 0.300 . 1 . . . A 156 ILE CG1 . 18320 1 1899 . 1 1 156 156 ILE CG2 C 13 19.313 0.300 . 1 . . . A 156 ILE CG2 . 18320 1 1900 . 1 1 156 156 ILE CD1 C 13 12.984 0.300 . 1 . . . A 156 ILE CD1 . 18320 1 1901 . 1 1 156 156 ILE N N 15 129.817 0.300 . 1 . . . A 156 ILE N . 18320 1 1902 . 1 1 157 157 PRO HA H 1 3.960 0.002 . 1 . . . A 157 PRO HA . 18320 1 1903 . 1 1 157 157 PRO HB2 H 1 2.249 0.002 . 2 . . . A 157 PRO HB2 . 18320 1 1904 . 1 1 157 157 PRO HB3 H 1 1.813 0.002 . 2 . . . A 157 PRO HB3 . 18320 1 1905 . 1 1 157 157 PRO HG2 H 1 1.811 0.002 . 2 . . . A 157 PRO HG2 . 18320 1 1906 . 1 1 157 157 PRO HG3 H 1 1.966 0.002 . 2 . . . A 157 PRO HG3 . 18320 1 1907 . 1 1 157 157 PRO HD2 H 1 3.785 0.002 . 2 . . . A 157 PRO HD2 . 18320 1 1908 . 1 1 157 157 PRO HD3 H 1 3.785 0.002 . 2 . . . A 157 PRO HD3 . 18320 1 1909 . 1 1 157 157 PRO C C 13 177.753 0.300 . 1 . . . A 157 PRO C . 18320 1 1910 . 1 1 157 157 PRO CA C 13 64.867 0.300 . 1 . . . A 157 PRO CA . 18320 1 1911 . 1 1 157 157 PRO CB C 13 32.242 0.300 . 1 . . . A 157 PRO CB . 18320 1 1912 . 1 1 157 157 PRO CG C 13 27.460 0.300 . 1 . . . A 157 PRO CG . 18320 1 1913 . 1 1 157 157 PRO CD C 13 50.312 0.300 . 1 . . . A 157 PRO CD . 18320 1 1914 . 1 1 158 158 GLU H H 1 8.514 0.002 . 1 . . . A 158 GLU H . 18320 1 1915 . 1 1 158 158 GLU HA H 1 3.798 0.002 . 1 . . . A 158 GLU HA . 18320 1 1916 . 1 1 158 158 GLU HB2 H 1 2.051 0.002 . 2 . . . A 158 GLU HB2 . 18320 1 1917 . 1 1 158 158 GLU HB3 H 1 1.872 0.002 . 2 . . . A 158 GLU HB3 . 18320 1 1918 . 1 1 158 158 GLU HG2 H 1 2.263 0.002 . 2 . . . A 158 GLU HG2 . 18320 1 1919 . 1 1 158 158 GLU HG3 H 1 2.263 0.002 . 2 . . . A 158 GLU HG3 . 18320 1 1920 . 1 1 158 158 GLU C C 13 177.331 0.300 . 1 . . . A 158 GLU C . 18320 1 1921 . 1 1 158 158 GLU CA C 13 60.352 0.300 . 1 . . . A 158 GLU CA . 18320 1 1922 . 1 1 158 158 GLU CB C 13 29.790 0.300 . 1 . . . A 158 GLU CB . 18320 1 1923 . 1 1 158 158 GLU CG C 13 36.098 0.300 . 1 . . . A 158 GLU CG . 18320 1 1924 . 1 1 158 158 GLU N N 15 114.041 0.300 . 1 . . . A 158 GLU N . 18320 1 1925 . 1 1 159 159 THR HA H 1 4.293 0.002 . 1 . . . A 159 THR HA . 18320 1 1926 . 1 1 159 159 THR HB H 1 4.112 0.002 . 1 . . . A 159 THR HB . 18320 1 1927 . 1 1 159 159 THR HG21 H 1 0.999 0.002 . 1 . . . A 159 THR HG21 . 18320 1 1928 . 