data_6840 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6840 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Structure determination' 'Structure analysis' 'Resonance assignments used for structure determination' 6840 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'NMR structure' 6840 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID . 6045 'Assigned chemical shift entry' '13C 15N and 1H chemical shift assignments' 6840 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6840 _Entry.Title ; 15N 13C and 1H chemical shift assignments for the WIF domain of human WIF-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-09-29 _Entry.Accession_date 2005-09-29 _Entry.Last_release_date 2006-04-24 _Entry.Original_release_date 2006-04-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Edvards Liepinsh . . . 6840 2 Gottfried Otting . . . 6840 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Karolinska Institute' . 6840 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6840 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 430 6840 '15N chemical shifts' 167 6840 '1H chemical shifts' 1105 6840 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-04-24 2005-09-29 original author . 6840 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6840 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16476441 _Citation.Full_citation . _Citation.Title 'NMR Structure of the WIF Domain of the Human Wnt-Inhibitory Factor-1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 357 _Citation.Journal_issue 3 _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 942 _Citation.Page_last 950 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Edvards Liepinsh . . . 6840 1 2 Laszlo Banyai . . . 6840 1 3 Laszlo Patthy . . . 6840 1 4 Gottfried Otting . . . 6840 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 6840 1 'palmitoyl group' 6840 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6840 _Assembly.ID 1 _Assembly.Name monomer _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 17495 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6840 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'WIF domain' 1 $WIF_domain . . no native no no 1 'palmitoyl group recognition' . 6840 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 116 116 SG . 1 . 1 CYS 153 153 SG . . . . . . . . . . 6840 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'palmitoyl group recognition' 6840 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_WIF_domain _Entity.Sf_category entity _Entity.Sf_framecode WIF_domain _Entity.Entry_ID 6840 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'WIF domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMLDQQEESLYLWIDAHQ ARVLIGFEEDILIVSEGKMA PFTHDFRKAQQRMPAIPVNI HSMNFTWQAAGQAEYFYEFL SLRSLDKGIMADPTVNVPLL GTVPHKASVVQVGFPCLGKQ DGVAAFEVDVIVMNSEGNTI LQTPQNAIFFKTCLQAE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 157 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17495 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The first seven residues of the construct are from the expression vector used and therefore cloning artifacts. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2D3J . "Nmr Structure Of The Wif Domain From Human Wif-1" . . . . . 100.00 157 100.00 100.00 1.60e-112 . . . . 6840 1 2 no PDB 2YGQ . "Wif Domain-Epidermal Growth Factor (Egf)-Like Domains 1-3 Of Human Wnt Inhibitory Factor 1 In Complex With 1,2-Dipalmitoylphosp" . . . . . 93.63 324 98.64 99.32 9.75e-101 . . . . 6840 1 3 no DBJ BAE25067 . "unnamed protein product [Mus musculus]" . . . . . 94.90 379 97.99 99.33 1.58e-100 . . . . 6840 1 4 no DBJ BAE34471 . "unnamed protein product [Mus musculus]" . . . . . 94.90 379 97.99 99.33 1.58e-100 . . . . 6840 1 5 no DBJ BAG63265 . "unnamed protein product [Homo sapiens]" . . . . . 95.54 387 99.33 99.33 2.58e-102 . . . . 6840 1 6 no GB AAD25402 . "Wnt inhibitory factor-1 [Homo sapiens]" . . . . . 95.54 379 100.00 100.00 1.29e-103 . . . . 6840 1 7 no GB AAD25403 . "Wnt inhibitory factor-1 [Mus musculus]" . . . . . 94.90 379 97.99 99.33 1.58e-100 . . . . 6840 1 8 no GB AAH13268 . "Wnt inhibitory factor 1 [Mus musculus]" . . . . . 94.90 379 97.99 99.33 1.58e-100 . . . . 6840 1 9 no GB AAH18037 . "WNT inhibitory factor 1 [Homo sapiens]" . . . . . 95.54 379 98.67 99.33 4.35e-102 . . . . 6840 1 10 no GB AAQ88710 . "WIF-1 [Homo sapiens]" . . . . . 95.54 379 99.33 99.33 1.28e-102 . . . . 6840 1 11 no REF NP_001247600 . "wnt inhibitory factor 1 precursor [Macaca mulatta]" . . . . . 95.54 379 98.00 99.33 2.55e-101 . . . . 6840 1 12 no REF NP_009122 . "wnt inhibitory factor 1 precursor [Homo sapiens]" . . . . . 95.54 379 99.33 99.33 1.28e-102 . . . . 6840 1 13 no REF NP_036045 . "wnt inhibitory factor 1 precursor [Mus musculus]" . . . . . 94.90 379 97.99 99.33 1.58e-100 . . . . 6840 1 14 no REF XP_001163469 . "PREDICTED: wnt inhibitory factor 1 [Pan troglodytes]" . . . . . 95.54 379 98.67 99.33 6.10e-102 . . . . 6840 1 15 no REF XP_001490647 . "PREDICTED: wnt inhibitory factor 1 [Equus caballus]" . . . . . 85.35 352 97.76 99.25 7.32e-89 . . . . 6840 1 16 no SP Q9WUA1 . "RecName: Full=Wnt inhibitory factor 1; Short=WIF-1; Flags: Precursor [Mus musculus]" . . . . . 94.90 379 97.99 99.33 1.58e-100 . . . . 6840 1 17 no SP Q9Y5W5 . "RecName: Full=Wnt inhibitory factor 1; Short=WIF-1; Flags: Precursor [Homo sapiens]" . . . . . 95.54 379 99.33 99.33 1.28e-102 . . . . 6840 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'palmitoyl group recognition' 6840 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'WIF domain' . 6840 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'WIF domain' 6840 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 25 GLY . 6840 1 2 26 SER . 6840 1 3 27 HIS . 6840 1 4 28 MET . 6840 1 5 29 LEU . 6840 1 6 30 ASP . 6840 1 7 31 GLN . 6840 1 8 32 GLN . 6840 1 9 33 GLU . 6840 1 10 34 GLU . 6840 1 11 35 SER . 6840 1 12 36 LEU . 6840 1 13 37 TYR . 6840 1 14 38 LEU . 6840 1 15 39 TRP . 6840 1 16 40 ILE . 6840 1 17 41 ASP . 6840 1 18 42 ALA . 6840 1 19 43 HIS . 6840 1 20 44 GLN . 6840 1 21 45 ALA . 6840 1 22 46 ARG . 6840 1 23 47 VAL . 6840 1 24 48 LEU . 6840 1 25 49 ILE . 6840 1 26 50 GLY . 6840 1 27 51 PHE . 6840 1 28 52 GLU . 6840 1 29 53 GLU . 6840 1 30 54 ASP . 6840 1 31 55 ILE . 6840 1 32 56 LEU . 6840 1 33 57 ILE . 6840 1 34 58 VAL . 6840 1 35 59 SER . 6840 1 36 60 GLU . 6840 1 37 61 GLY . 6840 1 38 62 LYS . 6840 1 39 63 MET . 6840 1 40 64 ALA . 6840 1 41 65 PRO . 6840 1 42 66 PHE . 6840 1 43 67 THR . 6840 1 44 68 HIS . 6840 1 45 69 ASP . 6840 1 46 70 PHE . 6840 1 47 71 ARG . 6840 1 48 72 LYS . 6840 1 49 73 ALA . 6840 1 50 74 GLN . 6840 1 51 75 GLN . 6840 1 52 76 ARG . 6840 1 53 77 MET . 6840 1 54 78 PRO . 6840 1 55 79 ALA . 6840 1 56 80 ILE . 6840 1 57 81 PRO . 6840 1 58 82 VAL . 6840 1 59 83 ASN . 6840 1 60 84 ILE . 6840 1 61 85 HIS . 6840 1 62 86 SER . 6840 1 63 87 MET . 6840 1 64 88 ASN . 6840 1 65 89 PHE . 6840 1 66 90 THR . 6840 1 67 91 TRP . 6840 1 68 92 GLN . 6840 1 69 93 ALA . 6840 1 70 94 ALA . 6840 1 71 95 GLY . 6840 1 72 96 GLN . 6840 1 73 97 ALA . 6840 1 74 98 GLU . 6840 1 75 99 TYR . 6840 1 76 100 PHE . 6840 1 77 101 TYR . 6840 1 78 102 GLU . 6840 1 79 103 PHE . 6840 1 80 104 LEU . 6840 1 81 105 SER . 6840 1 82 106 LEU . 6840 1 83 107 ARG . 6840 1 84 108 SER . 6840 1 85 109 LEU . 6840 1 86 110 ASP . 6840 1 87 111 LYS . 6840 1 88 112 GLY . 6840 1 89 113 ILE . 6840 1 90 114 MET . 6840 1 91 115 ALA . 6840 1 92 116 ASP . 6840 1 93 117 PRO . 6840 1 94 118 THR . 6840 1 95 119 VAL . 6840 1 96 120 ASN . 6840 1 97 121 VAL . 6840 1 98 122 PRO . 6840 1 99 123 LEU . 6840 1 100 124 LEU . 6840 1 101 125 GLY . 6840 1 102 126 THR . 6840 1 103 127 VAL . 6840 1 104 128 PRO . 6840 1 105 129 HIS . 6840 1 106 130 LYS . 6840 1 107 131 ALA . 6840 1 108 132 SER . 6840 1 109 133 VAL . 6840 1 110 134 VAL . 6840 1 111 135 GLN . 6840 1 112 136 VAL . 6840 1 113 137 GLY . 6840 1 114 138 PHE . 6840 1 115 139 PRO . 6840 1 116 140 CYS . 6840 1 117 141 LEU . 6840 1 118 142 GLY . 6840 1 119 143 LYS . 6840 1 120 144 GLN . 6840 1 121 145 ASP . 6840 1 122 146 GLY . 6840 1 123 147 VAL . 6840 1 124 148 ALA . 6840 1 125 149 ALA . 6840 1 126 150 PHE . 6840 1 127 151 GLU . 6840 1 128 152 VAL . 6840 1 129 153 ASP . 6840 1 130 154 VAL . 6840 1 131 155 ILE . 6840 1 132 156 VAL . 6840 1 133 157 MET . 6840 1 134 158 ASN . 6840 1 135 159 SER . 6840 1 136 160 GLU . 6840 1 137 161 GLY . 6840 1 138 162 ASN . 6840 1 139 163 THR . 6840 1 140 164 ILE . 6840 1 141 165 LEU . 6840 1 142 166 GLN . 6840 1 143 167 THR . 6840 1 144 168 PRO . 6840 1 145 169 GLN . 6840 1 146 170 ASN . 6840 1 147 171 ALA . 6840 1 148 172 ILE . 6840 1 149 173 PHE . 6840 1 150 174 PHE . 6840 1 151 175 LYS . 6840 1 152 176 THR . 6840 1 153 177 CYS . 6840 1 154 178 LEU . 6840 1 155 179 GLN . 6840 1 156 180 ALA . 6840 1 157 181 GLU . 6840 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6840 1 . SER 2 2 6840 1 . HIS 3 3 6840 1 . MET 4 4 6840 1 . LEU 5 5 6840 1 . ASP 6 6 6840 1 . GLN 7 7 6840 1 . GLN 8 8 6840 1 . GLU 9 9 6840 1 . GLU 10 10 6840 1 . SER 11 11 6840 1 . LEU 12 12 6840 1 . TYR 13 13 6840 1 . LEU 14 14 6840 1 . TRP 15 15 6840 1 . ILE 16 16 6840 1 . ASP 17 17 6840 1 . ALA 18 18 6840 1 . HIS 19 19 6840 1 . GLN 20 20 6840 1 . ALA 21 21 6840 1 . ARG 22 22 6840 1 . VAL 23 23 6840 1 . LEU 24 24 6840 1 . ILE 25 25 6840 1 . GLY 26 26 6840 1 . PHE 27 27 6840 1 . GLU 28 28 6840 1 . GLU 29 29 6840 1 . ASP 30 30 6840 1 . ILE 31 31 6840 1 . LEU 32 32 6840 1 . ILE 33 33 6840 1 . VAL 34 34 6840 1 . SER 35 35 6840 1 . GLU 36 36 6840 1 . GLY 37 37 6840 1 . LYS 38 38 6840 1 . MET 39 39 6840 1 . ALA 40 40 6840 1 . PRO 41 41 6840 1 . PHE 42 42 6840 1 . THR 43 43 6840 1 . HIS 44 44 6840 1 . ASP 45 45 6840 1 . PHE 46 46 6840 1 . ARG 47 47 6840 1 . LYS 48 48 6840 1 . ALA 49 49 6840 1 . GLN 50 50 6840 1 . GLN 51 51 6840 1 . ARG 52 52 6840 1 . MET 53 53 6840 1 . PRO 54 54 6840 1 . ALA 55 55 6840 1 . ILE 56 56 6840 1 . PRO 57 57 6840 1 . VAL 58 58 6840 1 . ASN 59 59 6840 1 . ILE 60 60 6840 1 . HIS 61 61 6840 1 . SER 62 62 6840 1 . MET 63 63 6840 1 . ASN 64 64 6840 1 . PHE 65 65 6840 1 . THR 66 66 6840 1 . TRP 67 67 6840 1 . GLN 68 68 6840 1 . ALA 69 69 6840 1 . ALA 70 70 6840 1 . GLY 71 71 6840 1 . GLN 72 72 6840 1 . ALA 73 73 6840 1 . GLU 74 74 6840 1 . TYR 75 75 6840 1 . PHE 76 76 6840 1 . TYR 77 77 6840 1 . GLU 78 78 6840 1 . PHE 79 79 6840 1 . LEU 80 80 6840 1 . SER 81 81 6840 1 . LEU 82 82 6840 1 . ARG 83 83 6840 1 . SER 84 84 6840 1 . LEU 85 85 6840 1 . ASP 86 86 6840 1 . LYS 87 87 6840 1 . GLY 88 88 6840 1 . ILE 89 89 6840 1 . MET 90 90 6840 1 . ALA 91 91 6840 1 . ASP 92 92 6840 1 . PRO 93 93 6840 1 . THR 94 94 6840 1 . VAL 95 95 6840 1 . ASN 96 96 6840 1 . VAL 97 97 6840 1 . PRO 98 98 6840 1 . LEU 99 99 6840 1 . LEU 100 100 6840 1 . GLY 101 101 6840 1 . THR 102 102 6840 1 . VAL 103 103 6840 1 . PRO 104 104 6840 1 . HIS 105 105 6840 1 . LYS 106 106 6840 1 . ALA 107 107 6840 1 . SER 108 108 6840 1 . VAL 109 109 6840 1 . VAL 110 110 6840 1 . GLN 111 111 6840 1 . VAL 112 112 6840 1 . GLY 113 113 6840 1 . PHE 114 114 6840 1 . PRO 115 115 6840 1 . CYS 116 116 6840 1 . LEU 117 117 6840 1 . GLY 118 118 6840 1 . LYS 119 119 6840 1 . GLN 120 120 6840 1 . ASP 121 121 6840 1 . GLY 122 122 6840 1 . VAL 123 123 6840 1 . ALA 124 124 6840 1 . ALA 125 125 6840 1 . PHE 126 126 6840 1 . GLU 127 127 6840 1 . VAL 128 128 6840 1 . ASP 129 129 6840 1 . VAL 130 130 6840 1 . ILE 131 131 6840 1 . VAL 132 132 6840 1 . MET 133 133 6840 1 . ASN 134 134 6840 1 . SER 135 135 6840 1 . GLU 136 136 6840 1 . GLY 137 137 6840 1 . ASN 138 138 6840 1 . THR 139 139 6840 1 . ILE 140 140 6840 1 . LEU 141 141 6840 1 . GLN 142 142 6840 1 . THR 143 143 6840 1 . PRO 144 144 6840 1 . GLN 145 145 6840 1 . ASN 146 146 6840 1 . ALA 147 147 6840 1 . ILE 148 148 6840 1 . PHE 149 149 6840 1 . PHE 150 150 6840 1 . LYS 151 151 6840 1 . THR 152 152 6840 1 . CYS 153 153 6840 1 . LEU 154 154 6840 1 . GLN 155 155 6840 1 . ALA 156 156 6840 1 . GLU 157 157 6840 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 6840 _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 $WIF_domain . 9606 organism no 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6840 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 6840 _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 $WIF_domain . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6840 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6840 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'WIF domain' [U-15N] . . 1 $WIF_domain . protein 0.4 0.3 0.5 mM 0.1 . . . 6840 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6840 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'WIF domain' '[U-15N; U-13C]' . . 1 $WIF_domain . protein 0.7 0.6 0.8 mM 0.1 . . . 6840 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6840 _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 6.0 0.1 pH 6840 1 pressure 1 0.1 bar 6840 1 temperature 301 0.2 K 6840 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600_MHz_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600_MHz_NMR_spectrometer _NMR_spectrometer.Entry_ID 6840 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6840 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6840 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600_MHz_NMR_spectrometer . . . . . . . . . . . . . . . . 6840 1 2 '2D NOESY' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6840 1 3 HNCA no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $600_MHz_NMR_spectrometer . . . . . . . . . . . . . . . . 6840 1 4 CBCA(CO)NH no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $600_MHz_NMR_spectrometer . . . . . . . . . . . . . . . . 6840 1 5 HNCO no . . . . . . . . . . 2 $sample_2 . . . 1 $conditions_1 . . . 1 $600_MHz_NMR_spectrometer . . . . . . . . . . . . . . . . 6840 1 6 '3D NOESY-15N-HSQC' no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6840 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6840 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600_MHz_NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_NOESY _NMR_spec_expt.Entry_ID 6840 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 2D_NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCA(CO)NH _NMR_spec_expt.Entry_ID 6840 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600_MHz_NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_NOESY-15N-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_NOESY-15N-HSQC _NMR_spec_expt.Entry_ID 6840 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 3D_NOESY-15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600_MHz_NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 6840 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600_MHz_NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 6840 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600_MHz_NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6840 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; The water chemical shift was calibrated relative to DSS, taking into account the temperature, pH and ionic strength dependence of water as reported by Wishart et al. J. Biomol. NMR 6, 135 (1995). ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 6840 1 H 1 H2O protons . . . . ppm . internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6840 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6840 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6840 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 1H15N_HSQC 1 $sample_1 isotropic 6840 1 2 '2D NOESY' 1 $sample_1 isotropic 6840 1 3 HNCA 2 $sample_2 isotropic 6840 1 4 CBCA(CO)NH 2 $sample_2 isotropic 6840 1 5 HNCO 2 $sample_2 isotropic 6840 1 6 '3D NOESY-15N-HSQC' 1 $sample_1 isotropic 6840 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 GLY HA2 H 1 3.68 0.02 . 2 . . . . 1 GLY HA1 . 6840 1 2 . 1 1 1 1 GLY HA3 H 1 4.01 0.02 . 2 . . . . 1 GLY HA2 . 6840 1 3 . 1 1 1 1 GLY C C 13 170.1 0.2 . 1 . . . . 1 GLY C . 6840 1 4 . 1 1 1 1 GLY CA C 13 43.2 0.2 . 1 . . . . 1 GLY CA . 6840 1 5 . 1 1 2 2 SER H H 1 8.59 0.02 . 1 . . . . 2 SER HN . 6840 1 6 . 1 1 2 2 SER HA H 1 4.42 0.02 . 1 . . . . 2 SER HA . 6840 1 7 . 1 1 2 2 SER HB2 H 1 3.75 0.02 . 2 . . . . 2 SER HB2 . 6840 1 8 . 1 1 2 2 SER HB3 H 1 3.79 0.02 . 2 . . . . 2 SER HB3 . 6840 1 9 . 1 1 2 2 SER C C 13 174.2 0.2 . 1 . . . . 2 SER C . 6840 1 10 . 1 1 2 2 SER CA C 13 58.3 0.2 . 1 . . . . 2 SER CA . 6840 1 11 . 1 1 2 2 SER CB C 13 63.8 0.2 . 1 . . . . 2 SER CB . 6840 1 12 . 1 1 2 2 SER N N 15 115.5 0.2 . 1 . . . . 2 SER N . 6840 1 13 . 1 1 3 3 HIS H H 1 8.61 0.02 . 1 . . . . 3 HIS HN . 6840 1 14 . 1 1 3 3 HIS HA H 1 4.09 0.02 . 1 . . . . 3 HIS HA . 6840 1 15 . 1 1 3 3 HIS HB2 H 1 2.79 0.02 . 2 . . . . 3 HIS HB2 . 6840 1 16 . 1 1 3 3 HIS HB3 H 1 3.07 0.02 . 2 . . . . 3 HIS HB3 . 6840 1 17 . 1 1 3 3 HIS C C 13 176.0 0.2 . 1 . . . . 3 HIS C . 6840 1 18 . 1 1 3 3 HIS CA C 13 55.5 0.2 . 1 . . . . 3 HIS CA . 6840 1 19 . 1 1 3 3 HIS CB C 13 29.0 0.2 . 1 . . . . 3 HIS CB . 6840 1 20 . 1 1 3 3 HIS N N 15 120.5 0.2 . 1 . . . . 3 HIS N . 6840 1 21 . 1 1 4 4 MET H H 1 8.28 0.02 . 1 . . . . 4 MET HN . 6840 1 22 . 1 1 4 4 MET HA H 1 4.32 0.02 . 1 . . . . 4 MET HA . 6840 1 23 . 1 1 4 4 MET HB2 H 1 1.89 0.02 . 2 . . . . 4 MET HB2 . 6840 1 24 . 1 1 4 4 MET HB3 H 1 1.96 0.02 . 2 . . . . 4 MET HB3 . 6840 1 25 . 1 1 4 4 MET HG2 H 1 2.06 0.02 . 2 . . . . 4 MET HG2 . 6840 1 26 . 1 1 4 4 MET HG3 H 1 2.24 0.02 . 2 . . . . 4 MET HG3 . 6840 1 27 . 1 1 4 4 MET C C 13 175.8 0.2 . 1 . . . . 4 MET C . 6840 1 28 . 1 1 4 4 MET CA C 13 55.2 0.2 . 1 . . . . 4 MET CA . 6840 1 29 . 1 1 4 4 MET CB C 13 32.7 0.2 . 1 . . . . 4 MET CB . 6840 1 30 . 1 1 4 4 MET N N 15 122.2 0.2 . 1 . . . . 4 MET N . 6840 1 31 . 1 1 5 5 LEU H H 1 8.19 0.02 . 1 . . . . 5 LEU HN . 6840 1 32 . 1 1 5 5 LEU HA H 1 4.30 0.02 . 1 . . . . 5 LEU HA . 6840 1 33 . 1 1 5 5 LEU HB2 H 1 1.53 0.02 . 2 . . . . 5 LEU HB2 . 6840 1 34 . 1 1 5 5 LEU HB3 H 1 1.58 0.02 . 2 . . . . 5 LEU HB3 . 6840 1 35 . 1 1 5 5 LEU HG H 1 1.53 0.02 . 1 . . . . 5 LEU HG . 6840 1 36 . 1 1 5 5 LEU HD11 H 1 0.81 0.02 . 2 . . . . 5 LEU QD1 . 6840 1 37 . 1 1 5 5 LEU HD12 H 1 0.81 0.02 . 2 . . . . 5 LEU QD1 . 6840 1 38 . 1 1 5 5 LEU HD13 H 1 0.81 0.02 . 2 . . . . 5 LEU QD1 . 6840 1 39 . 1 1 5 5 LEU HD21 H 1 0.87 0.02 . 2 . . . . 5 LEU QD2 . 6840 1 40 . 1 1 5 5 LEU HD22 H 1 0.87 0.02 . 2 . . . . 5 LEU QD2 . 6840 1 41 . 1 1 5 5 LEU HD23 H 1 0.87 0.02 . 2 . . . . 5 LEU QD2 . 6840 1 42 . 1 1 5 5 LEU C C 13 177.0 0.2 . 1 . . . . 5 LEU C . 6840 1 43 . 1 1 5 5 LEU CA C 13 55.1 0.2 . 1 . . . . 5 LEU CA . 6840 1 44 . 1 1 5 5 LEU CB C 13 42.1 0.2 . 1 . . . . 5 LEU CB . 6840 1 45 . 1 1 5 5 LEU N N 15 122.7 0.2 . 1 . . . . 5 LEU N . 6840 1 46 . 1 1 6 6 ASP H H 1 8.26 0.02 . 1 . . . . 6 ASP HN . 6840 1 47 . 1 1 6 6 ASP HA H 1 4.53 0.02 . 1 . . . . 6 ASP HA . 6840 1 48 . 1 1 6 6 ASP HB2 H 1 2.58 0.02 . 2 . . . . 6 ASP HB2 . 6840 1 49 . 1 1 6 6 ASP HB3 H 1 2.66 0.02 . 2 . . . . 6 ASP HB3 . 6840 1 50 . 1 1 6 6 ASP C C 13 175.8 0.2 . 1 . . . . 6 ASP C . 6840 1 51 . 1 1 6 6 ASP CA C 13 54.3 0.2 . 1 . . . . 6 ASP CA . 6840 1 52 . 1 1 6 6 ASP CB C 13 40.6 0.2 . 1 . . . . 6 ASP CB . 6840 1 53 . 1 1 6 6 ASP N N 15 120.6 0.2 . 1 . . . . 6 ASP N . 6840 1 54 . 1 1 7 7 GLN H H 1 8.16 0.02 . 1 . . . . 7 GLN HN . 6840 1 55 . 1 1 7 7 GLN HA H 1 4.30 0.02 . 1 . . . . 7 GLN HA . 6840 1 56 . 1 1 7 7 GLN HB2 H 1 1.94 0.02 . 2 . . . . 7 GLN HB2 . 6840 1 57 . 1 1 7 7 GLN HB3 H 1 2.09 0.02 . 2 . . . . 7 GLN HB3 . 6840 1 58 . 1 1 7 7 GLN HG2 H 1 2.30 0.02 . 1 . . . . 7 GLN HG2 . 6840 1 59 . 1 1 7 7 GLN HG3 H 1 2.30 0.02 . 1 . . . . 7 GLN HG3 . 6840 1 60 . 1 1 7 7 GLN HE21 H 1 7.54 0.02 . 1 . . . . 7 GLN HE21 . 6840 1 61 . 1 1 7 7 GLN HE22 H 1 6.77 0.02 . 1 . . . . 7 GLN HE22 . 6840 1 62 . 1 1 7 7 GLN C C 13 175.5 0.2 . 1 . . . . 7 GLN C . 6840 1 63 . 1 1 7 7 GLN CA C 13 55.6 0.2 . 1 . . . . 7 GLN CA . 6840 1 64 . 1 1 7 7 GLN CB C 13 29.5 0.2 . 1 . . . . 7 GLN CB . 6840 1 65 . 1 1 7 7 GLN N N 15 119.5 0.2 . 1 . . . . 7 GLN N . 6840 1 66 . 1 1 7 7 GLN NE2 N 15 112.1 0.2 . 1 . . . . 7 GLN NE2 . 6840 1 67 . 1 1 8 8 GLN H H 1 8.38 0.02 . 1 . . . . 8 GLN HN . 6840 1 68 . 1 1 8 8 GLN HA H 1 4.31 0.02 . 1 . . . . 8 GLN HA . 6840 1 69 . 1 1 8 8 GLN HB2 H 1 1.96 0.02 . 2 . . . . 8 GLN HB2 . 6840 1 70 . 1 1 8 8 GLN HB3 H 1 2.08 0.02 . 2 . . . . 8 GLN HB3 . 6840 1 71 . 1 1 8 8 GLN HG2 H 1 2.30 0.02 . 1 . . . . 8 GLN HG2 . 6840 1 72 . 1 1 8 8 GLN HG3 H 1 2.30 0.02 . 1 . . . . 8 GLN HG3 . 6840 1 73 . 1 1 8 8 GLN HE21 H 1 7.58 0.02 . 1 . . . . 8 GLN HE21 . 6840 1 74 . 1 1 8 8 GLN HE22 H 1 6.77 0.02 . 1 . . . . 8 GLN HE22 . 6840 1 75 . 1 1 8 8 GLN C C 13 175.6 0.2 . 1 . . . . 8 GLN C . 6840 1 76 . 1 1 8 8 GLN CA C 13 55.6 0.2 . 1 . . . . 8 GLN CA . 6840 1 77 . 1 1 8 8 GLN CB C 13 29.4 0.2 . 1 . . . . 8 GLN CB . 6840 1 78 . 1 1 8 8 GLN N N 15 121.6 0.2 . 1 . . . . 8 GLN N . 6840 1 79 . 1 1 8 8 GLN NE2 N 15 112.1 0.2 . 1 . . . . 8 GLN NE2 . 6840 1 80 . 1 1 9 9 GLU H H 1 8.47 0.02 . 1 . . . . 9 GLU HN . 6840 1 81 . 1 1 9 9 GLU HA H 1 4.34 0.02 . 1 . . . . 9 GLU HA . 6840 1 82 . 1 1 9 9 GLU HB2 H 1 1.91 0.02 . 2 . . . . 9 GLU HB2 . 6840 1 83 . 1 1 9 9 GLU HB3 H 1 2.05 0.02 . 2 . . . . 9 GLU HB3 . 6840 1 84 . 1 1 9 9 GLU HG2 H 1 2.22 0.02 . 2 . . . . 9 GLU HG2 . 6840 1 85 . 1 1 9 9 GLU HG3 H 1 2.31 0.02 . 2 . . . . 9 GLU HG3 . 6840 1 86 . 1 1 9 9 GLU C C 13 176.2 0.2 . 1 . . . . 9 GLU C . 6840 1 87 . 1 1 9 9 GLU CA C 13 56.1 0.2 . 1 . . . . 9 GLU CA . 6840 1 88 . 1 1 9 9 GLU CB C 13 29.9 0.2 . 1 . . . . 9 GLU CB . 6840 1 89 . 1 1 9 9 GLU N N 15 122.7 0.2 . 1 . . . . 9 GLU N . 6840 1 90 . 1 1 10 10 GLU H H 1 8.41 0.02 . 1 . . . . 10 GLU HN . 6840 1 91 . 1 1 10 10 GLU HA H 1 4.53 0.02 . 1 . . . . 10 GLU HA . 6840 1 92 . 1 1 10 10 GLU HB2 H 1 1.47 0.02 . 2 . . . . 10 GLU HB2 . 6840 1 93 . 1 1 10 10 GLU HB3 H 1 1.53 0.02 . 2 . . . . 10 GLU HB3 . 6840 1 94 . 1 1 10 10 GLU HG2 H 1 1.78 0.02 . 1 . . . . 10 GLU HG2 . 6840 1 95 . 1 1 10 10 GLU HG3 H 1 1.78 0.02 . 1 . . . . 10 GLU HG3 . 6840 1 96 . 1 1 10 10 GLU C C 13 176.6 0.2 . 1 . . . . 10 GLU C . 6840 1 97 . 1 1 10 10 GLU CA C 13 55.0 0.2 . 1 . . . . 10 GLU CA . 6840 1 98 . 1 1 10 10 GLU CB C 13 30.1 0.2 . 1 . . . . 10 GLU CB . 6840 1 99 . 1 1 10 10 GLU N N 15 120.8 0.2 . 1 . . . . 10 GLU N . 6840 1 100 . 1 1 11 11 SER H H 1 8.46 0.02 . 1 . . . . 11 SER HN . 6840 1 101 . 1 1 11 11 SER HA H 1 4.48 0.02 . 1 . . . . 11 SER HA . 6840 1 102 . 1 1 11 11 SER HB2 H 1 3.72 0.02 . 2 . . . . 11 SER HB2 . 6840 1 103 . 1 1 11 11 SER HB3 H 1 4.21 0.02 . 2 . . . . 11 SER HB3 . 6840 1 104 . 1 1 11 11 SER C C 13 172.3 0.2 . 1 . . . . 11 SER C . 6840 1 105 . 1 1 11 11 SER CA C 13 56.7 0.2 . 1 . . . . 11 SER CA . 6840 1 106 . 1 1 11 11 SER CB C 13 62.2 0.2 . 1 . . . . 11 SER CB . 6840 1 107 . 1 1 11 11 SER N N 15 111.7 0.2 . 1 . . . . 11 SER N . 6840 1 108 . 1 1 12 12 LEU H H 1 5.97 0.02 . 1 . . . . 12 LEU HN . 6840 1 109 . 1 1 12 12 LEU HA H 1 4.58 0.02 . 1 . . . . 12 LEU HA . 6840 1 110 . 1 1 12 12 LEU HB2 H 1 0.14 0.02 . 1 . . . . 12 LEU HB2 . 6840 1 111 . 1 1 12 12 LEU HB3 H 1 0.69 0.02 . 1 . . . . 12 LEU HB3 . 6840 1 112 . 1 1 12 12 LEU HG H 1 0.99 0.02 . 1 . . . . 12 LEU HG . 6840 1 113 . 1 1 12 12 LEU HD11 H 1 0.36 0.02 . 1 . . . . 12 LEU QD1 . 6840 1 114 . 1 1 12 12 LEU HD12 H 1 0.36 0.02 . 1 . . . . 12 LEU QD1 . 6840 1 115 . 1 1 12 12 LEU HD13 H 1 0.36 0.02 . 1 . . . . 12 LEU QD1 . 6840 1 116 . 1 1 12 12 LEU HD21 H 1 0.45 0.02 . 1 . . . . 12 LEU QD2 . 6840 1 117 . 1 1 12 12 LEU HD22 H 1 0.45 0.02 . 1 . . . . 12 LEU QD2 . 6840 1 118 . 1 1 12 12 LEU HD23 H 1 0.45 0.02 . 1 . . . . 12 LEU QD2 . 6840 1 119 . 1 1 12 12 LEU C C 13 174.7 0.2 . 1 . . . . 12 LEU C . 6840 1 120 . 1 1 12 12 LEU CA C 13 53.6 0.2 . 1 . . . . 12 LEU CA . 6840 1 121 . 1 1 12 12 LEU CB C 13 43.1 0.2 . 1 . . . . 12 LEU CB . 6840 1 122 . 1 1 12 12 LEU N N 15 120.7 0.2 . 1 . . . . 12 LEU N . 6840 1 123 . 1 1 13 13 TYR H H 1 8.82 0.02 . 1 . . . . 13 TYR HN . 6840 1 124 . 1 1 13 13 TYR HA H 1 5.04 0.02 . 1 . . . . 13 TYR HA . 6840 1 125 . 1 1 13 13 TYR HB2 H 1 3.13 0.02 . 1 . . . . 13 TYR HB2 . 6840 1 126 . 1 1 13 13 TYR HB3 H 1 3.19 0.02 . 1 . . . . 13 TYR HB3 . 6840 1 127 . 1 1 13 13 TYR HD1 H 1 7.23 0.02 . 1 . . . . 13 TYR HD1 . 6840 1 128 . 1 1 13 13 TYR HD2 H 1 7.23 0.02 . 1 . . . . 13 TYR HD2 . 6840 1 129 . 1 1 13 13 TYR HE1 H 1 6.82 0.02 . 1 . . . . 13 TYR HE1 . 6840 1 130 . 1 1 13 13 TYR HE2 H 1 6.82 0.02 . 1 . . . . 13 TYR HE2 . 6840 1 131 . 1 1 13 13 TYR C C 13 173.9 0.2 . 1 . . . . 13 TYR C . 6840 1 132 . 1 1 13 13 TYR CA C 13 56.8 0.2 . 1 . . . . 13 TYR CA . 6840 1 133 . 1 1 13 13 TYR CB C 13 42.8 0.02 . 1 . . . . 13 TYR CB . 6840 1 134 . 1 1 13 13 TYR N N 15 123.7 0.2 . 1 . . . . 13 TYR N . 6840 1 135 . 1 1 14 14 LEU H H 1 9.15 0.02 . 1 . . . . 14 LEU HN . 6840 1 136 . 1 1 14 14 LEU HA H 1 5.77 0.02 . 1 . . . . 14 LEU HA . 6840 1 137 . 1 1 14 14 LEU HB2 H 1 1.47 0.02 . 1 . . . . 14 LEU HB2 . 6840 1 138 . 1 1 14 14 LEU HB3 H 1 1.73 0.02 . 1 . . . . 14 LEU HB3 . 6840 1 139 . 1 1 14 14 LEU HG H 1 1.75 0.02 . 1 . . . . 14 LEU HG . 6840 1 140 . 1 1 14 14 LEU HD11 H 1 0.73 0.02 . 1 . . . . 14 LEU QD1 . 6840 1 141 . 1 1 14 14 LEU HD12 H 1 0.73 0.02 . 1 . . . . 14 LEU QD1 . 6840 1 142 . 1 1 14 14 LEU HD13 H 1 0.73 0.02 . 1 . . . . 14 LEU QD1 . 6840 1 143 . 1 1 14 14 LEU HD21 H 1 0.86 0.02 . 1 . . . . 14 LEU QD2 . 6840 1 144 . 1 1 14 14 LEU HD22 H 1 0.86 0.02 . 1 . . . . 14 LEU QD2 . 6840 1 145 . 1 1 14 14 LEU HD23 H 1 0.86 0.02 . 1 . . . . 14 LEU QD2 . 6840 1 146 . 1 1 14 14 LEU C C 13 175.2 0.2 . 1 . . . . 14 LEU C . 6840 1 147 . 1 1 14 14 LEU CA C 13 54.8 0.2 . 1 . . . . 14 LEU CA . 6840 1 148 . 1 1 14 14 LEU CB C 13 43.8 0.02 . 1 . . . . 14 LEU CB . 6840 1 149 . 1 1 14 14 LEU N N 15 121.6 0.2 . 1 . . . . 14 LEU N . 6840 1 150 . 1 1 15 15 TRP H H 1 10.55 0.02 . 1 . . . . 15 TRP HN . 6840 1 151 . 1 1 15 15 TRP HA H 1 5.66 0.02 . 1 . . . . 15 TRP HA . 6840 1 152 . 1 1 15 15 TRP HB2 H 1 3.20 0.02 . 1 . . . . 15 TRP HB2 . 6840 1 153 . 1 1 15 15 TRP HB3 H 1 3.52 0.02 . 1 . . . . 15 TRP HB3 . 6840 1 154 . 1 1 15 15 TRP HD1 H 1 6.64 0.02 . 1 . . . . 15 TRP HD1 . 6840 1 155 . 1 1 15 15 TRP HE1 H 1 10.56 0.02 . 1 . . . . 15 TRP HE1 . 6840 1 156 . 1 1 15 15 TRP HE3 H 1 7.27 0.02 . 1 . . . . 15 TRP HE3 . 6840 1 157 . 1 1 15 15 TRP HZ2 H 1 7.33 0.02 . 1 . . . . 15 TRP HZ2 . 6840 1 158 . 1 1 15 15 TRP HZ3 H 1 6.87 0.02 . 1 . . . . 15 TRP HZ3 . 6840 1 159 . 1 1 15 15 TRP HH2 H 1 7.10 0.02 . 1 . . . . 15 TRP HH2 . 6840 1 160 . 1 1 15 15 TRP C C 13 172.3 0.2 . 1 . . . . 15 TRP C . 6840 1 161 . 1 1 15 15 TRP CA C 13 56.6 0.2 . 1 . . . . 15 TRP CA . 6840 1 162 . 1 1 15 15 TRP CB C 13 29.6 0.2 . 1 . . . . 15 TRP CB . 6840 1 163 . 1 1 15 15 TRP N N 15 129.2 0.2 . 1 . . . . 15 TRP N . 6840 1 164 . 1 1 15 15 TRP NE1 N 15 130.3 0.2 . 1 . . . . 15 TRP NE1 . 6840 1 165 . 1 1 16 16 ILE H H 1 9.04 0.02 . 1 . . . . 16 ILE HN . 6840 1 166 . 1 1 16 16 ILE HA H 1 4.40 0.02 . 1 . . . . 16 ILE HA . 6840 1 167 . 1 1 16 16 ILE HB H 1 1.74 0.02 . 1 . . . . 16 ILE HB . 6840 1 168 . 1 1 16 16 ILE HG12 H 1 1.62 0.02 . 1 . . . . 16 ILE HG12 . 6840 1 169 . 1 1 16 16 ILE HG13 H 1 1.77 0.02 . 1 . . . . 16 ILE HG13 . 6840 1 170 . 1 1 16 16 ILE HG21 H 1 0.85 0.02 . 1 . . . . 16 ILE QG2 . 6840 1 171 . 1 1 16 16 ILE HG22 H 1 0.85 0.02 . 1 . . . . 16 ILE QG2 . 6840 1 172 . 1 1 16 16 ILE HG23 H 1 0.85 0.02 . 1 . . . . 16 ILE QG2 . 6840 1 173 . 1 1 16 16 ILE HD11 H 1 0.66 0.02 . 1 . . . . 16 ILE QD1 . 6840 1 174 . 1 1 16 16 ILE HD12 H 1 0.66 0.02 . 1 . . . . 16 ILE QD1 . 6840 1 175 . 1 1 16 16 ILE HD13 H 1 0.66 0.02 . 1 . . . . 16 ILE QD1 . 6840 1 176 . 1 1 16 16 ILE C C 13 175.4 0.2 . 1 . . . . 16 ILE C . 6840 1 177 . 1 1 16 16 ILE CA C 13 59.8 0.2 . 1 . . . . 16 ILE CA . 6840 1 178 . 1 1 16 16 ILE CB C 13 33.6 0.2 . 1 . . . . 16 ILE CB . 6840 1 179 . 1 1 16 16 ILE N N 15 118.7 0.2 . 1 . . . . 16 ILE N . 6840 1 180 . 1 1 17 17 ASP H H 1 9.19 0.02 . 1 . . . . 17 ASP HN . 6840 1 181 . 1 1 17 17 ASP HA H 1 5.00 0.02 . 1 . . . . 17 ASP HA . 6840 1 182 . 1 1 17 17 ASP HB2 H 1 3.08 0.02 . 1 . . . . 17 ASP HB2 . 6840 1 183 . 1 1 17 17 ASP HB3 H 1 2.51 0.02 . 1 . . . . 17 ASP HB3 . 6840 1 184 . 1 1 17 17 ASP C C 13 174.8 0.2 . 1 . . . . 17 ASP C . 6840 1 185 . 1 1 17 17 ASP CA C 13 54.2 0.2 . 1 . . . . 17 ASP CA . 6840 1 186 . 1 1 17 17 ASP CB C 13 42.5 0.2 . 1 . . . . 17 ASP CB . 6840 1 187 . 1 1 17 17 ASP N N 15 126.8 0.2 . 1 . . . . 17 ASP N . 6840 1 188 . 1 1 18 18 ALA H H 1 8.38 0.02 . 1 . . . . 18 ALA HN . 6840 1 189 . 1 1 18 18 ALA HA H 1 3.80 0.02 . 1 . . . . 18 ALA HA . 6840 1 190 . 1 1 18 18 ALA HB1 H 1 1.13 0.02 . 1 . . . . 18 ALA QB . 6840 1 191 . 1 1 18 18 ALA HB2 H 1 1.13 0.02 . 1 . . . . 18 ALA QB . 6840 1 192 . 1 1 18 18 ALA HB3 H 1 1.13 0.02 . 1 . . . . 18 ALA QB . 6840 1 193 . 1 1 18 18 ALA C C 13 178.8 0.2 . 1 . . . . 18 ALA C . 6840 1 194 . 1 1 18 18 ALA CA C 13 55.3 0.2 . 1 . . . . 18 ALA CA . 6840 1 195 . 1 1 18 18 ALA CB C 13 19.7 0.2 . 1 . . . . 18 ALA CB . 6840 1 196 . 1 1 18 18 ALA N N 15 123.3 0.2 . 1 . . . . 18 ALA N . 6840 1 197 . 1 1 19 19 HIS H H 1 8.28 0.02 . 1 . . . . 19 HIS HN . 6840 1 198 . 1 1 19 19 HIS HA H 1 4.28 0.02 . 1 . . . . 19 HIS HA . 6840 1 199 . 1 1 19 19 HIS HB2 H 1 3.16 0.02 . 1 . . . . 19 HIS HB2 . 6840 1 200 . 1 1 19 19 HIS HB3 H 1 3.24 0.02 . 1 . . . . 19 HIS HB3 . 6840 1 201 . 1 1 19 19 HIS HD2 H 1 7.17 0.02 . 1 . . . . 19 HIS HD2 . 6840 1 202 . 1 1 19 19 HIS HE1 H 1 8.21 0.02 . 1 . . . . 19 HIS HE1 . 6840 1 203 . 1 1 19 19 HIS C C 13 177.5 0.2 . 1 . . . . 19 HIS C . 6840 1 204 . 1 1 19 19 HIS CA C 13 58.7 0.2 . 1 . . . . 19 HIS CA . 6840 1 205 . 1 1 19 19 HIS CB C 13 27.6 0.2 . 1 . . . . 19 HIS CB . 6840 1 206 . 1 1 19 19 HIS N N 15 115.2 0.2 . 1 . . . . 19 HIS N . 6840 1 207 . 1 1 20 20 GLN H H 1 8.17 0.02 . 1 . . . . 20 GLN HN . 6840 1 208 . 1 1 20 20 GLN HA H 1 4.23 0.02 . 1 . . . . 20 GLN HA . 6840 1 209 . 1 1 20 20 GLN HB2 H 1 2.26 0.02 . 1 . . . . 20 GLN HB2 . 6840 1 210 . 1 1 20 20 GLN HB3 H 1 2.18 0.02 . 1 . . . . 20 GLN HB3 . 6840 1 211 . 1 1 20 20 GLN HG2 H 1 2.23 0.02 . 1 . . . . 20 GLN HG2 . 6840 1 212 . 1 1 20 20 GLN HG3 H 1 2.23 0.02 . 1 . . . . 20 GLN HG3 . 6840 1 213 . 1 1 20 20 GLN HE21 H 1 8.00 0.02 . 1 . . . . 20 GLN HE21 . 6840 1 214 . 1 1 20 20 GLN HE22 H 1 7.30 0.02 . 1 . . . . 20 GLN HE22 . 6840 1 215 . 1 1 20 20 GLN C C 13 179.2 0.2 . 1 . . . . 20 GLN C . 6840 1 216 . 1 1 20 20 GLN CA C 13 57.0 0.2 . 1 . . . . 20 GLN CA . 6840 1 217 . 1 1 20 20 GLN CB C 13 29.1 0.2 . 1 . . . . 20 GLN CB . 6840 1 218 . 1 1 20 20 GLN N N 15 122.0 0.2 . 1 . . . . 20 GLN N . 6840 1 219 . 1 1 20 20 GLN NE2 N 15 114.8 0.2 . 1 . . . . 20 GLN NE2 . 6840 1 220 . 1 1 21 21 ALA H H 1 9.36 0.02 . 1 . . . . 21 ALA HN . 6840 1 221 . 1 1 21 21 ALA HA H 1 3.83 0.02 . 1 . . . . 21 ALA HA . 6840 1 222 . 1 1 21 21 ALA HB1 H 1 1.66 0.02 . 1 . . . . 21 ALA QB . 6840 1 223 . 1 1 21 21 ALA HB2 H 1 1.66 0.02 . 1 . . . . 21 ALA QB . 6840 1 224 . 1 1 21 21 ALA HB3 H 1 1.66 0.02 . 1 . . . . 21 ALA QB . 6840 1 225 . 1 1 21 21 ALA C C 13 179.3 0.2 . 1 . . . . 21 ALA C . 6840 1 226 . 1 1 21 21 ALA CA C 13 56.0 0.2 . 1 . . . . 21 ALA CA . 6840 1 227 . 1 1 21 21 ALA CB C 13 19.4 0.2 . 1 . . . . 21 ALA CB . 6840 1 228 . 1 1 21 21 ALA N N 15 124.4 0.2 . 1 . . . . 21 ALA N . 6840 1 229 . 1 1 22 22 ARG H H 1 8.05 0.02 . 1 . . . . 22 ARG HN . 6840 1 230 . 1 1 22 22 ARG HA H 1 3.59 0.02 . 1 . . . . 22 ARG HA . 6840 1 231 . 1 1 22 22 ARG HB2 H 1 1.92 0.02 . 1 . . . . 22 ARG HB2 . 6840 1 232 . 1 1 22 22 ARG HB3 H 1 1.92 0.02 . 1 . . . . 22 ARG HB3 . 6840 1 233 . 1 1 22 22 ARG HG2 H 1 1.72 0.02 . 1 . . . . 22 ARG HG2 . 6840 1 234 . 1 1 22 22 ARG HG3 H 1 1.72 0.02 . 1 . . . . 22 ARG HG3 . 6840 1 235 . 1 1 22 22 ARG C C 13 178.9 0.2 . 1 . . . . 22 ARG C . 6840 1 236 . 1 1 22 22 ARG CA C 13 59.6 0.2 . 1 . . . . 22 ARG CA . 6840 1 237 . 1 1 22 22 ARG CB C 13 29.4 0.2 . 1 . . . . 22 ARG CB . 6840 1 238 . 1 1 22 22 ARG N N 15 120.0 0.2 . 1 . . . . 22 ARG N . 6840 1 239 . 1 1 23 23 VAL H H 1 7.17 0.02 . 1 . . . . 23 VAL HN . 6840 1 240 . 1 1 23 23 VAL HA H 1 3.74 0.02 . 1 . . . . 23 VAL HA . 6840 1 241 . 1 1 23 23 VAL HB H 1 2.06 0.02 . 1 . . . . 23 VAL HB . 6840 1 242 . 1 1 23 23 VAL HG11 H 1 0.90 0.02 . 1 . . . . 23 VAL QG1 . 6840 1 243 . 1 1 23 23 VAL HG12 H 1 0.90 0.02 . 1 . . . . 23 VAL QG1 . 6840 1 244 . 1 1 23 23 VAL HG13 H 1 0.90 0.02 . 1 . . . . 23 VAL QG1 . 6840 1 245 . 1 1 23 23 VAL HG21 H 1 0.97 0.02 . 1 . . . . 23 VAL QG2 . 6840 1 246 . 1 1 23 23 VAL HG22 H 1 0.97 0.02 . 1 . . . . 23 VAL QG2 . 6840 1 247 . 1 1 23 23 VAL HG23 H 1 0.97 0.02 . 1 . . . . 23 VAL QG2 . 6840 1 248 . 1 1 23 23 VAL C C 13 175.8 0.2 . 1 . . . . 23 VAL C . 6840 1 249 . 1 1 23 23 VAL CA C 13 64.5 0.2 . 1 . . . . 23 VAL CA . 6840 1 250 . 1 1 23 23 VAL CB C 13 32.3 0.2 . 1 . . . . 23 VAL CB . 6840 1 251 . 1 1 23 23 VAL N N 15 114.9 0.2 . 1 . . . . 23 VAL N . 6840 1 252 . 1 1 24 24 LEU H H 1 7.67 0.02 . 1 . . . . 24 LEU HN . 6840 1 253 . 1 1 24 24 LEU HA H 1 4.26 0.02 . 1 . . . . 24 LEU HA . 6840 1 254 . 1 1 24 24 LEU HB2 H 1 1.75 0.02 . 1 . . . . 24 LEU HB2 . 6840 1 255 . 1 1 24 24 LEU HB3 H 1 1.63 0.02 . 1 . . . . 24 LEU HB3 . 6840 1 256 . 1 1 24 24 LEU HG H 1 1.65 0.02 . 1 . . . . 24 LEU HG . 6840 1 257 . 1 1 24 24 LEU HD11 H 1 0.85 0.02 . 1 . . . . 24 LEU QD1 . 6840 1 258 . 1 1 24 24 LEU HD12 H 1 0.85 0.02 . 1 . . . . 24 LEU QD1 . 6840 1 259 . 1 1 24 24 LEU HD13 H 1 0.85 0.02 . 1 . . . . 24 LEU QD1 . 6840 1 260 . 1 1 24 24 LEU HD21 H 1 0.93 0.02 . 1 . . . . 24 LEU QD2 . 6840 1 261 . 1 1 24 24 LEU HD22 H 1 0.93 0.02 . 1 . . . . 24 LEU QD2 . 6840 1 262 . 1 1 24 24 LEU HD23 H 1 0.93 0.02 . 1 . . . . 24 LEU QD2 . 6840 1 263 . 1 1 24 24 LEU C C 13 176.8 0.2 . 1 . . . . 24 LEU C . 6840 1 264 . 1 1 24 24 LEU CA C 13 57.3 0.2 . 1 . . . . 24 LEU CA . 6840 1 265 . 1 1 24 24 LEU CB C 13 44.9 0.2 . 1 . . . . 24 LEU CB . 6840 1 266 . 1 1 24 24 LEU N N 15 117.7 0.2 . 1 . . . . 24 LEU N . 6840 1 267 . 1 1 25 25 ILE H H 1 8.35 0.02 . 1 . . . . 25 ILE HN . 6840 1 268 . 1 1 25 25 ILE HA H 1 4.67 0.02 . 1 . . . . 25 ILE HA . 