1 1 159 159 THR HG22 H 1 0.999 0.002 . 1 . . . A 159 THR HG22 . 18320 1 1929 . 1 1 159 159 THR HG23 H 1 0.999 0.002 . 1 . . . A 159 THR HG23 . 18320 1 1930 . 1 1 159 159 THR CA C 13 61.164 0.300 . 1 . . . A 159 THR CA . 18320 1 1931 . 1 1 159 159 THR CB C 13 69.357 0.300 . 1 . . . A 159 THR CB . 18320 1 1932 . 1 1 159 159 THR CG2 C 13 22.460 0.300 . 1 . . . A 159 THR CG2 . 18320 1 1933 . 1 1 160 160 HIS HA H 1 4.558 0.002 . 1 . . . A 160 HIS HA . 18320 1 1934 . 1 1 160 160 HIS HB2 H 1 2.984 0.002 . 2 . . . A 160 HIS HB2 . 18320 1 1935 . 1 1 160 160 HIS HB3 H 1 2.813 0.002 . 2 . . . A 160 HIS HB3 . 18320 1 1936 . 1 1 160 160 HIS HD2 H 1 7.113 0.002 . 1 . . . A 160 HIS HD2 . 18320 1 1937 . 1 1 160 160 HIS CA C 13 56.471 0.300 . 1 . . . A 160 HIS CA . 18320 1 1938 . 1 1 160 160 HIS CB C 13 26.949 0.300 . 1 . . . A 160 HIS CB . 18320 1 1939 . 1 1 160 160 HIS CD2 C 13 120.559 0.300 . 1 . . . A 160 HIS CD2 . 18320 1 1940 . 1 1 161 161 ASN H H 1 7.409 0.002 . 1 . . . A 161 ASN H . 18320 1 1941 . 1 1 161 161 ASN HA H 1 5.495 0.002 . 1 . . . A 161 ASN HA . 18320 1 1942 . 1 1 161 161 ASN HB2 H 1 2.543 0.002 . 2 . . . A 161 ASN HB2 . 18320 1 1943 . 1 1 161 161 ASN HB3 H 1 2.359 0.002 . 2 . . . A 161 ASN HB3 . 18320 1 1944 . 1 1 161 161 ASN HD21 H 1 8.020 0.002 . 2 . . . A 161 ASN HD21 . 18320 1 1945 . 1 1 161 161 ASN HD22 H 1 6.818 0.002 . 2 . . . A 161 ASN HD22 . 18320 1 1946 . 1 1 161 161 ASN C C 13 172.784 0.300 . 1 . . . A 161 ASN C . 18320 1 1947 . 1 1 161 161 ASN CA C 13 53.627 0.300 . 1 . . . A 161 ASN CA . 18320 1 1948 . 1 1 161 161 ASN CB C 13 43.014 0.300 . 1 . . . A 161 ASN CB . 18320 1 1949 . 1 1 161 161 ASN N N 15 112.009 0.300 . 1 . . . A 161 ASN N . 18320 1 1950 . 1 1 161 161 ASN ND2 N 15 113.641 0.300 . 1 . . . A 161 ASN ND2 . 18320 1 1951 . 1 1 162 162 PHE H H 1 9.122 0.002 . 1 . . . A 162 PHE H . 18320 1 1952 . 1 1 162 162 PHE HA H 1 5.669 0.002 . 1 . . . A 162 PHE HA . 18320 1 1953 . 1 1 162 162 PHE HB2 H 1 3.354 0.002 . 2 . . . A 162 PHE HB2 . 18320 1 1954 . 1 1 162 162 PHE HB3 H 1 2.995 0.002 . 2 . . . A 162 PHE HB3 . 18320 1 1955 . 1 1 162 162 PHE HD1 H 1 7.260 0.002 . 3 . . . A 162 PHE HD1 . 18320 1 1956 . 1 1 162 162 PHE HD2 H 1 7.260 0.002 . 3 . . . A 162 PHE HD2 . 18320 1 1957 . 1 1 162 162 PHE C C 13 172.062 0.300 . 