6840 1 269 . 1 1 25 25 ILE HB H 1 2.16 0.02 . 1 . . . . 25 ILE HB . 6840 1 270 . 1 1 25 25 ILE HG12 H 1 1.25 0.02 . 1 . . . . 25 ILE HG12 . 6840 1 271 . 1 1 25 25 ILE HG13 H 1 1.34 0.02 . 1 . . . . 25 ILE HG13 . 6840 1 272 . 1 1 25 25 ILE HG21 H 1 0.86 0.02 . 1 . . . . 25 ILE QG2 . 6840 1 273 . 1 1 25 25 ILE HG22 H 1 0.86 0.02 . 1 . . . . 25 ILE QG2 . 6840 1 274 . 1 1 25 25 ILE HG23 H 1 0.86 0.02 . 1 . . . . 25 ILE QG2 . 6840 1 275 . 1 1 25 25 ILE HD11 H 1 0.80 0.02 . 1 . . . . 25 ILE QD1 . 6840 1 276 . 1 1 25 25 ILE HD12 H 1 0.80 0.02 . 1 . . . . 25 ILE QD1 . 6840 1 277 . 1 1 25 25 ILE HD13 H 1 0.80 0.02 . 1 . . . . 25 ILE QD1 . 6840 1 278 . 1 1 25 25 ILE C C 13 176.3 0.2 . 1 . . . . 25 ILE C . 6840 1 279 . 1 1 25 25 ILE CA C 13 60.3 0.2 . 1 . . . . 25 ILE CA . 6840 1 280 . 1 1 25 25 ILE CB C 13 41.0 0.2 . 1 . . . . 25 ILE CB . 6840 1 281 . 1 1 25 25 ILE N N 15 107.0 0.2 . 1 . . . . 25 ILE N . 6840 1 282 . 1 1 26 26 GLY H H 1 7.74 0.02 . 1 . . . . 26 GLY HN . 6840 1 283 . 1 1 26 26 GLY HA2 H 1 3.82 0.02 . 1 . . . . 26 GLY HA1 . 6840 1 284 . 1 1 26 26 GLY HA3 H 1 4.15 0.02 . 1 . . . . 26 GLY HA2 . 6840 1 285 . 1 1 26 26 GLY C C 13 172.9 0.2 . 1 . . . . 26 GLY C . 6840 1 286 . 1 1 26 26 GLY CA C 13 46.1 0.2 . 1 . . . . 26 GLY CA . 6840 1 287 . 1 1 26 26 GLY N N 15 109.0 0.2 . 1 . . . . 26 GLY N . 6840 1 288 . 1 1 27 27 PHE H H 1 6.79 0.02 . 1 . . . . 27 PHE HN . 6840 1 289 . 1 1 27 27 PHE HA H 1 4.74 0.02 . 1 . . . . 27 PHE HA . 6840 1 290 . 1 1 27 27 PHE HB2 H 1 2.72 0.02 . 1 . . . . 27 PHE HB2 . 6840 1 291 . 1 1 27 27 PHE HB3 H 1 2.89 0.02 . 1 . . . . 27 PHE HB3 . 6840 1 292 . 1 1 27 27 PHE HD1 H 1 7.11 0.02 . 1 . . . . 27 PHE HD1 . 6840 1 293 . 1 1 27 27 PHE HD2 H 1 7.11 0.02 . 1 . . . . 27 PHE HD2 . 6840 1 294 . 1 1 27 27 PHE HE1 H 1 7.27 0.02 . 1 . . . . 27 PHE HE1 . 6840 1 295 . 1 1 27 27 PHE HE2 H 1 7.27 0.02 . 1 . . . . 27 PHE HE2 . 6840 1 296 . 1 1 27 27 PHE HZ H 1 7.25 0.02 . 1 . . . . 27 PHE HZ . 6840 1 297 . 1 1 27 27 PHE C C 13 173.3 0.2 . 1 . . . . 27 PHE C . 6840 1 298 . 1 1 27 27 PHE CA C 13 56.1 0.2 . 1 . . . . 27 PHE CA . 6840 1 299 . 1 1 27 27 PHE CB C 13 41.8 0.2 . 1 . . . . 27 PHE CB . 6840 1 300 . 1 1 27 27 PHE N N 15 118.4 0.2 . 1 . . . . 27 PHE N . 6840 1 301 . 1 1 28 28 GLU H H 1 8.51 0.02 . 1 . . . . 28 GLU HN . 6840 1 302 . 1 1 28 28 GLU HA H 1 4.46 0.02 . 1 . . . . 28 GLU HA . 6840 1 303 . 1 1 28 28 GLU HB2 H 1 1.59 0.02 . 1 . . . . 28 GLU HB2 . 6840 1 304 . 1 1 28 28 GLU HB3 H 1 2.10 0.02 . 1 . . . . 28 GLU HB3 . 6840 1 305 . 1 1 28 28 GLU HG2 H 1 1.99 0.02 . 1 . . . . 28 GLU HG2 . 6840 1 306 . 1 1 28 28 GLU HG3 H 1 2.09 0.02 . 1 . . . . 28 GLU HG3 . 6840 1 307 . 1 1 28 28 GLU C C 13 174.2 0.2 . 1 . . . . 28 GLU C . 6840 1 308 . 1 1 28 28 GLU CA C 13 54.9 0.2 . 1 . . . . 28 GLU CA . 6840 1 309 . 1 1 28 28 GLU CB C 13 29.0 0.2 . 1 . . . . 28 GLU CB . 6840 1 310 . 1 1 28 28 GLU N N 15 124.4 0.2 . 1 . . . . 28 GLU N . 6840 1 311 . 1 1 29 29 GLU H H 1 7.12 0.02 . 1 . . . . 29 GLU HN . 6840 1 312 . 1 1 29 29 GLU HA H 1 4.43 0.02 . 1 . . . . 29 GLU HA . 6840 1 313 . 1 1 29 29 GLU HB2 H 1 1.60 0.02 . 1 . . . . 29 GLU HB2 . 6840 1 314 . 1 1 29 29 GLU HB3 H 1 1.85 0.02 . 1 . . . . 29 GLU HB3 . 6840 1 315 . 1 1 29 29 GLU HG2 H 1 1.99 0.02 . 1 . . . . 29 GLU HG2 . 6840 1 316 . 1 1 29 29 GLU HG3 H 1 1.99 0.02 . 1 . . . . 29 GLU HG3 . 6840 1 317 . 1 1 29 29 GLU C C 13 173.4 0.2 . 1 . . . . 29 GLU C . 6840 1 318 . 1 1 29 29 GLU CA C 13 54.5 0.2 . 1 . . . . 29 GLU CA . 6840 1 319 . 1 1 29 29 GLU CB C 13 32.5 0.2 . 1 . . . . 29 GLU CB . 6840 1 320 . 1 1 29 29 GLU N N 15 122.4 0.2 . 1 . . . . 29 GLU N . 6840 1 321 . 1 1 30 30 ASP H H 1 8.22 0.02 . 1 . . . . 30 ASP HN . 6840 1 322 . 1 1 30 30 ASP HA H 1 4.83 0.02 . 1 . . . . 30 ASP HA . 6840 1 323 . 1 1 30 30 ASP HB2 H 1 2.25 0.02 . 1 . . . . 30 ASP HB2 . 6840 1 324 . 1 1 30 30 ASP HB3 H 1 2.35 0.02 . 1 . . . . 30 ASP HB3 . 6840 1 325 . 1 1 30 30 ASP C C 13 176.7 0.2 . 1 . . . . 30 ASP C . 6840 1 326 . 1 1 30 30 ASP CA C 13 54.6 0.2 . 1 . . . . 30 ASP CA . 6840 1 327 . 1 1 30 30 ASP CB C 13 40.6 0.2 . 1 . . . . 30 ASP CB . 6840 1 328 . 1 1 30 30 ASP N N 15 120.4 0.2 . 1 . . . . 30 ASP N . 6840 1 329 . 1 1 31 31 ILE H H 1 9.13 0.02 . 1 . . . . 31 ILE HN . 6840 1 330 . 1 1 31 31 ILE HA H 1 4.26 0.02 . 1 . . . . 31 ILE HA . 6840 1 331 . 1 1 31 31 ILE HB H 1 1.81 0.02 . 1 . . . . 31 ILE HB . 6840 1 332 . 1 1 31 31 ILE HG12 H 1 0.81 0.02 . 2 . . . . 31 ILE HG12 . 6840 1 333 . 1 1 31 31 ILE HG13 H 1 0.92 0.02 . 2 . . . . 31 ILE HG13 . 6840 1 334 . 1 1 31 31 ILE HG21 H 1 0.64 0.02 . 1 . . . . 31 ILE QG2 . 6840 1 335 . 1 1 31 31 ILE HG22 H 1 0.64 0.02 . 1 . . . . 31 ILE QG2 . 6840 1 336 . 1 1 31 31 ILE HG23 H 1 0.64 0.02 . 1 . . . . 31 ILE QG2 . 6840 1 337 . 1 1 31 31 ILE HD11 H 1 0.67 0.02 . 1 . . . . 31 ILE QD1 . 6840 1 338 . 1 1 31 31 ILE HD12 H 1 0.67 0.02 . 1 . . . . 31 ILE QD1 . 6840 1 339 . 1 1 31 31 ILE HD13 H 1 0.67 0.02 . 1 . . . . 31 ILE QD1 . 6840 1 340 . 1 1 31 31 ILE C C 13 175.6 0.2 . 1 . . . . 31 ILE C . 6840 1 341 . 1 1 31 31 ILE CA C 13 60.0 0.2 . 1 . . . . 31 ILE CA . 6840 1 342 . 1 1 31 31 ILE CB C 13 40.0 0.2 . 1 . . . . 31 ILE CB . 6840 1 343 . 1 1 31 31 ILE N N 15 121.2 0.2 . 1 . . . . 31 ILE N . 6840 1 344 . 1 1 32 32 LEU H H 1 8.92 0.02 . 1 . . . . 32 LEU HN . 6840 1 345 . 1 1 32 32 LEU HA H 1 4.51 0.02 . 1 . . . . 32 LEU HA . 6840 1 346 . 1 1 32 32 LEU HB2 H 1 1.77 0.02 . 1 . . . . 32 LEU HB2 . 6840 1 347 . 1 1 32 32 LEU HB3 H 1 1.63 0.02 . 1 . . . . 32 LEU HB3 . 6840 1 348 . 1 1 32 32 LEU HG H 1 1.67 0.02 . 1 . . . . 32 LEU HG . 6840 1 349 . 1 1 32 32 LEU HD11 H 1 0.95 0.02 . 1 . . . . 32 LEU QD1 . 6840 1 350 . 1 1 32 32 LEU HD12 H 1 0.95 0.02 . 1 . . . . 32 LEU QD1 . 6840 1 351 . 1 1 32 32 LEU HD13 H 1 0.95 0.02 . 1 . . . . 32 LEU QD1 . 6840 1 352 . 1 1 32 32 LEU HD21 H 1 1.07 0.02 . 1 . . . . 32 LEU QD2 . 6840 1 353 . 1 1 32 32 LEU HD22 H 1 1.07 0.02 . 1 . . . . 32 LEU QD2 . 6840 1 354 . 1 1 32 32 LEU HD23 H 1 1.07 0.02 . 1 . . . . 32 LEU QD2 . 6840 1 355 . 1 1 32 32 LEU C C 13 175.4 0.2 . 1 . . . . 32 LEU C . 6840 1 356 . 1 1 32 32 LEU CA C 13 55.6 0.2 . 1 . . . . 32 LEU CA . 6840 1 357 . 1 1 32 32 LEU CB C 13 41.8 0.2 . 1 . . . . 32 LEU CB . 6840 1 358 . 1 1 32 32 LEU N N 15 130.0 0.2 . 1 . . . . 32 LEU N . 6840 1 359 . 1 1 33 33 ILE H H 1 8.79 0.02 . 1 . . . . 33 ILE HN . 6840 1 360 . 1 1 33 33 ILE HA H 1 4.28 0.02 . 1 . . . . 33 ILE HA . 6840 1 361 . 1 1 33 33 ILE HB H 1 1.76 0.02 . 1 . . . . 33 ILE HB . 6840 1 362 . 1 1 33 33 ILE HG12 H 1 1.36 0.02 . 1 . . . . 33 ILE HG12 . 6840 1 363 . 1 1 33 33 ILE HG13 H 1 1.83 0.02 . 1 . . . . 33 ILE HG13 . 6840 1 364 . 1 1 33 33 ILE HG21 H 1 0.97 0.02 . 1 . . . . 33 ILE QG2 . 6840 1 365 . 1 1 33 33 ILE HG22 H 1 0.97 0.02 . 1 . . . . 33 ILE QG2 . 6840 1 366 . 1 1 33 33 ILE HG23 H 1 0.97 0.02 . 1 . . . . 33 ILE QG2 . 6840 1 367 . 1 1 33 33 ILE HD11 H 1 0.99 0.02 . 1 . . . . 33 ILE QD1 . 6840 1 368 . 1 1 33 33 ILE HD12 H 1 0.99 0.02 . 1 . . . . 33 ILE QD1 . 6840 1 369 . 1 1 33 33 ILE HD13 H 1 0.99 0.02 . 1 . . . . 33 ILE QD1 . 6840 1 370 . 1 1 33 33 ILE C C 13 175.1 0.2 . 1 . . . . 33 ILE C . 6840 1 371 . 1 1 33 33 ILE CA C 13 62.6 0.2 . 1 . . . . 33 ILE CA . 6840 1 372 . 1 1 33 33 ILE CB C 13 39.0 0.2 . 1 . . . . 33 ILE CB . 6840 1 373 . 1 1 33 33 ILE N N 15 123.7 0.2 . 1 . . . . 33 ILE N . 6840 1 374 . 1 1 34 34 VAL H H 1 8.64 0.02 . 1 . . . . 34 VAL HN . 6840 1 375 . 1 1 34 34 VAL HA H 1 4.72 0.02 . 1 . . . . 34 VAL HA . 6840 1 376 . 1 1 34 34 VAL HB H 1 1.90 0.02 . 1 . . . . 34 VAL HB . 6840 1 377 . 1 1 34 34 VAL HG11 H 1 0.47 0.02 . 1 . . . . 34 VAL QG1 . 6840 1 378 . 1 1 34 34 VAL HG12 H 1 0.47 0.02 . 1 . . . . 34 VAL QG1 . 6840 1 379 . 1 1 34 34 VAL HG13 H 1 0.47 0.02 . 1 . . . . 34 VAL QG1 . 6840 1 380 . 1 1 34 34 VAL HG21 H 1 0.80 0.02 . 1 . . . . 34 VAL QG2 . 6840 1 381 . 1 1 34 34 VAL HG22 H 1 0.80 0.02 . 1 . . . . 34 VAL QG2 . 6840 1 382 . 1 1 34 34 VAL HG23 H 1 0.80 0.02 . 1 . . . . 34 VAL QG2 . 6840 1 383 . 1 1 34 34 VAL C C 13 173.8 0.2 . 1 . . . . 34 VAL C . 6840 1 384 . 1 1 34 34 VAL CA C 13 60.5 0.2 . 1 . . . . 34 VAL CA . 6840 1 385 . 1 1 34 34 VAL CB C 13 34.60 0.02 . 1 . . . . 34 VAL CB . 6840 1 386 . 1 1 34 34 VAL N N 15 118.6 0.2 . 1 . . . . 34 VAL N . 6840 1 387 . 1 1 35 35 SER H H 1 8.62 0.02 . 1 . . . . 35 SER HN . 6840 1 388 . 1 1 35 35 SER HA H 1 4.62 0.02 . 1 . . . . 35 SER HA . 6840 1 389 . 1 1 35 35 SER HB2 H 1 3.65 0.02 . 1 . . . . 35 SER HB2 . 6840 1 390 . 1 1 35 35 SER HB3 H 1 3.84 0.02 . 1 . . . . 35 SER HB3 . 6840 1 391 . 1 1 35 35 SER C C 13 174.7 0.2 . 1 . . . . 35 SER C . 6840 1 392 . 1 1 35 35 SER CA C 13 56.3 0.2 . 1 . . . . 35 SER CA . 6840 1 393 . 1 1 35 35 SER CB C 13 64.8 0.2 . 1 . . . . 35 SER CB . 6840 1 394 . 1 1 35 35 SER N N 15 118.8 0.2 . 1 . . . . 35 SER N . 6840 1 395 . 1 1 36 36 GLU H H 1 5.73 0.02 . 1 . . . . 36 GLU HN . 6840 1 396 . 1 1 36 36 GLU HA H 1 3.18 0.02 . 1 . . . . 36 GLU HA . 6840 1 397 . 1 1 36 36 GLU HB2 H 1 2.14 0.02 . 2 . . . . 36 GLU HB2 . 6840 1 398 . 1 1 36 36 GLU HB3 H 1 2.19 0.02 . 2 . . . . 36 GLU HB3 . 6840 1 399 . 1 1 36 36 GLU HG2 H 1 2.31 0.02 . 1 . . . . 36 GLU HG2 . 6840 1 400 . 1 1 36 36 GLU HG3 H 1 2.31 0.02 . 1 . . . . 36 GLU HG3 . 6840 1 401 . 1 1 36 36 GLU C C 13 175.5 0.2 . 1 . . . . 36 GLU C . 6840 1 402 . 1 1 36 36 GLU CA C 13 58.2 0.2 . 1 . . . . 36 GLU CA . 6840 1 403 . 1 1 36 36 GLU CB C 13 31.4 0.2 . 1 . . . . 36 GLU CB . 6840 1 404 . 1 1 36 36 GLU N N 15 123.2 0.2 . 1 . . . . 36 GLU N . 6840 1 405 . 1 1 37 37 GLY H H 1 8.43 0.02 . 1 . . . . 37 GLY HN . 6840 1 406 . 1 1 37 37 GLY HA2 H 1 2.84 0.02 . 1 . . . . 37 GLY HA1 . 6840 1 407 . 1 1 37 37 GLY HA3 H 1 3.77 0.02 . 1 . . . . 37 GLY HA2 . 6840 1 408 . 1 1 37 37 GLY C C 13 170.9 0.2 . 1 . . . . 37 GLY C . 6840 1 409 . 1 1 37 37 GLY CA C 13 45.8 0.2 . 1 . . . . 37 GLY CA . 6840 1 410 . 1 1 37 37 GLY N N 15 135.8 0.2 . 1 . . . . 37 GLY N . 6840 1 411 . 1 1 38 38 LYS H H 1 7.54 0.02 . 1 . . . . 38 LYS HN . 6840 1 412 . 1 1 38 38 LYS HA H 1 4.61 0.02 . 1 . . . . 38 LYS HA . 6840 1 413 . 1 1 38 38 LYS HB2 H 1 1.79 0.02 . 1 . . . . 38 LYS HB2 . 6840 1 414 . 1 1 38 38 LYS HB3 H 1 1.79 0.02 . 1 . . . . 38 LYS HB3 . 6840 1 415 . 1 1 38 38 LYS HG2 H 1 1.40 0.02 . 1 . . . . 38 LYS HG2 . 6840 1 416 . 1 1 38 38 LYS HG3 H 1 1.40 0.02 . 1 . . . . 38 LYS HG3 . 6840 1 417 . 1 1 38 38 LYS C C 13 174.2 0.2 . 1 . . . . 38 LYS C . 6840 1 418 . 1 1 38 38 LYS CA C 13 54.3 0.2 . 1 . . . . 38 LYS CA . 6840 1 419 . 1 1 38 38 LYS CB C 13 34.3 0.2 . 1 . . . . 38 LYS CB . 6840 1 420 . 1 1 38 38 LYS N N 15 118.2 0.2 . 1 . . . . 38 LYS N . 6840 1 421 . 1 1 39 39 MET H H 1 8.91 0.02 . 1 . . . . 39 MET HN . 6840 1 422 . 1 1 39 39 MET HA H 1 4.58 0.02 . 1 . . . . 39 MET HA . 6840 1 423 . 1 1 39 39 MET HB2 H 1 1.87 0.02 . 2 . . . . 39 MET HB2 . 6840 1 424 . 1 1 39 39 MET HB3 H 1 2.07 0.02 . 2 . . . . 39 MET HB3 . 6840 1 425 . 1 1 39 39 MET HG2 H 1 2.46 0.02 . 2 . . . . 39 MET HG2 . 6840 1 426 . 1 1 39 39 MET HG3 H 1 2.65 0.02 . 2 . . . . 39 MET HG3 . 6840 1 427 . 1 1 39 39 MET HE1 H 1 1.97 0.02 . 1 . . . . 39 MET QE . 6840 1 428 . 1 1 39 39 MET HE2 H 1 1.97 0.02 . 1 . . . . 39 MET QE . 6840 1 429 . 1 1 39 39 MET HE3 H 1 1.97 0.02 . 1 . . . . 39 MET QE . 6840 1 430 . 1 1 39 39 MET CA C 13 55.6 0.2 . 1 . . . . 39 MET CA . 6840 1 431 . 1 1 39 39 MET N N 15 122.9 0.2 . 1 . . . . 39 MET N . 6840 1 432 . 1 1 40 40 ALA H H 1 8.42 0.02 . 1 . . . . 40 ALA HN . 6840 1 433 . 1 1 40 40 ALA HA H 1 4.52 0.02 . 1 . . . . 40 ALA HA . 6840 1 434 . 1 1 40 40 ALA HB1 H 1 1.35 0.02 . 1 . . . . 40 ALA QB . 6840 1 435 . 1 1 40 40 ALA HB2 H 1 1.35 0.02 . 1 . . . . 40 ALA QB . 6840 1 436 . 1 1 40 40 ALA HB3 H 1 1.35 0.02 . 1 . . . . 40 ALA QB . 6840 1 437 . 1 1 40 40 ALA N N 15 123.1 0.2 . 1 . . . . 40 ALA N . 6840 1 438 . 1 1 41 41 PRO HA H 1 4.08 0.02 . 1 . . . . 41 PRO HA . 6840 1 439 . 1 1 41 41 PRO HB2 H 1 2.06 0.02 . 2 . . . . 41 PRO HB2 . 6840 1 440 . 1 1 41 41 PRO HB3 H 1 2.39 0.02 . 2 . . . . 41 PRO HB3 . 6840 1 441 . 1 1 41 41 PRO HG2 H 1 2.07 0.02 . 1 . . . . 41 PRO HG2 . 6840 1 442 . 1 1 41 41 PRO HG3 H 1 2.22 0.02 . 1 . . . . 41 PRO HG3 . 6840 1 443 . 1 1 41 41 PRO HD2 H 1 3.88 0.02 . 1 . . . . 41 PRO HD2 . 6840 1 444 . 1 1 41 41 PRO HD3 H 1 3.96 0.02 . 1 . . . . 41 PRO HD3 . 6840 1 445 . 1 1 42 42 PHE H H 1 7.91 0.02 . 1 . . . . 42 PHE HN . 6840 1 446 . 1 1 42 42 PHE HA H 1 4.34 0.02 . 1 . . . . 42 PHE HA . 6840 1 447 . 1 1 42 42 PHE HB2 H 1 3.07 0.02 . 2 . . . . 42 PHE HB2 . 6840 1 448 . 1 1 42 42 PHE HB3 H 1 3.15 0.02 . 2 . . . . 42 PHE HB3 . 6840 1 449 . 1 1 42 42 PHE HD1 H 1 7.24 0.02 . 1 . . . . 42 PHE HD1 . 6840 1 450 . 1 1 42 42 PHE HD2 H 1 7.24 0.02 . 1 . . . . 42 PHE HD2 . 6840 1 451 . 1 1 42 42 PHE HE1 H 1 7.30 0.02 . 1 . . . . 42 PHE HE1 . 6840 1 452 . 1 1 42 42 PHE HE2 H 1 7.30 0.02 . 1 . . . . 42 PHE HE2 . 6840 1 453 . 1 1 42 42 PHE HZ H 1 7.22 0.02 . 1 . . . . 42 PHE HZ . 6840 1 454 . 1 1 42 42 PHE C C 13 176.7 0.2 . 1 . . . . 42 PHE C . 6840 1 455 . 1 1 42 42 PHE CB C 13 38.8 0.2 . 1 . . . . 42 PHE CB . 6840 1 456 . 1 1 42 42 PHE N N 15 119.4 0.2 . 1 . . . . 42 PHE N . 6840 1 457 . 1 1 43 43 THR H H 1 7.48 0.02 . 1 . . . . 43 THR HN . 6840 1 458 . 1 1 43 43 THR HA H 1 3.78 0.02 . 1 . . . . 43 THR HA . 6840 1 459 . 1 1 43 43 THR HB H 1 4.01 0.02 . 1 . . . . 43 THR HB . 6840 1 460 . 1 1 43 43 THR HG21 H 1 0.75 0.02 . 1 . . . . 43 THR QG2 . 6840 1 461 . 1 1 43 43 THR HG22 H 1 0.75 0.02 . 1 . . . . 43 THR QG2 . 6840 1 462 . 1 1 43 43 THR HG23 H 1 0.75 0.02 . 1 . . . . 43 THR QG2 . 6840 1 463 . 1 1 43 43 THR CA C 13 63.3 0.2 . 1 . . . . 43 THR CA . 6840 1 464 . 1 1 43 43 THR CB C 13 69.2 0.2 . 1 . . . . 43 THR CB . 6840 1 465 . 1 1 43 43 THR N N 15 111.0 0.2 . 1 . . . . 43 THR N . 6840 1 466 . 1 1 44 44 HIS H H 1 8.16 0.02 . 1 . . . . 44 HIS HN . 6840 1 467 . 1 1 44 44 HIS HA H 1 4.32 0.02 . 1 . . . . 44 HIS HA . 6840 1 468 . 1 1 44 44 HIS HB2 H 1 3.15 0.02 . 2 . . . . 44 HIS HB2 . 6840 1 469 . 1 1 44 44 HIS HB3 H 1 3.33 0.02 . 2 . . . . 44 HIS HB3 . 6840 1 470 . 1 1 44 44 HIS N N 15 121.1 0.2 . 1 . . . . 44 HIS N . 6840 1 471 . 1 1 45 45 ASP H H 1 8.15 0.02 . 1 . . . . 45 ASP HN . 6840 1 472 . 1 1 45 45 ASP HA H 1 4.43 0.02 . 1 . . . . 45 ASP HA . 6840 1 473 . 1 1 45 45 ASP HB2 H 1 2.59 0.02 . 1 . . . . 45 ASP HB2 . 6840 1 474 . 1 1 45 45 ASP HB3 H 1 2.59 0.02 . 1 . . . . 45 ASP HB3 . 6840 1 475 . 1 1 45 45 ASP N N 15 120.3 0.2 . 1 . . . . 45 ASP N . 6840 1 476 . 1 1 46 46 PHE H H 1 7.91 0.02 . 1 . . . . 46 PHE HN . 6840 1 477 . 1 1 46 46 PHE HA H 1 4.33 0.02 . 1 . . . . 46 PHE HA . 6840 1 478 . 1 1 46 46 PHE HB2 H 1 3.06 0.02 . 2 . . . . 46 PHE HB2 . 6840 1 479 . 1 1 46 46 PHE HB3 H 1 3.13 0.02 . 2 . . . . 46 PHE HB3 . 6840 1 480 . 1 1 46 46 PHE HD1 H 1 7.29 0.02 . 1 . . . . 46 PHE HD1 . 6840 1 481 . 1 1 46 46 PHE HD2 H 1 7.29 0.02 . 1 . . . . 46 PHE HD2 . 6840 1 482 . 1 1 46 46 PHE HE1 H 1 7.02 0.02 . 1 . . . . 46 PHE HE1 . 6840 1 483 . 1 1 46 46 PHE HE2 H 1 7.02 0.02 . 1 . . . . 46 PHE HE2 . 6840 1 484 . 1 1 46 46 PHE HZ H 1 7.29 0.02 . 1 . . . . 46 PHE HZ . 6840 1 485 . 1 1 46 46 PHE C C 13 176.5 0.2 . 1 . . . . 46 PHE C . 6840 1 486 . 1 1 46 46 PHE CB C 13 39.1 0.2 . 1 . . . . 46 PHE CB . 6840 1 487 . 1 1 46 46 PHE N N 15 119.9 0.2 . 1 . . . . 46 PHE N . 6840 1 488 . 1 1 47 47 ARG H H 1 7.81 0.02 . 1 . . . . 47 ARG HN . 6840 1 489 . 1 1 47 47 ARG HA H 1 4.07 0.02 . 1 . . . . 47 ARG HA . 6840 1 490 . 1 1 47 47 ARG HB2 H 1 1.88 0.02 . 1 . . . . 47 ARG HB2 . 6840 1 491 . 1 1 47 47 ARG HB3 H 1 1.88 0.02 . 1 . . . . 47 ARG HB3 . 6840 1 492 . 1 1 47 47 ARG HG2 H 1 1.80 0.02 . 1 . . . . 47 ARG HG2 . 6840 1 493 . 1 1 47 47 ARG HG3 H 1 1.80 0.02 . 1 . . . . 47 ARG HG3 . 6840 1 494 . 1 1 47 47 ARG HD2 H 1 3.14 0.02 . 1 . . . . 47 ARG HD2 . 6840 1 495 . 1 1 47 47 ARG HD3 H 1 3.14 0.02 . 1 . . . . 47 ARG HD3 . 6840 1 496 . 1 1 47 47 ARG C C 13 177.4 0.2 . 1 . . . . 47 ARG C . 6840 1 497 . 1 1 47 47 ARG CA C 13 57.3 0.2 . 1 . . . . 47 ARG CA . 6840 1 498 . 1 1 47 47 ARG CB C 13 30.2 0.2 . 1 . . . . 47 ARG CB . 6840 1 499 . 1 1 47 47 ARG N N 15 117.9 0.2 . 1 . . . . 47 ARG N . 6840 1 500 . 1 1 48 48 LYS H H 1 7.75 0.02 . 1 . . . . 48 LYS HN . 6840 1 501 . 1 1 48 48 LYS HA H 1 4.13 0.02 . 1 . . . . 48 LYS HA . 6840 1 502 . 1 1 48 48 LYS HB2 H 1 1.85 0.02 . 1 . . . . 48 LYS HB2 . 6840 1 503 . 1 1 48 48 LYS HB3 H 1 1.75 0.02 . 1 . . . . 48 LYS HB3 . 6840 1 504 . 1 1 48 48 LYS HG2 H 1 1.37 0.02 . 2 . . . . 48 LYS HG2 . 6840 1 505 . 1 1 48 48 LYS HG3 H 1 1.43 0.02 . 2 . . . . 48 LYS HG3 . 6840 1 506 . 1 1 48 48 LYS HD2 H 1 1.62 0.02 . 1 . . . . 48 LYS HD2 . 6840 1 507 . 1 1 48 48 LYS HD3 H 1 1.62 0.02 . 1 . . . . 48 LYS HD3 . 6840 1 508 . 1 1 48 48 LYS HE2 H 1 2.92 0.02 . 1 . . . . 48 LYS HE2 . 6840 1 509 . 1 1 48 48 LYS HE3 H 1 2.92 0.02 . 1 . . . . 48 LYS HE3 . 6840 1 510 . 1 1 48 48 LYS C C 13 176.7 0.2 . 1 . . . . 48 LYS C . 6840 1 511 . 1 1 48 48 LYS CA C 13 57.3 0.2 . 1 . . . . 48 LYS CA . 6840 1 512 . 1 1 48 48 LYS CB C 13 32.5 0.2 . 1 . . . . 48 LYS CB . 6840 1 513 . 1 1 48 48 LYS N N 15 119.2 0.2 . 1 . . . . 48 LYS N . 6840 1 514 . 1 1 49 49 ALA H H 1 7.75 0.02 . 1 . . . . 49 ALA HN . 6840 1 515 . 1 1 49 49 ALA HA H 1 4.19 0.02 . 1 . . . . 49 ALA HA . 6840 1 516 . 1 1 49 49 ALA HB1 H 1 1.37 0.02 . 1 . . . . 49 ALA QB . 6840 1 517 . 1 1 49 49 ALA HB2 H 1 1.37 0.02 . 1 . . . . 49 ALA QB . 6840 1 518 . 1 1 49 49 ALA HB3 H 1 1.37 0.02 . 1 . . . . 49 ALA QB . 6840 1 519 . 1 1 49 49 ALA C C 13 177.6 0.2 . 1 . . . . 49 ALA C . 6840 1 520 . 1 1 49 49 ALA CA C 13 53.1 0.2 . 1 . . . . 49 ALA CA . 6840 1 521 . 1 1 49 49 ALA CB C 13 18.8 0.2 . 1 . . . . 49 ALA CB . 6840 1 522 . 1 1 49 49 ALA N N 15 121.4 0.2 . 1 . . . . 49 ALA N . 6840 1 523 . 1 1 50 50 GLN H H 1 8.00 0.02 . 1 . . . . 50 GLN HN . 6840 1 524 . 1 1 50 50 GLN HA H 1 4.02 0.02 . 1 . . . . 50 GLN HA . 6840 1 525 . 1 1 50 50 GLN HB2 H 1 1.93 0.02 . 1 . . . . 50 GLN HB2 . 6840 1 526 . 1 1 50 50 GLN HB3 H 1 2.06 0.02 . 1 . . . . 50 GLN HB3 . 6840 1 527 . 1 1 50 50 GLN HG2 H 1 2.21 0.02 . 1 . . . . 50 GLN HG2 . 6840 1 528 . 1 1 50 50 GLN HG3 H 1 2.21 0.02 . 1 . . . . 50 GLN HG3 . 6840 1 529 . 1 1 50 50 GLN HE21 H 1 7.36 0.02 . 1 . . . . 50 GLN HE21 . 6840 1 530 . 1 1 50 50 GLN HE22 H 1 6.72 0.02 . 1 . . . . 50 GLN HE22 . 6840 1 531 . 1 1 50 50 GLN C C 13 175.5 0.2 . 1 . . . . 50 GLN C . 6840 1 532 . 1 1 50 50 GLN CA C 13 56.7 0.2 . 1 . . . . 50 GLN CA . 6840 1 533 . 1 1 50 50 GLN CB C 13 28.2 0.2 . 1 . . . . 50 GLN CB . 6840 1 534 . 1 1 50 50 GLN N N 15 115.7 0.2 . 1 . . . . 50 GLN N . 6840 1 535 . 1 1 50 50 GLN NE2 N 15 111.6 0.2 . 1 . . . . 50 GLN NE2 . 6840 1 536 . 1 1 51 51 GLN H H 1 7.75 0.02 . 1 . . . . 51 GLN HN . 6840 1 537 . 1 1 51 51 GLN HA H 1 4.23 0.02 . 1 . . . . 51 GLN HA . 6840 1 538 . 1 1 51 51 GLN HB2 H 1 1.95 0.02 . 1 . . . . 51 GLN HB2 . 6840 1 539 . 1 1 51 51 GLN HB3 H 1 1.95 0.02 . 1 . . . . 51 GLN HB3 . 6840 1 540 . 1 1 51 51 GLN HG2 H 1 2.22 0.02 . 1 . . . . 51 GLN HG2 . 6840 1 541 . 1 1 51 51 GLN HG3 H 1 2.22 0.02 . 1 . . . . 51 GLN HG3 . 6840 1 542 . 1 1 51 51 GLN HE21 H 1 7.37 0.02 . 1 . . . . 51 GLN HE21 . 6840 1 543 . 1 1 51 51 GLN HE22 H 1 6.76 0.02 . 1 . . . . 51 GLN HE22 . 6840 1 544 . 1 1 51 51 GLN CA C 13 55.7 0.2 . 1 . . . . 51 GLN CA . 6840 1 545 . 1 1 51 51 GLN CB C 13 29.8 0.2 . 1 . . . . 51 GLN CB . 6840 1 546 . 1 1 51 51 GLN N N 15 118.4 0.2 . 1 . . . . 51 GLN N . 6840 1 547 . 1 1 51 51 GLN NE2 N 15 111.7 0.2 . 1 . . . . 51 GLN NE2 . 6840 1 548 . 1 1 52 52 ARG H H 1 8.09 0.02 . 1 . . . . 52 ARG HN . 6840 1 549 . 1 1 52 52 ARG HA H 1 4.22 0.02 . 1 . . . . 52 ARG HA . 6840 1 550 . 1 1 52 52 ARG N N 15 121.1 0.2 . 1 . . . . 52 ARG N . 6840 1 551 . 1 1 53 53 MET HE1 H 1 1.18 0.02 . 1 . . . . 53 MET QE . 6840 1 552 . 1 1 53 53 MET HE2 H 1 1.18 0.02 . 1 . . . . 53 MET QE . 6840 1 553 . 1 1 53 53 MET HE3 H 1 1.18 0.02 . 1 . . . . 53 MET QE . 6840 1 554 . 1 1 54 54 PRO HA H 1 4.38 0.02 . 1 . . . . 54 PRO HA . 6840 1 555 . 1 1 54 54 PRO HB2 H 1 1.86 0.02 . 1 . . . . 54 PRO HB2 . 6840 1 556 . 1 1 54 54 PRO HB3 H 1 2.31 0.02 . 1 . . . . 54 PRO HB3 . 6840 1 557 . 1 1 54 54 PRO HG2 H 1 2.00 0.02 . 1 . . . . 54 PRO HG2 . 6840 1 558 . 1 1 54 54 PRO HG3 H 1 2.00 0.02 . 1 . . . . 54 PRO HG3 . 6840 1 559 . 1 1 54 54 PRO HD2 H 1 3.60 0.02 . 2 . . . . 54 PRO HD2 . 6840 1 560 . 1 1 54 54 PRO HD3 H 1 3.96 0.02 . 2 . . . . 54 PRO HD3 . 6840 1 561 . 1 1 54 54 PRO C C 13 175.0 0.2 . 1 . . . . 54 PRO C . 6840 1 562 . 1 1 54 54 PRO CA C 13 62.3 0.2 . 1 . . . . 54 PRO CA . 6840 1 563 . 1 1 54 54 PRO CB C 13 31.9 0.2 . 1 . . . . 54 PRO CB . 6840 1 564 . 1 1 55 55 ALA H H 1 8.09 0.02 . 1 . . . . 55 ALA HN . 6840 1 565 . 1 1 55 55 ALA HA H 1 4.38 0.02 . 1 . . . . 55 ALA HA . 6840 1 566 . 1 1 55 55 ALA HB1 H 1 1.11 0.02 . 1 . . . . 55 ALA QB . 6840 1 567 . 1 1 55 55 ALA HB2 H 1 1.11 0.02 . 1 . . . . 55 ALA QB . 6840 1 568 . 1 1 55 55 ALA HB3 H 1 1.11 0.02 . 1 . . . . 55 ALA QB . 6840 1 569 . 1 1 55 55 ALA C C 13 177.8 0.2 . 1 . . . . 55 ALA C . 6840 1 570 . 1 1 55 55 ALA CA C 13 51.4 0.2 . 1 . . . . 55 ALA CA . 6840 1 571 . 1 1 55 55 ALA CB C 13 19.3 0.2 . 1 . . . . 55 ALA CB . 6840 1 572 . 1 1 55 55 ALA N N 15 121.1 0.2 . 1 . . . . 55 ALA N . 6840 1 573 . 1 1 56 56 ILE H H 1 8.83 0.02 . 1 . . . . 56 ILE HN . 6840 1 574 . 1 1 56 56 ILE HA H 1 4.02 0.02 . 1 . . . . 56 ILE HA . 6840 1 575 . 1 1 56 56 ILE HB H 1 0.80 0.02 . 1 . . . . 56 ILE HB . 6840 1 576 . 1 1 56 56 ILE HG12 H 1 1.59 0.02 . 1 . . . . 56 ILE HG12 . 6840 1 577 . 1 1 56 56 ILE HG13 H 1 1.88 0.02 . 1 . . . . 56 ILE HG13 . 6840 1 578 . 1 1 56 56 ILE HG21 H 1 0.87 0.02 . 1 . . . . 56 ILE QG2 . 6840 1 579 . 1 1 56 56 ILE HG22 H 1 0.87 0.02 . 1 . . . . 56 ILE QG2 . 6840 1 580 . 1 1 56 56 ILE HG23 H 1 0.87 0.02 . 1 . . . . 56 ILE QG2 . 6840 1 581 . 1 1 56 56 ILE HD11 H 1 0.33 0.02 . 1 . . . . 56 ILE QD1 . 6840 1 582 . 1 1 56 56 ILE HD12 H 1 0.33 0.02 . 1 . . . . 56 ILE QD1 . 6840 1 583 . 1 1 56 56 ILE HD13 H 1 0.33 0.02 . 1 . . . . 56 ILE QD1 . 6840 1 584 . 1 1 56 56 ILE CA C 13 59.9 0.2 . 1 . . . . 56 ILE CA . 6840 1 585 . 1 1 56 56 ILE CB C 13 39.9 0.2 . 1 . . . . 56 ILE CB . 6840 1 586 . 1 1 56 56 ILE N N 15 124.1 0.2 . 1 . . . . 56 ILE N . 6840 1 587 . 1 1 57 57 PRO HA H 1 4.63 0.02 . 1 . . . . 57 PRO HA . 6840 1 588 . 1 1 57 57 PRO HB2 H 1 2.22 0.02 . 1 . . . . 57 PRO HB2 . 6840 1 589 . 1 1 57 57 PRO HB3 H 1 2.47 0.02 . 1 . . . . 57 PRO HB3 . 6840 1 590 . 1 1 57 57 PRO HG2 H 1 2.04 0.02 . 1 . . . . 57 PRO HG2 . 6840 1 591 . 1 1 57 57 PRO HG3 H 1 2.13 0.02 . 1 . . . . 57 PRO HG3 . 6840 1 592 . 1 1 57 57 PRO HD2 H 1 3.47 0.02 . 1 . . . . 57 PRO HD2 . 6840 1 593 . 1 1 57 57 PRO HD3 H 1 4.09 0.02 . 1 . . . . 57 PRO HD3 . 6840 1 594 . 1 1 57 57 PRO C C 13 178.7 0.2 . 1 . . . . 57 PRO C . 6840 1 595 . 1 1 57 57 PRO CA C 13 63.0 0.2 . 1 . . . . 57 PRO CA . 6840 1 596 . 1 1 57 57 PRO CB C 13 33.7 0.2 . 1 . . . . 57 PRO CB . 6840 1 597 . 1 1 58 58 VAL H H 1 8.73 0.02 . 1 . . . . 58 VAL HN . 6840 1 598 . 1 1 58 58 VAL HA H 1 3.63 0.02 . 1 . . . . 58 VAL HA . 6840 1 599 . 1 1 58 58 VAL HB H 1 2.05 0.02 . 1 . . . . 58 VAL HB . 6840 1 600 . 1 1 58 58 VAL HG11 H 1 0.93 0.02 . 2 . . . . 58 VAL QG1 . 6840 1 601 . 1 1 58 58 VAL HG12 H 1 0.93 0.02 . 2 . . . . 58 VAL QG1 . 6840 1 602 . 1 1 58 58 VAL HG13 H 1 0.93 0.02 . 2 . . . . 58 VAL QG1 . 6840 1 603 . 1 1 58 58 VAL HG21 H 1 0.96 0.02 . 2 . . . . 58 VAL QG2 . 6840 1 604 . 1 1 58 58 VAL HG22 H 1 0.96 0.02 . 2 . . . . 58 VAL QG2 . 6840 1 605 . 1 1 58 58 VAL HG23 H 1 0.96 0.02 . 2 . . . . 58 VAL QG2 . 6840 1 606 . 1 1 58 58 VAL C C 13 175.5 0.2 . 1 . . . . 58 VAL C . 6840 1 607 . 1 1 58 58 VAL CA C 13 64.6 0.2 . 1 . . . . 58 VAL CA . 6840 1 608 . 1 1 58 58 VAL CB C 13 32.2 0.2 . 1 . . . . 58 VAL CB . 6840 1 609 . 1 1 58 58 VAL N N 15 118.5 0.2 . 1 . . . . 58 VAL N . 6840 1 610 . 1 1 59 59 ASN H H 1 8.16 0.02 . 1 . . . . 59 ASN HN . 6840 1 611 . 1 1 59 59 ASN HA H 1 4.54 0.02 . 1 . . . . 59 ASN HA . 6840 1 612 . 1 1 59 59 ASN HB2 H 1 2.67 0.02 . 1 . . . . 59 ASN HB2 . 6840 1 613 . 1 1 59 59 ASN HB3 H 1 2.94 0.02 . 1 . . . . 59 ASN HB3 . 6840 1 614 . 1 1 59 59 ASN HD21 H 1 7.59 0.02 . 1 . . . . 59 ASN HD21 . 6840 1 615 . 1 1 59 59 ASN HD22 H 1 6.94 0.02 . 1 . . . . 59 ASN HD22 . 6840 1 616 . 1 1 59 59 ASN C C 13 173.9 0.2 . 1 . . . . 59 ASN C . 6840 1 617 . 1 1 59 59 ASN CA C 13 53.6 0.2 . 1 . . . . 59 ASN CA . 6840 1 618 . 1 1 59 59 ASN CB C 13 37.1 0.2 . 1 . . . . 59 ASN CB . 6840 1 619 . 1 1 59 59 ASN N N 15 112.6 0.2 . 1 . . . . 59 ASN N . 6840 1 620 . 1 1 59 59 ASN ND2 N 15 112.8 0.2 . 1 . . . . 59 ASN ND2 . 6840 1 621 . 1 1 60 60 ILE H H 1 7.08 0.02 . 1 . . . . 60 ILE HN . 6840 1 622 . 1 1 60 60 ILE HA H 1 4.20 0.02 . 1 . . . . 60 ILE HA . 6840 1 623 . 1 1 60 60 ILE HB H 1 1.89 0.02 . 1 . . . . 60 ILE HB . 6840 1 624 . 1 1 60 60 ILE HG12 H 1 1.23 0.02 . 2 . . . . 60 ILE HG12 . 6840 1 625 . 1 1 60 60 ILE HG13 H 1 1.29 0.02 . 2 . . . . 60 ILE HG13 . 6840 1 626 . 1 1 60 60 ILE HG21 H 1 0.88 0.02 . 1 . . . . 60 ILE QG2 . 6840 1 627 . 1 1 60 60 ILE HG22 H 1 0.88 0.02 . 1 . . . . 60 ILE QG2 . 6840 1 628 . 1 1 60 60 ILE HG23 H 1 0.88 0.02 . 1 . . . . 60 ILE QG2 . 6840 1 629 . 1 1 60 60 ILE HD11 H 1 0.75 0.02 . 1 . . . . 60 ILE QD1 . 6840 1 630 . 1 1 60 60 ILE HD12 H 1 0.75 0.02 . 1 . . . . 60 ILE QD1 . 6840 1 631 . 1 1 60 60 ILE HD13 H 1 0.75 0.02 . 1 . . . . 60 ILE QD1 . 6840 1 632 . 1 1 60 60 ILE C C 13 174.2 0.2 . 1 . . . . 60 ILE C . 6840 1 633 . 1 1 60 60 ILE CA C 13 59.5 0.2 . 1 . . . . 60 ILE CA . 6840 1 634 . 1 1 60 60 ILE CB C 13 37.0 0.2 . 1 . . . . 60 ILE CB . 6840 1 635 . 1 1 60 60 ILE N N 15 121.1 0.2 . 1 . . . . 60 ILE N . 6840 1 636 . 1 1 61 61 HIS H H 1 9.06 0.02 . 1 . . . . 61 HIS HN . 6840 1 637 . 1 1 61 61 HIS HA H 1 4.87 0.02 . 1 . . . . 61 HIS HA . 6840 1 638 . 1 1 61 61 HIS HB2 H 1 3.03 0.02 . 1 . . . . 61 HIS HB2 . 6840 1 639 . 1 1 61 61 HIS HB3 H 1 3.22 0.02 . 1 . . . . 61 HIS HB3 . 6840 1 640 . 1 1 61 61 HIS HD2 H 1 7.00 0.02 . 1 . . . . 61 HIS HD2 . 6840 1 641 . 1 1 61 61 HIS HE1 H 1 8.26 0.02 . 1 . . . . 61 HIS HE1 . 6840 1 642 . 1 1 61 61 HIS C C 13 174.5 0.2 . 1 . . . . 61 HIS C . 6840 1 643 . 1 1 61 61 HIS CA C 13 55.5 0.2 . 1 . . . . 61 HIS CA . 6840 1 644 . 1 1 61 61 HIS CB C 13 29.8 0.2 . 1 . . . . 61 HIS CB . 6840 1 645 . 1 1 61 61 HIS N N 15 123.2 0.2 . 1 . . . . 61 HIS N . 6840 1 646 . 1 1 62 62 SER H H 1 7.92 0.02 . 1 . . . . 62 SER HN . 6840 1 647 . 1 1 62 62 SER HA H 1 4.85 0.02 . 1 . . . . 62 SER HA . 6840 1 648 . 1 1 62 62 SER HB2 H 1 3.37 0.02 . 2 . . . . 62 SER HB2 . 6840 1 649 . 1 1 62 62 SER HB3 H 1 3.66 0.02 . 2 . . . . 62 SER HB3 . 6840 1 650 . 1 1 62 62 SER C C 13 170.8 0.2 . 1 . . . . 62 SER C . 6840 1 651 . 1 1 62 62 SER CA C 13 56.7 0.2 . 1 . . . . 62 SER CA . 6840 1 652 . 1 1 62 62 SER CB C 13 64.8 0.2 . 1 . . . . 62 SER CB . 6840 1 653 . 1 1 62 62 SER N N 15 113.2 0.2 . 1 . . . . 62 SER N . 6840 1 654 . 1 1 63 63 MET H H 1 9.00 0.02 . 1 . . . . 63 MET HN . 6840 1 655 . 1 1 63 63 MET HA H 1 4.61 0.02 . 1 . . . . 63 MET HA . 6840 1 656 . 1 1 63 63 MET HB2 H 1 1.74 0.02 . 1 . . . . 63 MET HB2 . 6840 1 657 . 1 1 63 63 MET HB3 H 1 2.16 0.02 . 1 . . . . 63 MET HB3 . 6840 1 658 . 1 1 63 63 MET HG2 H 1 2.57 0.02 . 2 . . . . 63 MET HG2 . 6840 1 659 . 1 1 63 63 MET HG3 H 1 2.70 0.02 . 2 . . . . 63 MET HG3 . 6840 1 660 . 1 1 63 63 MET HE1 H 1 1.89 0.02 . 1 . . . . 63 MET QE . 6840 1 661 . 1 1 63 63 MET HE2 H 1 1.89 0.02 . 1 . . . . 63 MET QE . 6840 1 662 . 1 1 63 63 MET HE3 H 1 1.89 0.02 . 1 . . . . 63 MET QE . 6840 1 663 . 1 1 63 63 MET C C 13 172.5 0.2 . 1 . . . . 63 MET C . 6840 1 664 . 1 1 63 63 MET CA C 13 54.6 0.2 . 1 . . . . 63 MET CA . 6840 1 665 . 1 1 63 63 MET CB C 13 29.8 0.2 . 1 . . . . 63 MET CB . 6840 1 666 . 1 1 63 63 MET N N 15 118.4 0.2 . 1 . . . . 63 MET N . 6840 1 667 . 1 1 64 64 ASN H H 1 8.66 0.02 . 1 . . . . 64 ASN HN . 6840 1 668 . 1 1 64 64 ASN HA H 1 5.22 0.02 . 1 . . . . 64 ASN HA . 6840 1 669 . 1 1 64 64 ASN HB2 H 1 2.23 0.02 . 1 . . . . 64 ASN HB2 . 6840 1 670 . 1 1 64 64 ASN HB3 H 1 2.61 0.02 . 1 . . . . 64 ASN HB3 . 6840 1 671 . 1 1 64 64 ASN HD21 H 1 7.58 0.02 . 1 . . . . 64 ASN HD21 . 6840 1 672 . 1 1 64 64 ASN HD22 H 1 6.58 0.02 . 1 . . . . 64 ASN HD22 . 6840 1 673 . 1 1 64 64 ASN C C 13 175.2 0.2 . 1 . . . . 64 ASN C . 6840 1 674 . 1 1 64 64 ASN CA C 13 51.7 0.2 . 1 . . . . 64 ASN CA . 6840 1 675 . 1 1 64 64 ASN CB C 13 37.8 0.2 . 1 . . . . 64 ASN CB . 6840 1 676 . 1 1 64 64 ASN N N 15 121.9 0.2 . 1 . . . . 64 ASN N . 6840 1 677 . 1 1 64 64 ASN ND2 N 15 110.9 0.2 . 1 . . . . 64 ASN ND2 . 6840 1 678 . 1 1 65 65 PHE H H 1 9.16 0.02 . 1 . . . . 65 PHE HN . 6840 1 679 . 1 1 65 65 PHE HA H 1 4.53 0.02 . 1 . . . . 65 PHE HA . 6840 1 680 . 1 1 65 65 PHE HB2 H 1 2.50 0.02 . 2 . . . . 65 PHE HB2 . 6840 1 681 . 1 1 65 65 PHE HB3 H 1 2.55 0.02 . 2 . . . . 65 PHE HB3 . 6840 1 682 . 1 1 65 65 PHE HD1 H 1 6.82 0.02 . 1 . . . . 65 PHE HD1 . 6840 1 683 . 1 1 65 65 PHE HD2 H 1 6.82 0.02 . 1 . . . . 65 PHE HD2 . 6840 1 684 . 1 1 65 65 PHE HE1 H 1 6.81 0.02 . 1 . . . . 65 PHE HE1 . 6840 1 685 . 1 1 65 65 PHE HE2 H 1 6.81 0.02 . 1 . . . . 65 PHE HE2 . 6840 1 686 . 1 1 65 65 PHE HZ H 1 7.11 0.02 . 1 . . . . 65 PHE HZ . 6840 1 687 . 1 1 65 65 PHE C C 13 173.1 0.2 . 1 . . . . 65 PHE C . 6840 1 688 . 1 1 65 65 PHE CA C 13 56.9 0.2 . 1 . . . . 65 PHE CA . 6840 1 689 . 1 1 65 65 PHE CB C 13 39.7 0.2 . 1 . . . . 65 PHE CB . 6840 1 690 . 1 1 65 65 PHE N N 15 123.9 0.2 . 1 . . . . 65 PHE N . 6840 1 691 . 1 1 66 66 THR H H 1 9.13 0.02 . 1 . . . . 66 THR HN . 6840 1 692 . 1 1 66 66 THR HA H 1 4.68 0.02 . 1 . . . . 66 THR HA . 6840 1 693 . 1 1 66 66 THR HB H 1 1.82 0.02 . 1 . . . . 66 THR HB . 6840 1 694 . 1 1 66 66 THR HG21 H 1 0.26 0.02 . 1 . . . . 66 THR QG2 . 6840 1 695 . 1 1 66 66 THR HG22 H 1 0.26 0.02 . 1 . . . . 66 THR QG2 . 6840 1 696 . 1 1 66 66 THR HG23 H 1 0.26 0.02 . 1 . . . . 66 THR QG2 . 6840 1 697 . 1 1 66 66 THR C C 13 171.6 0.2 . 1 . . . . 66 THR C . 6840 1 698 . 1 1 66 66 THR CA C 13 61.4 0.2 . 1 . . . . 66 THR CA . 6840 1 699 . 1 1 66 66 THR CB C 13 71.6 0.2 . 1 . . . . 66 THR CB . 6840 1 700 . 1 1 66 66 THR N N 15 117.9 0.2 . 1 . . . . 66 THR N . 6840 1 701 . 1 1 67 67 TRP H H 1 8.91 0.02 . 1 . . . . 67 TRP HN . 6840 1 702 . 1 1 67 67 TRP HA H 1 5.70 0.02 . 1 . . . . 67 TRP HA . 6840 1 703 . 1 1 67 67 TRP HB2 H 1 3.20 0.02 . 1 . . . . 67 TRP HB2 . 6840 1 704 . 1 1 67 67 TRP HB3 H 1 3.27 0.02 . 1 . . . . 67 TRP HB3 . 6840 1 705 . 1 1 67 67 TRP HD1 H 1 7.17 0.02 . 1 . . . . 67 TRP HD1 . 6840 1 706 . 1 1 67 67 TRP HE1 H 1 10.16 0.02 . 1 . . . . 67 TRP HE1 . 6840 1 707 . 1 1 67 67 TRP HE3 H 1 6.85 0.02 . 1 . . . . 67 TRP HE3 . 6840 1 708 . 1 1 67 67 TRP HZ2 H 1 6.51 0.02 . 1 . . . . 67 TRP HZ2 . 6840 1 709 . 1 1 67 67 TRP HZ3 H 1 6.10 0.02 . 1 . . . . 67 TRP HZ3 . 6840 1 710 . 1 1 67 67 TRP HH2 H 1 5.43 0.02 . 1 . . . . 67 TRP HH2 . 6840 1 711 . 1 1 67 67 TRP C C 13 174.8 0.2 . 1 . . . . 67 TRP C . 6840 1 712 . 1 1 67 67 TRP CA C 13 52.7 0.2 . 1 . . . . 67 TRP CA . 6840 1 713 . 1 1 67 67 TRP CB C 13 33.0 0.2 . 1 . . . . 67 TRP CB . 6840 1 714 . 1 1 67 67 TRP N N 15 121.4 0.2 . 1 . . . . 67 TRP N . 6840 1 715 . 1 1 67 67 TRP NE1 N 15 127.2 0.2 . 1 . . . . 67 TRP NE1 . 6840 1 716 . 1 1 68 68 GLN H H 1 8.48 0.02 . 1 . . . . 68 GLN HN . 6840 1 717 . 1 1 68 68 GLN HA H 1 4.30 0.02 . 1 . . . . 68 GLN HA . 6840 1 718 . 1 1 68 68 GLN HB2 H 1 1.99 0.02 . 1 . . . . 68 GLN HB2 . 6840 1 719 . 1 1 68 68 GLN HB3 H 1 1.93 0.02 . 1 . . . . 68 GLN HB3 . 6840 1 720 . 1 1 68 68 GLN HG2 H 1 2.09 0.02 . 1 . . . . 68 GLN HG2 . 6840 1 721 . 1 1 68 68 GLN HG3 H 1 2.13 0.02 . 1 . . . . 68 GLN HG3 . 6840 1 722 . 1 1 68 68 GLN HE21 H 1 7.13 0.02 . 1 . . . . 68 GLN HE21 . 6840 1 723 . 1 1 68 68 GLN HE22 H 1 6.73 0.02 . 1 . . . . 68 GLN HE22 . 6840 1 724 . 1 1 68 68 GLN C C 13 173.3 0.2 . 1 . . . . 68 GLN C . 6840 1 725 . 1 1 68 68 GLN CA C 13 56.3 0.2 . 1 . . . . 68 GLN CA . 6840 1 726 . 1 1 68 68 GLN CB C 13 33.2 0.2 . 1 . . . . 68 GLN CB . 6840 1 727 . 1 1 68 68 GLN N N 15 114.9 0.2 . 1 . . . . 68 GLN N . 6840 1 728 . 1 1 68 68 GLN NE2 N 15 106.7 0.2 . 1 . . . . 68 GLN NE2 . 6840 1 729 . 1 1 69 69 ALA H H 1 8.60 0.02 . 1 . . . . 69 ALA HN . 6840 1 730 . 1 1 69 69 ALA HA H 1 4.84 0.02 . 1 . . . . 69 ALA HA . 6840 1 731 . 1 1 69 69 ALA HB1 H 1 1.02 0.02 . 1 . . . . 69 ALA QB . 6840 1 732 . 1 1 69 69 ALA HB2 H 1 1.02 0.02 . 1 . . . . 69 ALA QB . 6840 1 733 . 1 1 69 69 ALA HB3 H 1 1.02 0.02 . 1 . . . . 69 ALA QB . 6840 1 734 . 1 1 69 69 ALA C C 13 177.0 0.2 . 1 . . . . 69 ALA C . 6840 1 735 . 1 1 69 69 ALA CA C 13 51.0 0.2 . 1 . . . . 69 ALA CA . 6840 1 736 . 1 1 69 69 ALA CB C 13 18.4 0.2 . 1 . . . . 69 ALA CB . 6840 1 737 . 1 1 69 69 ALA N N 15 130.5 0.2 . 1 . . . . 69 ALA N . 6840 1 738 . 1 1 70 70 ALA H H 1 8.57 0.02 . 1 . . . . 70 ALA HN . 6840 1 739 . 1 1 70 70 ALA HA H 1 4.56 0.02 . 1 . . . . 70 ALA HA . 6840 1 740 . 1 1 70 70 ALA HB1 H 1 1.47 0.02 . 1 . . . . 70 ALA QB . 6840 1 741 . 1 1 70 70 ALA HB2 H 1 1.47 0.02 . 1 . . . . 70 ALA QB . 6840 1 742 . 1 1 70 70 ALA HB3 H 1 1.47 0.02 . 1 . . . . 70 ALA QB . 6840 1 743 . 1 1 70 70 ALA C C 13 176.5 0.2 . 1 . . . . 70 ALA C . 6840 1 744 . 1 1 70 70 ALA CA C 13 52.9 0.2 . 1 . . . . 70 ALA CA . 6840 1 745 . 1 1 70 70 ALA CB C 13 19.8 0.2 . 1 . . . . 70 ALA CB . 6840 1 746 . 1 1 70 70 ALA N N 15 125.7 0.2 . 1 . . . . 70 ALA N . 6840 1 747 . 1 1 71 71 GLY H H 1 8.74 0.02 . 1 . . . . 71 GLY HN . 6840 1 748 . 1 1 71 71 GLY HA2 H 1 3.86 0.02 . 1 . . . . 71 GLY HA1 . 6840 1 749 . 1 1 71 71 GLY HA3 H 1 4.40 0.02 . 1 . . . . 71 GLY HA2 . 6840 1 750 . 1 1 71 71 GLY C C 13 173.6 0.2 . 1 . . . . 71 GLY C . 6840 1 751 . 1 1 71 71 GLY CA C 13 44.8 0.2 . 1 . . . . 71 GLY CA . 6840 1 752 . 1 1 71 71 GLY N N 15 110.0 0.2 . 1 . . . . 71 GLY N . 6840 1 753 . 1 1 72 72 GLN H H 1 8.46 0.02 . 1 . . . . 72 GLN HN . 6840 1 754 . 1 1 72 72 GLN HA H 1 4.04 0.02 . 1 . . . . 72 GLN HA . 6840 1 755 . 1 1 72 72 GLN HB2 H 1 1.88 0.02 . 1 . . . . 72 GLN HB2 . 6840 1 756 . 1 1 72 72 GLN HB3 H 1 2.07 0.02 . 1 . . . . 72 GLN HB3 . 6840 1 757 . 1 1 72 72 GLN HG2 H 1 2.29 0.02 . 1 . . . . 72 GLN HG2 . 6840 1 758 . 1 1 72 72 GLN HG3 H 1 2.29 0.02 . 1 . . . . 72 GLN HG3 . 6840 1 759 . 1 1 72 72 GLN HE21 H 1 7.47 0.02 . 