1 . . . A 162 PHE C . 18320 1 1958 . 1 1 162 162 PHE CA C 13 55.767 0.300 . 1 . . . A 162 PHE CA . 18320 1 1959 . 1 1 162 162 PHE CB C 13 42.015 0.300 . 1 . . . A 162 PHE CB . 18320 1 1960 . 1 1 162 162 PHE N N 15 117.936 0.300 . 1 . . . A 162 PHE N . 18320 1 1961 . 1 1 163 163 ILE H H 1 8.138 0.002 . 1 . . . A 163 ILE H . 18320 1 1962 . 1 1 163 163 ILE HA H 1 4.525 0.002 . 1 . . . A 163 ILE HA . 18320 1 1963 . 1 1 163 163 ILE HB H 1 1.448 0.002 . 1 . . . A 163 ILE HB . 18320 1 1964 . 1 1 163 163 ILE HG12 H 1 0.796 0.002 . 2 . . . A 163 ILE HG12 . 18320 1 1965 . 1 1 163 163 ILE HG13 H 1 0.796 0.002 . 2 . . . A 163 ILE HG13 . 18320 1 1966 . 1 1 163 163 ILE HG21 H 1 0.829 0.002 . 1 . . . A 163 ILE HG21 . 18320 1 1967 . 1 1 163 163 ILE HG22 H 1 0.829 0.002 . 1 . . . A 163 ILE HG22 . 18320 1 1968 . 1 1 163 163 ILE HG23 H 1 0.829 0.002 . 1 . . . A 163 ILE HG23 . 18320 1 1969 . 1 1 163 163 ILE HD11 H 1 0.611 0.002 . 1 . . . A 163 ILE HD11 . 18320 1 1970 . 1 1 163 163 ILE HD12 H 1 0.611 0.002 . 1 . . . A 163 ILE HD12 . 18320 1 1971 . 1 1 163 163 ILE HD13 H 1 0.611 0.002 . 1 . . . A 163 ILE HD13 . 18320 1 1972 . 1 1 163 163 ILE C C 13 175.944 0.300 . 1 . . . A 163 ILE C . 18320 1 1973 . 1 1 163 163 ILE CA C 13 60.419 0.300 . 1 . . . A 163 ILE CA . 18320 1 1974 . 1 1 163 163 ILE CB C 13 39.099 0.300 . 1 . . . A 163 ILE CB . 18320 1 1975 . 1 1 163 163 ILE CG1 C 13 28.310 0.300 . 1 . . . A 163 ILE CG1 . 18320 1 1976 . 1 1 163 163 ILE CG2 C 13 17.928 0.300 . 1 . . . A 163 ILE CG2 . 18320 1 1977 . 1 1 163 163 ILE CD1 C 13 14.364 0.300 . 1 . . . A 163 ILE CD1 . 18320 1 1978 . 1 1 163 163 ILE N N 15 118.944 0.300 . 1 . . . A 163 ILE N . 18320 1 1979 . 1 1 164 164 ALA H H 1 8.855 0.002 . 1 . . . A 164 ALA H . 18320 1 1980 . 1 1 164 164 ALA HA H 1 4.626 0.002 . 1 . . . A 164 ALA HA . 18320 1 1981 . 1 1 164 164 ALA HB1 H 1 1.485 0.002 . 1 . . . A 164 ALA HB1 . 18320 1 1982 . 1 1 164 164 ALA HB2 H 1 1.485 0.002 . 1 . . . A 164 ALA HB2 . 18320 1 1983 . 1 1 164 164 ALA HB3 H 1 1.485 0.002 . 1 . . . A 164 ALA HB3 . 18320 1 1984 . 1 1 164 164 ALA C C 13 176.524 0.300 . 1 . . . A 164 ALA C . 18320 1 1985 . 1 1 164 164 ALA CA C 13 50.869 0.300 . 1 . . . A 164 ALA CA . 18320 1 1986 . 1 1 164 164 ALA CB C 13 18.245 0.300 . 1 . . . A 164 ALA CB . 