1 . . . . 72 GLN HE21 . 6840 1 760 . 1 1 72 72 GLN HE22 H 1 6.74 0.02 . 1 . . . . 72 GLN HE22 . 6840 1 761 . 1 1 72 72 GLN C C 13 176.5 0.2 . 1 . . . . 72 GLN C . 6840 1 762 . 1 1 72 72 GLN CA C 13 56.1 0.2 . 1 . . . . 72 GLN CA . 6840 1 763 . 1 1 72 72 GLN CB C 13 29.4 0.2 . 1 . . . . 72 GLN CB . 6840 1 764 . 1 1 72 72 GLN N N 15 119.2 0.2 . 1 . . . . 72 GLN N . 6840 1 765 . 1 1 72 72 GLN NE2 N 15 112.7 0.2 . 1 . . . . 72 GLN NE2 . 6840 1 766 . 1 1 73 73 ALA H H 1 7.58 0.02 . 1 . . . . 73 ALA HN . 6840 1 767 . 1 1 73 73 ALA HA H 1 4.12 0.02 . 1 . . . . 73 ALA HA . 6840 1 768 . 1 1 73 73 ALA HB1 H 1 1.16 0.02 . 1 . . . . 73 ALA QB . 6840 1 769 . 1 1 73 73 ALA HB2 H 1 1.16 0.02 . 1 . . . . 73 ALA QB . 6840 1 770 . 1 1 73 73 ALA HB3 H 1 1.16 0.02 . 1 . . . . 73 ALA QB . 6840 1 771 . 1 1 73 73 ALA C C 13 176.3 0.2 . 1 . . . . 73 ALA C . 6840 1 772 . 1 1 73 73 ALA CA C 13 52.3 0.2 . 1 . . . . 73 ALA CA . 6840 1 773 . 1 1 73 73 ALA CB C 13 19.8 0.2 . 1 . . . . 73 ALA CB . 6840 1 774 . 1 1 73 73 ALA N N 15 122.3 0.2 . 1 . . . . 73 ALA N . 6840 1 775 . 1 1 74 74 GLU H H 1 7.80 0.02 . 1 . . . . 74 GLU HN . 6840 1 776 . 1 1 74 74 GLU HA H 1 4.50 0.02 . 1 . . . . 74 GLU HA . 6840 1 777 . 1 1 74 74 GLU HB2 H 1 1.51 0.02 . 2 . . . . 74 GLU HB2 . 6840 1 778 . 1 1 74 74 GLU HB3 H 1 1.54 0.02 . 2 . . . . 74 GLU HB3 . 6840 1 779 . 1 1 74 74 GLU HG2 H 1 2.15 0.02 . 1 . . . . 74 GLU HG2 . 6840 1 780 . 1 1 74 74 GLU HG3 H 1 2.15 0.02 . 1 . . . . 74 GLU HG3 . 6840 1 781 . 1 1 74 74 GLU C C 13 175.1 0.2 . 1 . . . . 74 GLU C . 6840 1 782 . 1 1 74 74 GLU CA C 13 53.6 0.2 . 1 . . . . 74 GLU CA . 6840 1 783 . 1 1 74 74 GLU CB C 13 31.5 0.2 . 1 . . . . 74 GLU CB . 6840 1 784 . 1 1 74 74 GLU N N 15 118.7 0.2 . 1 . . . . 74 GLU N . 6840 1 785 . 1 1 75 75 TYR H H 1 8.97 0.02 . 1 . . . . 75 TYR HN . 6840 1 786 . 1 1 75 75 TYR HA H 1 4.87 0.02 . 1 . . . . 75 TYR HA . 6840 1 787 . 1 1 75 75 TYR HB2 H 1 2.03 0.02 . 1 . . . . 75 TYR HB2 . 6840 1 788 . 1 1 75 75 TYR HB3 H 1 2.62 0.02 . 1 . . . . 75 TYR HB3 . 6840 1 789 . 1 1 75 75 TYR HD1 H 1 6.63 0.02 . 1 . . . . 75 TYR HD1 . 6840 1 790 . 1 1 75 75 TYR HD2 H 1 6.73 0.02 . 1 . . . . 75 TYR HD2 . 6840 1 791 . 1 1 75 75 TYR HE1 H 1 6.68 0.02 . 1 . . . . 75 TYR HE1 . 6840 1 792 . 1 1 75 75 TYR HE2 H 1 6.68 0.02 . 1 . . . . 75 TYR HE2 . 6840 1 793 . 1 1 75 75 TYR C C 13 173.9 0.2 . 1 . . . . 75 TYR C . 6840 1 794 . 1 1 75 75 TYR CA C 13 56.6 0.2 . 1 . . . . 75 TYR CA . 6840 1 795 . 1 1 75 75 TYR CB C 13 38.0 0.2 . 1 . . . . 75 TYR CB . 6840 1 796 . 1 1 75 75 TYR N N 15 118.8 0.2 . 1 . . . . 75 TYR N . 6840 1 797 . 1 1 76 76 PHE H H 1 8.77 0.02 . 1 . . . . 76 PHE HN . 6840 1 798 . 1 1 76 76 PHE HA H 1 5.01 0.02 . 1 . . . . 76 PHE HA . 6840 1 799 . 1 1 76 76 PHE HB2 H 1 2.57 0.02 . 1 . . . . 76 PHE HB2 . 6840 1 800 . 1 1 76 76 PHE HB3 H 1 3.21 0.02 . 1 . . . . 76 PHE HB3 . 6840 1 801 . 1 1 76 76 PHE HD1 H 1 6.94 0.02 . 1 . . . . 76 PHE HD1 . 6840 1 802 . 1 1 76 76 PHE HD2 H 1 6.94 0.02 . 1 . . . . 76 PHE HD2 . 6840 1 803 . 1 1 76 76 PHE HE1 H 1 7.04 0.02 . 1 . . . . 76 PHE HE1 . 6840 1 804 . 1 1 76 76 PHE HE2 H 1 7.04 0.02 . 1 . . . . 76 PHE HE2 . 6840 1 805 . 1 1 76 76 PHE HZ H 1 7.11 0.02 . 1 . . . . 76 PHE HZ . 6840 1 806 . 1 1 76 76 PHE C C 13 174.3 0.2 . 1 . . . . 76 PHE C . 6840 1 807 . 1 1 76 76 PHE CA C 13 56.2 0.2 . 1 . . . . 76 PHE CA . 6840 1 808 . 1 1 76 76 PHE CB C 13 41.2 0.2 . 1 . . . . 76 PHE CB . 6840 1 809 . 1 1 76 76 PHE N N 15 121.8 0.2 . 1 . . . . 76 PHE N . 6840 1 810 . 1 1 77 77 TYR H H 1 8.86 0.02 . 1 . . . . 77 TYR HN . 6840 1 811 . 1 1 77 77 TYR HA H 1 5.97 0.02 . 1 . . . . 77 TYR HA . 6840 1 812 . 1 1 77 77 TYR HB2 H 1 2.79 0.02 . 1 . . . . 77 TYR HB2 . 6840 1 813 . 1 1 77 77 TYR HB3 H 1 2.26 0.02 . 1 . . . . 77 TYR HB3 . 6840 1 814 . 1 1 77 77 TYR HD1 H 1 7.32 0.02 . 1 . . . . 77 TYR HD1 . 6840 1 815 . 1 1 77 77 TYR HD2 H 1 7.32 0.02 . 1 . . . . 77 TYR HD2 . 6840 1 816 . 1 1 77 77 TYR HE1 H 1 7.32 0.02 . 1 . . . . 77 TYR HE1 . 6840 1 817 . 1 1 77 77 TYR HE2 H 1 7.32 0.02 . 1 . . . . 77 TYR HE2 . 6840 1 818 . 1 1 77 77 TYR HH H 1 9.05 0.02 . 1 . . . . 77 TYR HH . 6840 1 819 . 1 1 77 77 TYR C C 13 173.8 0.2 . 1 . . . . 77 TYR C . 6840 1 820 . 1 1 77 77 TYR CA C 13 55.0 0.2 . 1 . . . . 77 TYR CA . 6840 1 821 . 1 1 77 77 TYR CB C 13 36.5 0.2 . 1 . . . . 77 TYR CB . 6840 1 822 . 1 1 77 77 TYR N N 15 120.6 0.2 . 1 . . . . 77 TYR N . 6840 1 823 . 1 1 78 78 GLU H H 1 8.64 0.02 . 1 . . . . 78 GLU HN . 6840 1 824 . 1 1 78 78 GLU HA H 1 5.04 0.02 . 1 . . . . 78 GLU HA . 6840 1 825 . 1 1 78 78 GLU HB2 H 1 1.84 0.02 . 1 . . . . 78 GLU HB2 . 6840 1 826 . 1 1 78 78 GLU HB3 H 1 1.90 0.02 . 1 . . . . 78 GLU HB3 . 6840 1 827 . 1 1 78 78 GLU HG2 H 1 2.18 0.02 . 1 . . . . 78 GLU HG2 . 6840 1 828 . 1 1 78 78 GLU HG3 H 1 2.18 0.02 . 1 . . . . 78 GLU HG3 . 6840 1 829 . 1 1 78 78 GLU C C 13 175.6 0.2 . 1 . . . . 78 GLU C . 6840 1 830 . 1 1 78 78 GLU CA C 13 55.6 0.2 . 1 . . . . 78 GLU CA . 6840 1 831 . 1 1 78 78 GLU CB C 13 32.5 0.2 . 1 . . . . 78 GLU CB . 6840 1 832 . 1 1 78 78 GLU N N 15 119.0 0.2 . 1 . . . . 78 GLU N . 6840 1 833 . 1 1 79 79 PHE H H 1 9.53 0.02 . 1 . . . . 79 PHE HN . 6840 1 834 . 1 1 79 79 PHE HA H 1 4.66 0.02 . 1 . . . . 79 PHE HA . 6840 1 835 . 1 1 79 79 PHE HB2 H 1 3.34 0.02 . 1 . . . . 79 PHE HB2 . 6840 1 836 . 1 1 79 79 PHE HB3 H 1 2.62 0.02 . 1 . . . . 79 PHE HB3 . 6840 1 837 . 1 1 79 79 PHE HD1 H 1 7.32 0.02 . 1 . . . . 79 PHE HD1 . 6840 1 838 . 1 1 79 79 PHE HD2 H 1 7.32 0.02 . 1 . . . . 79 PHE HD2 . 6840 1 839 . 1 1 79 79 PHE HE1 H 1 6.81 0.02 . 1 . . . . 79 PHE HE1 . 6840 1 840 . 1 1 79 79 PHE HE2 H 1 6.81 0.02 . 1 . . . . 79 PHE HE2 . 6840 1 841 . 1 1 79 79 PHE HZ H 1 6.54 0.02 . 1 . . . . 79 PHE HZ . 6840 1 842 . 1 1 79 79 PHE C C 13 174.9 0.2 . 1 . . . . 79 PHE C . 6840 1 843 . 1 1 79 79 PHE CA C 13 58.1 0.2 . 1 . . . . 79 PHE CA . 6840 1 844 . 1 1 79 79 PHE CB C 13 38.8 0.2 . 1 . . . . 79 PHE CB . 6840 1 845 . 1 1 79 79 PHE N N 15 125.4 0.2 . 1 . . . . 79 PHE N . 6840 1 846 . 1 1 80 80 LEU H H 1 8.70 0.02 . 1 . . . . 80 LEU HN . 6840 1 847 . 1 1 80 80 LEU HA H 1 4.17 0.02 . 1 . . . . 80 LEU HA . 6840 1 848 . 1 1 80 80 LEU HB2 H 1 1.48 0.02 . 1 . . . . 80 LEU HB2 . 6840 1 849 . 1 1 80 80 LEU HB3 H 1 1.55 0.02 . 1 . . . . 80 LEU HB3 . 6840 1 850 . 1 1 80 80 LEU HG H 1 1.50 0.02 . 1 . . . . 80 LEU HG . 6840 1 851 . 1 1 80 80 LEU HD11 H 1 0.79 0.02 . 1 . . . . 80 LEU QD1 . 6840 1 852 . 1 1 80 80 LEU HD12 H 1 0.79 0.02 . 1 . . . . 80 LEU QD1 . 6840 1 853 . 1 1 80 80 LEU HD13 H 1 0.79 0.02 . 1 . . . . 80 LEU QD1 . 6840 1 854 . 1 1 80 80 LEU HD21 H 1 0.74 0.02 . 1 . . . . 80 LEU QD2 . 6840 1 855 . 1 1 80 80 LEU HD22 H 1 0.74 0.02 . 1 . . . . 80 LEU QD2 . 6840 1 856 . 1 1 80 80 LEU HD23 H 1 0.74 0.02 . 1 . . . . 80 LEU QD2 . 6840 1 857 . 1 1 80 80 LEU C C 13 178.2 0.2 . 1 . . . . 80 LEU C . 6840 1 858 . 1 1 80 80 LEU CA C 13 56.3 0.2 . 1 . . . . 80 LEU CA . 6840 1 859 . 1 1 80 80 LEU CB C 13 42.8 0.2 . 1 . . . . 80 LEU CB . 6840 1 860 . 1 1 80 80 LEU N N 15 127.8 0.2 . 1 . . . . 80 LEU N . 6840 1 861 . 1 1 81 81 SER H H 1 7.82 0.02 . 1 . . . . 81 SER HN . 6840 1 862 . 1 1 81 81 SER HA H 1 4.54 0.02 . 1 . . . . 81 SER HA . 6840 1 863 . 1 1 81 81 SER HB2 H 1 3.67 0.02 . 1 . . . . 81 SER HB2 . 6840 1 864 . 1 1 81 81 SER HB3 H 1 3.72 0.02 . 1 . . . . 81 SER HB3 . 6840 1 865 . 1 1 81 81 SER C C 13 172.7 0.2 . 1 . . . . 81 SER C . 6840 1 866 . 1 1 81 81 SER CA C 13 58.3 0.2 . 1 . . . . 81 SER CA . 6840 1 867 . 1 1 81 81 SER CB C 13 65.0 0.2 . 1 . . . . 81 SER CB . 6840 1 868 . 1 1 81 81 SER N N 15 109.8 0.2 . 1 . . . . 81 SER N . 6840 1 869 . 1 1 82 82 LEU H H 1 8.41 0.02 . 1 . . . . 82 LEU HN . 6840 1 870 . 1 1 82 82 LEU HA H 1 4.96 0.02 . 1 . . . . 82 LEU HA . 6840 1 871 . 1 1 82 82 LEU HB2 H 1 1.56 0.02 . 1 . . . . 82 LEU HB2 . 6840 1 872 . 1 1 82 82 LEU HB3 H 1 1.63 0.02 . 1 . . . . 82 LEU HB3 . 6840 1 873 . 1 1 82 82 LEU HG H 1 1.38 0.02 . 1 . . . . 82 LEU HG . 6840 1 874 . 1 1 82 82 LEU HD11 H 1 0.70 0.02 . 1 . . . . 82 LEU QD1 . 6840 1 875 . 1 1 82 82 LEU HD12 H 1 0.70 0.02 . 1 . . . . 82 LEU QD1 . 6840 1 876 . 1 1 82 82 LEU HD13 H 1 0.70 0.02 . 1 . . . . 82 LEU QD1 . 6840 1 877 . 1 1 82 82 LEU HD21 H 1 0.72 0.02 . 1 . . . . 82 LEU QD2 . 6840 1 878 . 1 1 82 82 LEU HD22 H 1 0.72 0.02 . 1 . . . . 82 LEU QD2 . 6840 1 879 . 1 1 82 82 LEU HD23 H 1 0.72 0.02 . 1 . . . . 82 LEU QD2 . 6840 1 880 . 1 1 82 82 LEU C C 13 174.8 0.2 . 1 . . . . 82 LEU C . 6840 1 881 . 1 1 82 82 LEU CA C 13 54.8 0.2 . 1 . . . . 82 LEU CA . 6840 1 882 . 1 1 82 82 LEU CB C 13 43.1 0.2 . 1 . . . . 82 LEU CB . 6840 1 883 . 1 1 82 82 LEU N N 15 129.5 0.2 . 1 . . . . 82 LEU N . 6840 1 884 . 1 1 83 83 ARG H H 1 8.36 0.02 . 1 . . . . 83 ARG HN . 6840 1 885 . 1 1 83 83 ARG HA H 1 4.97 0.02 . 1 . . . . 83 ARG HA . 6840 1 886 . 1 1 83 83 ARG HB2 H 1 1.63 0.02 . 2 . . . . 83 ARG HB2 . 6840 1 887 . 1 1 83 83 ARG HB3 H 1 1.81 0.02 . 2 . . . . 83 ARG HB3 . 6840 1 888 . 1 1 83 83 ARG HG2 H 1 1.40 0.02 . 2 . . . . 83 ARG HG2 . 6840 1 889 . 1 1 83 83 ARG HG3 H 1 1.56 0.02 . 2 . . . . 83 ARG HG3 . 6840 1 890 . 1 1 83 83 ARG HD2 H 1 3.10 0.02 . 1 . . . . 83 ARG HD2 . 6840 1 891 . 1 1 83 83 ARG HD3 H 1 3.17 0.02 . 1 . . . . 83 ARG HD3 . 6840 1 892 . 1 1 83 83 ARG C C 13 175.4 0.2 . 1 . . . . 83 ARG C . 6840 1 893 . 1 1 83 83 ARG CA C 13 54.5 0.2 . 1 . . . . 83 ARG CA . 6840 1 894 . 1 1 83 83 ARG CB C 13 34.4 0.2 . 1 . . . . 83 ARG CB . 6840 1 895 . 1 1 83 83 ARG N N 15 119.8 0.2 . 1 . . . . 83 ARG N . 6840 1 896 . 1 1 84 84 SER H H 1 9.88 0.02 . 1 . . . . 84 SER HN . 6840 1 897 . 1 1 84 84 SER HA H 1 4.71 0.02 . 1 . . . . 84 SER HA . 6840 1 898 . 1 1 84 84 SER HB2 H 1 3.73 0.02 . 1 . . . . 84 SER QB . 6840 1 899 . 1 1 84 84 SER HB3 H 1 3.73 0.02 . 1 . . . . 84 SER QB . 6840 1 900 . 1 1 84 84 SER C C 13 175.4 0.2 . 1 . . . . 84 SER C . 6840 1 901 . 1 1 84 84 SER CA C 13 56.3 0.2 . 1 . . . . 84 SER CA . 6840 1 902 . 1 1 84 84 SER CB C 13 63.5 0.2 . 1 . . . . 84 SER CB . 6840 1 903 . 1 1 84 84 SER N N 15 119.8 0.2 . 1 . . . . 84 SER N . 6840 1 904 . 1 1 85 85 LEU H H 1 9.50 0.02 . 1 . . . . 85 LEU HN . 6840 1 905 . 1 1 85 85 LEU HA H 1 4.42 0.02 . 1 . . . . 85 LEU HA . 6840 1 906 . 1 1 85 85 LEU HB2 H 1 1.57 0.02 . 1 . . . . 85 LEU HB2 . 6840 1 907 . 1 1 85 85 LEU HB3 H 1 1.72 0.02 . 1 . . . . 85 LEU HB3 . 6840 1 908 . 1 1 85 85 LEU HG H 1 1.47 0.02 . 1 . . . . 85 LEU HG . 6840 1 909 . 1 1 85 85 LEU HD11 H 1 0.75 0.02 . 1 . . . . 85 LEU QD1 . 6840 1 910 . 1 1 85 85 LEU HD12 H 1 0.75 0.02 . 1 . . . . 85 LEU QD1 . 6840 1 911 . 1 1 85 85 LEU HD13 H 1 0.75 0.02 . 1 . . . . 85 LEU QD1 . 6840 1 912 . 1 1 85 85 LEU HD21 H 1 0.74 0.02 . 1 . . . . 85 LEU QD2 . 6840 1 913 . 1 1 85 85 LEU HD22 H 1 0.74 0.02 . 1 . . . . 85 LEU QD2 . 6840 1 914 . 1 1 85 85 LEU HD23 H 1 0.74 0.02 . 1 . . . . 85 LEU QD2 . 6840 1 915 . 1 1 85 85 LEU C C 13 176.0 0.2 . 1 . . . . 85 LEU C . 6840 1 916 . 1 1 85 85 LEU CA C 13 55.4 0.2 . 1 . . . . 85 LEU CA . 6840 1 917 . 1 1 85 85 LEU CB C 13 40.3 0.2 . 1 . . . . 85 LEU CB . 6840 1 918 . 1 1 85 85 LEU N N 15 128.0 0.2 . 1 . . . . 85 LEU N . 6840 1 919 . 1 1 86 86 ASP H H 1 8.05 0.02 . 1 . . . . 86 ASP HN . 6840 1 920 . 1 1 86 86 ASP HA H 1 5.07 0.02 . 1 . . . . 86 ASP HA . 6840 1 921 . 1 1 86 86 ASP HB2 H 1 2.69 0.02 . 1 . . . . 86 ASP HB2 . 6840 1 922 . 1 1 86 86 ASP HB3 H 1 2.45 0.02 . 1 . . . . 86 ASP HB3 . 6840 1 923 . 1 1 86 86 ASP C C 13 176.6 0.2 . 1 . . . . 86 ASP C . 6840 1 924 . 1 1 86 86 ASP CA C 13 53.5 0.2 . 1 . . . . 86 ASP CA . 6840 1 925 . 1 1 86 86 ASP CB C 13 43.3 0.2 . 1 . . . . 86 ASP CB . 6840 1 926 . 1 1 86 86 ASP N N 15 121.5 0.2 . 1 . . . . 86 ASP N . 6840 1 927 . 1 1 87 87 LYS H H 1 8.77 0.02 . 1 . . . . 87 LYS HN . 6840 1 928 . 1 1 87 87 LYS HA H 1 4.25 0.02 . 1 . . . . 87 LYS HA . 6840 1 929 . 1 1 87 87 LYS HB2 H 1 1.68 0.02 . 1 . . . . 87 LYS HB2 . 6840 1 930 . 1 1 87 87 LYS HB3 H 1 1.86 0.02 . 1 . . . . 87 LYS HB3 . 6840 1 931 . 1 1 87 87 LYS HG2 H 1 1.41 0.02 . 2 . . . . 87 LYS HG2 . 6840 1 932 . 1 1 87 87 LYS HG3 H 1 1.55 0.02 . 2 . . . . 87 LYS HG3 . 6840 1 933 . 1 1 87 87 LYS C C 13 176.2 0.2 . 1 . . . . 87 LYS C . 6840 1 934 . 1 1 87 87 LYS CA C 13 58.3 0.2 . 1 . . . . 87 LYS CA . 6840 1 935 . 1 1 87 87 LYS CB C 13 32.0 0.2 . 1 . . . . 87 LYS CB . 6840 1 936 . 1 1 87 87 LYS N N 15 123.4 0.2 . 1 . . . . 87 LYS N . 6840 1 937 . 1 1 88 88 GLY H H 1 8.68 0.02 . 1 . . . . 88 GLY HN . 6840 1 938 . 1 1 88 88 GLY HA2 H 1 3.59 0.02 . 2 . . . . 88 GLY HA1 . 6840 1 939 . 1 1 88 88 GLY HA3 H 1 3.99 0.02 . 2 . . . . 88 GLY HA2 . 6840 1 940 . 1 1 88 88 GLY C C 13 174.4 0.2 . 1 . . . . 88 GLY C . 6840 1 941 . 1 1 88 88 GLY CA C 13 45.0 0.2 . 1 . . . . 88 GLY CA . 6840 1 942 . 1 1 88 88 GLY N N 15 104.8 0.2 . 1 . . . . 88 GLY N . 6840 1 943 . 1 1 89 89 ILE H H 1 7.52 0.02 . 1 . . . . 89 ILE HN . 6840 1 944 . 1 1 89 89 ILE HA H 1 3.93 0.02 . 1 . . . . 89 ILE HA . 6840 1 945 . 1 1 89 89 ILE HB H 1 1.71 0.02 . 1 . . . . 89 ILE HB . 6840 1 946 . 1 1 89 89 ILE HG12 H 1 1.43 0.02 . 1 . . . . 89 ILE HG12 . 6840 1 947 . 1 1 89 89 ILE HG13 H 1 1.43 0.02 . 1 . . . . 89 ILE HG13 . 6840 1 948 . 1 1 89 89 ILE HG21 H 1 0.70 0.02 . 1 . . . . 89 ILE QG2 . 6840 1 949 . 1 1 89 89 ILE HG22 H 1 0.70 0.02 . 1 . . . . 89 ILE QG2 . 6840 1 950 . 1 1 89 89 ILE HG23 H 1 0.70 0.02 . 1 . . . . 89 ILE QG2 . 6840 1 951 . 1 1 89 89 ILE HD11 H 1 0.64 0.02 . 1 . . . . 89 ILE QD1 . 6840 1 952 . 1 1 89 89 ILE HD12 H 1 0.64 0.02 . 1 . . . . 89 ILE QD1 . 6840 1 953 . 1 1 89 89 ILE HD13 H 1 0.64 0.02 . 1 . . . . 89 ILE QD1 . 6840 1 954 . 1 1 89 89 ILE C C 13 175.2 0.2 . 1 . . . . 89 ILE C . 6840 1 955 . 1 1 89 89 ILE CA C 13 62.3 0.2 . 1 . . . . 89 ILE CA . 6840 1 956 . 1 1 89 89 ILE CB C 13 39.0 0.2 . 1 . . . . 89 ILE CB . 6840 1 957 . 1 1 89 89 ILE N N 15 118.6 0.2 . 1 . . . . 89 ILE N . 6840 1 958 . 1 1 90 90 MET H H 1 8.13 0.02 . 1 . . . . 90 MET HN . 6840 1 959 . 1 1 90 90 MET HA H 1 4.63 0.02 . 1 . . . . 90 MET HA . 6840 1 960 . 1 1 90 90 MET HB2 H 1 1.78 0.02 . 1 . . . . 90 MET HB2 . 6840 1 961 . 1 1 90 90 MET HB3 H 1 1.83 0.02 . 1 . . . . 90 MET HB3 . 6840 1 962 . 1 1 90 90 MET HG2 H 1 2.57 0.02 . 1 . . . . 90 MET HG2 . 6840 1 963 . 1 1 90 90 MET HG3 H 1 2.57 0.02 . 1 . . . . 90 MET HG3 . 6840 1 964 . 1 1 90 90 MET C C 13 173.7 0.2 . 1 . . . . 90 MET C . 6840 1 965 . 1 1 90 90 MET CA C 13 54.7 0.2 . 1 . . . . 90 MET CA . 6840 1 966 . 1 1 90 90 MET CB C 13 29.7 0.2 . 1 . . . . 90 MET CB . 6840 1 967 . 1 1 90 90 MET N N 15 121.3 0.2 . 1 . . . . 90 MET N . 6840 1 968 . 1 1 91 91 ALA H H 1 7.55 0.02 . 1 . . . . 91 ALA HN . 6840 1 969 . 1 1 91 91 ALA HA H 1 4.50 0.02 . 1 . . . . 91 ALA HA . 6840 1 970 . 1 1 91 91 ALA HB1 H 1 1.50 0.02 . 1 . . . . 91 ALA QB . 6840 1 971 . 1 1 91 91 ALA HB2 H 1 1.50 0.02 . 1 . . . . 91 ALA QB . 6840 1 972 . 1 1 91 91 ALA HB3 H 1 1.50 0.02 . 1 . . . . 91 ALA QB . 6840 1 973 . 1 1 91 91 ALA C C 13 173.9 0.2 . 1 . . . . 91 ALA C . 6840 1 974 . 1 1 91 91 ALA CA C 13 51.4 0.2 . 1 . . . . 91 ALA CA . 6840 1 975 . 1 1 91 91 ALA CB C 13 19.0 0.2 . 1 . . . . 91 ALA CB . 6840 1 976 . 1 1 91 91 ALA N N 15 128.0 0.2 . 1 . . . . 91 ALA N . 6840 1 977 . 1 1 92 92 ASP H H 1 7.77 0.02 . 1 . . . . 92 ASP HN . 6840 1 978 . 1 1 92 92 ASP HA H 1 4.31 0.02 . 1 . . . . 92 ASP HA . 6840 1 979 . 1 1 92 92 ASP HB2 H 1 2.30 0.02 . 1 . . . . 92 ASP HB2 . 6840 1 980 . 1 1 92 92 ASP HB3 H 1 2.71 0.02 . 1 . . . . 92 ASP HB3 . 6840 1 981 . 1 1 92 92 ASP CA C 13 54.0 0.2 . 1 . . . . 92 ASP CA . 6840 1 982 . 1 1 92 92 ASP CB C 13 39.3 0.2 . 1 . . . . 92 ASP CB . 6840 1 983 . 1 1 92 92 ASP N N 15 115.1 0.2 . 1 . . . . 92 ASP N . 6840 1 984 . 1 1 93 93 PRO HA H 1 4.41 0.02 . 1 . . . . 93 PRO HA . 6840 1 985 . 1 1 93 93 PRO HB2 H 1 1.68 0.02 . 2 . . . . 93 PRO HB2 . 6840 1 986 . 1 1 93 93 PRO HB3 H 1 1.73 0.02 . 2 . . . . 93 PRO HB3 . 6840 1 987 . 1 1 93 93 PRO HG2 H 1 1.68 0.02 . 2 . . . . 93 PRO HG2 . 6840 1 988 . 1 1 93 93 PRO HG3 H 1 1.73 0.02 . 2 . . . . 93 PRO HG3 . 6840 1 989 . 1 1 93 93 PRO HD2 H 1 3.21 0.02 . 1 . . . . 93 PRO HD2 . 6840 1 990 . 1 1 93 93 PRO HD3 H 1 3.32 0.02 . 1 . . . . 93 PRO HD3 . 6840 1 991 . 1 1 93 93 PRO C C 13 174.0 0.2 . 1 . . . . 93 PRO C . 6840 1 992 . 1 1 93 93 PRO CA C 13 62.1 0.2 . 1 . . . . 93 PRO CA . 6840 1 993 . 1 1 93 93 PRO CB C 13 31.1 0.2 . 1 . . . . 93 PRO CB . 6840 1 994 . 1 1 94 94 THR H H 1 7.66 0.02 . 1 . . . . 94 THR HN . 6840 1 995 . 1 1 94 94 THR HA H 1 4.48 0.02 . 1 . . . . 94 THR HA . 6840 1 996 . 1 1 94 94 THR HB H 1 4.06 0.02 . 1 . . . . 94 THR HB . 6840 1 997 . 1 1 94 94 THR HG21 H 1 0.99 0.02 . 1 . . . . 94 THR QG2 . 6840 1 998 . 1 1 94 94 THR HG22 H 1 0.99 0.02 . 1 . . . . 94 THR QG2 . 6840 1 999 . 1 1 94 94 THR HG23 H 1 0.99 0.02 . 1 . . . . 94 THR QG2 . 6840 1 1000 . 1 1 94 94 THR C C 13 173.9 0.2 . 1 . . . . 94 THR C . 6840 1 1001 . 1 1 94 94 THR CA C 13 58.6 0.2 . 1 . . . . 94 THR CA . 6840 1 1002 . 1 1 94 94 THR CB C 13 72.3 0.2 . 1 . . . . 94 THR CB . 6840 1 1003 . 1 1 94 94 THR N N 15 107.4 0.2 . 1 . . . . 94 THR N . 6840 1 1004 . 1 1 95 95 VAL H H 1 8.20 0.02 . 1 . . . . 95 VAL HN . 6840 1 1005 . 1 1 95 95 VAL HA H 1 5.18 0.02 . 1 . . . . 95 VAL HA . 6840 1 1006 . 1 1 95 95 VAL HB H 1 1.48 0.02 . 1 . . . . 95 VAL HB . 6840 1 1007 . 1 1 95 95 VAL HG11 H 1 0.28 0.02 . 1 . . . . 95 VAL QG1 . 6840 1 1008 . 1 1 95 95 VAL HG12 H 1 0.28 0.02 . 1 . . . . 95 VAL QG1 . 6840 1 1009 . 1 1 95 95 VAL HG13 H 1 0.28 0.02 . 1 . . . . 95 VAL QG1 . 6840 1 1010 . 1 1 95 95 VAL HG21 H 1 0.28 0.02 . 1 . . . . 95 VAL QG2 . 6840 1 1011 . 1 1 95 95 VAL HG22 H 1 0.28 0.02 . 1 . . . . 95 VAL QG2 . 6840 1 1012 . 1 1 95 95 VAL HG23 H 1 0.28 0.02 . 1 . . . . 95 VAL QG2 . 6840 1 1013 . 1 1 95 95 VAL C C 13 175.3 0.2 . 1 . . . . 95 VAL C . 6840 1 1014 . 1 1 95 95 VAL CA C 13 59.3 0.2 . 1 . . . . 95 VAL CA . 6840 1 1015 . 1 1 95 95 VAL CB C 13 36.2 0.2 . 1 . . . . 95 VAL CB . 6840 1 1016 . 1 1 95 95 VAL N N 15 111.1 0.2 . 1 . . . . 95 VAL N . 6840 1 1017 . 1 1 96 96 ASN H H 1 7.93 0.02 . 1 . . . . 96 ASN HN . 6840 1 1018 . 1 1 96 96 ASN HA H 1 4.72 0.02 . 1 . . . . 96 ASN HA . 6840 1 1019 . 1 1 96 96 ASN HB2 H 1 2.47 0.02 . 1 . . . . 96 ASN HB2 . 6840 1 1020 . 1 1 96 96 ASN HB3 H 1 3.11 0.02 . 1 . . . . 96 ASN HB3 . 6840 1 1021 . 1 1 96 96 ASN HD21 H 1 7.64 0.02 . 1 . . . . 96 ASN HD21 . 6840 1 1022 . 1 1 96 96 ASN HD22 H 1 6.72 0.02 . 1 . . . . 96 ASN HD22 . 6840 1 1023 . 1 1 96 96 ASN C C 13 174.6 0.2 . 1 . . . . 96 ASN C . 6840 1 1024 . 1 1 96 96 ASN CA C 13 52.7 0.2 . 1 . . . . 96 ASN CA . 6840 1 1025 . 1 1 96 96 ASN CB C 13 37.5 0.2 . 1 . . . . 96 ASN CB . 6840 1 1026 . 1 1 96 96 ASN N N 15 119.8 0.2 . 1 . . . . 96 ASN N . 6840 1 1027 . 1 1 96 96 ASN ND2 N 15 112.4 0.2 . 1 . . . . 96 ASN ND2 . 6840 1 1028 . 1 1 97 97 VAL H H 1 6.66 0.02 . 1 . . . . 97 VAL HN . 6840 1 1029 . 1 1 97 97 VAL HA H 1 4.78 0.02 . 1 . . . . 97 VAL HA . 6840 1 1030 . 1 1 97 97 VAL HB H 1 2.46 0.02 . 1 . . . . 97 VAL HB . 6840 1 1031 . 1 1 97 97 VAL HG11 H 1 1.02 0.02 . 1 . . . . 97 VAL QG1 . 6840 1 1032 . 1 1 97 97 VAL HG12 H 1 1.02 0.02 . 1 . . . . 97 VAL QG1 . 6840 1 1033 . 1 1 97 97 VAL HG13 H 1 1.02 0.02 . 1 . . . . 97 VAL QG1 . 6840 1 1034 . 1 1 97 97 VAL HG21 H 1 0.69 0.02 . 1 . . . . 97 VAL QG2 . 6840 1 1035 . 1 1 97 97 VAL HG22 H 1 0.69 0.02 . 1 . . . . 97 VAL QG2 . 6840 1 1036 . 1 1 97 97 VAL HG23 H 1 0.69 0.02 . 1 . . . . 97 VAL QG2 . 6840 1 1037 . 1 1 97 97 VAL CA C 13 57.9 0.2 . 1 . . . . 97 VAL CA . 6840 1 1038 . 1 1 97 97 VAL CB C 13 32.7 0.2 . 1 . . . . 97 VAL CB . 6840 1 1039 . 1 1 97 97 VAL N N 15 110.9 0.2 . 1 . . . . 97 VAL N . 6840 1 1040 . 1 1 98 98 PRO HA H 1 4.45 0.02 . 1 . . . . 98 PRO HA . 6840 1 1041 . 1 1 98 98 PRO HB2 H 1 2.10 0.02 . 1 . . . . 98 PRO HB2 . 6840 1 1042 . 1 1 98 98 PRO HB3 H 1 2.49 0.02 . 1 . . . . 98 PRO HB3 . 6840 1 1043 . 1 1 98 98 PRO HG2 H 1 2.07 0.02 . 2 . . . . 98 PRO HG2 . 6840 1 1044 . 1 1 98 98 PRO HG3 H 1 2.23 0.02 . 2 . . . . 98 PRO HG3 . 6840 1 1045 . 1 1 98 98 PRO HD2 H 1 3.69 0.02 . 1 . . . . 98 PRO HD2 . 6840 1 1046 . 1 1 98 98 PRO HD3 H 1 3.86 0.02 . 1 . . . . 98 PRO HD3 . 6840 1 1047 . 1 1 98 98 PRO C C 13 177.4 0.2 . 1 . . . . 98 PRO C . 6840 1 1048 . 1 1 98 98 PRO CA C 13 62.3 0.2 . 1 . . . . 98 PRO CA . 6840 1 1049 . 1 1 98 98 PRO CB C 13 31.8 0.2 . 1 . . . . 98 PRO CB . 6840 1 1050 . 1 1 99 99 LEU H H 1 8.68 0.02 . 1 . . . . 99 LEU HN . 6840 1 1051 . 1 1 99 99 LEU HA H 1 4.24 0.02 . 1 . . . . 99 LEU HA . 6840 1 1052 . 1 1 99 99 LEU HB2 H 1 1.85 0.02 . 1 . . . . 99 LEU HB2 . 6840 1 1053 . 1 1 99 99 LEU HB3 H 1 1.90 0.02 . 1 . . . . 99 LEU HB3 . 6840 1 1054 . 1 1 99 99 LEU HG H 1 1.84 0.02 . 1 . . . . 99 LEU HG . 6840 1 1055 . 1 1 99 99 LEU HD11 H 1 0.74 0.02 . 1 . . . . 99 LEU QD1 . 6840 1 1056 . 1 1 99 99 LEU HD12 H 1 0.74 0.02 . 1 . . . . 99 LEU QD1 . 6840 1 1057 . 1 1 99 99 LEU HD13 H 1 0.74 0.02 . 1 . . . . 99 LEU QD1 . 6840 1 1058 . 1 1 99 99 LEU HD21 H 1 1.00 0.02 . 1 . . . . 99 LEU QD2 . 6840 1 1059 . 1 1 99 99 LEU HD22 H 1 1.00 0.02 . 1 . . . . 99 LEU QD2 . 6840 1 1060 . 1 1 99 99 LEU HD23 H 1 1.00 0.02 . 1 . . . . 99 LEU QD2 . 6840 1 1061 . 1 1 99 99 LEU C C 13 174.7 0.2 . 1 . . . . 99 LEU C . 6840 1 1062 . 1 1 99 99 LEU CA C 13 57.6 0.2 . 1 . . . . 99 LEU CA . 6840 1 1063 . 1 1 99 99 LEU CB C 13 42.8 0.2 . 1 . . . . 99 LEU CB . 6840 1 1064 . 1 1 99 99 LEU N N 15 120.7 0.2 . 1 . . . . 99 LEU N . 6840 1 1065 . 1 1 100 100 LEU H H 1 7.21 0.02 . 1 . . . . 100 LEU HN . 6840 1 1066 . 1 1 100 100 LEU HA H 1 4.73 0.02 . 1 . . . . 100 LEU HA . 6840 1 1067 . 1 1 100 100 LEU HB2 H 1 1.56 0.02 . 1 . . . . 100 LEU HB2 . 6840 1 1068 . 1 1 100 100 LEU HB3 H 1 1.56 0.02 . 1 . . . . 100 LEU HB3 . 6840 1 1069 . 1 1 100 100 LEU HG H 1 1.53 0.02 . 1 . . . . 100 LEU HG . 6840 1 1070 . 1 1 100 100 LEU HD11 H 1 0.28 0.02 . 1 . . . . 100 LEU QD1 . 6840 1 1071 . 1 1 100 100 LEU HD12 H 1 0.28 0.02 . 1 . . . . 100 LEU QD1 . 6840 1 1072 . 1 1 100 100 LEU HD13 H 1 0.28 0.02 . 1 . . . . 100 LEU QD1 . 6840 1 1073 . 1 1 100 100 LEU HD21 H 1 0.80 0.02 . 1 . . . . 100 LEU QD2 . 6840 1 1074 . 1 1 100 100 LEU HD22 H 1 0.80 0.02 . 1 . . . . 100 LEU QD2 . 6840 1 1075 . 1 1 100 100 LEU HD23 H 1 0.80 0.02 . 1 . . . . 100 LEU QD2 . 6840 1 1076 . 1 1 100 100 LEU C C 13 175.6 0.2 . 1 . . . . 100 LEU C . 6840 1 1077 . 1 1 100 100 LEU CA C 13 54.1 0.2 . 1 . . . . 100 LEU CA . 6840 1 1078 . 1 1 100 100 LEU CB C 13 44.9 0.2 . 1 . . . . 100 LEU CB . 6840 1 1079 . 1 1 100 100 LEU N N 15 115.5 0.2 . 1 . . . . 100 LEU N . 6840 1 1080 . 1 1 101 101 GLY H H 1 6.81 0.02 . 1 . . . . 101 GLY HN . 6840 1 1081 . 1 1 101 101 GLY HA2 H 1 3.81 0.02 . 2 . . . . 101 GLY HA1 . 6840 1 1082 . 1 1 101 101 GLY HA3 H 1 3.91 0.02 . 2 . . . . 101 GLY HA2 . 6840 1 1083 . 1 1 101 101 GLY C C 13 171.4 0.2 . 1 . . . . 101 GLY C . 6840 1 1084 . 1 1 101 101 GLY CA C 13 46.1 0.2 . 1 . . . . 101 GLY CA . 6840 1 1085 . 1 1 101 101 GLY N N 15 106.8 0.2 . 1 . . . . 101 GLY N . 6840 1 1086 . 1 1 102 102 THR H H 1 8.09 0.02 . 1 . . . . 102 THR HN . 6840 1 1087 . 1 1 102 102 THR HA H 1 5.07 0.02 . 1 . . . . 102 THR HA . 6840 1 1088 . 1 1 102 102 THR HB H 1 3.91 0.02 . 1 . . . . 102 THR HB . 6840 1 1089 . 1 1 102 102 THR HG21 H 1 0.77 0.02 . 1 . . . . 102 THR QG2 . 6840 1 1090 . 1 1 102 102 THR HG22 H 1 0.77 0.02 . 1 . . . . 102 THR QG2 . 6840 1 1091 . 1 1 102 102 THR HG23 H 1 0.77 0.02 . 1 . . . . 102 THR QG2 . 6840 1 1092 . 1 1 102 102 THR C C 13 174.5 0.2 . 1 . . . . 102 THR C . 6840 1 1093 . 1 1 102 102 THR CA C 13 59.1 0.2 . 1 . . . . 102 THR CA . 6840 1 1094 . 1 1 102 102 THR CB C 13 71.0 0.2 . 1 . . . . 102 THR CB . 6840 1 1095 . 1 1 102 102 THR N N 15 112.5 0.2 . 1 . . . . 102 THR N . 6840 1 1096 . 1 1 103 103 VAL H H 1 8.17 0.02 . 1 . . . . 103 VAL HN . 6840 1 1097 . 1 1 103 103 VAL HA H 1 3.25 0.02 . 1 . . . . 103 VAL HA . 6840 1 1098 . 1 1 103 103 VAL HB H 1 1.41 0.02 . 1 . . . . 103 VAL HB . 6840 1 1099 . 1 1 103 103 VAL HG11 H 1 -0.05 0.02 . 1 . . . . 103 VAL QG1 . 6840 1 1100 . 1 1 103 103 VAL HG12 H 1 -0.05 0.02 . 1 . . . . 103 VAL QG1 . 6840 1 1101 . 1 1 103 103 VAL HG13 H 1 -0.05 0.02 . 1 . . . . 103 VAL QG1 . 6840 1 1102 . 1 1 103 103 VAL HG21 H 1 -0.05 0.02 . 1 . . . . 103 VAL QG2 . 6840 1 1103 . 1 1 103 103 VAL HG22 H 1 -0.05 0.02 . 1 . . . . 103 VAL QG2 . 6840 1 1104 . 1 1 103 103 VAL HG23 H 1 -0.05 0.02 . 1 . . . . 103 VAL QG2 . 6840 1 1105 . 1 1 103 103 VAL CA C 13 60.5 0.2 . 1 . . . . 103 VAL CA . 6840 1 1106 . 1 1 103 103 VAL CB C 13 31.8 0.2 . 1 . . . . 103 VAL CB . 6840 1 1107 . 1 1 103 103 VAL N N 15 125.6 0.2 . 1 . . . . 103 VAL N . 6840 1 1108 . 1 1 104 104 PRO HA H 1 4.34 0.02 . 1 . . . . 104 PRO HA . 6840 1 1109 . 1 1 104 104 PRO HB2 H 1 2.36 0.02 . 1 . . . . 104 PRO HB2 . 6840 1 1110 . 1 1 104 104 PRO HB3 H 1 2.36 0.02 . 1 . . . . 104 PRO HB3 . 6840 1 1111 . 1 1 104 104 PRO HG2 H 1 2.15 0.02 . 1 . . . . 104 PRO HG2 . 6840 1 1112 . 1 1 104 104 PRO HG3 H 1 2.15 0.02 . 1 . . . . 104 PRO HG3 . 6840 1 1113 . 1 1 104 104 PRO HD2 H 1 2.76 0.02 . 1 . . . . 104 PRO HD2 . 6840 1 1114 . 1 1 104 104 PRO HD3 H 1 3.65 0.02 . 1 . . . . 104 PRO HD3 . 6840 1 1115 . 1 1 104 104 PRO C C 13 176.1 0.2 . 1 . . . . 104 PRO C . 6840 1 1116 . 1 1 104 104 PRO CA C 13 62.9 0.2 . 1 . . . . 104 PRO CA . 6840 1 1117 . 1 1 104 104 PRO CB C 13 32.4 0.2 . 1 . . . . 104 PRO CB . 6840 1 1118 . 1 1 105 105 HIS H H 1 8.66 0.02 . 1 . . . . 105 HIS HN . 6840 1 1119 . 1 1 105 105 HIS HA H 1 5.34 0.02 . 1 . . . . 105 HIS HA . 6840 1 1120 . 1 1 105 105 HIS HB2 H 1 3.08 0.02 . 1 . . . . 105 HIS HB2 . 6840 1 1121 . 1 1 105 105 HIS HB3 H 1 3.59 0.02 . 1 . . . . 105 HIS HB3 . 6840 1 1122 . 1 1 105 105 HIS HD2 H 1 7.38 0.02 . 1 . . . . 105 HIS HD2 . 6840 1 1123 . 1 1 105 105 HIS HE1 H 1 8.38 0.02 . 1 . . . . 105 HIS HE1 . 6840 1 1124 . 1 1 105 105 HIS C C 13 174.9 0.2 . 1 . . . . 105 HIS C . 6840 1 1125 . 1 1 105 105 HIS CA C 13 55.9 0.2 . 1 . . . . 105 HIS CA . 6840 1 1126 . 1 1 105 105 HIS CB C 13 28.3 0.2 . 1 . . . . 105 HIS CB . 6840 1 1127 . 1 1 105 105 HIS N N 15 115.9 0.2 . 1 . . . . 105 HIS N . 6840 1 1128 . 1 1 106 106 LYS H H 1 7.43 0.02 . 1 . . . . 106 LYS HN . 6840 1 1129 . 1 1 106 106 LYS HA H 1 4.57 0.02 . 1 . . . . 106 LYS HA . 6840 1 1130 . 1 1 106 106 LYS HB2 H 1 1.73 0.02 . 2 . . . . 106 LYS HB2 . 6840 1 1131 . 1 1 106 106 LYS HB3 H 1 1.77 0.02 . 2 . . . . 106 LYS HB3 . 6840 1 1132 . 1 1 106 106 LYS HG2 H 1 1.37 0.02 . 2 . . . . 106 LYS HG2 . 6840 1 1133 . 1 1 106 106 LYS HG3 H 1 1.42 0.02 . 2 . . . . 106 LYS HG3 . 6840 1 1134 . 1 1 106 106 LYS HD2 H 1 1.59 0.02 . 1 . . . . 106 LYS HD2 . 6840 1 1135 . 1 1 106 106 LYS HD3 H 1 1.59 0.02 . 1 . . . . 106 LYS HD3 . 6840 1 1136 . 1 1 106 106 LYS HE2 H 1 3.03 0.02 . 1 . . . . 106 LYS HE2 . 6840 1 1137 . 1 1 106 106 LYS HE3 H 1 3.03 0.02 . 1 . . . . 106 LYS HE3 . 6840 1 1138 . 1 1 106 106 LYS C C 13 175.5 0.2 . 1 . . . . 106 LYS C . 6840 1 1139 . 1 1 106 106 LYS CA C 13 54.3 0.2 . 1 . . . . 106 LYS CA . 6840 1 1140 . 1 1 106 106 LYS CB C 13 33.8 0.2 . 1 . . . . 106 LYS CB . 6840 1 1141 . 1 1 106 106 LYS N N 15 120.1 0.2 . 1 . . . . 106 LYS N . 6840 1 1142 . 1 1 107 107 ALA H H 1 8.69 0.02 . 1 . . . . 107 ALA HN . 6840 1 1143 . 1 1 107 107 ALA HA H 1 4.34 0.02 . 1 . . . . 107 ALA HA . 6840 1 1144 . 1 1 107 107 ALA HB1 H 1 1.38 0.02 . 1 . . . . 107 ALA QB . 6840 1 1145 . 1 1 107 107 ALA HB2 H 1 1.38 0.02 . 1 . . . . 107 ALA QB . 6840 1 1146 . 1 1 107 107 ALA HB3 H 1 1.38 0.02 . 1 . . . . 107 ALA QB . 6840 1 1147 . 1 1 107 107 ALA C C 13 178.0 0.2 . 1 . . . . 107 ALA C . 6840 1 1148 . 1 1 107 107 ALA CA C 13 53.7 0.2 . 1 . . . . 107 ALA CA . 6840 1 1149 . 1 1 107 107 ALA CB C 13 17.8 0.2 . 1 . . . . 107 ALA CB . 6840 1 1150 . 1 1 107 107 ALA N N 15 127.0 0.2 . 1 . . . . 107 ALA N . 6840 1 1151 . 1 1 108 108 SER H H 1 8.60 0.02 . 1 . . . . 108 SER HN . 6840 1 1152 . 1 1 108 108 SER HA H 1 4.94 0.02 . 1 . . . . 108 SER HA . 6840 1 1153 . 1 1 108 108 SER HB2 H 1 3.79 0.02 . 1 . . . . 108 SER HB2 . 6840 1 1154 . 1 1 108 108 SER HB3 H 1 4.01 0.02 . 1 . . . . 108 SER HB3 . 6840 1 1155 . 1 1 108 108 SER C C 13 170.8 0.2 . 1 . . . . 108 SER C . 6840 1 1156 . 1 1 108 108 SER CA C 13 57.6 0.2 . 1 . . . . 108 SER CA . 6840 1 1157 . 1 1 108 108 SER CB C 13 67.0 0.2 . 1 . . . . 108 SER CB . 6840 1 1158 . 1 1 108 108 SER N N 15 119.4 0.2 . 1 . . . . 108 SER N . 6840 1 1159 . 1 1 109 109 VAL H H 1 8.29 0.02 . 1 . . . . 109 VAL HN . 6840 1 1160 . 1 1 109 109 VAL HA H 1 4.58 0.02 . 1 . . . . 109 VAL HA . 6840 1 1161 . 1 1 109 109 VAL HB H 1 1.73 0.02 . 1 . . . . 109 VAL HB . 6840 1 1162 . 1 1 109 109 VAL HG11 H 1 0.60 0.02 . 1 . . . . 109 VAL QG1 . 6840 1 1163 . 1 1 109 109 VAL HG12 H 1 0.60 0.02 . 1 . . . . 109 VAL QG1 . 6840 1 1164 . 1 1 109 109 VAL HG13 H 1 0.60 0.02 . 1 . . . . 109 VAL QG1 . 6840 1 1165 . 1 1 109 109 VAL HG21 H 1 0.80 0.02 . 1 . . . . 109 VAL QG2 . 6840 1 1166 . 1 1 109 109 VAL HG22 H 1 0.80 0.02 . 1 . . . . 109 VAL QG2 . 6840 1 1167 . 1 1 109 109 VAL HG23 H 1 0.80 0.02 . 1 . . . . 109 VAL QG2 . 6840 1 1168 . 1 1 109 109 VAL C C 13 176.5 0.2 . 1 . . . . 109 VAL C . 6840 1 1169 . 1 1 109 109 VAL CA C 13 61.6 0.2 . 1 . . . . 109 VAL CA . 6840 1 1170 . 1 1 109 109 VAL CB C 13 33.5 0.2 . 1 . . . . 109 VAL CB . 6840 1 1171 . 1 1 109 109 VAL N N 15 123.4 0.2 . 1 . . . . 109 VAL N . 6840 1 1172 . 1 1 110 110 VAL H H 1 9.23 0.02 . 1 . . . . 110 VAL HN . 6840 1 1173 . 1 1 110 110 VAL HA H 1 4.04 0.02 . 1 . . . . 110 VAL HA . 6840 1 1174 . 1 1 110 110 VAL HB H 1 0.98 0.02 . 1 . . . . 110 VAL HB . 6840 1 1175 . 1 1 110 110 VAL HG11 H 1 -0.26 0.02 . 1 . . . . 110 VAL QG1 . 6840 1 1176 . 1 1 110 110 VAL HG12 H 1 -0.26 0.02 . 1 . . . . 110 VAL QG1 . 6840 1 1177 . 1 1 110 110 VAL HG13 H 1 -0.26 0.02 . 1 . . . . 110 VAL QG1 . 6840 1 1178 . 1 1 110 110 VAL HG21 H 1 0.28 0.02 . 1 . . . . 110 VAL QG2 . 6840 1 1179 . 1 1 110 110 VAL HG22 H 1 0.28 0.02 . 1 . . . . 110 VAL QG2 . 6840 1 1180 . 1 1 110 110 VAL HG23 H 1 0.28 0.02 . 1 . . . . 110 VAL QG2 . 6840 1 1181 . 1 1 110 110 VAL C C 13 173.6 0.2 . 1 . . . . 110 VAL C . 6840 1 1182 . 1 1 110 110 VAL CA C 13 61.2 0.2 . 1 . . . . 110 VAL CA . 6840 1 1183 . 1 1 110 110 VAL CB C 13 33.2 0.2 . 1 . . . . 110 VAL CB . 6840 1 1184 . 1 1 110 110 VAL N N 15 131.4 0.2 . 1 . . . . 110 VAL N . 6840 1 1185 . 1 1 111 111 GLN H H 1 8.51 0.02 . 1 . . . . 111 GLN HN . 6840 1 1186 . 1 1 111 111 GLN HA H 1 4.94 0.02 . 1 . . . . 111 GLN HA . 6840 1 1187 . 1 1 111 111 GLN HB2 H 1 1.58 0.02 . 1 . . . . 111 GLN HB2 . 6840 1 1188 . 1 1 111 111 GLN HB3 H 1 1.58 0.02 . 1 . . . . 111 GLN HB3 . 6840 1 1189 . 1 1 111 111 GLN HG2 H 1 2.06 0.02 . 1 . . . . 111 GLN HG2 . 6840 1 1190 . 1 1 111 111 GLN HG3 H 1 2.06 0.02 . 1 . . . . 111 GLN HG3 . 6840 1 1191 . 1 1 111 111 GLN HE21 H 1 7.44 0.02 . 1 . . . . 111 GLN HE21 . 6840 1 1192 . 1 1 111 111 GLN HE22 H 1 6.61 0.02 . 1 . . . . 111 GLN HE22 . 6840 1 1193 . 1 1 111 111 GLN C C 13 175.0 0.2 . 1 . . . . 111 GLN C . 6840 1 1194 . 1 1 111 111 GLN CA C 13 54.0 0.2 . 1 . . . . 111 GLN CA . 6840 1 1195 . 1 1 111 111 GLN CB C 13 31.6 0.2 . 1 . . . . 111 GLN CB . 6840 1 1196 . 1 1 111 111 GLN N N 15 127.3 0.2 . 1 . . . . 111 GLN N . 6840 1 1197 . 1 1 111 111 GLN NE2 N 15 111.3 0.2 . 1 . . . . 111 GLN NE2 . 6840 1 1198 . 1 1 112 112 VAL H H 1 8.90 0.02 . 1 . . . . 112 VAL HN . 6840 1 1199 . 1 1 112 112 VAL HA H 1 4.87 0.02 . 1 . . . . 112 VAL HA . 6840 1 1200 . 1 1 112 112 VAL HB H 1 1.75 0.02 . 1 . . . . 112 VAL HB . 6840 1 1201 . 1 1 112 112 VAL HG11 H 1 0.53 0.02 . 1 . . . . 112 VAL QG1 . 6840 1 1202 . 1 1 112 112 VAL HG12 H 1 0.53 0.02 . 1 . . . . 112 VAL QG1 . 6840 1 1203 . 1 1 112 112 VAL HG13 H 1 0.53 0.02 . 1 . . . . 112 VAL QG1 . 6840 1 1204 . 1 1 112 112 VAL HG21 H 1 0.74 0.02 . 1 . . . . 112 VAL QG2 . 6840 1 1205 . 1 1 112 112 VAL HG22 H 1 0.74 0.02 . 1 . . . . 112 VAL QG2 . 6840 1 1206 . 1 1 112 112 VAL HG23 H 1 0.74 0.02 . 1 . . . . 112 VAL QG2 . 6840 1 1207 . 1 1 112 112 VAL C C 13 174.6 0.2 . 1 . . . . 112 VAL C . 6840 1 1208 . 1 1 112 112 VAL CA C 13 59.5 0.2 . 1 . . . . 112 VAL CA . 6840 1 1209 . 1 1 112 112 VAL CB C 13 32.6 0.2 . 1 . . . . 112 VAL CB . 6840 1 1210 . 1 1 112 112 VAL N N 15 129.7 0.2 . 1 . . . . 112 VAL N . 6840 1 1211 . 1 1 113 113 GLY H H 1 8.62 0.02 . 1 . . . . 113 GLY HN . 6840 1 1212 . 1 1 113 113 GLY HA2 H 1 3.82 0.02 . 1 . . . . 113 GLY HA1 . 6840 1 1213 . 1 1 113 113 GLY HA3 H 1 3.10 0.02 . 1 . . . . 113 GLY HA2 . 6840 1 1214 . 1 1 113 113 GLY C C 13 171.9 0.2 . 1 . . . . 113 GLY C . 6840 1 1215 . 1 1 113 113 GLY CA C 13 43.4 0.2 . 1 . . . . 113 GLY CA . 6840 1 1216 . 1 1 113 113 GLY N N 15 113.5 0.2 . 1 . . . . 113 GLY N . 6840 1 1217 . 1 1 114 114 PHE H H 1 7.20 0.02 . 1 . . . . 114 PHE HN . 6840 1 1218 . 1 1 114 114 PHE HA H 1 4.84 0.02 . 1 . . . . 114 PHE HA . 6840 1 1219 . 1 1 114 114 PHE HB2 H 1 2.74 0.02 . 1 . . . . 114 PHE HB2 . 6840 1 1220 . 1 1 114 114 PHE HB3 H 1 2.82 0.02 . 1 . . . . 114 PHE HB3 . 6840 1 1221 . 1 1 114 114 PHE HD1 H 1 6.45 0.02 . 1 . . . . 114 PHE HD1 . 6840 1 1222 . 1 1 114 114 PHE HD2 H 1 6.45 0.02 . 1 . . . . 114 PHE HD2 . 6840 1 1223 . 1 1 114 114 PHE HE1 H 1 6.74 0.02 . 1 . . . . 114 PHE HE1 . 6840 1 1224 . 1 1 114 114 PHE HE2 H 1 6.74 0.02 . 1 . . . . 114 PHE HE2 . 6840 1 1225 . 1 1 114 114 PHE HZ H 1 6.90 0.02 . 1 . . . . 114 PHE HZ . 6840 1 1226 . 1 1 114 114 PHE CA C 13 52.7 0.2 . 1 . . . . 114 PHE CA . 6840 1 1227 . 1 1 114 114 PHE CB C 13 39.2 0.2 . 1 . . . . 114 PHE CB . 6840 1 1228 . 1 1 114 114 PHE N N 15 117.5 0.2 . 1 . . . . 114 PHE N . 6840 1 1229 . 1 1 115 115 PRO HA H 1 4.60 0.02 . 1 . . . . 115 PRO HA . 6840 1 1230 . 1 1 115 115 PRO HB2 H 1 1.41 0.02 . 2 . . . . 115 PRO HB2 . 6840 1 1231 . 1 1 115 115 PRO HB3 H 1 1.72 0.02 . 2 . . . . 115 PRO HB3 . 6840 1 1232 . 1 1 115 115 PRO HG2 H 1 1.48 0.02 . 2 . . . . 115 PRO HG2 . 6840 1 1233 . 1 1 115 115 PRO HG3 H 1 1.68 0.02 . 2 . . . . 115 PRO HG3 . 6840 1 1234 . 1 1 115 115 PRO HD2 H 1 2.92 0.02 . 2 . . . . 115 PRO HD2 . 6840 1 1235 . 1 1 115 115 PRO HD3 H 1 3.89 0.02 . 2 . . . . 115 PRO HD3 . 6840 1 1236 . 1 1 115 115 PRO C C 13 175.3 0.2 . 1 . . . . 115 PRO C . 6840 1 1237 . 1 1 115 115 PRO CA C 13 61.9 0.2 . 1 . . . . 115 PRO CA . 6840 1 1238 . 1 1 115 115 PRO CB C 13 28.3 0.2 . 1 . . . . 115 PRO CB . 6840 1 1239 . 