18320 1 1987 . 1 1 164 164 ALA N N 15 130.875 0.300 . 1 . . . A 164 ALA N . 18320 1 1988 . 1 1 165 165 PRO HA H 1 4.055 0.002 . 1 . . . A 165 PRO HA . 18320 1 1989 . 1 1 165 165 PRO HB2 H 1 2.328 0.002 . 2 . . . A 165 PRO HB2 . 18320 1 1990 . 1 1 165 165 PRO HB3 H 1 1.968 0.002 . 2 . . . A 165 PRO HB3 . 18320 1 1991 . 1 1 165 165 PRO HG2 H 1 1.836 0.002 . 2 . . . A 165 PRO HG2 . 18320 1 1992 . 1 1 165 165 PRO HG3 H 1 2.036 0.002 . 2 . . . A 165 PRO HG3 . 18320 1 1993 . 1 1 165 165 PRO HD2 H 1 3.725 0.002 . 2 . . . A 165 PRO HD2 . 18320 1 1994 . 1 1 165 165 PRO HD3 H 1 3.605 0.002 . 2 . . . A 165 PRO HD3 . 18320 1 1995 . 1 1 165 165 PRO C C 13 175.696 0.300 . 1 . . . A 165 PRO C . 18320 1 1996 . 1 1 165 165 PRO CA C 13 65.412 0.300 . 1 . . . A 165 PRO CA . 18320 1 1997 . 1 1 165 165 PRO CB C 13 31.471 0.300 . 1 . . . A 165 PRO CB . 18320 1 1998 . 1 1 165 165 PRO CG C 13 28.489 0.300 . 1 . . . A 165 PRO CG . 18320 1 1999 . 1 1 165 165 PRO CD C 13 51.000 0.300 . 1 . . . A 165 PRO CD . 18320 1 2000 . 1 1 166 166 ASN H H 1 7.110 0.002 . 1 . . . A 166 ASN H . 18320 1 2001 . 1 1 166 166 ASN HA H 1 4.406 0.002 . 1 . . . A 166 ASN HA . 18320 1 2002 . 1 1 166 166 ASN HB2 H 1 2.478 0.002 . 2 . . . A 166 ASN HB2 . 18320 1 2003 . 1 1 166 166 ASN HB3 H 1 2.273 0.002 . 2 . . . A 166 ASN HB3 . 18320 1 2004 . 1 1 166 166 ASN HD21 H 1 5.728 0.002 . 2 . . . A 166 ASN HD21 . 18320 1 2005 . 1 1 166 166 ASN HD22 H 1 5.320 0.002 . 2 . . . A 166 ASN HD22 . 18320 1 2006 . 1 1 166 166 ASN C C 13 175.829 0.300 . 1 . . . A 166 ASN C . 18320 1 2007 . 1 1 166 166 ASN CA C 13 51.700 0.300 . 1 . . . A 166 ASN CA . 18320 1 2008 . 1 1 166 166 ASN CB C 13 36.810 0.300 . 1 . . . A 166 ASN CB . 18320 1 2009 . 1 1 166 166 ASN N N 15 110.242 0.300 . 1 . . . A 166 ASN N . 18320 1 2010 . 1 1 166 166 ASN ND2 N 15 105.601 0.300 . 1 . . . A 166 ASN ND2 . 18320 1 2011 . 1 1 167 167 GLY H H 1 8.382 0.002 . 1 . . . A 167 GLY H . 18320 1 2012 . 1 1 167 167 GLY HA2 H 1 3.138 0.002 . 2 . . . A 167 GLY HA2 . 18320 1 2013 . 1 1 167 167 GLY HA3 H 1 4.443 0.002 . 2 . . . A 167 GLY HA3 . 18320 1 2014 . 1 1 167 167 GLY C C 13 174.016 0.300 . 1 . . . A 167 GLY C . 18320 1 2015 . 1 1 167 167 GLY CA C 13 44.914 0.300 . 1 . . . A 167 GLY CA . 18320 1 2016 . 1 1 167 167 GLY N N 15 107.896 0.300 . 