1 1 116 116 CYS H H 1 8.18 0.02 . 1 . . . . 116 CYS HN . 6840 1 1240 . 1 1 116 116 CYS HA H 1 4.53 0.02 . 1 . . . . 116 CYS HA . 6840 1 1241 . 1 1 116 116 CYS HB2 H 1 2.95 0.02 . 1 . . . . 116 CYS HB2 . 6840 1 1242 . 1 1 116 116 CYS HB3 H 1 3.38 0.02 . 1 . . . . 116 CYS HB3 . 6840 1 1243 . 1 1 116 116 CYS C C 13 176.7 0.2 . 1 . . . . 116 CYS C . 6840 1 1244 . 1 1 116 116 CYS CA C 13 56.8 0.2 . 1 . . . . 116 CYS CA . 6840 1 1245 . 1 1 116 116 CYS CB C 13 37.8 0.2 . 1 . . . . 116 CYS CB . 6840 1 1246 . 1 1 116 116 CYS N N 15 126.9 0.2 . 1 . . . . 116 CYS N . 6840 1 1247 . 1 1 117 117 LEU H H 1 8.62 0.02 . 1 . . . . 117 LEU HN . 6840 1 1248 . 1 1 117 117 LEU HA H 1 4.53 0.02 . 1 . . . . 117 LEU HA . 6840 1 1249 . 1 1 117 117 LEU HB2 H 1 1.78 0.02 . 2 . . . . 117 LEU HB2 . 6840 1 1250 . 1 1 117 117 LEU HB3 H 1 1.65 0.02 . 2 . . . . 117 LEU HB3 . 6840 1 1251 . 1 1 117 117 LEU HG H 1 1.49 0.02 . 1 . . . . 117 LEU HG . 6840 1 1252 . 1 1 117 117 LEU HD11 H 1 0.93 0.02 . 1 . . . . 117 LEU QD1 . 6840 1 1253 . 1 1 117 117 LEU HD12 H 1 0.93 0.02 . 1 . . . . 117 LEU QD1 . 6840 1 1254 . 1 1 117 117 LEU HD13 H 1 0.93 0.02 . 1 . . . . 117 LEU QD1 . 6840 1 1255 . 1 1 117 117 LEU HD21 H 1 0.96 0.02 . 1 . . . . 117 LEU QD2 . 6840 1 1256 . 1 1 117 117 LEU HD22 H 1 0.96 0.02 . 1 . . . . 117 LEU QD2 . 6840 1 1257 . 1 1 117 117 LEU HD23 H 1 0.96 0.02 . 1 . . . . 117 LEU QD2 . 6840 1 1258 . 1 1 117 117 LEU C C 13 178.1 0.2 . 1 . . . . 117 LEU C . 6840 1 1259 . 1 1 117 117 LEU CA C 13 56.6 0.2 . 1 . . . . 117 LEU CA . 6840 1 1260 . 1 1 117 117 LEU CB C 13 42.5 0.2 . 1 . . . . 117 LEU CB . 6840 1 1261 . 1 1 117 117 LEU N N 15 128.6 0.2 . 1 . . . . 117 LEU N . 6840 1 1262 . 1 1 118 118 GLY H H 1 8.52 0.02 . 1 . . . . 118 GLY HN . 6840 1 1263 . 1 1 118 118 GLY HA2 H 1 3.90 0.02 . 1 . . . . 118 GLY HA1 . 6840 1 1264 . 1 1 118 118 GLY HA3 H 1 4.19 0.02 . 1 . . . . 118 GLY HA2 . 6840 1 1265 . 1 1 118 118 GLY C C 13 174.0 0.2 . 1 . . . . 118 GLY C . 6840 1 1266 . 1 1 118 118 GLY CA C 13 45.9 0.2 . 1 . . . . 118 GLY CA . 6840 1 1267 . 1 1 118 118 GLY N N 15 106.7 0.2 . 1 . . . . 118 GLY N . 6840 1 1268 . 1 1 119 119 LYS H H 1 7.66 0.02 . 1 . . . . 119 LYS HN . 6840 1 1269 . 1 1 119 119 LYS HA H 1 4.35 0.02 . 1 . . . . 119 LYS HA . 6840 1 1270 . 1 1 119 119 LYS HB2 H 1 1.70 0.02 . 1 . . . . 119 LYS HB2 . 6840 1 1271 . 1 1 119 119 LYS HB3 H 1 1.92 0.02 . 1 . . . . 119 LYS HB3 . 6840 1 1272 . 1 1 119 119 LYS HG2 H 1 1.32 0.02 . 2 . . . . 119 LYS HG2 . 6840 1 1273 . 1 1 119 119 LYS HG3 H 1 1.41 0.02 . 2 . . . . 119 LYS HG3 . 6840 1 1274 . 1 1 119 119 LYS HD2 H 1 1.59 0.02 . 1 . . . . 119 LYS HD2 . 6840 1 1275 . 1 1 119 119 LYS HD3 H 1 1.63 0.02 . 1 . . . . 119 LYS HD3 . 6840 1 1276 . 1 1 119 119 LYS HE2 H 1 3.00 0.02 . 1 . . . . 119 LYS HE2 . 6840 1 1277 . 1 1 119 119 LYS HE3 H 1 3.00 0.02 . 1 . . . . 119 LYS HE3 . 6840 1 1278 . 1 1 119 119 LYS C C 13 175.9 0.2 . 1 . . . . 119 LYS C . 6840 1 1279 . 1 1 119 119 LYS CA C 13 56.4 0.2 . 1 . . . . 119 LYS CA . 6840 1 1280 . 1 1 119 119 LYS CB C 13 33.2 0.2 . 1 . . . . 119 LYS CB . 6840 1 1281 . 1 1 119 119 LYS N N 15 118.6 0.2 . 1 . . . . 119 LYS N . 6840 1 1282 . 1 1 120 120 GLN H H 1 7.78 0.02 . 1 . . . . 120 GLN HN . 6840 1 1283 . 1 1 120 120 GLN HA H 1 4.48 0.02 . 1 . . . . 120 GLN HA . 6840 1 1284 . 1 1 120 120 GLN HB2 H 1 1.77 0.02 . 1 . . . . 120 GLN HB2 . 6840 1 1285 . 1 1 120 120 GLN HB3 H 1 1.88 0.02 . 1 . . . . 120 GLN HB3 . 6840 1 1286 . 1 1 120 120 GLN HG2 H 1 2.08 0.02 . 1 . . . . 120 GLN HG2 . 6840 1 1287 . 1 1 120 120 GLN HG3 H 1 2.16 0.02 . 1 . . . . 120 GLN HG3 . 6840 1 1288 . 1 1 120 120 GLN HE21 H 1 7.25 0.02 . 1 . . . . 120 GLN HE21 . 6840 1 1289 . 1 1 120 120 GLN HE22 H 1 6.80 0.02 . 1 . . . . 120 GLN HE22 . 6840 1 1290 . 1 1 120 120 GLN C C 13 173.9 0.2 . 1 . . . . 120 GLN C . 6840 1 1291 . 1 1 120 120 GLN CA C 13 54.3 0.2 . 1 . . . . 120 GLN CA . 6840 1 1292 . 1 1 120 120 GLN CB C 13 32.3 0.2 . 1 . . . . 120 GLN CB . 6840 1 1293 . 1 1 120 120 GLN N N 15 115.8 0.2 . 1 . . . . 120 GLN N . 6840 1 1294 . 1 1 120 120 GLN NE2 N 15 111.1 0.2 . 1 . . . . 120 GLN NE2 . 6840 1 1295 . 1 1 121 121 ASP H H 1 8.66 0.02 . 1 . . . . 121 ASP HN . 6840 1 1296 . 1 1 121 121 ASP HA H 1 4.78 0.02 . 1 . . . . 121 ASP HA . 6840 1 1297 . 1 1 121 121 ASP HB2 H 1 2.57 0.02 . 1 . . . . 121 ASP HB2 . 6840 1 1298 . 1 1 121 121 ASP HB3 H 1 2.70 0.02 . 1 . . . . 121 ASP HB3 . 6840 1 1299 . 1 1 121 121 ASP C C 13 176.2 0.2 . 1 . . . . 121 ASP C . 6840 1 1300 . 1 1 121 121 ASP CA C 13 53.2 0.2 . 1 . . . . 121 ASP CA . 6840 1 1301 . 1 1 121 121 ASP CB C 13 41.6 0.2 . 1 . . . . 121 ASP CB . 6840 1 1302 . 1 1 121 121 ASP N N 15 123.3 0.2 . 1 . . . . 121 ASP N . 6840 1 1303 . 1 1 122 122 GLY H H 1 8.36 0.02 . 1 . . . . 122 GLY HN . 6840 1 1304 . 1 1 122 122 GLY HA2 H 1 3.95 0.02 . 1 . . . . 122 GLY HA1 . 6840 1 1305 . 1 1 122 122 GLY HA3 H 1 4.18 0.02 . 1 . . . . 122 GLY HA2 . 6840 1 1306 . 1 1 122 122 GLY C C 13 170.5 0.2 . 1 . . . . 122 GLY C . 6840 1 1307 . 1 1 122 122 GLY CA C 13 45.4 0.02 . 1 . . . . 122 GLY CA . 6840 1 1308 . 1 1 122 122 GLY N N 15 107.9 0.2 . 1 . . . . 122 GLY N . 6840 1 1309 . 1 1 123 123 VAL H H 1 8.41 0.02 . 1 . . . . 123 VAL HN . 6840 1 1310 . 1 1 123 123 VAL HA H 1 4.85 0.02 . 1 . . . . 123 VAL HA . 6840 1 1311 . 1 1 123 123 VAL HB H 1 1.88 0.02 . 1 . . . . 123 VAL HB . 6840 1 1312 . 1 1 123 123 VAL HG11 H 1 0.81 0.02 . 1 . . . . 123 VAL QG1 . 6840 1 1313 . 1 1 123 123 VAL HG12 H 1 0.81 0.02 . 1 . . . . 123 VAL QG1 . 6840 1 1314 . 1 1 123 123 VAL HG13 H 1 0.81 0.02 . 1 . . . . 123 VAL QG1 . 6840 1 1315 . 1 1 123 123 VAL HG21 H 1 0.87 0.02 . 1 . . . . 123 VAL QG2 . 6840 1 1316 . 1 1 123 123 VAL HG22 H 1 0.87 0.02 . 1 . . . . 123 VAL QG2 . 6840 1 1317 . 1 1 123 123 VAL HG23 H 1 0.87 0.02 . 1 . . . . 123 VAL QG2 . 6840 1 1318 . 1 1 123 123 VAL C C 13 175.1 0.2 . 1 . . . . 123 VAL C . 6840 1 1319 . 1 1 123 123 VAL CA C 13 60.8 0.2 . 1 . . . . 123 VAL CA . 6840 1 1320 . 1 1 123 123 VAL CB C 13 32.7 0.2 . 1 . . . . 123 VAL CB . 6840 1 1321 . 1 1 123 123 VAL N N 15 120.7 0.2 . 1 . . . . 123 VAL N . 6840 1 1322 . 1 1 124 124 ALA H H 1 9.38 0.02 . 1 . . . . 124 ALA HN . 6840 1 1323 . 1 1 124 124 ALA HA H 1 4.78 0.02 . 1 . . . . 124 ALA HA . 6840 1 1324 . 1 1 124 124 ALA HB1 H 1 1.46 0.02 . 1 . . . . 124 ALA QB . 6840 1 1325 . 1 1 124 124 ALA HB2 H 1 1.46 0.02 . 1 . . . . 124 ALA QB . 6840 1 1326 . 1 1 124 124 ALA HB3 H 1 1.46 0.02 . 1 . . . . 124 ALA QB . 6840 1 1327 . 1 1 124 124 ALA C C 13 175.7 0.2 . 1 . . . . 124 ALA C . 6840 1 1328 . 1 1 124 124 ALA CA C 13 50.4 0.2 . 1 . . . . 124 ALA CA . 6840 1 1329 . 1 1 124 124 ALA CB C 13 21.9 0.2 . 1 . . . . 124 ALA CB . 6840 1 1330 . 1 1 124 124 ALA N N 15 130.3 0.2 . 1 . . . . 124 ALA N . 6840 1 1331 . 1 1 125 125 ALA H H 1 9.32 0.02 . 1 . . . . 125 ALA HN . 6840 1 1332 . 1 1 125 125 ALA HA H 1 5.20 0.02 . 1 . . . . 125 ALA HA . 6840 1 1333 . 1 1 125 125 ALA HB1 H 1 1.25 0.02 . 1 . . . . 125 ALA QB . 6840 1 1334 . 1 1 125 125 ALA HB2 H 1 1.25 0.02 . 1 . . . . 125 ALA QB . 6840 1 1335 . 1 1 125 125 ALA HB3 H 1 1.25 0.02 . 1 . . . . 125 ALA QB . 6840 1 1336 . 1 1 125 125 ALA C C 13 177.2 0.2 . 1 . . . . 125 ALA C . 6840 1 1337 . 1 1 125 125 ALA CA C 13 49.9 0.2 . 1 . . . . 125 ALA CA . 6840 1 1338 . 1 1 125 125 ALA CB C 13 20.8 0.2 . 1 . . . . 125 ALA CB . 6840 1 1339 . 1 1 125 125 ALA N N 15 127.3 0.2 . 1 . . . . 125 ALA N . 6840 1 1340 . 1 1 126 126 PHE H H 1 9.00 0.02 . 1 . . . . 126 PHE HN . 6840 1 1341 . 1 1 126 126 PHE HA H 1 5.27 0.02 . 1 . . . . 126 PHE HA . 6840 1 1342 . 1 1 126 126 PHE HB2 H 1 2.88 0.02 . 1 . . . . 126 PHE HB2 . 6840 1 1343 . 1 1 126 126 PHE HB3 H 1 2.99 0.02 . 1 . . . . 126 PHE HB3 . 6840 1 1344 . 1 1 126 126 PHE HD1 H 1 6.90 0.02 . 1 . . . . 126 PHE HD1 . 6840 1 1345 . 1 1 126 126 PHE HD2 H 1 6.90 0.02 . 1 . . . . 126 PHE HD2 . 6840 1 1346 . 1 1 126 126 PHE HE1 H 1 6.75 0.02 . 1 . . . . 126 PHE HE1 . 6840 1 1347 . 1 1 126 126 PHE HE2 H 1 6.75 0.02 . 1 . . . . 126 PHE HE2 . 6840 1 1348 . 1 1 126 126 PHE HZ H 1 6.82 0.02 . 1 . . . . 126 PHE HZ . 6840 1 1349 . 1 1 126 126 PHE C C 13 170.8 0.2 . 1 . . . . 126 PHE C . 6840 1 1350 . 1 1 126 126 PHE CA C 13 56.3 0.2 . 1 . . . . 126 PHE CA . 6840 1 1351 . 1 1 126 126 PHE CB C 13 41.5 0.2 . 1 . . . . 126 PHE CB . 6840 1 1352 . 1 1 126 126 PHE N N 15 115.8 0.2 . 1 . . . . 126 PHE N . 6840 1 1353 . 1 1 127 127 GLU H H 1 9.07 0.02 . 1 . . . . 127 GLU HN . 6840 1 1354 . 1 1 127 127 GLU HA H 1 4.90 0.02 . 1 . . . . 127 GLU HA . 6840 1 1355 . 1 1 127 127 GLU HB2 H 1 1.87 0.02 . 1 . . . . 127 GLU HB2 . 6840 1 1356 . 1 1 127 127 GLU HB3 H 1 1.93 0.02 . 1 . . . . 127 GLU HB3 . 6840 1 1357 . 1 1 127 127 GLU HG2 H 1 2.13 0.02 . 1 . . . . 127 GLU HG2 . 6840 1 1358 . 1 1 127 127 GLU HG3 H 1 2.13 0.02 . 1 . . . . 127 GLU HG3 . 6840 1 1359 . 1 1 127 127 GLU C C 13 175.5 0.2 . 1 . . . . 127 GLU C . 6840 1 1360 . 1 1 127 127 GLU CA C 13 54.0 0.2 . 1 . . . . 127 GLU CA . 6840 1 1361 . 1 1 127 127 GLU CB C 13 40.0 0.2 . 1 . . . . 127 GLU CB . 6840 1 1362 . 1 1 127 127 GLU N N 15 118.6 0.2 . 1 . . . . 127 GLU N . 6840 1 1363 . 1 1 128 128 VAL H H 1 8.52 0.02 . 1 . . . . 128 VAL HN . 6840 1 1364 . 1 1 128 128 VAL HA H 1 4.67 0.02 . 1 . . . . 128 VAL HA . 6840 1 1365 . 1 1 128 128 VAL HB H 1 2.09 0.02 . 1 . . . . 128 VAL HB . 6840 1 1366 . 1 1 128 128 VAL HG11 H 1 0.87 0.02 . 1 . . . . 128 VAL QG1 . 6840 1 1367 . 1 1 128 128 VAL HG12 H 1 0.87 0.02 . 1 . . . . 128 VAL QG1 . 6840 1 1368 . 1 1 128 128 VAL HG13 H 1 0.87 0.02 . 1 . . . . 128 VAL QG1 . 6840 1 1369 . 1 1 128 128 VAL HG21 H 1 1.00 0.02 . 1 . . . . 128 VAL QG2 . 6840 1 1370 . 1 1 128 128 VAL HG22 H 1 1.00 0.02 . 1 . . . . 128 VAL QG2 . 6840 1 1371 . 1 1 128 128 VAL HG23 H 1 1.00 0.02 . 1 . . . . 128 VAL QG2 . 6840 1 1372 . 1 1 128 128 VAL C C 13 173.3 0.2 . 1 . . . . 128 VAL C . 6840 1 1373 . 1 1 128 128 VAL CA C 13 61.4 0.2 . 1 . . . . 128 VAL CA . 6840 1 1374 . 1 1 128 128 VAL CB C 13 33.1 0.2 . 1 . . . . 128 VAL CB . 6840 1 1375 . 1 1 128 128 VAL N N 15 121.7 0.2 . 1 . . . . 128 VAL N . 6840 1 1376 . 1 1 129 129 ASP H H 1 9.03 0.02 . 1 . . . . 129 ASP HN . 6840 1 1377 . 1 1 129 129 ASP HA H 1 5.06 0.02 . 1 . . . . 129 ASP HA . 6840 1 1378 . 1 1 129 129 ASP HB2 H 1 2.48 0.02 . 1 . . . . 129 ASP HB2 . 6840 1 1379 . 1 1 129 129 ASP HB3 H 1 2.75 0.02 . 1 . . . . 129 ASP HB3 . 6840 1 1380 . 1 1 129 129 ASP C C 13 174.4 0.2 . 1 . . . . 129 ASP C . 6840 1 1381 . 1 1 129 129 ASP CA C 13 52.7 0.2 . 1 . . . . 129 ASP CA . 6840 1 1382 . 1 1 129 129 ASP CB C 13 41.8 0.2 . 1 . . . . 129 ASP CB . 6840 1 1383 . 1 1 129 129 ASP N N 15 126.3 0.2 . 1 . . . . 129 ASP N . 6840 1 1384 . 1 1 130 130 VAL H H 1 8.47 0.02 . 1 . . . . 130 VAL HN . 6840 1 1385 . 1 1 130 130 VAL HA H 1 4.95 0.02 . 1 . . . . 130 VAL HA . 6840 1 1386 . 1 1 130 130 VAL HB H 1 1.42 0.02 . 1 . . . . 130 VAL HB . 6840 1 1387 . 1 1 130 130 VAL HG11 H 1 0.46 0.02 . 1 . . . . 130 VAL QG1 . 6840 1 1388 . 1 1 130 130 VAL HG12 H 1 0.46 0.02 . 1 . . . . 130 VAL QG1 . 6840 1 1389 . 1 1 130 130 VAL HG13 H 1 0.46 0.02 . 1 . . . . 130 VAL QG1 . 6840 1 1390 . 1 1 130 130 VAL HG21 H 1 0.11 0.02 . 1 . . . . 130 VAL QG2 . 6840 1 1391 . 1 1 130 130 VAL HG22 H 1 0.11 0.02 . 1 . . . . 130 VAL QG2 . 6840 1 1392 . 1 1 130 130 VAL HG23 H 1 0.11 0.02 . 1 . . . . 130 VAL QG2 . 6840 1 1393 . 1 1 130 130 VAL C C 13 175.6 0.2 . 1 . . . . 130 VAL C . 6840 1 1394 . 1 1 130 130 VAL CA C 13 59.0 0.2 . 1 . . . . 130 VAL CA . 6840 1 1395 . 1 1 130 130 VAL CB C 13 33.0 0.2 . 1 . . . . 130 VAL CB . 6840 1 1396 . 1 1 130 130 VAL N N 15 125.7 0.2 . 1 . . . . 130 VAL N . 6840 1 1397 . 1 1 131 131 ILE H H 1 8.34 0.02 . 1 . . . . 131 ILE HN . 6840 1 1398 . 1 1 131 131 ILE HA H 1 5.05 0.02 . 1 . . . . 131 ILE HA . 6840 1 1399 . 1 1 131 131 ILE HB H 1 1.72 0.02 . 1 . . . . 131 ILE HB . 6840 1 1400 . 1 1 131 131 ILE HG12 H 1 1.10 0.02 . 1 . . . . 131 ILE HG12 . 6840 1 1401 . 1 1 131 131 ILE HG13 H 1 1.61 0.02 . 1 . . . . 131 ILE HG13 . 6840 1 1402 . 1 1 131 131 ILE HG21 H 1 0.99 0.02 . 1 . . . . 131 ILE QG2 . 6840 1 1403 . 1 1 131 131 ILE HG22 H 1 0.99 0.02 . 1 . . . . 131 ILE QG2 . 6840 1 1404 . 1 1 131 131 ILE HG23 H 1 0.99 0.02 . 1 . . . . 131 ILE QG2 . 6840 1 1405 . 1 1 131 131 ILE HD11 H 1 0.88 0.02 . 1 . . . . 131 ILE QD1 . 6840 1 1406 . 1 1 131 131 ILE HD12 H 1 0.88 0.02 . 1 . . . . 131 ILE QD1 . 6840 1 1407 . 1 1 131 131 ILE HD13 H 1 0.88 0.02 . 1 . . . . 131 ILE QD1 . 6840 1 1408 . 1 1 131 131 ILE C C 13 173.9 0.2 . 1 . . . . 131 ILE C . 6840 1 1409 . 1 1 131 131 ILE CA C 13 59.2 0.2 . 1 . . . . 131 ILE CA . 6840 1 1410 . 1 1 131 131 ILE CB C 13 42.3 0.2 . 1 . . . . 131 ILE CB . 6840 1 1411 . 1 1 131 131 ILE N N 15 121.5 0.2 . 1 . . . . 131 ILE N . 6840 1 1412 . 1 1 132 132 VAL H H 1 8.64 0.02 . 1 . . . . 132 VAL HN . 6840 1 1413 . 1 1 132 132 VAL HA H 1 5.06 0.02 . 1 . . . . 132 VAL HA . 6840 1 1414 . 1 1 132 132 VAL HB H 1 1.74 0.02 . 1 . . . . 132 VAL HB . 6840 1 1415 . 1 1 132 132 VAL HG11 H 1 0.82 0.02 . 1 . . . . 132 VAL QG1 . 6840 1 1416 . 1 1 132 132 VAL HG12 H 1 0.82 0.02 . 1 . . . . 132 VAL QG1 . 6840 1 1417 . 1 1 132 132 VAL HG13 H 1 0.82 0.02 . 1 . . . . 132 VAL QG1 . 6840 1 1418 . 1 1 132 132 VAL HG21 H 1 0.73 0.02 . 1 . . . . 132 VAL QG2 . 6840 1 1419 . 1 1 132 132 VAL HG22 H 1 0.73 0.02 . 1 . . . . 132 VAL QG2 . 6840 1 1420 . 1 1 132 132 VAL HG23 H 1 0.73 0.02 . 1 . . . . 132 VAL QG2 . 6840 1 1421 . 1 1 132 132 VAL C C 13 174.9 0.2 . 1 . . . . 132 VAL C . 6840 1 1422 . 1 1 132 132 VAL CA C 13 60.9 0.2 . 1 . . . . 132 VAL CA . 6840 1 1423 . 1 1 132 132 VAL CB C 13 34.3 0.2 . 1 . . . . 132 VAL CB . 6840 1 1424 . 1 1 132 132 VAL N N 15 121.3 0.2 . 1 . . . . 132 VAL N . 6840 1 1425 . 1 1 133 133 MET H H 1 9.81 0.02 . 1 . . . . 133 MET HN . 6840 1 1426 . 1 1 133 133 MET HA H 1 5.53 0.02 . 1 . . . . 133 MET HA . 6840 1 1427 . 1 1 133 133 MET HB2 H 1 1.90 0.02 . 1 . . . . 133 MET HB2 . 6840 1 1428 . 1 1 133 133 MET HB3 H 1 2.06 0.02 . 1 . . . . 133 MET HB3 . 6840 1 1429 . 1 1 133 133 MET HG2 H 1 2.27 0.02 . 2 . . . . 133 MET HG2 . 6840 1 1430 . 1 1 133 133 MET HG3 H 1 2.42 0.02 . 2 . . . . 133 MET HG3 . 6840 1 1431 . 1 1 133 133 MET HE1 H 1 1.90 0.02 . 1 . . . . 133 MET QE . 6840 1 1432 . 1 1 133 133 MET HE2 H 1 1.90 0.02 . 1 . . . . 133 MET QE . 6840 1 1433 . 1 1 133 133 MET HE3 H 1 1.90 0.02 . 1 . . . . 133 MET QE . 6840 1 1434 . 1 1 133 133 MET C C 13 175.8 0.2 . 1 . . . . 133 MET C . 6840 1 1435 . 1 1 133 133 MET CA C 13 53.9 0.2 . 1 . . . . 133 MET CA . 6840 1 1436 . 1 1 133 133 MET CB C 13 38.0 0.2 . 1 . . . . 133 MET CB . 6840 1 1437 . 1 1 133 133 MET N N 15 126.6 0.2 . 1 . . . . 133 MET N . 6840 1 1438 . 1 1 134 134 ASN H H 1 8.32 0.02 . 1 . . . . 134 ASN HN . 6840 1 1439 . 1 1 134 134 ASN HA H 1 5.08 0.02 . 1 . . . . 134 ASN HA . 6840 1 1440 . 1 1 134 134 ASN HB2 H 1 3.81 0.02 . 1 . . . . 134 ASN HB2 . 6840 1 1441 . 1 1 134 134 ASN HB3 H 1 2.85 0.02 . 1 . . . . 134 ASN HB3 . 6840 1 1442 . 1 1 134 134 ASN HD21 H 1 8.13 0.02 . 1 . . . . 134 ASN HD21 . 6840 1 1443 . 1 1 134 134 ASN HD22 H 1 7.37 0.02 . 1 . . . . 134 ASN HD22 . 6840 1 1444 . 1 1 134 134 ASN C C 13 177.3 0.2 . 1 . . . . 134 ASN C . 6840 1 1445 . 1 1 134 134 ASN CA C 13 51.0 0.2 . 1 . . . . 134 ASN CA . 6840 1 1446 . 1 1 134 134 ASN CB C 13 39.3 0.2 . 1 . . . . 134 ASN CB . 6840 1 1447 . 1 1 134 134 ASN N N 15 117.0 0.2 . 1 . . . . 134 ASN N . 6840 1 1448 . 1 1 134 134 ASN ND2 N 15 112.6 0.2 . 1 . . . . 134 ASN ND2 . 6840 1 1449 . 1 1 135 135 SER H H 1 8.94 0.02 . 1 . . . . 135 SER HN . 6840 1 1450 . 1 1 135 135 SER HA H 1 4.06 0.02 . 1 . . . . 135 SER HA . 6840 1 1451 . 1 1 135 135 SER HB2 H 1 3.92 0.02 . 1 . . . . 135 SER HB2 . 6840 1 1452 . 1 1 135 135 SER HB3 H 1 3.92 0.02 . 1 . . . . 135 SER HB3 . 6840 1 1453 . 1 1 135 135 SER C C 13 175.0 0.2 . 1 . . . . 135 SER C . 6840 1 1454 . 1 1 135 135 SER CA C 13 61.3 0.2 . 1 . . . . 135 SER CA . 6840 1 1455 . 1 1 135 135 SER CB C 13 62.5 0.2 . 1 . . . . 135 SER CB . 6840 1 1456 . 1 1 135 135 SER N N 15 113.8 0.2 . 1 . . . . 135 SER N . 6840 1 1457 . 1 1 136 136 GLU H H 1 7.45 0.02 . 1 . . . . 136 GLU HN . 6840 1 1458 . 1 1 136 136 GLU HA H 1 4.30 0.02 . 1 . . . . 136 GLU HA . 6840 1 1459 . 1 1 136 136 GLU HB2 H 1 1.89 0.02 . 1 . . . . 136 GLU HB2 . 6840 1 1460 . 1 1 136 136 GLU HB3 H 1 1.89 0.02 . 1 . . . . 136 GLU HB3 . 6840 1 1461 . 1 1 136 136 GLU HG2 H 1 2.19 0.02 . 1 . . . . 136 GLU HG2 . 6840 1 1462 . 1 1 136 136 GLU HG3 H 1 2.19 0.02 . 1 . . . . 136 GLU HG3 . 6840 1 1463 . 1 1 136 136 GLU C C 13 176.3 0.2 . 1 . . . . 136 GLU C . 6840 1 1464 . 1 1 136 136 GLU CA C 13 56.2 0.2 . 1 . . . . 136 GLU CA . 6840 1 1465 . 1 1 136 136 GLU CB C 13 29.7 0.2 . 1 . . . . 136 GLU CB . 6840 1 1466 . 1 1 136 136 GLU N N 15 119.4 0.2 . 1 . . . . 136 GLU N . 6840 1 1467 . 1 1 137 137 GLY H H 1 8.01 0.02 . 1 . . . . 137 GLY HN . 6840 1 1468 . 1 1 137 137 GLY HA2 H 1 3.66 0.02 . 1 . . . . 137 GLY HA1 . 6840 1 1469 . 1 1 137 137 GLY HA3 H 1 4.15 0.02 . 1 . . . . 137 GLY HA2 . 6840 1 1470 . 1 1 137 137 GLY C C 13 173.8 0.2 . 1 . . . . 137 GLY C . 6840 1 1471 . 1 1 137 137 GLY CA C 13 45.1 0.2 . 