1 . . . A 167 GLY N . 18320 1 2017 . 1 1 168 168 LEU H H 1 7.253 0.002 . 1 . . . A 168 LEU H . 18320 1 2018 . 1 1 168 168 LEU HA H 1 4.056 0.002 . 1 . . . A 168 LEU HA . 18320 1 2019 . 1 1 168 168 LEU HB2 H 1 1.506 0.002 . 2 . . . A 168 LEU HB2 . 18320 1 2020 . 1 1 168 168 LEU HB3 H 1 0.952 0.002 . 2 . . . A 168 LEU HB3 . 18320 1 2021 . 1 1 168 168 LEU HG H 1 1.071 0.002 . 1 . . . A 168 LEU HG . 18320 1 2022 . 1 1 168 168 LEU HD11 H 1 0.429 0.002 . 2 . . . A 168 LEU HD11 . 18320 1 2023 . 1 1 168 168 LEU HD12 H 1 0.429 0.002 . 2 . . . A 168 LEU HD12 . 18320 1 2024 . 1 1 168 168 LEU HD13 H 1 0.429 0.002 . 2 . . . A 168 LEU HD13 . 18320 1 2025 . 1 1 168 168 LEU HD21 H 1 0.117 0.002 . 2 . . . A 168 LEU HD21 . 18320 1 2026 . 1 1 168 168 LEU HD22 H 1 0.117 0.002 . 2 . . . A 168 LEU HD22 . 18320 1 2027 . 1 1 168 168 LEU HD23 H 1 0.117 0.002 . 2 . . . A 168 LEU HD23 . 18320 1 2028 . 1 1 168 168 LEU C C 13 175.183 0.300 . 1 . . . A 168 LEU C . 18320 1 2029 . 1 1 168 168 LEU CA C 13 55.870 0.300 . 1 . . . A 168 LEU CA . 18320 1 2030 . 1 1 168 168 LEU CB C 13 40.912 0.300 . 1 . . . A 168 LEU CB . 18320 1 2031 . 1 1 168 168 LEU CG C 13 26.622 0.300 . 1 . . . A 168 LEU CG . 18320 1 2032 . 1 1 168 168 LEU CD1 C 13 25.859 0.300 . 2 . . . A 168 LEU CD1 . 18320 1 2033 . 1 1 168 168 LEU CD2 C 13 22.071 0.300 . 2 . . . A 168 LEU CD2 . 18320 1 2034 . 1 1 168 168 LEU N N 15 118.313 0.300 . 1 . . . A 168 LEU N . 18320 1 2035 . 1 1 169 169 VAL HA H 1 4.140 0.002 . 1 . . . A 169 VAL HA . 18320 1 2036 . 1 1 169 169 VAL HB H 1 2.008 0.002 . 1 . . . A 169 VAL HB . 18320 1 2037 . 1 1 169 169 VAL HG11 H 1 0.864 0.002 . 2 . . . A 169 VAL HG11 . 18320 1 2038 . 1 1 169 169 VAL HG12 H 1 0.864 0.002 . 2 . . . A 169 VAL HG12 . 18320 1 2039 . 1 1 169 169 VAL HG13 H 1 0.864 0.002 . 2 . . . A 169 VAL HG13 . 18320 1 2040 . 1 1 169 169 VAL HG21 H 1 0.814 0.002 . 2 . . . A 169 VAL HG21 . 18320 1 2041 . 1 1 169 169 VAL HG22 H 1 0.814 0.002 . 2 . . . A 169 VAL HG22 . 18320 1 2042 . 1 1 169 169 VAL HG23 H 1 0.814 0.002 . 2 . . . A 169 VAL HG23 . 18320 1 2043 . 1 1 169 169 VAL C C 13 175.014 0.300 . 1 . . . A 169 VAL C . 18320 1 2044 . 1 1 169 169 VAL CA C 13 62.028 0.300 . 1 . . . A 169 VAL CA . 18320 1 2045 . 1 1 169 169 VAL CB C 13 31.514 0.300 . 1 . . . A 169 VAL CB . 18320 1 2046 . 1 1 169 169 VAL CG1 C 13 22.137 0.300 . 2 . . . A 169 VAL CG1 . 18320 1 2047 . 1 1 169 169 VAL CG2 C 13 21.394 0.300 . 2 . . . A 169 VAL CG2 . 18320 1 2048 . 1 1 170 170 LEU H H 1 8.994 0.002 . 1 . . . A 170 LEU H . 18320 1 2049 . 1 1 170 170 LEU HA H 1 4.730 0.002 . 1 . . . A 170 LEU HA . 18320 1 2050 . 1 1 170 170 LEU HB2 H 1 1.029 0.002 . 2 . . . A 170 LEU HB2 . 18320 1 2051 . 1 1 170 170 LEU HB3 H 1 0.700 0.002 . 2 . . . A 170 LEU HB3 . 18320 1 2052 . 1 1 170 170 LEU HG H 1 1.231 0.002 . 1 . . . A 170 LEU HG . 18320 1 2053 . 1 1 170 170 LEU HD11 H 1 0.614 0.002 . 2 . . . A 170 LEU HD11 . 18320 1 2054 . 1 1 170 170 LEU HD12 H 1 0.614 0.002 . 2 . . . A 170 LEU HD12 . 18320 1 2055 . 1 1 170 170 LEU HD13 H 1 0.614 0.002 . 2 . . . A 170 LEU HD13 . 18320 1 2056 . 1 1 170 170 LEU HD21 H 1 0.394 0.002 . 2 . . . A 170 LEU HD21 . 18320 1 2057 . 1 1 170 170 LEU HD22 H 1 0.394 0.002 . 2 . . . A 170 LEU HD22 . 18320 1 2058 . 1 1 170 170 LEU HD23 H 1 0.394 0.002 . 2 . . . A 170 LEU HD23 . 18320 1 2059 . 1 1 170 170 LEU CA C 13 53.221 0.300 . 1 . . . A 170 LEU CA . 18320 1 2060 . 1 1 170 170 LEU CB C 13 41.853 0.300 . 1 . . . A 170 LEU CB . 18320 1 2061 . 1 1 170 170 LEU CG C 13 27.236 0.300 . 1 . . . A 170 LEU CG . 18320 1 2062 . 1 1 170 170 LEU CD1 C 13 23.836 0.300 . 2 . . . A 170 LEU CD1 . 18320 1 2063 . 1 1 170 170 LEU CD2 C 13 25.214 0.300 . 2 . . . A 170 LEU CD2 . 18320 1 2064 . 1 1 170 170 LEU N N 15 130.247 0.300 . 1 . . . A 170 LEU N . 18320 1 2065 . 1 1 171 171 HIS HA H 1 4.565 0.002 . 1 . . . A 171 HIS HA . 18320 1 2066 . 1 1 171 171 HIS HB2 H 1 2.560 0.002 . 2 . . . A 171 HIS HB2 . 18320 1 2067 . 1 1 171 171 HIS HB3 H 1 2.798 0.002 . 2 . . . A 171 HIS HB3 . 18320 1 2068 . 1 1 171 171 HIS CA C 13 55.528 0.300 . 1 . . . A 171 HIS CA . 18320 1 2069 . 1 1 172 172 ASN H H 1 7.857 0.002 . 1 . . . A 172 ASN H . 18320 1 2070 . 1 1 172 172 ASN HA H 1 4.714 0.002 . 1 . . . A 172 ASN HA . 18320 1 2071 . 1 1 172 172 ASN HB2 H 1 2.726 0.002 . 2 . . . A 172 ASN HB2 . 18320 1 2072 . 1 1 172 172 ASN HB3 H 1 3.139 0.002 . 2 . . . A 172 ASN HB3 . 18320 1 2073 . 1 1 172 172 ASN CA C 13 55.849 0.300 . 1 . . . A 172 ASN CA . 18320 1 2074 . 1 1 172 172 ASN N N 15 125.325 0.300 . 1 . . . A 172 ASN N . 18320 1 stop_ save_