1 . . . . 137 GLY CA . 6840 1 1472 . 1 1 137 137 GLY N N 15 106.5 0.2 . 1 . . . . 137 GLY N . 6840 1 1473 . 1 1 138 138 ASN H H 1 7.90 0.02 . 1 . . . . 138 ASN HN . 6840 1 1474 . 1 1 138 138 ASN HA H 1 4.81 0.02 . 1 . . . . 138 ASN HA . 6840 1 1475 . 1 1 138 138 ASN HB2 H 1 2.56 0.02 . 1 . . . . 138 ASN HB2 . 6840 1 1476 . 1 1 138 138 ASN HB3 H 1 2.70 0.02 . 1 . . . . 138 ASN HB3 . 6840 1 1477 . 1 1 138 138 ASN HD21 H 1 7.58 0.02 . 1 . . . . 138 ASN HD21 . 6840 1 1478 . 1 1 138 138 ASN HD22 H 1 6.94 0.02 . 1 . . . . 138 ASN HD22 . 6840 1 1479 . 1 1 138 138 ASN C C 13 175.2 0.2 . 1 . . . . 138 ASN C . 6840 1 1480 . 1 1 138 138 ASN CA C 13 52.7 0.2 . 1 . . . . 138 ASN CA . 6840 1 1481 . 1 1 138 138 ASN CB C 13 38.8 0.2 . 1 . . . . 138 ASN CB . 6840 1 1482 . 1 1 138 138 ASN N N 15 118.6 0.2 . 1 . . . . 138 ASN N . 6840 1 1483 . 1 1 138 138 ASN ND2 N 15 113.0 0.2 . 1 . . . . 138 ASN ND2 . 6840 1 1484 . 1 1 139 139 THR H H 1 8.88 0.02 . 1 . . . . 139 THR HN . 6840 1 1485 . 1 1 139 139 THR HA H 1 4.08 0.02 . 1 . . . . 139 THR HA . 6840 1 1486 . 1 1 139 139 THR HB H 1 4.03 0.02 . 1 . . . . 139 THR HB . 6840 1 1487 . 1 1 139 139 THR HG21 H 1 1.10 0.02 . 1 . . . . 139 THR QG2 . 6840 1 1488 . 1 1 139 139 THR HG22 H 1 1.10 0.02 . 1 . . . . 139 THR QG2 . 6840 1 1489 . 1 1 139 139 THR HG23 H 1 1.10 0.02 . 1 . . . . 139 THR QG2 . 6840 1 1490 . 1 1 139 139 THR C C 13 174.4 0.2 . 1 . . . . 139 THR C . 6840 1 1491 . 1 1 139 139 THR CA C 13 64.6 0.2 . 1 . . . . 139 THR CA . 6840 1 1492 . 1 1 139 139 THR CB C 13 71.3 0.2 . 1 . . . . 139 THR CB . 6840 1 1493 . 1 1 139 139 THR N N 15 121.5 0.2 . 1 . . . . 139 THR N . 6840 1 1494 . 1 1 140 140 ILE H H 1 9.21 0.02 . 1 . . . . 140 ILE HN . 6840 1 1495 . 1 1 140 140 ILE HA H 1 4.37 0.02 . 1 . . . . 140 ILE HA . 6840 1 1496 . 1 1 140 140 ILE HB H 1 1.86 0.02 . 1 . . . . 140 ILE HB . 6840 1 1497 . 1 1 140 140 ILE HG12 H 1 1.33 0.02 . 1 . . . . 140 ILE HG12 . 6840 1 1498 . 1 1 140 140 ILE HG13 H 1 1.37 0.02 . 1 . . . . 140 ILE HG13 . 6840 1 1499 . 1 1 140 140 ILE HG21 H 1 0.89 0.02 . 1 . . . . 140 ILE QG2 . 6840 1 1500 . 1 1 140 140 ILE HG22 H 1 0.89 0.02 . 1 . . . . 140 ILE QG2 . 6840 1 1501 . 1 1 140 140 ILE HG23 H 1 0.89 0.02 . 1 . . . . 140 ILE QG2 . 6840 1 1502 . 1 1 140 140 ILE HD11 H 1 0.78 0.02 . 1 . . . . 140 ILE QD1 . 6840 1 1503 . 1 1 140 140 ILE HD12 H 1 0.78 0.02 . 1 . . . . 140 ILE QD1 . 6840 1 1504 . 1 1 140 140 ILE HD13 H 1 0.78 0.02 . 1 . . . . 140 ILE QD1 . 6840 1 1505 . 1 1 140 140 ILE C C 13 175.1 0.2 . 1 . . . . 140 ILE C . 6840 1 1506 . 1 1 140 140 ILE CA C 13 60.4 0.2 . 1 . . . . 140 ILE CA . 6840 1 1507 . 1 1 140 140 ILE CB C 13 38.8 0.2 . 1 . . . . 140 ILE CB . 6840 1 1508 . 1 1 140 140 ILE N N 15 125.2 0.2 . 1 . . . . 140 ILE N . 6840 1 1509 . 1 1 141 141 LEU H H 1 7.61 0.02 . 1 . . . . 141 LEU HN . 6840 1 1510 . 1 1 141 141 LEU HA H 1 4.64 0.02 . 1 . . . . 141 LEU HA . 6840 1 1511 . 1 1 141 141 LEU HB2 H 1 1.28 0.02 . 2 . . . . 141 LEU HB2 . 6840 1 1512 . 1 1 141 141 LEU HB3 H 1 1.37 0.02 . 2 . . . . 141 LEU HB3 . 6840 1 1513 . 1 1 141 141 LEU HG H 1 1.39 0.02 . 1 . . . . 141 LEU HG . 6840 1 1514 . 1 1 141 141 LEU HD11 H 1 0.71 0.02 . 1 . . . . 141 LEU QD1 . 6840 1 1515 . 1 1 141 141 LEU HD12 H 1 0.71 0.02 . 1 . . . . 141 LEU QD1 . 6840 1 1516 . 1 1 141 141 LEU HD13 H 1 0.71 0.02 . 1 . . . . 141 LEU QD1 . 6840 1 1517 . 1 1 141 141 LEU HD21 H 1 0.71 0.02 . 1 . . . . 141 LEU QD2 . 6840 1 1518 . 1 1 141 141 LEU HD22 H 1 0.71 0.02 . 1 . . . . 141 LEU QD2 . 6840 1 1519 . 1 1 141 141 LEU HD23 H 1 0.71 0.02 . 1 . . . . 141 LEU QD2 . 6840 1 1520 . 1 1 141 141 LEU C C 13 173.7 0.2 . 1 . . . . 141 LEU C . 6840 1 1521 . 1 1 141 141 LEU CA C 13 54.1 0.2 . 1 . . . . 141 LEU CA . 6840 1 1522 . 1 1 141 141 LEU CB C 13 42.7 0.2 . 1 . . . . 141 LEU CB . 6840 1 1523 . 1 1 141 141 LEU N N 15 120.0 0.2 . 1 . . . . 141 LEU N . 6840 1 1524 . 1 1 142 142 GLN H H 1 7.81 0.02 . 1 . . . . 142 GLN HN . 6840 1 1525 . 1 1 142 142 GLN HA H 1 5.32 0.02 . 1 . . . . 142 GLN HA . 6840 1 1526 . 1 1 142 142 GLN HB2 H 1 2.12 0.02 . 1 . . . . 142 GLN HB2 . 6840 1 1527 . 1 1 142 142 GLN HB3 H 1 1.81 0.02 . 1 . . . . 142 GLN HB3 . 6840 1 1528 . 1 1 142 142 GLN HG2 H 1 2.39 0.02 . 1 . . . . 142 GLN HG2 . 6840 1 1529 . 1 1 142 142 GLN HG3 H 1 2.56 0.02 . 1 . . . . 142 GLN HG3 . 6840 1 1530 . 1 1 142 142 GLN HE21 H 1 8.13 0.02 . 1 . . . . 142 GLN HE21 . 6840 1 1531 . 1 1 142 142 GLN HE22 H 1 6.51 0.02 . 1 . . . . 142 GLN HE22 . 6840 1 1532 . 1 1 142 142 GLN C C 13 174.8 0.2 . 1 . . . . 142 GLN C . 6840 1 1533 . 1 1 142 142 GLN CA C 13 53.9 0.2 . 1 . . . . 142 GLN CA . 6840 1 1534 . 1 1 142 142 GLN CB C 13 32.0 0.2 . 1 . . . . 142 GLN CB . 6840 1 1535 . 1 1 142 142 GLN N N 15 119.2 0.2 . 1 . . . . 142 GLN N . 6840 1 1536 . 1 1 142 142 GLN NE2 N 15 111.5 0.2 . 1 . . . . 142 GLN NE2 . 6840 1 1537 . 1 1 143 143 THR H H 1 8.25 0.02 . 1 . . . . 143 THR HN . 6840 1 1538 . 1 1 143 143 THR HA H 1 4.09 0.02 . 1 . . . . 143 THR HA . 6840 1 1539 . 1 1 143 143 THR HB H 1 4.40 0.02 . 1 . . . . 143 THR HB . 6840 1 1540 . 1 1 143 143 THR HG1 H 1 5.97 0.02 . 1 . . . . 143 THR HG1 . 6840 1 1541 . 1 1 143 143 THR HG21 H 1 1.52 0.02 . 1 . . . . 143 THR QG2 . 6840 1 1542 . 1 1 143 143 THR HG22 H 1 1.52 0.02 . 1 . . . . 143 THR QG2 . 6840 1 1543 . 1 1 143 143 THR HG23 H 1 1.52 0.02 . 1 . . . . 143 THR QG2 . 6840 1 1544 . 1 1 143 143 THR CA C 13 61.8 0.2 . 1 . . . . 143 THR CA . 6840 1 1545 . 1 1 143 143 THR CB C 13 69.5 0.2 . 1 . . . . 143 THR CB . 6840 1 1546 . 1 1 143 143 THR N N 15 117.6 0.2 . 1 . . . . 143 THR N . 6840 1 1547 . 1 1 144 144 PRO HA H 1 4.30 0.02 . 1 . . . . 144 PRO HA . 6840 1 1548 . 1 1 144 144 PRO HB2 H 1 1.89 0.02 . 1 . . . . 144 PRO HB2 . 6840 1 1549 . 1 1 144 144 PRO HB3 H 1 2.19 0.02 . 1 . . . . 144 PRO HB3 . 6840 1 1550 . 1 1 144 144 PRO HG2 H 1 1.98 0.02 . 1 . . . . 144 PRO HG2 . 6840 1 1551 . 1 1 144 144 PRO HG3 H 1 1.98 0.02 . 1 . . . . 144 PRO HG3 . 6840 1 1552 . 1 1 144 144 PRO HD2 H 1 3.39 0.02 . 1 . . . . 144 PRO HD2 . 6840 1 1553 . 1 1 144 144 PRO HD3 H 1 3.85 0.02 . 1 . . . . 144 PRO HD3 . 6840 1 1554 . 1 1 144 144 PRO C C 13 174.1 0.2 . 1 . . . . 144 PRO C . 6840 1 1555 . 1 1 144 144 PRO CA C 13 62.9 0.2 . 1 . . . . 144 PRO CA . 6840 1 1556 . 1 1 144 144 PRO CB C 13 32.7 0.2 . 1 . . . . 144 PRO CB . 6840 1 1557 . 1 1 145 145 GLN H H 1 8.35 0.02 . 1 . . . . 145 GLN HN . 6840 1 1558 . 1 1 145 145 GLN HA H 1 3.92 0.02 . 1 . . . . 145 GLN HA . 6840 1 1559 . 1 1 145 145 GLN HB2 H 1 1.90 0.02 . 1 . . . . 145 GLN HB2 . 6840 1 1560 . 1 1 145 145 GLN HB3 H 1 1.90 0.02 . 1 . . . . 145 GLN HB3 . 6840 1 1561 . 1 1 145 145 GLN HG2 H 1 2.31 0.02 . 2 . . . . 145 GLN HG2 . 6840 1 1562 . 1 1 145 145 GLN HG3 H 1 2.37 0.02 . 2 . . . . 145 GLN HG3 . 6840 1 1563 . 1 1 145 145 GLN HE21 H 1 7.50 0.02 . 1 . . . . 145 GLN HE21 . 6840 1 1564 . 1 1 145 145 GLN HE22 H 1 6.78 0.02 . 1 . . . . 145 GLN HE22 . 6840 1 1565 . 1 1 145 145 GLN C C 13 176.5 0.2 . 1 . . . . 145 GLN C . 6840 1 1566 . 1 1 145 145 GLN CA C 13 57.5 0.2 . 1 . . . . 145 GLN CA . 6840 1 1567 . 1 1 145 145 GLN CB C 13 30.3 0.2 . 1 . . . . 145 GLN CB . 6840 1 1568 . 1 1 145 145 GLN N N 15 122.6 0.2 . 1 . . . . 145 GLN N . 6840 1 1569 . 1 1 145 145 GLN NE2 N 15 112.2 0.2 . 1 . . . . 145 GLN NE2 . 6840 1 1570 . 1 1 146 146 ASN H H 1 8.95 0.02 . 1 . . . . 146 ASN HN . 6840 1 1571 . 1 1 146 146 ASN HA H 1 4.26 0.02 . 1 . . . . 146 ASN HA . 6840 1 1572 . 1 1 146 146 ASN HB2 H 1 2.87 0.02 . 1 . . . . 146 ASN HB2 . 6840 1 1573 . 1 1 146 146 ASN HB3 H 1 2.87 0.02 . 1 . . . . 146 ASN HB3 . 6840 1 1574 . 1 1 146 146 ASN HD21 H 1 7.52 0.02 . 1 . . . . 146 ASN HD21 . 6840 1 1575 . 1 1 146 146 ASN HD22 H 1 6.81 0.02 . 1 . . . . 146 ASN HD22 . 6840 1 1576 . 1 1 146 146 ASN C C 13 173.8 0.2 . 1 . . . . 146 ASN C . 6840 1 1577 . 1 1 146 146 ASN CA C 13 54.0 0.2 . 1 . . . . 146 ASN CA . 6840 1 1578 . 1 1 146 146 ASN CB C 13 40.2 0.2 . 1 . . . . 146 ASN CB . 6840 1 1579 . 1 1 146 146 ASN N N 15 116.8 0.2 . 1 . . . . 146 ASN N . 6840 1 1580 . 1 1 146 146 ASN ND2 N 15 112.3 0.2 . 1 . . . . 146 ASN ND2 . 6840 1 1581 . 1 1 147 147 ALA H H 1 7.60 0.02 . 1 . . . . 147 ALA HN . 6840 1 1582 . 1 1 147 147 ALA HA H 1 3.93 0.02 . 1 . . . . 147 ALA HA . 6840 1 1583 . 1 1 147 147 ALA HB1 H 1 1.05 0.02 . 1 . . . . 147 ALA QB . 6840 1 1584 . 1 1 147 147 ALA HB2 H 1 1.05 0.02 . 1 . . . . 147 ALA QB . 6840 1 1585 . 1 1 147 147 ALA HB3 H 1 1.05 0.02 . 1 . . . . 147 ALA QB . 6840 1 1586 . 1 1 147 147 ALA C C 13 175.1 0.2 . 1 . . . . 147 ALA C . 6840 1 1587 . 1 1 147 147 ALA CA C 13 52.5 0.2 . 1 . . . . 147 ALA CA . 6840 1 1588 . 1 1 147 147 ALA CB C 13 18.1 0.2 . 1 . . . . 147 ALA CB . 6840 1 1589 . 1 1 147 147 ALA N N 15 121.9 0.2 . 1 . . . . 147 ALA N . 6840 1 1590 . 1 1 148 148 ILE H H 1 6.98 0.02 . 1 . . . . 148 ILE HN . 6840 1 1591 . 1 1 148 148 ILE HA H 1 3.97 0.02 . 1 . . . . 148 ILE HA . 6840 1 1592 . 1 1 148 148 ILE HB H 1 1.30 0.02 . 1 . . . . 148 ILE HB . 6840 1 1593 . 1 1 148 148 ILE HG12 H 1 0.83 0.02 . 1 . . . . 148 ILE HG12 . 6840 1 1594 . 1 1 148 148 ILE HG13 H 1 1.13 0.02 . 1 . . . . 148 ILE HG13 . 6840 1 1595 . 1 1 148 148 ILE HG21 H 1 0.35 0.02 . 1 . . . . 148 ILE QG2 . 6840 1 1596 . 1 1 148 148 ILE HG22 H 1 0.35 0.02 . 1 . . . . 148 ILE QG2 . 6840 1 1597 . 1 1 148 148 ILE HG23 H 1 0.35 0.02 . 1 . . . . 148 ILE QG2 . 6840 1 1598 . 1 1 148 148 ILE HD11 H 1 0.60 0.02 . 1 . . . . 148 ILE QD1 . 6840 1 1599 . 1 1 148 148 ILE HD12 H 1 0.60 0.02 . 1 . . . . 148 ILE QD1 . 6840 1 1600 . 1 1 148 148 ILE HD13 H 1 0.60 0.02 . 1 . . . . 148 ILE QD1 . 6840 1 1601 . 1 1 148 148 ILE C C 13 173.0 0.2 . 1 . . . . 148 ILE C . 6840 1 1602 . 1 1 148 148 ILE CA C 13 59.2 0.2 . 1 . . . . 148 ILE CA . 6840 1 1603 . 1 1 148 148 ILE CB C 13 39.9 0.2 . 1 . . . . 148 ILE CB . 6840 1 1604 . 1 1 148 148 ILE N N 15 122.9 0.2 . 1 . . . . 148 ILE N . 6840 1 1605 . 1 1 149 149 PHE H H 1 7.82 0.02 . 1 . . . . 149 PHE HN . 6840 1 1606 . 1 1 149 149 PHE HA H 1 4.20 0.02 . 1 . . . . 149 PHE HA . 6840 1 1607 . 1 1 149 149 PHE HB2 H 1 0.53 0.02 . 1 . . . . 149 PHE HB2 . 6840 1 1608 . 1 1 149 149 PHE HB3 H 1 2.30 0.02 . 1 . . . . 149 PHE HB3 . 6840 1 1609 . 1 1 149 149 PHE HD1 H 1 6.85 0.02 . 1 . . . . 149 PHE HD1 . 6840 1 1610 . 1 1 149 149 PHE HD2 H 1 6.85 0.02 . 1 . . . . 149 PHE HD2 . 6840 1 1611 . 1 1 149 149 PHE HE1 H 1 7.11 0.02 . 1 . . . . 149 PHE HE1 . 6840 1 1612 . 1 1 149 149 PHE HE2 H 1 7.11 0.02 . 1 . . . . 149 PHE HE2 . 6840 1 1613 . 1 1 149 149 PHE HZ H 1 7.11 0.02 . 1 . . . . 149 PHE HZ . 6840 1 1614 . 1 1 149 149 PHE C C 13 172.4 0.2 . 1 . . . . 149 PHE C . 6840 1 1615 . 1 1 149 149 PHE CA C 13 55.4 0.2 . 1 . . . . 149 PHE CA . 6840 1 1616 . 1 1 149 149 PHE CB C 13 41.2 0.2 . 1 . . . . 149 PHE CB . 6840 1 1617 . 1 1 149 149 PHE N N 15 123.8 0.2 . 1 . . . . 149 PHE N . 6840 1 1618 . 1 1 150 150 PHE H H 1 8.48 0.02 . 1 . . . . 150 PHE HN . 6840 1 1619 . 1 1 150 150 PHE HA H 1 5.74 0.02 . 1 . . . . 150 PHE HA . 6840 1 1620 . 1 1 150 150 PHE HB2 H 1 2.41 0.02 . 1 . . . . 150 PHE HB2 . 6840 1 1621 . 1 1 150 150 PHE HB3 H 1 2.77 0.02 . 1 . . . . 150 PHE HB3 . 6840 1 1622 . 1 1 150 150 PHE HD1 H 1 6.99 0.02 . 1 . . . . 150 PHE HD1 . 6840 1 1623 . 1 1 150 150 PHE HD2 H 1 6.99 0.02 . 1 . . . . 150 PHE HD2 . 6840 1 1624 . 1 1 150 150 PHE HE1 H 1 7.20 0.02 . 1 . . . . 150 PHE HE1 . 6840 1 1625 . 1 1 150 150 PHE HE2 H 1 7.20 0.02 . 1 . . . . 150 PHE HE2 . 6840 1 1626 . 1 1 150 150 PHE HZ H 1 7.09 0.02 . 1 . . . . 150 PHE HZ . 6840 1 1627 . 1 1 150 150 PHE C C 13 175.6 0.2 . 1 . . . . 150 PHE C . 6840 1 1628 . 1 1 150 150 PHE CA C 13 56.4 0.2 . 1 . . . . 150 PHE CA . 6840 1 1629 . 1 1 150 150 PHE CB C 13 43.1 0.2 . 1 . . . . 150 PHE CB . 6840 1 1630 . 1 1 150 150 PHE N N 15 113.8 0.2 . 1 . . . . 150 PHE N . 6840 1 1631 . 1 1 151 151 LYS H H 1 9.75 0.02 . 1 . . . . 151 LYS HN . 6840 1 1632 . 1 1 151 151 LYS HA H 1 4.77 0.02 . 1 . . . . 151 LYS HA . 6840 1 1633 . 1 1 151 151 LYS HB2 H 1 1.32 0.02 . 1 . . . . 151 LYS HB2 . 6840 1 1634 . 1 1 151 151 LYS HB3 H 1 2.22 0.02 . 1 . . . . 151 LYS HB3 . 6840 1 1635 . 1 1 151 151 LYS C C 13 173.4 0.2 . 1 . . . . 151 LYS C . 6840 1 1636 . 1 1 151 151 LYS CA C 13 53.7 0.2 . 1 . . . . 151 LYS CA . 6840 1 1637 . 1 1 151 151 LYS CB C 13 30.2 0.2 . 1 . . . . 151 LYS CB . 6840 1 1638 . 1 1 151 151 LYS N N 15 124.8 0.2 . 1 . . . . 151 LYS N . 6840 1 1639 . 1 1 152 152 THR H H 1 8.89 0.02 . 1 . . . . 152 THR HN . 6840 1 1640 . 1 1 152 152 THR HA H 1 4.45 0.02 . 1 . . . . 152 THR HA . 6840 1 1641 . 1 1 152 152 THR HB H 1 3.94 0.02 . 1 . . . . 152 THR HB . 6840 1 1642 . 1 1 152 152 THR HG21 H 1 1.13 0.02 . 1 . . . . 152 THR QG2 . 6840 1 1643 . 1 1 152 152 THR HG22 H 1 1.13 0.02 . 1 . . . . 152 THR QG2 . 6840 1 1644 . 1 1 152 152 THR HG23 H 1 1.13 0.02 . 1 . . . . 152 THR QG2 . 6840 1 1645 . 1 1 152 152 THR C C 13 174.0 0.2 . 1 . . . . 152 THR C . 6840 1 1646 . 1 1 152 152 THR CA C 13 64.2 0.2 . 1 . . . . 152 THR CA . 6840 1 1647 . 1 1 152 152 THR CB C 13 72.1 0.2 . 1 . . . . 152 THR CB . 6840 1 1648 . 1 1 152 152 THR N N 15 124.4 0.2 . 1 . . . . 152 THR N . 6840 1 1649 . 1 1 153 153 CYS H H 1 9.31 0.02 . 1 . . . . 153 CYS HN . 6840 1 1650 . 1 1 153 153 CYS HA H 1 5.33 0.02 . 1 . . . . 153 CYS HA . 6840 1 1651 . 1 1 153 153 CYS HB2 H 1 2.50 0.02 . 1 . . . . 153 CYS HB2 . 6840 1 1652 . 1 1 153 153 CYS HB3 H 1 3.55 0.02 . 1 . . . . 153 CYS HB3 . 6840 1 1653 . 1 1 153 153 CYS C C 13 173.2 0.2 . 1 . . . . 153 CYS C . 6840 1 1654 . 1 1 153 153 CYS CA C 13 52.3 0.2 . 1 . . . . 153 CYS CA . 6840 1 1655 . 1 1 153 153 CYS CB C 13 40.4 0.2 . 1 . . . . 153 CYS CB . 6840 1 1656 . 1 1 153 153 CYS N N 15 127.0 0.2 . 1 . . . . 153 CYS N . 6840 1 1657 . 1 1 154 154 LEU H H 1 8.59 0.02 . 1 . . . . 154 LEU HN . 6840 1 1658 . 1 1 154 154 LEU HA H 1 4.97 0.02 . 1 . . . . 154 LEU HA . 6840 1 1659 . 1 1 154 154 LEU HB2 H 1 1.46 0.02 . 2 . . . . 154 LEU HB2 . 6840 1 1660 . 1 1 154 154 LEU HB3 H 1 1.59 0.02 . 2 . . . . 154 LEU HB3 . 6840 1 1661 . 1 1 154 154 LEU HG H 1 1.52 0.02 . 1 . . . . 154 LEU HG . 6840 1 1662 . 1 1 154 154 LEU HD11 H 1 0.89 0.02 . 1 . . . . 154 LEU QD1 . 6840 1 1663 . 1 1 154 154 LEU HD12 H 1 0.89 0.02 . 1 . . . . 154 LEU QD1 . 6840 1 1664 . 1 1 154 154 LEU HD13 H 1 0.89 0.02 . 1 . . . . 154 LEU QD1 . 6840 1 1665 . 1 1 154 154 LEU HD21 H 1 0.89 0.02 . 1 . . . . 154 LEU QD2 . 6840 1 1666 . 1 1 154 154 LEU HD22 H 1 0.89 0.02 . 1 . . . . 154 LEU QD2 . 6840 1 1667 . 1 1 154 154 LEU HD23 H 1 0.89 0.02 . 1 . . . . 154 LEU QD2 . 6840 1 1668 . 1 1 154 154 LEU C C 13 177.3 0.2 . 1 . . . . 154 LEU C . 6840 1 1669 . 1 1 154 154 LEU CA C 13 53.4 0.2 . 1 . . . . 154 LEU CA . 6840 1 1670 . 1 1 154 154 LEU CB C 13 45.6 0.2 . 1 . . . . 154 LEU CB . 6840 1 1671 . 1 1 154 154 LEU N N 15 122.5 0.2 . 1 . . . . 154 LEU N . 6840 1 1672 . 1 1 155 155 GLN H H 1 9.14 0.02 . 1 . . . . 155 GLN HN . 6840 1 1673 . 1 1 155 155 GLN HA H 1 3.66 0.02 . 1 . . . . 155 GLN HA . 6840 1 1674 . 1 1 155 155 GLN HB2 H 1 1.76 0.02 . 1 . . . . 155 GLN HB2 . 6840 1 1675 . 1 1 155 155 GLN HB3 H 1 1.86 0.02 . 1 . . . . 155 GLN HB3 . 6840 1 1676 . 1 1 155 155 GLN HG2 H 1 2.16 0.02 . 2 . . . . 155 GLN HG2 . 6840 1 1677 . 1 1 155 155 GLN HG3 H 1 2.22 0.02 . 2 . . . . 155 GLN HG3 . 6840 1 1678 . 1 1 155 155 GLN HE21 H 1 7.44 0.02 . 1 . . . . 155 GLN HE21 . 6840 1 1679 . 1 1 155 155 GLN HE22 H 1 6.64 0.02 . 1 . . . . 155 GLN HE22 . 6840 1 1680 . 1 1 155 155 GLN C C 13 175.0 0.2 . 1 . . . . 155 GLN C . 6840 1 1681 . 1 1 155 155 GLN CA C 13 56.9 0.2 . 1 . . . . 155 GLN CA . 6840 1 1682 . 1 1 155 155 GLN CB C 13 29.0 0.2 . 1 . . . . 155 GLN CB . 6840 1 1683 . 1 1 155 155 GLN N N 15 123.7 0.2 . 1 . . . . 155 GLN N . 6840 1 1684 . 1 1 155 155 GLN NE2 N 15 111.2 0.2 . 1 . . . . 155 GLN NE2 . 6840 1 1685 . 1 1 156 156 ALA H H 1 8.61 0.02 . 1 . . . . 156 ALA HN . 6840 1 1686 . 1 1 156 156 ALA HA H 1 4.33 0.02 . 1 . . . . 156 ALA HA . 6840 1 1687 . 1 1 156 156 ALA HB1 H 1 1.36 0.02 . 1 . . . . 156 ALA QB . 6840 1 1688 . 1 1 156 156 ALA HB2 H 1 1.36 0.02 . 1 . . . . 156 ALA QB . 6840 1 1689 . 1 1 156 156 ALA HB3 H 1 1.36 0.02 . 1 . . . . 156 ALA QB . 6840 1 1690 . 1 1 156 156 ALA C C 13 176.0 0.2 . 1 . . . . 156 ALA C . 6840 1 1691 . 1 1 156 156 ALA CA C 13 52.3 0.2 . 1 . . . . 156 ALA CA . 6840 1 1692 . 1 1 156 156 ALA CB C 13 19.7 0.2 . 1 . . . . 156 ALA CB . 6840 1 1693 . 1 1 156 156 ALA N N 15 126.6 0.2 . 1 . . . . 156 ALA N . 6840 1 1694 . 1 1 157 157 GLU H H 1 7.91 0.02 . 1 . . . . 157 GLU HN . 6840 1 1695 . 1 1 157 157 GLU HA H 1 4.05 0.02 . 1 . . . . 157 GLU HA . 6840 1 1696 . 1 1 157 157 GLU HB2 H 1 1.84 0.02 . 1 . . . . 157 GLU HB2 . 6840 1 1697 . 1 1 157 157 GLU HB3 H 1 1.98 0.02 . 1 . . . . 157 GLU HB3 . 6840 1 1698 . 1 1 157 157 GLU HG2 H 1 2.16 0.02 . 1 . . . . 157 GLU HG2 . 6840 1 1699 . 1 1 157 157 GLU HG3 H 1 2.16 0.02 . 1 . . . . 157 GLU HG3 . 6840 1 1700 . 1 1 157 157 GLU CA C 13 58.0 0.2 . 1 . . . . 157 GLU CA . 6840 1 1701 . 1 1 157 157 GLU CB C 13 31.0 0.2 . 1 . . . . 157 GLU CB . 6840 1 1702 . 1 1 157 157 GLU N N 15 125.7 0.2 . 1 . . . . 157 GLU N . 6840 1 stop_ save_